#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubk s SER 20 N 0.00 1.04 0.17 -3.46 1.04 -1.26 -5.03 113.70 106.19 1ubk s SER 20 Ca 0.00 -1.03 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 1ubk s SER 20 Cb 0.00 0.12 -0.07 0.00 0.10 0.00 0.00 66.02 66.17 1ubk s SER 20 CO 0.00 -0.50 1.00 -0.47 0.98 0.00 0.00 173.24 174.25 1ubk s TYR 21 N -3.68 3.78 -0.08 5.02 5.04 -1.26 -4.47 117.35 121.70 1ubk s TYR 21 Ca 0.13 1.76 0.03 0.00 -2.44 0.00 0.00 57.07 56.55 1ubk s TYR 21 Cb 0.06 -3.11 0.01 0.00 0.35 0.00 0.00 41.96 39.27 1ubk s TYR 21 CO -0.04 -0.01 -0.15 -1.12 -1.34 0.00 0.00 175.55 172.89 1ubk s SER 22 N -0.33 2.19 0.00 4.32 0.01 -1.26 -0.55 113.70 118.08 1ubk s SER 22 Ca 0.46 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1ubk s SER 22 Cb -0.26 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 64.97 1ubk s SER 22 CO 0.32 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1ubk n GLY 23 N 3.81 -0.30 3.87 3.44 0.00 -0.45 -4.98 105.19 110.57 1ubk n GLY 23 Ca -0.21 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1ubk n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubk s PRO 24 N -1.75 3.78 -0.02 1.61 0.04 -1.26 -0.34 135.00 137.07 1ubk s PRO 24 Ca 0.00 0.58 0.02 0.00 0.04 0.00 0.00 61.00 61.64 1ubk s PRO 24 Cb 0.00 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ubk s PRO 24 CO 0.00 -0.15 -0.07 0.42 0.04 0.00 0.00 177.00 177.25 1ubk s ILE 25 N -2.53 0.57 -0.05 0.56 1.01 -0.23 -4.92 121.20 115.61 1ubk s ILE 25 Ca 0.53 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.98 1ubk s ILE 25 Cb -0.10 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 1ubk s ILE 25 CO 0.34 0.18 -0.24 -0.69 0.00 0.00 0.00 174.94 174.53 1ubk s VAL 26 N 0.10 1.95 -0.31 2.92 1.01 -1.26 -0.75 120.40 124.05 1ubk s VAL 26 Ca -0.01 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1ubk s VAL 26 Cb -0.06 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.76 1ubk s VAL 26 CO -0.00 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.95 1ubk s VAL 27 N -0.19 2.26 -0.26 2.92 1.01 0.10 -5.00 120.40 121.24 1ubk s VAL 27 Ca -0.02 -2.07 -0.01 0.00 0.00 0.00 0.00 61.98 59.88 1ubk s VAL 27 Cb -0.13 -2.54 0.14 0.00 0.00 0.00 0.00 36.38 33.85 1ubk s VAL 27 CO 0.03 -0.38 0.36 -0.62 0.00 0.00 0.00 175.10 174.48 1ubk s ASP 28 N 0.99 0.62 0.31 3.32 3.68 -1.26 -1.12 116.67 123.21 1ubk s ASP 28 Ca 0.03 -0.14 -0.23 0.00 2.13 0.00 0.00 52.55 54.35 1ubk s ASP 28 Cb -0.19 0.95 -0.09 0.00 -1.45 0.00 0.00 42.92 42.13 1ubk s ASP 28 CO -0.07 -0.33 0.87 -2.16 0.13 0.00 0.00 175.17 173.61 1ubk s PRO 29 N 2.50 4.41 -0.36 4.34 0.04 -1.26 -5.08 135.00 139.59 1ubk s PRO 29 Ca 0.11 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 1ubk s PRO 29 Cb -0.14 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.68 1ubk s PRO 29 CO -0.22 0.27 1.30 0.08 0.04 0.00 0.00 177.00 178.47 1ubk s VAL 30 N -1.68 4.09 0.70 -0.36 1.01 -0.32 -5.02 120.40 118.83 1ubk s VAL 30 Ca 0.50 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 1ubk s VAL 30 Cb -0.16 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 32.07 1ubk s VAL 30 CO 0.21 -0.64 0.98 0.42 0.00 0.00 0.00 175.10 176.08 1ubk s THR 31 N 4.68 2.26 -1.39 3.92 -4.23 -1.26 -4.44 115.64 115.18 1ubk s THR 31 Ca 0.56 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.48 1ubk s THR 31 Cb -0.14 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 70.97 1ubk s THR 31 CO 0.27 0.00 1.09 0.54 -0.54 0.00 0.00 174.62 175.98 1ubk n ARG 32 N -2.83 -7.07 -4.21 3.99 1.74 -1.26 -5.00 116.66 102.02 1ubk n ARG 32 Ca 0.12 0.76 -0.13 0.00 -0.77 0.00 0.00 57.85 57.83 1ubk n ARG 32 Cb 0.60 -5.75 -0.10 0.00 -1.02 0.00 0.00 32.46 26.20 1ubk n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1ubk s ILE 33 N -3.34 0.01 0.04 0.55 -4.36 -1.26 -4.74 121.20 108.10 1ubk s ILE 33 Ca 0.52 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.66 1ubk s ILE 33 Cb -0.24 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.91 1ubk s ILE 33 CO 0.76 0.00 0.76 -0.70 0.24 0.00 0.00 174.94 176.00 1ubk s GLU 34 N -4.07 4.49 0.80 0.37 -6.30 -1.08 -4.98 118.70 107.92 1ubk s GLU 34 Ca 0.39 1.05 0.00 0.00 -2.50 0.00 0.00 54.97 53.91 1ubk s GLU 34 Cb 0.06 -3.37 0.00 0.00 0.00 0.00 0.00 34.13 30.83 1ubk s GLU 34 CO 0.14 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1ubk n GLY 35 N 2.44 -1.95 3.14 -1.50 0.00 -1.26 -0.88 105.19 105.18 1ubk n GLY 35 Ca -0.02 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 1ubk n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubk s HIS 36 N 0.00 3.54 -0.04 1.61 3.76 -1.26 -4.84 115.29 118.06 1ubk s HIS 36 Ca 0.00 -2.29 0.06 0.00 -0.15 0.00 0.00 55.06 52.68 1ubk s HIS 36 Cb 0.00 -3.16 -0.01 0.00 1.11 0.00 0.00 32.58 30.52 1ubk s HIS 36 CO 0.00 -0.96 -0.23 -1.17 -0.85 0.00 0.00 174.74 171.54 1ubk s LEU 37 N 1.18 2.03 -0.20 0.89 2.96 -1.26 -1.25 118.68 123.03 1ubk s LEU 37 Ca 0.07 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1ubk s LEU 37 Cb -0.23 -1.23 0.00 0.00 0.50 0.00 0.00 46.19 45.24 1ubk s LEU 37 CO -0.03 0.24 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.51 1ubk s ARG 38 N -0.23 3.20 -0.17 1.98 3.52 0.24 -1.18 118.95 126.31 1ubk s ARG 38 Ca 0.00 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.82 1ubk s ARG 38 Cb -0.12 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1ubk s ARG 38 CO 0.02 -0.18 0.01 0.42 -0.81 0.00 0.00 175.30 174.76 1ubk s ILE 39 N 1.33 4.26 -0.08 4.11 -1.09 -0.27 -0.79 121.20 128.67 1ubk s ILE 39 Ca 0.04 -0.22 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 1ubk s ILE 39 Cb -0.14 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.84 1ubk s ILE 39 CO -0.07 0.47 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.29 1ubk s GLU 40 N 0.42 2.86 0.13 2.79 2.02 -0.77 -0.73 118.70 125.42 1ubk s GLU 40 Ca -0.01 -0.83 0.05 0.00 0.02 0.00 0.00 54.97 54.20 1ubk s GLU 40 Cb -0.13 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1ubk s GLU 40 CO 0.02 0.32 -0.11 0.14 0.02 0.00 0.00 175.26 175.64 1ubk s VAL 41 N 0.02 1.16 -0.16 2.63 -7.23 0.07 -0.62 120.40 116.27 1ubk s VAL 41 Ca -0.08 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1ubk s VAL 41 Cb -0.15 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 1ubk s VAL 41 CO 0.05 -0.59 -0.01 -1.61 -0.31 0.00 0.00 175.10 172.64 1ubk s GLU 42 N -3.13 3.70 0.07 4.82 2.02 -0.56 -1.07 118.70 124.55 1ubk s GLU 42 Ca 0.11 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.73 1ubk s GLU 42 Cb -0.01 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 1ubk s GLU 42 CO 0.01 0.29 -0.24 0.54 0.02 0.00 0.00 175.26 175.88 1ubk s VAL 43 N 0.25 1.99 -0.11 2.63 0.11 0.54 -0.28 120.40 125.51 1ubk s VAL 43 Ca -0.01 -1.43 -0.00 0.00 -2.93 0.00 0.00 61.98 57.61 1ubk s VAL 43 Cb -0.13 -1.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.01 1ubk s VAL 43 CO 0.02 0.21 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.22 1ubk s GLU 44 N -1.47 1.61 -1.50 1.54 2.12 0.60 -1.34 118.70 120.25 1ubk s GLU 44 Ca 0.10 -0.29 -0.11 0.00 0.36 0.00 0.00 54.97 55.04 1ubk s GLU 44 Cb -0.10 -1.63 0.07 0.00 0.26 0.00 0.00 34.13 32.73 1ubk s GLU 44 CO 0.03 -0.25 0.88 0.09 -0.54 0.00 0.00 175.26 175.46 1ubk n ASN 45 N 4.89 -3.68 0.00 -1.70 3.02 -1.06 -1.64 115.26 115.10 1ubk n ASN 45 Ca -0.13 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1ubk n ASN 45 Cb 0.50 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1ubk n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ubk n GLY 46 N -1.66 1.00 3.14 7.41 0.00 0.29 -4.76 105.19 110.60 1ubk n GLY 46 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1ubk n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubk s LYS 47 N -0.36 1.42 0.15 1.61 1.02 -0.65 -0.32 119.74 122.62 1ubk s LYS 47 Ca 0.00 -0.59 -0.31 0.00 0.02 0.00 0.00 55.97 55.09 1ubk s LYS 47 Cb 0.00 -1.34 -0.09 0.00 -0.52 0.00 0.00 37.83 35.88 1ubk s LYS 47 CO 0.00 0.33 1.50 0.08 -0.92 0.00 0.00 175.35 176.33 1ubk s VAL 48 N -0.28 2.86 -0.02 3.17 1.01 0.21 -0.29 120.40 127.06 1ubk s VAL 48 Ca 0.04 0.63 0.15 0.00 0.00 0.00 0.00 61.98 62.79 1ubk s VAL 48 Cb -0.08 -3.40 -0.23 0.00 0.00 0.00 0.00 36.38 32.67 1ubk s VAL 48 CO -0.00 0.05 0.32 1.17 0.00 0.00 0.00 175.10 176.65 1ubk n LYS 49 N 3.87 0.45 -3.53 2.72 4.81 0.62 -0.49 118.16 126.61 1ubk n LYS 49 Ca 0.13 -0.14 -0.16 0.00 -0.87 0.00 0.00 58.31 57.27 1ubk n LYS 49 Cb 0.40 -1.35 -0.06 0.00 0.02 0.00 0.00 35.03 34.04 1ubk n LYS 49 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1ubk s ASN 50 N -3.71 -0.57 -0.04 3.14 3.04 -1.17 -4.95 114.94 110.67 1ubk s ASN 50 Ca -0.05 0.61 -0.14 0.00 0.04 0.00 0.00 52.86 53.32 1ubk s ASN 50 Cb 0.09 0.47 0.02 0.00 -1.54 0.00 0.00 41.25 40.30 1ubk s ASN 50 CO 0.62 -0.54 0.30 0.00 -3.04 0.00 0.00 177.10 174.44 1ubk s ALA 51 N -1.25 -0.77 -0.04 1.71 0.00 -1.26 -1.49 121.76 118.67 1ubk s ALA 51 Ca -0.08 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.35 1ubk s ALA 51 Cb -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1ubk s ALA 51 CO 0.07 -0.23 -0.07 0.71 0.00 0.00 0.00 175.76 176.23 1ubk s TYR 52 N -0.96 0.91 -0.44 0.00 2.02 0.21 -4.89 117.35 114.20 1ubk s TYR 52 Ca -0.10 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 1ubk s TYR 52 Cb -0.05 -0.70 0.08 0.00 -0.40 0.00 0.00 41.96 40.89 1ubk s TYR 52 CO 0.03 -0.16 0.31 0.45 -1.57 0.00 0.00 175.55 174.62 1ubk s SER 53 N 0.53 5.83 -0.30 2.29 0.15 -1.26 -1.84 113.70 119.10 1ubk s SER 53 Ca -0.08 -1.45 -0.04 0.00 0.70 0.00 0.00 55.95 55.07 1ubk s SER 53 Cb -0.12 -2.06 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 1ubk s SER 53 CO 0.01 -0.59 0.04 -0.55 1.20 0.00 0.00 173.24 173.35 1ubk s SER 54 N 2.33 4.94 -0.20 5.45 0.15 0.03 -4.48 113.70 121.91 1ubk s SER 54 Ca 0.03 -0.98 -0.16 0.00 0.70 0.00 0.00 55.95 55.55 1ubk s SER 54 Cb -0.24 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1ubk s SER 54 CO 0.04 -0.23 0.39 -0.44 1.20 0.00 0.00 173.24 174.20 1ubk s SER 55 N 1.38 6.43 -0.11 5.45 0.01 -1.26 -0.59 113.70 125.01 1ubk s SER 55 Ca -0.01 0.50 0.14 0.00 1.31 0.00 0.00 55.95 57.90 1ubk s SER 55 Cb -0.18 -2.23 0.35 0.00 0.21 0.00 0.00 66.02 64.17 1ubk s SER 55 CO 0.00 -0.08 1.26 0.35 0.41 0.00 0.00 173.24 175.18 1ubk n THR 56 N 4.36 1.76 -4.53 1.44 -2.24 -0.38 -1.58 114.28 113.11 1ubk n THR 56 Ca -0.08 -1.70 -0.22 0.00 -2.27 0.00 0.00 64.05 59.77 1ubk n THR 56 Cb 0.51 -0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 1ubk n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ubk s LEU 57 N -2.25 1.83 -0.02 3.22 2.96 -1.26 -5.04 118.68 118.11 1ubk s LEU 57 Ca 0.30 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1ubk s LEU 57 Cb 0.24 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 1ubk s LEU 57 CO 0.07 0.09 -0.24 0.12 -1.32 0.00 0.00 176.35 175.08 1ubk s PHE 58 N 0.14 2.13 -0.06 5.38 5.36 -1.26 -4.85 117.98 124.82 1ubk s PHE 58 Ca -0.03 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 1ubk s PHE 58 Cb -0.09 -1.37 -0.04 0.00 -0.34 0.00 0.00 43.02 41.18 1ubk s PHE 58 CO 0.01 -0.04 -0.05 0.54 -1.46 0.00 0.00 175.22 174.22 1ubk n ARG 59 N 2.51 0.15 -1.71 10.12 1.74 -0.57 -5.08 116.66 123.81 1ubk n ARG 59 Ca -0.16 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1ubk n ARG 59 Cb 0.52 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1ubk n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubk n GLY 60 N 3.19 0.95 0.27 -0.13 0.00 -0.83 -4.97 105.19 103.68 1ubk n GLY 60 Ca -0.11 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.47 1ubk n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubk h LEU 61 N 0.00 0.15 -0.96 0.99 3.38 -1.91 -1.30 115.31 115.66 1ubk h LEU 61 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1ubk h LEU 61 Cb 0.71 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ubk h LEU 61 CO 0.00 0.15 -0.04 -0.33 0.09 0.00 0.00 178.44 178.31 1ubk h GLU 62 N 0.17 0.72 -0.27 1.13 5.08 -1.93 -1.31 114.58 118.17 1ubk h GLU 62 Ca 0.04 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1ubk h GLU 62 Cb 0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1ubk h GLU 62 CO -0.00 0.76 -0.10 0.82 -1.00 0.00 0.00 179.01 179.49 1ubk h ILE 63 N 0.67 1.29 -0.33 3.13 2.04 -1.60 -3.11 117.51 119.61 1ubk h ILE 63 Ca 0.13 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1ubk h ILE 63 Cb 0.47 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1ubk h ILE 63 CO 0.02 0.36 0.10 0.40 0.00 0.00 0.00 178.15 179.03 1ubk h ILE 64 N 0.28 1.15 0.00 -0.67 2.04 -1.03 -2.61 117.51 116.67 1ubk h ILE 64 Ca 0.06 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ubk h ILE 64 Cb 0.59 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1ubk h ILE 64 CO 0.03 0.18 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 1ubk h LEU 65 N 0.46 0.00 -9.67 1.44 3.38 -1.17 -3.46 115.31 106.30 1ubk h LEU 65 Ca 0.11 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.53 1ubk h LEU 65 Cb 0.15 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.98 1ubk h LEU 65 CO -0.01 0.00 0.82 1.17 0.09 0.00 0.00 178.44 180.52 1ubk n LYS 66 N -3.02 2.45 -0.05 1.13 4.81 -0.99 -1.83 118.16 120.66 1ubk n LYS 66 Ca 0.01 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1ubk n LYS 66 Cb 0.34 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1ubk n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ubk n GLY 67 N 2.72 1.28 3.97 3.14 0.00 0.77 -4.96 105.19 112.11 1ubk n GLY 67 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1ubk n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubk s ARG 68 N -0.55 1.95 0.04 1.61 0.52 -0.76 -4.52 118.95 117.25 1ubk s ARG 68 Ca 0.00 -0.75 -0.30 0.00 -0.52 0.00 0.00 55.73 54.15 1ubk s ARG 68 Cb 0.00 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 33.11 1ubk s ARG 68 CO 0.00 -1.28 1.53 0.34 0.02 0.00 0.00 175.30 175.91 1ubk s ASP 69 N -4.61 6.72 0.52 0.23 -1.08 -1.26 -0.74 116.67 116.44 1ubk s ASP 69 Ca 0.63 2.32 0.24 0.00 -0.52 0.00 0.00 52.55 55.21 1ubk s ASP 69 Cb -0.08 -2.56 1.34 0.00 -1.46 0.00 0.00 42.92 40.16 1ubk s ASP 69 CO 0.43 -0.80 1.99 -0.65 0.52 0.00 0.00 175.17 176.67 1ubk h PRO 70 N 8.01 0.05 0.00 4.34 0.11 -1.90 0.68 132.00 143.29 1ubk h PRO 70 Ca -0.40 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1ubk h PRO 70 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ubk h PRO 70 CO 0.91 0.04 -0.04 0.00 -0.21 0.00 0.00 178.00 178.70 1ubk h ARG 71 N 0.06 0.00 0.00 1.05 3.08 -1.95 -2.42 114.38 114.20 1ubk h ARG 71 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1ubk h ARG 71 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1ubk h ARG 71 CO -0.02 0.04 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.44 1ubk h ASP 72 N 0.00 0.00 -0.53 7.04 3.32 -1.24 -3.38 116.42 121.64 1ubk h ASP 72 Ca -0.00 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.12 1ubk h ASP 72 Cb 0.25 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 1ubk h ASP 72 CO 0.00 0.00 0.19 0.00 -1.72 0.00 0.00 179.24 177.72 1ubk h ALA 73 N 2.33 0.65 0.00 3.45 0.00 -1.48 -1.79 119.26 122.42 1ubk h ALA 73 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ubk h ALA 73 Cb 0.84 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ubk h ALA 73 CO 0.00 -0.21 -0.10 -0.56 0.00 0.00 0.00 179.25 178.38 1ubk h GLN 74 N 0.36 0.00 -0.21 0.00 3.07 -1.79 0.23 115.11 116.77 1ubk h GLN 74 Ca 0.26 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.79 1ubk h GLN 74 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.85 1ubk h GLN 74 CO -0.26 0.10 -0.68 0.45 0.09 0.00 0.00 178.83 178.52 1ubk h HIS 75 N 0.00 1.09 -0.04 0.06 3.86 -1.60 -1.03 115.15 117.49 1ubk h HIS 75 Ca -0.00 -0.45 -0.01 0.00 -1.16 0.00 0.00 60.37 58.75 1ubk h HIS 75 Cb 0.19 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ubk h HIS 75 CO 0.00 1.28 -0.02 0.74 0.86 0.00 0.00 177.93 180.79 1ubk h PHE 76 N 0.60 0.10 0.00 2.45 -1.00 -1.26 -3.31 116.94 114.51 1ubk h PHE 76 Ca -0.03 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1ubk h PHE 76 Cb 1.31 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.84 1ubk h PHE 76 CO 0.08 0.49 -0.14 1.79 -1.61 0.00 0.00 178.31 178.92 1ubk h THR 77 N -0.33 0.34 -0.02 -1.55 1.35 -0.57 -1.53 112.91 110.60 1ubk h THR 77 Ca 0.01 -0.97 -0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1ubk h THR 77 Cb 0.47 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1ubk h THR 77 CO 0.01 0.14 -0.00 -0.61 -0.25 0.00 0.00 175.52 174.80 1ubk h GLN 78 N 0.00 0.02 0.00 4.72 4.15 -1.27 0.13 115.11 122.86 1ubk h GLN 78 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ubk h GLN 78 Cb 0.73 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1ubk h GLN 78 CO 0.02 0.03 0.00 0.54 -1.93 0.00 0.00 178.83 177.49 1ubk n ARG 79 N -4.52 0.97 -0.26 1.69 3.00 -0.57 -2.49 116.66 114.47 1ubk n ARG 79 Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.89 1ubk n ARG 79 Cb 0.10 -1.04 0.32 0.00 0.00 0.00 0.00 32.46 31.84 1ubk n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1ubk h THR 80 N 0.00 0.97 -1.78 0.55 2.02 -0.81 -3.44 112.91 110.41 1ubk h THR 80 Ca 0.00 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 66.94 1ubk h THR 80 Cb 0.00 0.06 -0.24 0.00 -1.74 0.00 0.00 68.15 66.23 1ubk h THR 80 CO 0.00 0.15 0.22 0.00 0.37 0.00 0.00 175.52 176.26 1ubk n GLY 82 N 3.65 -0.21 0.05 0.00 0.00 -1.26 -3.17 105.19 104.25 1ubk n GLY 82 Ca -0.18 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 1ubk n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ubk h VAL 83 N 1.89 0.00 -0.39 1.61 2.07 -1.95 -3.30 116.25 116.18 1ubk h VAL 83 Ca 0.00 -0.89 -0.39 0.00 0.82 0.00 0.00 66.70 66.25 1ubk h VAL 83 Cb 0.69 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1ubk h VAL 83 CO 0.00 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.22 1ubk n THR 85 N 2.13 0.00 0.00 0.00 5.66 -1.19 -3.08 114.28 117.80 1ubk n THR 85 Ca 0.51 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 1ubk n THR 85 Cb 0.67 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 1ubk n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ubk n TYR 86 N -4.40 0.00 -0.34 1.09 -0.00 -1.26 -4.73 117.16 107.52 1ubk n TYR 86 Ca 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.06 1ubk n TYR 86 Cb 0.53 0.00 0.25 0.00 -0.00 0.00 0.00 39.34 40.13 1ubk n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1ubk h THR 87 N 0.00 0.82 0.00 2.97 1.35 -1.90 0.71 112.91 116.86 1ubk h THR 87 Ca 0.00 -0.29 -0.19 0.00 -0.55 0.00 0.00 66.41 65.38 1ubk h THR 87 Cb 0.00 -0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 66.30 1ubk h THR 87 CO 0.00 0.15 -0.90 0.45 -0.25 0.00 0.00 175.52 174.97 1ubk h HIS 88 N 0.84 0.00 -0.78 4.73 3.86 -1.85 -0.18 115.15 121.77 1ubk h HIS 88 Ca 0.51 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.69 1ubk h HIS 88 Cb 0.63 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.06 1ubk h HIS 88 CO -0.03 0.90 0.38 0.00 0.86 0.00 0.00 177.93 180.05 1ubk h ALA 89 N 1.10 1.00 -0.38 2.45 0.00 -1.37 0.14 119.26 122.20 1ubk h ALA 89 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1ubk h ALA 89 Cb 1.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1ubk h ALA 89 CO 0.12 0.56 -0.06 1.25 0.00 0.00 0.00 179.25 181.12 1ubk h LEU 90 N 1.10 0.71 -0.63 0.00 5.85 -0.74 -0.40 115.31 121.20 1ubk h LEU 90 Ca 0.27 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1ubk h LEU 90 Cb 0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ubk h LEU 90 CO -0.04 0.89 0.09 0.00 -0.34 0.00 0.00 178.44 179.04 1ubk h ALA 91 N 0.85 0.84 -0.43 1.25 0.00 -0.82 0.16 119.26 121.10 1ubk h ALA 91 Ca 0.10 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1ubk h ALA 91 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ubk h ALA 91 CO 0.03 0.61 -0.18 0.77 0.00 0.00 0.00 179.25 180.48 1ubk h SER 92 N 0.96 0.84 -0.38 0.00 0.02 -0.89 -0.21 113.55 113.89 1ubk h SER 92 Ca 0.19 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 1ubk h SER 92 Cb 0.45 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1ubk h SER 92 CO 0.02 1.01 -0.17 0.74 -1.14 0.00 0.00 176.83 177.28 1ubk h THR 93 N 0.74 1.28 -0.79 -2.27 2.02 -0.83 0.15 112.91 113.22 1ubk h THR 93 Ca 0.11 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 65.99 1ubk h THR 93 Cb 0.70 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 1ubk h THR 93 CO 0.05 0.43 0.51 0.03 0.37 0.00 0.00 175.52 176.92 1ubk h ARG 94 N 0.59 1.04 -0.17 6.66 3.08 -0.55 0.33 114.38 125.36 1ubk h ARG 94 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1ubk h ARG 94 Cb 0.72 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1ubk h ARG 94 CO 0.05 0.70 0.05 0.00 -1.07 0.00 0.00 179.97 179.70 1ubk h VAL 96 N 0.09 1.32 -0.68 0.00 2.07 -0.74 -0.81 116.25 117.49 1ubk h VAL 96 Ca 0.05 -2.17 0.15 0.00 0.82 0.00 0.00 66.70 65.55 1ubk h VAL 96 Cb 0.24 2.20 -0.11 0.00 -1.52 0.00 0.00 31.29 32.10 1ubk h VAL 96 CO -0.00 0.67 0.08 0.44 0.02 0.00 0.00 177.57 178.78 1ubk h ASP 97 N 0.40 -0.15 -0.39 0.57 3.45 -0.29 -0.87 116.42 119.13 1ubk h ASP 97 Ca -0.08 0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.48 1ubk h ASP 97 Cb 1.51 0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 40.51 1ubk h ASP 97 CO 0.17 -0.09 0.03 -1.13 -1.57 0.00 0.00 179.24 176.65 1ubk h ASN 98 N 0.18 0.65 -0.82 6.45 -0.73 -0.85 -0.91 115.58 119.54 1ubk h ASN 98 Ca 0.37 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1ubk h ASN 98 Cb 0.63 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 39.00 1ubk h ASN 98 CO -0.53 0.77 0.53 0.00 -0.37 0.00 0.00 177.43 177.83 1ubk h ALA 99 N 0.90 1.39 -0.00 1.57 0.00 -0.55 -2.62 119.26 119.95 1ubk h ALA 99 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ubk h ALA 99 Cb 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ubk h ALA 99 CO 0.01 0.56 -0.39 0.28 0.00 0.00 0.00 179.25 179.71 1ubk n VAL 100 N -4.40 0.00 -1.76 0.00 0.31 -0.39 -4.72 118.33 107.38 1ubk n VAL 100 Ca 0.09 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.31 1ubk n VAL 100 Cb 0.04 0.16 -0.02 0.00 -0.91 0.00 0.00 33.84 33.11 1ubk n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubk n GLY 101 N 1.47 0.50 3.82 2.92 0.00 -0.42 -4.76 105.19 108.72 1ubk n GLY 101 Ca 0.07 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1ubk n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubk s VAL 102 N -2.41 4.64 -0.36 1.61 0.11 -0.78 -5.03 120.40 118.18 1ubk s VAL 102 Ca 0.00 1.22 -0.07 0.00 -2.93 0.00 0.00 61.98 60.20 1ubk s VAL 102 Cb 0.00 -3.87 0.05 0.00 -1.53 0.00 0.00 36.38 31.03 1ubk s VAL 102 CO 0.00 0.30 0.15 -1.00 -3.33 0.00 0.00 175.10 171.22 1ubk s HIS 103 N -1.40 3.29 0.70 1.54 0.09 -1.26 -4.66 115.29 113.58 1ubk s HIS 103 Ca 0.39 -1.44 -0.12 0.00 -0.00 0.00 0.00 55.06 53.88 1ubk s HIS 103 Cb -0.17 -2.47 0.02 0.00 -0.00 0.00 0.00 32.58 29.95 1ubk s HIS 103 CO 0.21 -0.76 1.08 0.96 -0.00 0.00 0.00 174.74 176.23 1ubk s ILE 104 N 1.41 3.58 0.72 0.60 -4.36 -1.26 -4.88 121.20 117.01 1ubk s ILE 104 Ca 0.00 0.59 -0.15 0.00 -0.26 0.00 0.00 60.65 60.83 1ubk s ILE 104 Cb -0.20 -3.16 0.03 0.00 1.25 0.00 0.00 42.46 40.39 1ubk s ILE 104 CO 0.03 -0.60 1.17 -2.84 0.24 0.00 0.00 174.94 172.94 1ubk s PRO 105 N -4.68 2.27 0.26 0.37 0.02 -1.26 -4.81 135.00 127.16 1ubk s PRO 105 Ca 0.62 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 63.25 1ubk s PRO 105 Cb -0.17 -1.86 0.53 0.00 0.02 0.00 0.00 34.50 33.02 1ubk s PRO 105 CO 0.50 -1.71 1.72 0.87 -0.33 0.00 0.00 177.00 178.05 1ubk h LYS 106 N -0.30 0.41 -0.06 5.54 1.57 -1.93 0.13 116.57 121.93 1ubk h LYS 106 Ca -0.47 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 1ubk h LYS 106 Cb 1.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1ubk h LYS 106 CO 0.50 0.27 -0.32 -0.91 -0.57 0.00 0.00 179.45 178.42 1ubk h ASN 107 N 0.42 0.12 -0.65 0.86 2.35 -1.91 -0.35 115.58 116.41 1ubk h ASN 107 Ca 0.45 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 56.08 1ubk h ASN 107 Cb 0.74 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 1ubk h ASN 107 CO -0.45 0.44 0.09 0.00 -1.65 0.00 0.00 177.43 175.86 1ubk h ALA 108 N 1.57 0.86 -0.33 -0.83 0.00 -1.19 0.29 119.26 119.64 1ubk h ALA 108 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ubk h ALA 108 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ubk h ALA 108 CO 0.05 0.64 0.19 1.15 0.00 0.00 0.00 179.25 181.28 1ubk h THR 109 N 1.00 1.12 -0.21 0.00 2.02 -0.84 -0.38 112.91 115.62 1ubk h THR 109 Ca 0.20 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.09 1ubk h THR 109 Cb 0.46 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1ubk h THR 109 CO 0.02 0.12 0.09 1.88 0.37 0.00 0.00 175.52 177.99 1ubk h TYR 110 N 0.42 0.16 -0.42 3.16 0.99 -0.85 0.08 116.97 120.50 1ubk h TYR 110 Ca 0.12 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 1ubk h TYR 110 Cb 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 37.71 1ubk h TYR 110 CO -0.04 0.08 -0.08 0.82 -0.00 0.00 0.00 178.16 178.94 1ubk h ILE 111 N 0.20 1.27 -0.83 -2.88 2.04 -0.81 0.16 117.51 116.65 1ubk h ILE 111 Ca 0.09 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 1ubk h ILE 111 Cb 0.04 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1ubk h ILE 111 CO -0.08 0.40 0.48 0.03 0.00 0.00 0.00 178.15 178.98 1ubk h ARG 112 N 0.62 1.15 -0.50 2.37 3.08 -0.98 -1.40 114.38 118.71 1ubk h ARG 112 Ca 0.11 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1ubk h ARG 112 Cb 0.61 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1ubk h ARG 112 CO 0.04 0.83 -0.13 -0.91 -1.07 0.00 0.00 179.97 178.73 1ubk h ASN 113 N 1.15 0.95 -0.51 7.04 -0.26 -0.52 -1.92 115.58 121.51 1ubk h ASN 113 Ca 0.30 -0.31 -0.09 0.00 -0.56 0.00 0.00 56.30 55.63 1ubk h ASN 113 Cb -0.00 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 1ubk h ASN 113 CO -0.05 1.07 -0.03 -0.07 -1.06 0.00 0.00 177.43 177.29 1ubk h LEU 114 N 0.84 0.94 -0.79 1.61 3.38 -0.33 0.68 115.31 121.65 1ubk h LEU 114 Ca 0.13 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1ubk h LEU 114 Cb 0.67 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1ubk h LEU 114 CO 0.05 1.01 -0.10 0.58 0.09 0.00 0.00 178.44 180.07 1ubk h VAL 115 N 0.88 1.26 -0.48 1.22 2.07 -1.20 -1.30 116.25 118.69 1ubk h VAL 115 Ca 0.16 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 1ubk h VAL 115 Cb 0.55 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1ubk h VAL 115 CO 0.03 0.40 -0.09 0.25 0.02 0.00 0.00 177.57 178.19 1ubk h LEU 116 N 0.73 0.91 -0.73 2.57 5.85 -0.97 -0.74 115.31 122.94 1ubk h LEU 116 Ca 0.12 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1ubk h LEU 116 Cb 0.59 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1ubk h LEU 116 CO 0.04 1.05 0.46 1.23 -0.34 0.00 0.00 178.44 180.88 1ubk h GLY 117 N 0.76 1.04 1.21 3.75 0.00 -0.62 -1.50 103.07 107.71 1ubk h GLY 117 Ca 0.13 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1ubk h GLY 117 CO 0.04 0.30 0.18 0.00 0.00 0.00 0.00 176.54 177.07 1ubk h ALA 118 N 1.30 1.11 -0.46 3.60 0.00 -0.98 -2.45 119.26 121.38 1ubk h ALA 118 Ca 0.29 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ubk h ALA 118 Cb -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1ubk h ALA 118 CO -0.10 0.60 0.22 0.37 0.00 0.00 0.00 179.25 180.34 1ubk h GLN 119 N 0.95 0.42 -0.83 0.00 5.75 -0.51 -2.04 115.11 118.86 1ubk h GLN 119 Ca 0.21 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.74 1ubk h GLN 119 Cb 0.30 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 1ubk h GLN 119 CO -0.01 0.28 0.52 1.88 -2.65 0.00 0.00 178.83 178.85 1ubk h TYR 120 N 0.43 0.96 -0.21 3.99 -1.99 -0.84 -0.45 116.97 118.86 1ubk h TYR 120 Ca 0.21 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.92 1ubk h TYR 120 Cb 0.13 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1ubk h TYR 120 CO -0.11 0.50 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.43 1ubk h LEU 121 N 0.96 0.40 -0.07 3.88 3.38 -1.08 -0.80 115.31 121.98 1ubk h LEU 121 Ca 0.35 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ubk h LEU 121 Cb 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1ubk h LEU 121 CO -0.16 0.67 -0.07 -0.74 0.09 0.00 0.00 178.44 178.23 1ubk h HIS 122 N 0.13 -0.18 0.21 1.13 2.76 -1.19 -2.16 115.15 115.85 1ubk h HIS 122 Ca 0.05 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1ubk h HIS 122 Cb 0.49 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1ubk h HIS 122 CO 0.05 -0.12 -0.10 0.22 -1.30 0.00 0.00 177.93 176.69 1ubk h ASP 123 N -0.09 -0.24 0.18 3.26 1.82 -0.98 -1.79 116.42 118.57 1ubk h ASP 123 Ca 0.06 -0.14 -0.12 0.00 -0.39 0.00 0.00 57.03 56.43 1ubk h ASP 123 Cb 0.17 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 1ubk h ASP 123 CO -0.13 0.01 -0.43 0.45 -1.61 0.00 0.00 179.24 177.53 1ubk h HIS 124 N -0.48 0.38 -0.25 0.28 3.86 -1.15 0.89 115.15 118.66 1ubk h HIS 124 Ca -0.03 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1ubk h HIS 124 Cb 0.37 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1ubk h HIS 124 CO -0.00 0.70 0.16 0.82 0.86 0.00 0.00 177.93 180.46 1ubk h ILE 125 N 0.26 1.08 -0.52 2.45 2.04 -1.28 -1.26 117.51 120.27 1ubk h ILE 125 Ca 0.02 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1ubk h ILE 125 Cb 0.86 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1ubk h ILE 125 CO 0.07 0.07 0.03 0.58 0.00 0.00 0.00 178.15 178.90 1ubk h VAL 126 N 0.33 1.25 0.17 1.67 2.07 -1.02 -2.33 116.25 118.39 1ubk h VAL 126 Ca 0.09 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1ubk h VAL 126 Cb -0.02 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ubk h VAL 126 CO -0.02 0.36 -0.08 -0.74 0.02 0.00 0.00 177.57 177.11 1ubk h HIS 127 N 0.81 -0.21 -0.14 1.57 -0.00 -0.53 0.25 115.15 116.90 1ubk h HIS 127 Ca 0.16 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1ubk h HIS 127 Cb 0.44 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.92 1ubk h HIS 127 CO 0.03 -0.11 0.07 0.35 -0.00 0.00 0.00 177.93 178.27 1ubk h PHE 128 N -0.26 0.20 0.02 5.26 3.04 -1.08 0.34 116.94 124.46 1ubk h PHE 128 Ca -0.02 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 1ubk h PHE 128 Cb 0.20 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 1ubk h PHE 128 CO -0.06 0.22 -0.32 1.88 -2.02 0.00 0.00 178.31 178.01 1ubk h TYR 129 N 0.11 0.09 0.00 0.41 0.05 -1.41 -0.20 116.97 116.02 1ubk h TYR 129 Ca 0.05 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1ubk h TYR 129 Cb 0.10 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1ubk h TYR 129 CO -0.03 1.13 -1.11 0.72 -1.05 0.00 0.00 178.16 177.81 1ubk n HIS 130 N -4.49 0.76 -0.09 4.88 8.25 0.86 -3.63 115.22 121.76 1ubk n HIS 130 Ca -0.14 0.22 -0.16 0.00 -0.26 0.00 0.00 57.72 57.38 1ubk n HIS 130 Cb 0.57 -0.83 -0.07 0.00 1.12 0.00 0.00 29.99 30.78 1ubk n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ubk n LEU 131 N -2.52 1.89 0.00 2.41 4.77 -0.84 -4.85 117.00 117.86 1ubk n LEU 131 Ca -0.00 0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 1ubk n LEU 131 Cb 0.53 -0.55 -0.14 0.00 -2.33 0.00 0.00 43.42 40.94 1ubk n LEU 131 CO 0.41 0.52 -0.75 1.57 -1.33 0.00 0.00 177.39 177.81 1ubk n HIS 132 N -3.51 1.24 0.15 -1.77 -0.00 0.11 -4.50 115.22 106.94 1ubk n HIS 132 Ca -0.33 0.29 0.05 0.00 0.46 0.00 0.00 57.72 58.18 1ubk n HIS 132 Cb 0.77 -1.17 0.49 0.00 -0.12 0.00 0.00 29.99 29.96 1ubk n HIS 132 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ubk h ALA 133 N 0.25 1.72 0.00 1.57 0.00 -1.09 -0.84 119.26 120.87 1ubk h ALA 133 Ca -0.40 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ubk h ALA 133 Cb 2.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ubk h ALA 133 CO 0.09 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1ubk n LEU 134 N -4.40 0.00 0.11 0.00 4.77 -1.26 -0.66 117.00 115.56 1ubk n LEU 134 Ca -0.01 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 1ubk n LEU 134 Cb 0.17 -0.41 0.46 0.00 -2.33 0.00 0.00 43.42 41.30 1ubk n LEU 134 CO 0.36 -0.28 0.86 0.47 -1.33 0.00 0.00 177.39 177.47 1ubk n ASP 135 N -1.41 0.65 0.00 -1.43 8.00 -0.32 -4.21 116.55 117.83 1ubk n ASP 135 Ca 0.03 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1ubk n ASP 135 Cb 0.09 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 1ubk n ASP 135 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ubk n PHE 136 N -2.17 0.00 -4.29 1.24 3.01 0.16 -4.94 117.46 110.47 1ubk n PHE 136 Ca 0.04 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.16 1ubk n PHE 136 Cb 0.30 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.64 1ubk n PHE 136 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ubk s VAL 137 N -0.80 3.74 -0.64 -4.37 1.01 0.17 -4.57 120.40 114.94 1ubk s VAL 137 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1ubk s VAL 137 Cb 0.00 -2.65 0.10 0.00 0.00 0.00 0.00 36.38 33.83 1ubk s VAL 137 CO 0.00 0.47 0.78 -0.62 0.00 0.00 0.00 175.10 175.73 1ubk s ASP 138 N 0.69 6.23 0.27 3.32 -1.08 -1.26 -4.65 116.67 120.19 1ubk s ASP 138 Ca -0.02 -1.45 -0.02 0.00 -0.52 0.00 0.00 52.55 50.54 1ubk s ASP 138 Cb -0.14 -2.33 0.37 0.00 -1.46 0.00 0.00 42.92 39.36 1ubk s ASP 138 CO 0.02 -1.15 1.80 0.58 0.52 0.00 0.00 175.17 176.94 1ubk h VAL 139 N 5.88 1.23 0.00 1.11 2.07 -1.95 -2.52 116.25 122.07 1ubk h VAL 139 Ca -0.25 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 1ubk h VAL 139 Cb 1.08 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1ubk h VAL 139 CO 1.10 0.32 -0.36 0.71 0.02 0.00 0.00 177.57 179.37 1ubk h THR 140 N 0.77 1.05 0.00 2.57 1.35 -1.96 -2.10 112.91 114.60 1ubk h THR 140 Ca 0.16 -1.32 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1ubk h THR 140 Cb 0.36 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1ubk h THR 140 CO 0.01 0.35 -0.02 0.00 -0.25 0.00 0.00 175.52 175.61 1ubk h ALA 141 N 1.64 1.04 -0.01 6.62 0.00 -1.85 -1.87 119.26 124.85 1ubk h ALA 141 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ubk h ALA 141 Cb 0.73 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ubk h ALA 141 CO 0.05 0.02 0.01 0.00 0.00 0.00 0.00 179.25 179.33 1ubk h ALA 142 N 1.98 1.33 0.00 0.00 0.00 -1.37 -1.13 119.26 120.06 1ubk h ALA 142 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ubk h ALA 142 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ubk h ALA 142 CO 0.00 -0.02 -0.11 -0.07 0.00 0.00 0.00 179.25 179.06 1ubk h LEU 143 N 0.00 0.00 -0.21 0.00 4.07 -1.49 -2.65 115.31 115.03 1ubk h LEU 143 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ubk h LEU 143 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1ubk h LEU 143 CO -0.00 0.11 -0.25 0.29 -1.08 0.00 0.00 178.44 177.51 1ubk n LYS 144 N -3.35 0.46 -2.10 1.13 4.76 -0.43 -4.98 118.16 113.65 1ubk n LYS 144 Ca -0.01 -0.21 -0.32 0.00 -2.87 0.00 0.00 58.31 54.90 1ubk n LYS 144 Cb 0.30 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1ubk n LYS 144 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ubk s ALA 145 N -2.69 2.84 -0.41 7.82 0.00 -1.00 -4.97 121.76 123.34 1ubk s ALA 145 Ca 0.21 0.30 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 1ubk s ALA 145 Cb 0.19 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1ubk s ALA 145 CO 0.56 -0.68 0.79 0.34 0.00 0.00 0.00 175.76 176.77 1ubk s ASP 146 N -2.98 6.48 0.42 0.00 -1.08 -1.26 -4.94 116.67 113.31 1ubk s ASP 146 Ca 0.62 0.13 0.18 0.00 -0.52 0.00 0.00 52.55 52.95 1ubk s ASP 146 Cb -0.14 -2.39 0.94 0.00 -1.46 0.00 0.00 42.92 39.87 1ubk s ASP 146 CO 0.37 -0.84 1.90 1.55 0.52 0.00 0.00 175.17 178.68 1ubk h PRO 147 N 8.75 0.00 -0.28 4.34 0.13 -1.94 -0.76 132.00 142.23 1ubk h PRO 147 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 1ubk h PRO 147 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ubk h PRO 147 CO 0.94 0.28 0.03 0.00 -0.23 0.00 0.00 178.00 179.02 1ubk h ALA 148 N 1.72 0.38 -0.34 -0.56 0.00 -1.92 -0.02 119.26 118.52 1ubk h ALA 148 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1ubk h ALA 148 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ubk h ALA 148 CO 0.04 0.08 0.11 -0.22 0.00 0.00 0.00 179.25 179.26 1ubk h LYS 149 N 0.28 0.52 -1.01 0.00 3.64 -1.86 -1.99 116.57 116.16 1ubk h LYS 149 Ca 0.08 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1ubk h LYS 149 Cb 0.37 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 1ubk h LYS 149 CO 0.01 0.55 0.65 0.00 -2.27 0.00 0.00 179.45 178.39 1ubk h ALA 150 N 0.95 1.40 -0.41 5.00 0.00 -1.10 -1.19 119.26 123.91 1ubk h ALA 150 Ca 0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ubk h ALA 150 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ubk h ALA 150 CO -0.00 0.43 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 1ubk h ALA 151 N 1.46 1.07 -0.64 0.00 0.00 -0.70 0.44 119.26 120.89 1ubk h ALA 151 Ca 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ubk h ALA 151 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ubk h ALA 151 CO -0.18 0.57 0.35 -0.22 0.00 0.00 0.00 179.25 179.77 1ubk h LYS 152 N 0.66 0.89 -0.24 0.00 3.64 -0.60 -0.36 116.57 120.56 1ubk h LYS 152 Ca 0.12 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1ubk h LYS 152 Cb 0.54 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1ubk h LYS 152 CO 0.03 0.67 -0.02 0.28 -2.27 0.00 0.00 179.45 178.15 1ubk h VAL 153 N 0.87 1.27 -0.75 2.00 2.07 -0.88 -1.40 116.25 119.43 1ubk h VAL 153 Ca 0.22 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1ubk h VAL 153 Cb 0.04 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1ubk h VAL 153 CO -0.04 0.30 0.49 0.00 0.02 0.00 0.00 177.57 178.34 1ubk h ALA 154 N 0.79 1.47 0.00 1.67 0.00 -0.70 -1.48 119.26 121.02 1ubk h ALA 154 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ubk h ALA 154 Cb 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ubk h ALA 154 CO 0.02 0.49 0.00 0.77 0.00 0.00 0.00 179.25 180.52 1ubk h SER 155 N 1.01 0.00 1.56 0.00 0.02 -0.91 -3.10 113.55 112.13 1ubk h SER 155 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1ubk h SER 155 Cb -0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1ubk h SER 155 CO -0.06 0.00 -0.38 0.77 -1.14 0.00 0.00 176.83 176.02 1ubk h SER 156 N 0.00 0.00 -0.01 3.07 4.64 -0.17 -3.33 113.55 117.75 1ubk h SER 156 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ubk h SER 156 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1ubk h SER 156 CO 0.00 0.01 -0.71 2.30 -0.87 0.00 0.00 176.83 177.56 1ubk n ILE 157 N -2.84 0.00 -3.98 0.95 -5.35 -1.07 -4.97 119.36 102.10 1ubk n ILE 157 Ca 0.03 -0.15 -0.09 0.00 -0.27 0.00 0.00 62.75 62.27 1ubk n ILE 157 Cb 0.52 1.13 -0.11 0.00 -1.74 0.00 0.00 39.64 39.44 1ubk n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ubk s SER 158 N -2.67 0.25 0.55 7.28 0.15 -1.18 -4.73 113.70 113.36 1ubk s SER 158 Ca 0.13 -0.51 0.33 0.00 0.70 0.00 0.00 55.95 56.60 1ubk s SER 158 Cb 0.17 0.11 1.54 0.00 -1.71 0.00 0.00 66.02 66.13 1ubk s SER 158 CO 0.69 -0.31 2.06 1.55 1.20 0.00 0.00 173.24 178.44 1ubk h PRO 159 N 4.59 0.00 -6.39 5.44 0.13 -1.85 -3.43 132.00 130.49 1ubk h PRO 159 Ca -0.32 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 1ubk h PRO 159 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ubk h PRO 159 CO 0.42 0.06 0.66 0.50 -0.23 0.00 0.00 178.00 179.40 1ubk s ARG 160 N -3.88 4.38 -0.06 0.86 3.52 -1.26 -5.00 118.95 117.51 1ubk s ARG 160 Ca -0.01 1.75 -0.26 0.00 -0.13 0.00 0.00 55.73 57.07 1ubk s ARG 160 Cb 0.11 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1ubk s ARG 160 CO 0.54 -0.38 0.83 0.15 -0.81 0.00 0.00 175.30 175.63 1ubk s LYS 161 N 1.75 4.46 -0.08 5.12 1.02 -1.26 -4.52 119.74 126.24 1ubk s LYS 161 Ca 0.58 1.11 0.04 0.00 0.02 0.00 0.00 55.97 57.73 1ubk s LYS 161 Cb -0.27 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 1ubk s LYS 161 CO 0.26 -0.04 -0.21 0.99 -0.92 0.00 0.00 175.35 175.42 1ubk s THR 162 N 1.10 2.35 0.38 2.17 2.01 -1.26 -5.04 115.64 117.34 1ubk s THR 162 Ca 0.43 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.56 1ubk s THR 162 Cb -0.19 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1ubk s THR 162 CO 0.21 0.56 0.27 0.42 -0.69 0.00 0.00 174.62 175.39 1ubk s THR 163 N -0.02 2.88 0.27 -0.82 -4.23 -1.26 -4.63 115.64 107.83 1ubk s THR 163 Ca -0.07 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1ubk s THR 163 Cb -0.15 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 70.93 1ubk s THR 163 CO 0.05 -0.08 1.87 0.00 -0.54 0.00 0.00 174.62 175.92 1ubk h ALA 164 N 1.26 1.40 -0.36 3.99 0.00 -1.87 -1.95 119.26 121.74 1ubk h ALA 164 Ca -0.43 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1ubk h ALA 164 Cb 1.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1ubk h ALA 164 CO 0.61 0.39 -0.09 0.00 0.00 0.00 0.00 179.25 180.16 1ubk h ALA 165 N 1.47 1.18 -0.59 0.00 0.00 -1.95 0.99 119.26 120.35 1ubk h ALA 165 Ca 0.44 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ubk h ALA 165 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ubk h ALA 165 CO -0.19 0.53 0.37 -0.44 0.00 0.00 0.00 179.25 179.51 1ubk h ASP 166 N 0.56 0.60 1.23 0.00 3.32 -1.76 -1.70 116.42 118.68 1ubk h ASP 166 Ca 0.10 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1ubk h ASP 166 Cb 0.49 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1ubk h ASP 166 CO 0.03 0.43 -0.76 -0.07 -1.72 0.00 0.00 179.24 177.14 1ubk h LEU 167 N 0.73 0.00 -1.10 1.55 3.38 -1.18 -3.07 115.31 115.61 1ubk h LEU 167 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1ubk h LEU 167 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ubk h LEU 167 CO -0.09 0.76 -0.18 0.50 0.09 0.00 0.00 178.44 179.52 1ubk h LYS 168 N 0.00 0.42 -0.97 1.13 3.64 -0.59 -0.63 116.57 119.57 1ubk h LYS 168 Ca -0.01 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1ubk h LYS 168 Cb 1.58 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.31 1ubk h LYS 168 CO 0.10 0.59 0.64 0.00 -2.27 0.00 0.00 179.45 178.50 1ubk h ALA 169 N 1.43 1.25 -0.37 5.00 0.00 -1.22 0.27 119.26 125.63 1ubk h ALA 169 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1ubk h ALA 169 Cb 0.54 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ubk h ALA 169 CO 0.03 0.58 -0.05 0.28 0.00 0.00 0.00 179.25 180.09 1ubk h VAL 170 N 1.28 1.27 -0.86 0.00 2.07 -1.43 -1.98 116.25 116.60 1ubk h VAL 170 Ca 0.37 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1ubk h VAL 170 Cb -0.09 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1ubk h VAL 170 CO -0.09 0.36 0.48 -0.61 0.02 0.00 0.00 177.57 177.73 1ubk h GLN 171 N 0.49 1.19 -0.77 1.57 4.15 -0.31 -0.60 115.11 120.83 1ubk h GLN 171 Ca 0.10 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1ubk h GLN 171 Cb 0.55 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1ubk h GLN 171 CO 0.03 0.86 0.45 -0.44 -1.93 0.00 0.00 178.83 177.80 1ubk h ASP 172 N 1.19 0.93 -0.48 -0.69 3.45 -0.44 0.21 116.42 120.59 1ubk h ASP 172 Ca 0.30 -0.07 -0.10 0.00 0.43 0.00 0.00 57.03 57.59 1ubk h ASP 172 Cb 0.01 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 1ubk h ASP 172 CO -0.05 0.73 -0.10 0.50 -1.57 0.00 0.00 179.24 178.76 1ubk h LYS 173 N 1.05 0.92 -0.49 3.56 1.63 -0.84 -2.09 116.57 120.31 1ubk h LYS 173 Ca 0.27 -0.34 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 1ubk h LYS 173 Cb -0.02 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1ubk h LYS 173 CO -0.05 0.99 -0.05 1.25 -3.45 0.00 0.00 179.45 178.15 1ubk h LEU 174 N 0.77 0.83 -0.45 5.20 6.46 -0.88 -1.97 115.31 125.26 1ubk h LEU 174 Ca 0.12 -0.23 -0.09 0.00 -0.12 0.00 0.00 57.88 57.57 1ubk h LEU 174 Cb 0.65 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1ubk h LEU 174 CO 0.04 0.92 -0.07 0.50 -0.62 0.00 0.00 178.44 179.22 1ubk h LYS 175 N 0.78 0.84 -0.72 1.25 3.64 -0.35 -0.06 116.57 121.95 1ubk h LYS 175 Ca 0.14 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1ubk h LYS 175 Cb 0.53 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1ubk h LYS 175 CO 0.03 0.93 0.46 1.15 -2.27 0.00 0.00 179.45 179.75 1ubk h THR 176 N 0.68 1.11 0.05 1.00 2.02 -1.19 0.36 112.91 116.94 1ubk h THR 176 Ca 0.12 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1ubk h THR 176 Cb 0.60 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1ubk h THR 176 CO 0.04 0.16 -0.03 0.15 0.37 0.00 0.00 175.52 176.21 1ubk h PHE 177 N 0.90 -0.08 -0.13 3.16 3.04 -0.99 -2.30 116.94 120.54 1ubk h PHE 177 Ca 0.29 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.08 1ubk h PHE 177 Cb 0.00 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 1ubk h PHE 177 CO -0.04 -0.05 -0.57 0.28 -2.02 0.00 0.00 178.31 175.91 1ubk h VAL 178 N -0.08 1.35 0.00 1.41 2.07 -0.77 -2.54 116.25 117.69 1ubk h VAL 178 Ca -0.00 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1ubk h VAL 178 Cb 0.07 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1ubk h VAL 178 CO 0.01 0.57 0.00 -0.62 0.02 0.00 0.00 177.57 177.54 1ubk n GLU 179 N -3.92 0.20 0.16 1.57 1.02 0.10 -1.25 120.64 118.51 1ubk n GLU 179 Ca -0.03 0.36 0.13 0.00 -0.02 0.00 0.00 57.16 57.60 1ubk n GLU 179 Cb 0.61 -1.83 0.53 0.00 -0.02 0.00 0.00 31.44 30.73 1ubk n GLU 179 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1ubk h THR 180 N 0.00 0.00 0.00 2.62 1.35 -0.96 -3.46 112.91 112.46 1ubk h THR 180 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1ubk h THR 180 Cb 0.44 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1ubk h THR 180 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ubk n GLY 181 N 0.01 1.53 3.25 5.82 0.00 -0.38 -4.96 105.19 110.46 1ubk n GLY 181 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1ubk n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubk s GLN 182 N -0.07 3.26 0.00 1.61 -0.21 -1.26 -4.91 119.66 118.09 1ubk s GLN 182 Ca 0.00 -2.49 0.25 0.00 0.02 0.00 0.00 55.36 53.14 1ubk s GLN 182 Cb 0.00 -4.20 1.09 0.00 1.00 0.00 0.00 33.01 30.90 1ubk s GLN 182 CO 0.00 -1.25 1.80 1.28 -2.12 0.00 0.00 175.29 175.00 1ubk n LEU 183 N 3.80 0.00 0.00 2.90 4.32 -1.26 -4.84 117.00 121.91 1ubk n LEU 183 Ca 0.12 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 1ubk n LEU 183 Cb 0.44 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1ubk n LEU 183 CO 0.33 -0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 1ubk n GLY 184 N 1.03 3.60 0.00 -0.72 0.00 -1.26 -0.73 105.19 107.10 1ubk n GLY 184 Ca 0.07 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1ubk n GLY 184 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ubk n PRO 185 N 14.00 0.11 -0.08 1.61 -0.02 -1.26 -1.31 135.00 148.05 1ubk n PRO 185 Ca 0.00 0.22 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 1ubk n PRO 185 Cb 0.00 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.13 1ubk n PRO 185 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ubk n PHE 186 N -1.33 0.22 -1.70 6.00 3.72 0.09 -4.90 117.46 119.56 1ubk n PHE 186 Ca 0.04 -0.12 -0.44 0.00 -0.05 0.00 0.00 57.45 56.89 1ubk n PHE 186 Cb 0.09 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1ubk n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ubk n THR 187 N 1.37 0.11 -2.25 4.37 -1.04 -0.42 -1.85 114.28 114.57 1ubk n THR 187 Ca 0.16 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.95 1ubk n THR 187 Cb 0.59 -1.79 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 1ubk n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ubk n ASN 188 N 3.55 -5.38 -4.69 8.00 5.03 -1.26 -4.95 115.26 115.57 1ubk n ASN 188 Ca 0.16 0.11 -0.37 0.00 0.87 0.00 0.00 54.58 55.34 1ubk n ASN 188 Cb 0.32 -4.54 0.06 0.00 -1.02 0.00 0.00 39.78 34.60 1ubk n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ubk n ALA 189 N -1.47 0.83 0.28 5.41 0.00 -0.77 -4.87 120.51 119.92 1ubk n ALA 189 Ca -0.22 0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.39 1ubk n ALA 189 Cb 0.66 -2.25 0.81 0.00 0.00 0.00 0.00 19.45 18.67 1ubk n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ubk h TYR 190 N 0.61 0.00 0.00 0.00 0.99 -1.92 -1.93 116.97 114.73 1ubk h TYR 190 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1ubk h TYR 190 Cb 1.35 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.08 1ubk h TYR 190 CO 0.40 0.07 -0.20 1.97 -0.00 0.00 0.00 178.16 180.40 1ubk n PHE 191 N -3.42 0.28 -1.84 4.88 1.16 -1.26 -4.67 117.46 112.59 1ubk n PHE 191 Ca -0.02 0.08 -0.42 0.00 -1.87 0.00 0.00 57.45 55.23 1ubk n PHE 191 Cb 0.22 -0.56 -0.03 0.00 -1.61 0.00 0.00 39.48 37.50 1ubk n PHE 191 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1ubk s LEU 192 N -3.50 4.37 0.00 5.98 1.43 -0.73 -0.51 118.68 125.72 1ubk s LEU 192 Ca 0.11 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 1ubk s LEU 192 Cb 0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1ubk s LEU 192 CO 0.61 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1ubk n GLY 193 N 3.33 1.17 0.00 -3.19 0.00 -1.26 -4.83 105.19 100.41 1ubk n GLY 193 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ubk n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubk n GLY 194 N -2.00 0.88 3.51 -0.02 0.00 0.34 -5.10 105.19 102.80 1ubk n GLY 194 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 1ubk n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubk s HIS 195 N -2.77 -0.83 0.51 1.61 5.04 -1.26 -4.85 115.29 112.74 1ubk s HIS 195 Ca 0.00 1.77 0.38 0.00 -1.54 0.00 0.00 55.06 55.67 1ubk s HIS 195 Cb 0.00 0.41 1.99 0.00 0.04 0.00 0.00 32.58 35.02 1ubk s HIS 195 CO 0.00 -0.42 2.24 -1.00 -2.34 0.00 0.00 174.74 173.22 1ubk h PRO 196 N 6.38 0.00 -0.09 2.88 0.13 -1.98 -1.22 132.00 138.09 1ubk h PRO 196 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ubk h PRO 196 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ubk h PRO 196 CO 0.18 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 177.97 1ubk n ALA 197 N -2.15 2.51 -2.58 -0.56 0.00 -1.26 -4.76 120.51 111.71 1ubk n ALA 197 Ca -0.02 -0.60 -0.40 0.00 0.00 0.00 0.00 53.44 52.42 1ubk n ALA 197 Cb 0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 1ubk n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ubk s TYR 198 N -1.90 3.23 -0.27 0.00 1.51 -0.46 -4.97 117.35 114.48 1ubk s TYR 198 Ca 0.34 0.21 0.11 0.00 -1.01 0.00 0.00 57.07 56.72 1ubk s TYR 198 Cb 0.20 -2.58 -0.15 0.00 -0.11 0.00 0.00 41.96 39.32 1ubk s TYR 198 CO 0.31 -0.30 0.36 0.66 -1.11 0.00 0.00 175.55 175.47 1ubk n TYR 199 N 5.32 0.00 -2.10 2.71 4.01 -1.26 -4.79 117.16 121.05 1ubk n TYR 199 Ca -0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.28 1ubk n TYR 199 Cb 0.50 -0.13 0.01 0.00 -0.31 0.00 0.00 39.34 39.42 1ubk n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ubk s LEU 200 N -3.16 3.83 0.76 7.72 1.02 -1.26 -5.02 118.68 122.57 1ubk s LEU 200 Ca 0.00 2.39 -0.12 0.00 0.02 0.00 0.00 54.13 56.42 1ubk s LEU 200 Cb 0.08 -4.42 0.05 0.00 0.02 0.00 0.00 46.19 41.92 1ubk s LEU 200 CO 0.46 -1.29 1.12 1.51 0.02 0.00 0.00 176.35 178.17 1ubk s ASP 201 N -1.43 4.92 0.29 2.29 1.47 -1.26 -4.85 116.67 118.11 1ubk s ASP 201 Ca 0.71 1.08 0.00 0.00 1.18 0.00 0.00 52.55 55.52 1ubk s ASP 201 Cb -0.30 -1.79 0.50 0.00 -0.34 0.00 0.00 42.92 40.99 1ubk s ASP 201 CO 0.35 -1.67 1.91 -0.65 0.68 0.00 0.00 175.17 175.79 1ubk h PRO 202 N -0.88 1.03 -0.50 2.11 0.11 -1.94 -1.70 132.00 130.22 1ubk h PRO 202 Ca -0.46 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1ubk h PRO 202 Cb 1.28 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1ubk h PRO 202 CO 0.63 0.68 0.05 0.93 -0.21 0.00 0.00 178.00 180.08 1ubk h GLU 203 N 1.06 0.86 -0.18 1.05 3.07 -1.90 -0.05 114.58 118.49 1ubk h GLU 203 Ca 0.39 -0.25 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 1ubk h GLU 203 Cb 0.18 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1ubk h GLU 203 CO -0.15 0.87 -0.47 1.15 -1.40 0.00 0.00 179.01 179.01 1ubk h THR 204 N 0.73 1.32 -0.95 1.13 2.02 -1.85 -0.89 112.91 114.42 1ubk h THR 204 Ca 0.15 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.68 1ubk h THR 204 Cb 0.45 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 1ubk h THR 204 CO 0.02 0.52 0.63 0.78 0.37 0.00 0.00 175.52 177.83 1ubk h ASN 205 N 0.37 1.06 -0.35 4.18 -0.26 -1.03 -0.93 115.58 118.61 1ubk h ASN 205 Ca 0.02 -0.02 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 1ubk h ASN 205 Cb 0.97 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 1ubk h ASN 205 CO 0.08 0.74 -0.23 0.25 -1.06 0.00 0.00 177.43 177.21 1ubk h LEU 206 N 1.23 0.81 -0.31 1.61 5.85 -0.48 -0.48 115.31 123.54 1ubk h LEU 206 Ca 0.37 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ubk h LEU 206 Cb -0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1ubk h LEU 206 CO -0.10 1.07 0.18 0.40 -0.34 0.00 0.00 178.44 179.65 1ubk h ILE 207 N 0.56 1.04 -0.49 4.05 2.04 -0.95 0.31 117.51 124.06 1ubk h ILE 207 Ca 0.07 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1ubk h ILE 207 Cb 0.79 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1ubk h ILE 207 CO 0.06 0.07 0.04 0.00 0.00 0.00 0.00 178.15 178.32 1ubk h ALA 208 N 1.14 1.14 -0.31 1.87 0.00 -1.07 -1.55 119.26 120.48 1ubk h ALA 208 Ca 0.12 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1ubk h ALA 208 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ubk h ALA 208 CO -0.05 0.56 -0.08 1.15 0.00 0.00 0.00 179.25 180.82 1ubk h THR 209 N 0.75 1.28 -0.71 0.00 2.02 -0.83 0.15 112.91 115.57 1ubk h THR 209 Ca 0.15 -1.13 0.09 0.00 0.77 0.00 0.00 66.41 66.30 1ubk h THR 209 Cb 0.40 1.37 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 1ubk h THR 209 CO 0.01 0.36 0.36 0.00 0.37 0.00 0.00 175.52 176.63 1ubk h ALA 210 N 0.79 0.98 0.00 6.16 0.00 -0.72 -1.37 119.26 125.11 1ubk h ALA 210 Ca 0.08 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1ubk h ALA 210 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ubk h ALA 210 CO 0.03 -0.03 -0.77 0.45 0.00 0.00 0.00 179.25 178.94 1ubk h HIS 211 N 0.62 0.00 -0.15 0.00 3.86 -0.99 -0.09 115.15 118.39 1ubk h HIS 211 Ca 0.35 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.59 1ubk h HIS 211 Cb 0.35 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 1ubk h HIS 211 CO -0.10 0.77 -0.07 -0.92 0.86 0.00 0.00 177.93 178.47 1ubk h TYR 212 N 0.00 -0.16 -0.36 2.45 3.20 -0.34 0.21 116.97 121.98 1ubk h TYR 212 Ca -0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1ubk h TYR 212 Cb 1.54 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.89 1ubk h TYR 212 CO 0.00 -0.11 0.07 -0.07 -1.64 0.00 0.00 178.16 176.41 1ubk h LEU 213 N -0.05 0.55 -0.74 2.82 4.07 -0.99 -2.21 115.31 118.77 1ubk h LEU 213 Ca 0.08 -0.24 0.06 0.00 0.08 0.00 0.00 57.88 57.86 1ubk h LEU 213 Cb 0.17 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 41.71 1ubk h LEU 213 CO -0.19 0.65 0.43 -0.08 -1.08 0.00 0.00 178.44 178.18 1ubk h GLU 214 N 0.42 0.77 0.00 1.13 4.81 -0.76 -1.92 114.58 119.03 1ubk h GLU 214 Ca 0.11 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1ubk h GLU 214 Cb 0.33 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1ubk h GLU 214 CO 0.00 0.51 -0.17 0.00 -0.73 0.00 0.00 179.01 178.62 1ubk h ALA 215 N 1.37 1.56 -0.70 2.92 0.00 -0.25 -0.48 119.26 123.68 1ubk h ALA 215 Ca 0.33 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1ubk h ALA 215 Cb 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ubk h ALA 215 CO -0.18 0.21 0.46 -0.07 0.00 0.00 0.00 179.25 179.67 1ubk h LEU 216 N 0.00 0.75 0.16 0.00 3.38 -0.73 -0.01 115.31 118.86 1ubk h LEU 216 Ca -0.00 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1ubk h LEU 216 Cb 0.33 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ubk h LEU 216 CO 0.02 0.52 -1.53 0.03 0.09 0.00 0.00 178.44 177.57 1ubk h ARG 217 N 0.87 0.34 -0.63 1.13 3.08 -1.31 -3.35 114.38 114.51 1ubk h ARG 217 Ca 0.28 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1ubk h ARG 217 Cb 0.03 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1ubk h ARG 217 CO -0.07 1.23 0.22 1.25 -1.07 0.00 0.00 179.97 181.53 1ubk h LEU 218 N 0.09 0.86 -2.06 3.04 5.85 -0.85 -1.95 115.31 120.29 1ubk h LEU 218 Ca -0.25 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1ubk h LEU 218 Cb 2.06 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1ubk h LEU 218 CO 0.19 0.79 -0.08 0.06 -0.34 0.00 0.00 178.44 179.06 1ubk h GLN 219 N 0.91 0.00 -0.54 1.25 -0.00 -1.14 -0.94 115.11 114.66 1ubk h GLN 219 Ca 0.21 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.91 1ubk h GLN 219 Cb 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.65 1ubk h GLN 219 CO -0.01 0.08 0.26 0.28 -0.00 0.00 0.00 178.83 179.44 1ubk h VAL 220 N 0.00 0.92 -0.51 1.86 2.07 -1.48 0.20 116.25 119.31 1ubk h VAL 220 Ca -0.00 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1ubk h VAL 220 Cb 0.19 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1ubk h VAL 220 CO 0.01 0.09 -0.11 0.11 0.02 0.00 0.00 177.57 177.69 1ubk h LYS 221 N 0.49 0.94 -0.46 1.57 1.57 -1.27 -0.40 116.57 119.02 1ubk h LYS 221 Ca 0.25 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1ubk h LYS 221 Cb 0.19 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1ubk h LYS 221 CO -0.19 1.00 -0.02 0.00 -0.57 0.00 0.00 179.45 179.67 1ubk h ALA 222 N 1.03 1.11 -0.10 3.86 0.00 -0.93 -1.82 119.26 122.39 1ubk h ALA 222 Ca 0.14 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1ubk h ALA 222 Cb 0.65 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ubk h ALA 222 CO 0.04 0.57 -0.79 0.00 0.00 0.00 0.00 179.25 179.07 1ubk h ALA 223 N 1.27 0.41 -0.77 0.00 0.00 -0.88 -3.08 119.26 116.21 1ubk h ALA 223 Ca 0.14 -0.62 0.10 0.00 0.00 0.00 0.00 54.91 54.52 1ubk h ALA 223 Cb 0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1ubk h ALA 223 CO 0.02 0.72 0.50 -0.09 0.00 0.00 0.00 179.25 180.41 1ubk h ARG 224 N 0.41 0.68 -0.96 0.00 2.43 -0.68 -1.21 114.38 115.05 1ubk h ARG 224 Ca -0.05 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.22 1ubk h ARG 224 Cb 1.40 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.72 1ubk h ARG 224 CO 0.15 0.45 0.61 0.00 -1.51 0.00 0.00 179.97 179.66 1ubk h ALA 225 N 1.61 1.69 -0.15 2.80 0.00 -1.24 0.11 119.26 124.07 1ubk h ALA 225 Ca 0.35 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1ubk h ALA 225 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ubk h ALA 225 CO -0.13 0.05 -0.33 0.52 0.00 0.00 0.00 179.25 179.35 1ubk h MET 226 N 0.83 0.31 0.00 0.00 2.86 -1.33 -3.03 114.93 114.56 1ubk h MET 226 Ca 0.49 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.95 1ubk h MET 226 Cb 0.66 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1ubk h MET 226 CO -0.26 0.62 -0.24 0.00 1.06 0.00 0.00 176.91 178.09 1ubk h ALA 227 N 1.38 0.95 -0.50 6.32 0.00 -0.91 0.20 119.26 126.70 1ubk h ALA 227 Ca 0.03 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ubk h ALA 227 Cb 0.73 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1ubk h ALA 227 CO 0.06 0.30 0.22 0.28 0.00 0.00 0.00 179.25 180.10 1ubk h VAL 228 N 0.00 0.89 0.00 0.00 2.07 -1.22 -1.91 116.25 116.08 1ubk h VAL 228 Ca -0.00 -0.15 -0.27 0.00 0.82 0.00 0.00 66.70 67.10 1ubk h VAL 228 Cb 0.88 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1ubk h VAL 228 CO 0.03 0.08 -2.03 0.49 0.02 0.00 0.00 177.57 176.16 1ubk n PHE 229 N -4.94 0.37 -0.78 1.57 3.72 -1.23 -4.66 117.46 111.50 1ubk n PHE 229 Ca 0.05 0.13 0.08 0.00 -0.05 0.00 0.00 57.45 57.66 1ubk n PHE 229 Cb 0.17 -0.99 0.30 0.00 -0.94 0.00 0.00 39.48 38.02 1ubk n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubk n GLY 230 N 1.58 3.35 3.95 1.37 0.00 0.70 -4.78 105.19 111.37 1ubk n GLY 230 Ca -0.22 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1ubk n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubk n ALA 231 N 0.25 0.00 -3.53 4.61 0.00 -0.73 -1.00 120.51 120.12 1ubk n ALA 231 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 1ubk n ALA 231 Cb 0.90 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.33 1ubk n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ubk s LYS 232 N 0.00 0.70 -0.03 0.00 -2.85 -1.26 -4.86 119.74 111.44 1ubk s LYS 232 Ca 0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 55.97 54.77 1ubk s LYS 232 Cb 0.00 0.33 0.03 0.00 -2.06 0.00 0.00 37.83 36.13 1ubk s LYS 232 CO 0.00 -0.30 0.05 1.21 0.10 0.00 0.00 175.35 176.42 1ubk s ASN 233 N -2.21 0.09 0.72 0.03 3.04 -1.26 -3.46 114.94 111.90 1ubk s ASN 233 Ca 0.05 0.09 -0.11 0.00 0.04 0.00 0.00 52.86 52.92 1ubk s ASN 233 Cb -0.01 -0.03 0.02 0.00 -1.54 0.00 0.00 41.25 39.70 1ubk s ASN 233 CO -0.07 -0.14 1.08 -2.84 -3.04 0.00 0.00 177.10 172.09 1ubk s PRO 234 N 1.15 2.72 -0.21 0.43 0.02 -1.26 -5.00 135.00 132.85 1ubk s PRO 234 Ca -0.08 0.72 -0.04 0.00 0.02 0.00 0.00 61.00 61.61 1ubk s PRO 234 Cb -0.13 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1ubk s PRO 234 CO -0.04 -1.19 0.15 0.72 -0.33 0.00 0.00 177.00 176.31 1ubk n HIS 235 N -3.16 -2.23 -1.11 6.54 8.25 -1.26 -5.02 115.22 117.24 1ubk n HIS 235 Ca 0.07 0.95 -0.30 0.00 -0.26 0.00 0.00 57.72 58.18 1ubk n HIS 235 Cb 0.55 -3.00 0.14 0.00 1.12 0.00 0.00 29.99 28.81 1ubk n HIS 235 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ubk s THR 236 N -1.37 2.62 -0.44 1.59 -4.23 -1.22 -4.68 115.64 107.90 1ubk s THR 236 Ca 0.06 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 60.84 1ubk s THR 236 Cb -0.02 -2.61 0.24 0.00 1.34 0.00 0.00 72.50 71.45 1ubk s THR 236 CO 0.46 -0.27 0.70 1.67 -0.54 0.00 0.00 174.62 176.65 1ubk n GLN 237 N -3.96 0.73 0.00 3.99 7.27 -0.17 -4.90 117.38 120.34 1ubk n GLN 237 Ca 0.07 -2.45 0.00 0.00 0.07 0.00 0.00 57.00 54.70 1ubk n GLN 237 Cb 0.55 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.84 1ubk n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1ubk n PHE 238 N 1.61 0.00 -3.51 3.69 1.16 -1.26 -4.66 117.46 114.48 1ubk n PHE 238 Ca 0.15 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.38 1ubk n PHE 238 Cb 0.58 0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.40 1ubk n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ubk s THR 239 N 0.00 5.03 0.09 1.97 -4.23 -1.26 -0.91 115.64 116.33 1ubk s THR 239 Ca 0.00 0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1ubk s THR 239 Cb 0.00 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1ubk s THR 239 CO 0.00 0.35 0.01 0.68 -0.54 0.00 0.00 174.62 175.12 1ubk s VAL 240 N -1.33 0.18 0.26 2.29 -7.23 -1.00 -4.90 120.40 108.67 1ubk s VAL 240 Ca 0.32 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 1ubk s VAL 240 Cb -0.15 -1.75 -0.12 0.00 0.56 0.00 0.00 36.38 34.92 1ubk s VAL 240 CO 0.17 -0.77 1.59 0.52 -0.31 0.00 0.00 175.10 176.30 1ubk n VAL 241 N 0.02 0.74 0.00 1.32 0.31 -1.26 -1.57 118.33 117.89 1ubk n VAL 241 Ca -0.10 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1ubk n VAL 241 Cb 0.62 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1ubk n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubk n GLY 242 N 2.60 1.77 0.00 2.92 0.00 -1.26 -4.86 105.19 106.37 1ubk n GLY 242 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ubk n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubk n GLY 243 N -2.00 -0.35 3.27 -0.02 0.00 -0.61 -1.06 105.19 104.41 1ubk n GLY 243 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 1ubk n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubk s VAL 244 N -1.13 0.40 -0.47 1.61 -7.23 -0.61 -2.36 120.40 110.62 1ubk s VAL 244 Ca 0.00 -1.99 0.12 0.00 -1.81 0.00 0.00 61.98 58.30 1ubk s VAL 244 Cb 0.00 -2.49 -0.14 0.00 0.56 0.00 0.00 36.38 34.31 1ubk s VAL 244 CO 0.00 -0.10 0.47 0.35 -0.31 0.00 0.00 175.10 175.51 1ubk n THR 245 N -0.36 0.00 -2.88 5.32 -2.24 -0.08 -4.27 114.28 109.77 1ubk n THR 245 Ca -0.01 -0.23 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 1ubk n THR 245 Cb 0.66 0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 69.75 1ubk n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubk h TYR 247 N 7.41 0.00 0.00 0.00 -1.99 -1.96 0.71 116.97 121.13 1ubk h TYR 247 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1ubk h TYR 247 Cb 0.89 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.62 1ubk h TYR 247 CO 1.16 0.00 0.00 0.22 -0.00 0.00 0.00 178.16 179.54 1ubk h ASP 248 N 0.00 0.00 0.72 3.88 -0.00 -1.98 -1.99 116.42 117.05 1ubk h ASP 248 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1ubk h ASP 248 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.62 1ubk h ASP 248 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 1ubk h ALA 249 N 2.08 1.00 0.00 -0.78 0.00 -1.18 -1.75 119.26 118.63 1ubk h ALA 249 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubk h ALA 249 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ubk h ALA 249 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 1ubk h LEU 250 N 0.00 0.00 -9.97 0.00 4.07 -1.51 -3.41 115.31 104.49 1ubk h LEU 250 Ca 0.00 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.48 1ubk h LEU 250 Cb 0.36 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.11 1ubk h LEU 250 CO 0.00 0.00 0.39 0.42 -1.08 0.00 0.00 178.44 178.17 1ubk s THR 251 N -3.15 3.87 0.44 0.22 -4.23 -0.66 -4.94 115.64 107.20 1ubk s THR 251 Ca 0.09 1.41 0.12 0.00 -1.18 0.00 0.00 61.69 62.13 1ubk s THR 251 Cb 0.11 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.54 1ubk s THR 251 CO 0.58 -0.02 2.02 -0.65 -0.54 0.00 0.00 174.62 176.02 1ubk h PRO 252 N 2.50 0.39 -0.28 3.99 0.11 -1.90 -1.97 132.00 134.83 1ubk h PRO 252 Ca -0.48 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1ubk h PRO 252 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ubk h PRO 252 CO 0.62 0.26 -0.20 1.96 -0.21 0.00 0.00 178.00 180.43 1ubk h GLN 253 N 0.40 0.64 -0.35 1.05 7.50 -1.92 0.89 115.11 123.33 1ubk h GLN 253 Ca 0.21 -0.31 -0.11 0.00 0.50 0.00 0.00 58.65 58.93 1ubk h GLN 253 Cb 0.31 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 1ubk h GLN 253 CO -0.05 0.90 -0.26 0.00 -1.50 0.00 0.00 178.83 177.92 1ubk h ARG 254 N 0.37 0.70 -0.77 1.46 2.47 -1.74 -0.96 114.38 115.92 1ubk h ARG 254 Ca 0.05 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.46 1ubk h ARG 254 Cb 0.75 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.00 1ubk h ARG 254 CO 0.05 0.88 0.39 0.82 0.56 0.00 0.00 179.97 182.67 1ubk h ILE 255 N 0.61 1.24 -0.57 2.04 2.04 -1.21 -0.43 117.51 121.23 1ubk h ILE 255 Ca 0.08 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 1ubk h ILE 255 Cb 0.75 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1ubk h ILE 255 CO 0.06 0.28 0.09 0.00 0.00 0.00 0.00 178.15 178.58 1ubk h ALA 256 N 1.20 1.09 -0.22 1.87 0.00 -0.55 0.29 119.26 122.94 1ubk h ALA 256 Ca 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ubk h ALA 256 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ubk h ALA 256 CO -0.04 0.59 0.02 1.49 0.00 0.00 0.00 179.25 181.32 1ubk h GLU 257 N 0.86 0.37 -0.23 0.00 4.81 -0.70 -0.86 114.58 118.82 1ubk h GLU 257 Ca 0.18 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1ubk h GLU 257 Cb 0.38 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1ubk h GLU 257 CO 0.01 0.53 0.05 0.35 -0.73 0.00 0.00 179.01 179.22 1ubk h PHE 258 N 0.15 0.08 -0.84 0.92 3.04 -0.89 -2.54 116.94 116.87 1ubk h PHE 258 Ca 0.06 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.05 1ubk h PHE 258 Cb 0.35 -0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.81 1ubk h PHE 258 CO 0.03 0.03 0.55 1.49 -2.02 0.00 0.00 178.31 178.38 1ubk h GLU 259 N 0.14 1.05 -0.69 1.11 4.81 -0.70 0.40 114.58 120.70 1ubk h GLU 259 Ca 0.11 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1ubk h GLU 259 Cb 0.10 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1ubk h GLU 259 CO -0.14 0.69 0.16 0.00 -0.73 0.00 0.00 179.01 179.00 1ubk h ALA 260 N 1.33 0.98 -0.41 2.92 0.00 -1.03 0.17 119.26 123.22 1ubk h ALA 260 Ca 0.32 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1ubk h ALA 260 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ubk h ALA 260 CO -0.10 0.66 -0.24 -0.07 0.00 0.00 0.00 179.25 179.50 1ubk h LEU 261 N 1.04 0.91 -0.45 0.00 3.38 -0.99 -2.49 115.31 116.71 1ubk h LEU 261 Ca 0.22 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1ubk h LEU 261 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ubk h LEU 261 CO 0.00 1.13 0.28 -0.25 0.09 0.00 0.00 178.44 179.69 1ubk h TRP 262 N 0.70 0.52 -0.50 1.13 7.01 -0.76 -0.80 115.95 123.25 1ubk h TRP 262 Ca 0.09 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 1ubk h TRP 262 Cb 0.81 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 1ubk h TRP 262 CO 0.06 0.31 -0.00 0.87 -2.79 0.00 0.00 178.44 176.88 1ubk h LYS 263 N 0.56 0.84 -0.24 2.65 1.57 -0.54 0.27 116.57 121.67 1ubk h LYS 263 Ca 0.18 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1ubk h LYS 263 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1ubk h LYS 263 CO -0.07 0.85 -0.48 1.49 -0.57 0.00 0.00 179.45 180.66 1ubk h GLU 264 N 0.78 0.64 -0.30 3.15 4.81 -1.28 -1.13 114.58 121.25 1ubk h GLU 264 Ca 0.15 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1ubk h GLU 264 Cb 0.47 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1ubk h GLU 264 CO 0.02 0.98 0.05 1.15 -0.73 0.00 0.00 179.01 180.48 1ubk h THR 265 N 0.51 1.23 -0.80 0.32 2.02 -0.58 -2.06 112.91 113.55 1ubk h THR 265 Ca 0.03 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.44 1ubk h THR 265 Cb 1.03 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.56 1ubk h THR 265 CO 0.10 0.26 0.50 0.50 0.37 0.00 0.00 175.52 177.25 1ubk h LYS 266 N 0.32 0.94 -0.97 6.66 3.64 -0.39 -0.34 116.57 126.43 1ubk h LYS 266 Ca 0.09 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1ubk h LYS 266 Cb 0.34 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1ubk h LYS 266 CO 0.01 0.62 0.64 0.00 -2.27 0.00 0.00 179.45 178.45 1ubk h ALA 267 N 1.34 1.32 -0.38 5.00 0.00 -0.98 0.74 119.26 126.30 1ubk h ALA 267 Ca 0.32 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1ubk h ALA 267 Cb 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1ubk h ALA 267 CO -0.12 0.63 -0.08 0.35 0.00 0.00 0.00 179.25 180.02 1ubk h PHE 268 N 1.30 0.81 -0.30 0.00 3.04 -0.60 0.88 116.94 122.08 1ubk h PHE 268 Ca 0.36 -0.17 0.05 0.00 3.98 0.00 0.00 57.97 62.18 1ubk h PHE 268 Cb -0.13 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.14 1ubk h PHE 268 CO -0.00 0.86 0.03 0.28 -2.02 0.00 0.00 178.31 177.47 1ubk h VAL 269 N 0.53 0.83 -0.00 1.41 2.07 -0.49 -0.01 116.25 120.59 1ubk h VAL 269 Ca 0.10 -0.05 -0.20 0.00 0.82 0.00 0.00 66.70 67.37 1ubk h VAL 269 Cb 0.59 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1ubk h VAL 269 CO 0.04 0.02 -0.88 0.44 0.02 0.00 0.00 177.57 177.21 1ubk h ASP 270 N 0.13 0.35 0.00 0.57 3.45 -0.69 -0.88 116.42 119.35 1ubk h ASP 270 Ca 0.14 -0.28 0.00 0.00 0.43 0.00 0.00 57.03 57.32 1ubk h ASP 270 Cb 0.17 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1ubk h ASP 270 CO -0.21 1.07 -1.12 -0.62 -1.57 0.00 0.00 179.24 176.79 1ubk n GLU 271 N -3.70 1.41 0.03 3.56 1.02 0.29 -4.47 120.64 118.78 1ubk n GLU 271 Ca -0.05 -0.06 -0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1ubk n GLU 271 Cb 0.80 -1.27 -0.00 0.00 -0.02 0.00 0.00 31.44 30.96 1ubk n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ubk n VAL 272 N -1.64 0.78 0.48 2.62 0.31 -0.13 -4.71 118.33 116.05 1ubk n VAL 272 Ca 0.00 0.26 -0.20 0.00 -0.01 0.00 0.00 64.34 64.40 1ubk n VAL 272 Cb 0.30 -1.37 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 1ubk n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1ubk h TYR 273 N -0.00 -1.13 -0.43 3.52 3.20 -1.26 -2.21 116.97 118.66 1ubk h TYR 273 Ca 0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1ubk h TYR 273 Cb 0.00 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1ubk h TYR 273 CO -0.00 -0.70 0.17 0.82 -1.64 0.00 0.00 178.16 176.81 1ubk h ILE 274 N -1.25 1.20 -0.96 1.81 1.08 -1.40 0.87 117.51 118.86 1ubk h ILE 274 Ca -0.12 -0.63 0.07 0.00 -0.39 0.00 0.00 64.86 63.78 1ubk h ILE 274 Cb 0.94 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 35.43 1ubk h ILE 274 CO 0.20 0.23 0.62 -0.65 -0.69 0.00 0.00 178.15 177.87 1ubk h PRO 275 N 0.55 1.07 -0.48 2.37 0.11 -1.78 -1.25 132.00 132.59 1ubk h PRO 275 Ca 0.14 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1ubk h PRO 275 Cb 0.20 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 1ubk h PRO 275 CO -0.01 0.70 0.00 -0.44 -0.21 0.00 0.00 178.00 178.05 1ubk h ASP 276 N 1.10 0.83 -0.67 -2.05 3.32 -0.87 -0.77 116.42 117.31 1ubk h ASP 276 Ca 0.42 -0.31 0.08 0.00 0.02 0.00 0.00 57.03 57.24 1ubk h ASP 276 Cb 0.21 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 1ubk h ASP 276 CO -0.17 0.93 0.34 0.25 -1.72 0.00 0.00 179.24 178.87 1ubk h LEU 277 N 0.70 0.46 -0.44 1.55 5.85 -0.37 -0.21 115.31 122.85 1ubk h LEU 277 Ca 0.14 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.74 1ubk h LEU 277 Cb 0.51 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1ubk h LEU 277 CO 0.02 0.28 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.88 1ubk h LEU 278 N 0.60 0.86 -0.33 2.25 4.07 -0.89 0.53 115.31 122.40 1ubk h LEU 278 Ca 0.31 -0.42 -0.06 0.00 0.08 0.00 0.00 57.88 57.80 1ubk h LEU 278 Cb 0.28 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1ubk h LEU 278 CO -0.23 1.18 -0.03 0.58 -1.08 0.00 0.00 178.44 178.86 1ubk h VAL 279 N 0.63 1.27 -0.52 1.22 2.07 -0.82 -0.76 116.25 119.34 1ubk h VAL 279 Ca 0.04 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 1ubk h VAL 279 Cb 1.03 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1ubk h VAL 279 CO 0.10 0.33 -0.05 0.58 0.02 0.00 0.00 177.57 178.56 1ubk h VAL 280 N 0.39 1.26 -0.90 2.57 2.07 -0.96 -2.57 116.25 118.11 1ubk h VAL 280 Ca 0.09 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1ubk h VAL 280 Cb 0.50 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1ubk h VAL 280 CO 0.02 0.40 0.49 0.00 0.02 0.00 0.00 177.57 178.51 1ubk h ALA 281 N 1.10 1.15 -0.60 1.67 0.00 -0.70 -1.88 119.26 120.01 1ubk h ALA 281 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ubk h ALA 281 Cb 0.56 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ubk h ALA 281 CO 0.03 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.18 1ubk h ALA 282 N 1.27 1.29 0.00 0.00 0.00 -0.98 -2.17 119.26 118.66 1ubk h ALA 282 Ca 0.32 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1ubk h ALA 282 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ubk h ALA 282 CO -0.05 0.53 -0.33 0.00 0.00 0.00 0.00 179.25 179.40 1ubk h ALA 283 N 1.40 0.88 -0.87 0.00 0.00 -0.98 -3.29 119.26 116.40 1ubk h ALA 283 Ca 0.20 -0.30 -0.59 0.00 0.00 0.00 0.00 54.91 54.22 1ubk h ALA 283 Cb 0.18 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.53 1ubk h ALA 283 CO -0.02 0.41 -0.30 0.66 0.00 0.00 0.00 179.25 180.00 1ubk n TYR 284 N -3.31 2.93 0.30 0.00 4.02 -0.77 -4.79 117.16 115.54 1ubk n TYR 284 Ca 0.01 -2.50 0.20 0.00 -0.01 0.00 0.00 57.90 55.60 1ubk n TYR 284 Cb 0.56 -0.66 1.00 0.00 -0.02 0.00 0.00 39.34 40.23 1ubk n TYR 284 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ubk h LYS 285 N 2.17 0.00 0.00 -0.72 1.57 -1.50 0.32 116.57 118.41 1ubk h LYS 285 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1ubk h LYS 285 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1ubk h LYS 285 CO 1.01 0.00 0.00 0.38 -0.57 0.00 0.00 179.45 180.27 1ubk h ASP 286 N 0.00 0.00 0.00 0.86 -0.00 -1.88 -2.18 116.42 113.22 1ubk h ASP 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ubk h ASP 286 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.43 1ubk h ASP 286 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 180.03 1ubk n TRP 287 N -2.49 0.00 0.92 4.15 7.02 0.10 -1.54 117.44 125.60 1ubk n TRP 287 Ca -0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.60 1ubk n TRP 287 Cb 0.14 0.00 0.55 0.00 -2.42 0.00 0.00 31.31 29.58 1ubk n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ubk n THR 288 N -0.82 0.26 0.96 -0.99 -2.24 -0.82 -2.39 114.28 108.25 1ubk n THR 288 Ca 0.13 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 1ubk n THR 288 Cb 0.06 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1ubk n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubk n GLN 289 N -1.47 1.33 -4.26 -0.78 1.13 -0.59 -4.70 117.38 108.04 1ubk n GLN 289 Ca 0.07 -1.03 -0.19 0.00 -1.94 0.00 0.00 57.00 53.91 1ubk n GLN 289 Cb 0.28 -1.45 -0.11 0.00 0.11 0.00 0.00 30.24 29.06 1ubk n GLN 289 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ubk s TYR 290 N -2.38 1.50 0.00 1.08 2.02 -1.24 -4.88 117.35 113.46 1ubk s TYR 290 Ca 0.18 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1ubk s TYR 290 Cb 0.18 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 1ubk s TYR 290 CO 0.54 0.18 0.00 0.41 -1.57 0.00 0.00 175.55 175.11 1ubk n GLY 291 N 0.56 0.55 3.86 0.71 0.00 -1.19 -0.42 105.19 109.27 1ubk n GLY 291 Ca -0.16 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1ubk n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubk s GLY 292 N -2.70 1.65 0.20 -0.02 0.00 -1.25 -3.74 107.32 101.46 1ubk s GLY 292 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.56 1ubk s GLY 292 CO 0.00 0.17 0.10 -0.51 0.00 0.00 0.00 173.10 172.86 1ubk s THR 293 N -3.21 0.20 -0.26 0.90 -4.23 -1.26 -4.15 115.64 103.62 1ubk s THR 293 Ca 0.57 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1ubk s THR 293 Cb -0.12 -2.43 -0.16 0.00 1.34 0.00 0.00 72.50 71.13 1ubk s THR 293 CO 0.53 -0.11 -0.22 0.47 -0.54 0.00 0.00 174.62 174.76 1ubk n ASP 294 N -0.29 1.98 -4.27 3.99 8.00 -1.26 -4.87 116.55 119.83 1ubk n ASP 294 Ca -0.00 0.06 -0.23 0.00 0.71 0.00 0.00 54.79 55.33 1ubk n ASP 294 Cb 0.66 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 41.04 1ubk n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ubk s ASN 295 N -6.90 2.41 -0.01 -2.24 0.01 -1.26 -0.82 114.94 106.14 1ubk s ASN 295 Ca -0.35 -0.69 0.00 0.00 -0.71 0.00 0.00 52.86 51.11 1ubk s ASN 295 Cb 0.11 -0.13 0.01 0.00 0.41 0.00 0.00 41.25 41.65 1ubk s ASN 295 CO 0.57 0.03 -0.00 -0.36 -1.51 0.00 0.00 177.10 175.83 1ubk s PHE 296 N -1.27 0.10 0.02 2.20 0.40 -0.09 -0.79 117.98 118.55 1ubk s PHE 296 Ca 0.06 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 1ubk s PHE 296 Cb -0.10 -0.12 -0.01 0.00 0.51 0.00 0.00 43.02 43.30 1ubk s PHE 296 CO 0.04 -0.03 -0.08 -1.50 0.70 0.00 0.00 175.22 174.36 1ubk s ILE 297 N 0.24 0.58 -0.03 0.64 2.07 -0.41 -0.78 121.20 123.52 1ubk s ILE 297 Ca -0.02 -0.63 -0.17 0.00 -1.41 0.00 0.00 60.65 58.41 1ubk s ILE 297 Cb -0.04 -0.55 0.03 0.00 0.13 0.00 0.00 42.46 42.03 1ubk s ILE 297 CO -0.01 -0.05 0.38 0.28 -1.91 0.00 0.00 174.94 173.63 1ubk s THR 298 N -0.65 0.04 -1.19 4.00 -1.32 -0.86 -4.35 115.64 111.31 1ubk s THR 298 Ca -0.02 -0.37 0.14 0.00 -1.21 0.00 0.00 61.69 60.23 1ubk s THR 298 Cb -0.06 -0.68 -0.03 0.00 -1.51 0.00 0.00 72.50 70.23 1ubk s THR 298 CO 0.00 -0.20 0.75 0.49 -2.21 0.00 0.00 174.62 173.45 1ubk n PHE 299 N 1.30 0.00 -0.01 9.09 0.99 -1.26 -1.60 117.46 125.96 1ubk n PHE 299 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.24 1ubk n PHE 299 Cb 0.56 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 39.04 1ubk n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ubk n GLY 300 N 1.13 -2.68 3.40 1.37 0.00 -1.25 -3.89 105.19 103.28 1ubk n GLY 300 Ca 0.05 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1ubk n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ubk s GLU 301 N -3.30 1.14 -0.10 1.61 2.56 -0.38 -3.41 118.70 116.83 1ubk s GLU 301 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.97 54.62 1ubk s GLU 301 Cb 0.00 0.52 -0.00 0.00 2.00 0.00 0.00 34.13 36.65 1ubk s GLU 301 CO 0.00 -0.45 0.09 1.19 -0.56 0.00 0.00 175.26 175.53 1ubk n PHE 302 N 0.04 -0.39 -2.38 5.30 3.01 -1.26 -1.46 117.46 120.32 1ubk n PHE 302 Ca -0.17 0.15 -0.34 0.00 1.01 0.00 0.00 57.45 58.09 1ubk n PHE 302 Cb 0.62 -1.86 -0.02 0.00 -0.01 0.00 0.00 39.48 38.22 1ubk n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ubk s PRO 303 N -3.00 3.60 -0.06 -1.08 0.04 -1.26 -1.98 135.00 131.25 1ubk s PRO 303 Ca 0.00 1.39 0.14 0.00 0.04 0.00 0.00 61.00 62.57 1ubk s PRO 303 Cb -0.00 -2.06 -0.23 0.00 0.04 0.00 0.00 34.50 32.25 1ubk s PRO 303 CO 0.10 -0.60 0.57 1.63 0.04 0.00 0.00 177.00 178.74 1ubk n LYS 304 N -1.25 0.64 -3.94 4.56 4.76 -1.09 -4.88 118.16 116.96 1ubk n LYS 304 Ca 0.10 0.24 -0.28 0.00 -2.87 0.00 0.00 58.31 55.50 1ubk n LYS 304 Cb 0.52 -1.75 -0.17 0.00 -1.84 0.00 0.00 35.03 31.80 1ubk n LYS 304 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ubk s ASP 305 N -5.97 2.38 0.35 4.39 3.68 -1.26 -5.01 116.67 115.23 1ubk s ASP 305 Ca -0.05 -0.38 0.25 0.00 2.13 0.00 0.00 52.55 54.49 1ubk s ASP 305 Cb 0.08 -0.94 1.26 0.00 -1.45 0.00 0.00 42.92 41.87 1ubk s ASP 305 CO 0.83 -0.11 1.77 -0.33 0.13 0.00 0.00 175.17 177.46 1ubk h GLU 306 N 8.14 0.00 -0.21 4.34 4.39 -1.96 -2.47 114.58 126.81 1ubk h GLU 306 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1ubk h GLU 306 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1ubk h GLU 306 CO 0.44 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.95 1ubk n TYR 307 N -2.38 0.27 -3.77 4.33 4.02 -1.26 -4.84 117.16 113.53 1ubk n TYR 307 Ca -0.01 -0.23 -0.29 0.00 -0.01 0.00 0.00 57.90 57.36 1ubk n TYR 307 Cb 0.10 -0.01 -0.15 0.00 -0.02 0.00 0.00 39.34 39.26 1ubk n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ubk s ASP 308 N -1.08 3.82 0.57 7.72 3.68 -0.93 -4.99 116.67 125.47 1ubk s ASP 308 Ca 0.22 -1.45 0.27 0.00 2.13 0.00 0.00 52.55 53.72 1ubk s ASP 308 Cb 0.13 -0.87 1.65 0.00 -1.45 0.00 0.00 42.92 42.37 1ubk s ASP 308 CO 0.18 -0.37 2.18 -0.07 0.13 0.00 0.00 175.17 177.22 1ubk h LEU 309 N 8.09 0.00 0.00 -1.34 3.38 -1.88 -1.13 115.31 122.43 1ubk h LEU 309 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ubk h LEU 309 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ubk h LEU 309 CO 0.44 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.56 1ubk n ASN 310 N -4.00 0.00 -0.31 -0.43 5.03 -1.26 -1.92 115.26 112.38 1ubk n ASN 310 Ca -0.01 -0.45 0.13 0.00 0.87 0.00 0.00 54.58 55.12 1ubk n ASN 310 Cb 0.18 -0.17 0.60 0.00 -1.02 0.00 0.00 39.78 39.37 1ubk n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ubk n SER 311 N -1.17 0.95 -4.84 6.41 3.41 -0.43 -4.94 113.62 113.01 1ubk n SER 311 Ca 0.17 -1.41 -0.32 0.00 -0.26 0.00 0.00 58.87 57.05 1ubk n SER 311 Cb 0.17 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1ubk n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ubk s ARG 312 N -1.95 4.02 0.26 4.33 0.52 -0.81 -2.66 118.95 122.67 1ubk s ARG 312 Ca 0.38 0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 56.34 1ubk s ARG 312 Cb 0.19 -2.32 0.32 0.00 0.52 0.00 0.00 34.95 33.67 1ubk s ARG 312 CO 0.31 0.02 1.91 0.35 0.02 0.00 0.00 175.30 177.91 1ubk h PHE 313 N 1.84 1.14 -3.05 -0.53 3.57 -0.60 -3.35 116.94 115.96 1ubk h PHE 313 Ca -0.48 -0.01 -0.64 0.00 3.53 0.00 0.00 57.97 60.37 1ubk h PHE 313 Cb 1.18 -0.37 -0.12 0.00 2.79 0.00 0.00 35.95 39.43 1ubk h PHE 313 CO 0.62 0.76 -0.52 -0.06 -2.23 0.00 0.00 178.31 176.88 1ubk s PHE 314 N -5.85 3.40 0.19 0.41 0.08 -0.94 -4.97 117.98 110.29 1ubk s PHE 314 Ca -0.12 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.25 1ubk s PHE 314 Cb 0.17 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1ubk s PHE 314 CO 0.81 0.45 0.36 0.15 -0.10 0.00 0.00 175.22 176.89 1ubk s LYS 315 N -0.34 3.49 0.89 0.44 1.02 -1.26 -1.25 119.74 122.74 1ubk s LYS 315 Ca 0.10 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 55.55 1ubk s LYS 315 Cb -0.12 -2.88 0.13 0.00 -0.52 0.00 0.00 37.83 34.44 1ubk s LYS 315 CO 0.01 0.44 1.09 -1.25 -0.92 0.00 0.00 175.35 174.73 1ubk s PRO 316 N -3.31 1.28 0.00 -1.68 0.04 -1.25 -3.95 135.00 126.13 1ubk s PRO 316 Ca 0.37 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1ubk s PRO 316 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1ubk s PRO 316 CO 0.29 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.52 1ubk n GLY 317 N -1.23 0.62 2.97 0.56 0.00 -0.63 -4.80 105.19 102.68 1ubk n GLY 317 Ca 0.07 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 1ubk n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubk s VAL 318 N -2.00 0.75 -0.04 1.61 1.01 -0.54 -2.02 120.40 119.17 1ubk s VAL 318 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1ubk s VAL 318 Cb 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1ubk s VAL 318 CO 0.00 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 174.55 1ubk s VAL 319 N 0.43 0.94 -0.01 2.92 1.01 0.04 -0.49 120.40 125.23 1ubk s VAL 319 Ca -0.07 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1ubk s VAL 319 Cb -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1ubk s VAL 319 CO 0.01 0.29 -0.11 -0.36 0.00 0.00 0.00 175.10 174.93 1ubk s PHE 320 N 0.33 2.78 -1.57 5.22 0.08 -1.26 -0.91 117.98 122.65 1ubk s PHE 320 Ca -0.06 -0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 1ubk s PHE 320 Cb -0.11 -1.60 0.10 0.00 -0.57 0.00 0.00 43.02 40.83 1ubk s PHE 320 CO 0.01 0.29 0.84 1.63 -0.10 0.00 0.00 175.22 177.90 1ubk n LYS 321 N 1.87 -4.47 -1.70 0.44 4.76 -0.82 -1.05 118.16 117.19 1ubk n LYS 321 Ca -0.16 0.50 -0.19 0.00 -2.87 0.00 0.00 58.31 55.59 1ubk n LYS 321 Cb 0.52 -5.24 -0.07 0.00 -1.84 0.00 0.00 35.03 28.40 1ubk n LYS 321 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ubk n ARG 322 N -4.53 -1.49 -2.68 1.97 1.74 0.00 -4.90 116.66 106.78 1ubk n ARG 322 Ca -0.00 1.07 -0.43 0.00 -0.77 0.00 0.00 57.85 57.71 1ubk n ARG 322 Cb 0.54 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.50 1ubk n ARG 322 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ubk n ASP 323 N -1.29 5.03 0.00 0.55 4.64 -0.22 -4.76 116.55 120.50 1ubk n ASP 323 Ca -0.19 -2.97 0.13 0.00 -1.38 0.00 0.00 54.79 50.38 1ubk n ASP 323 Cb 0.63 -1.62 0.59 0.00 -1.04 0.00 0.00 41.12 39.68 1ubk n ASP 323 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1ubk n PHE 324 N 6.27 0.00 0.29 -0.67 3.72 -1.26 -1.86 117.46 123.95 1ubk n PHE 324 Ca 0.42 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.95 1ubk n PHE 324 Cb 0.43 -0.46 0.31 0.00 -0.94 0.00 0.00 39.48 38.81 1ubk n PHE 324 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ubk h LYS 325 N 0.00 0.00 -2.23 -1.08 6.56 -1.94 -3.35 116.57 114.52 1ubk h LYS 325 Ca 0.00 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.00 1ubk h LYS 325 Cb 0.42 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 31.66 1ubk h LYS 325 CO 0.00 0.00 -0.63 0.09 -2.06 0.00 0.00 179.45 176.85 1ubk n ASN 326 N -2.96 4.02 -4.75 0.86 3.02 -0.78 -5.06 115.26 109.61 1ubk n ASN 326 Ca 0.04 -3.55 -0.41 0.00 -0.03 0.00 0.00 54.58 50.63 1ubk n ASN 326 Cb 0.47 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1ubk n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ubk s ILE 327 N -3.41 2.87 0.04 2.41 1.01 -1.26 -4.80 121.20 118.06 1ubk s ILE 327 Ca 0.44 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 61.85 1ubk s ILE 327 Cb 0.22 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1ubk s ILE 327 CO -0.07 0.14 0.19 -0.54 0.00 0.00 0.00 174.94 174.65 1ubk s LYS 328 N -0.68 3.38 0.65 2.79 -0.14 0.35 -4.92 119.74 121.17 1ubk s LYS 328 Ca 0.55 -0.43 -0.17 0.00 -1.36 0.00 0.00 55.97 54.57 1ubk s LYS 328 Cb -0.39 -3.02 -0.00 0.00 -1.68 0.00 0.00 37.83 32.73 1ubk s LYS 328 CO 0.44 0.63 1.20 -1.25 -0.76 0.00 0.00 175.35 175.60 1ubk s PRO 329 N -2.31 2.64 -0.29 -1.68 0.04 -1.26 -1.46 135.00 130.68 1ubk s PRO 329 Ca 0.32 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 1ubk s PRO 329 Cb -0.13 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ubk s PRO 329 CO 0.24 -1.45 0.85 0.12 0.04 0.00 0.00 177.00 176.81 1ubk s PHE 330 N -1.82 3.23 -0.36 0.56 5.36 -1.26 -4.64 117.98 119.04 1ubk s PHE 330 Ca 0.75 0.99 -0.09 0.00 -0.96 0.00 0.00 56.93 57.61 1ubk s PHE 330 Cb -0.29 -3.24 0.03 0.00 -0.34 0.00 0.00 43.02 39.18 1ubk s PHE 330 CO 0.39 -0.54 0.17 0.34 -1.46 0.00 0.00 175.22 174.11 1ubk s ASP 331 N 1.53 5.58 0.45 6.13 3.68 -1.26 -4.97 116.67 127.81 1ubk s ASP 331 Ca 0.35 -1.07 0.31 0.00 2.13 0.00 0.00 52.55 54.27 1ubk s ASP 331 Cb -0.14 -1.97 1.44 0.00 -1.45 0.00 0.00 42.92 40.80 1ubk s ASP 331 CO 0.11 -0.37 1.92 0.07 0.13 0.00 0.00 175.17 177.03 1ubk h LYS 332 N 8.36 0.00 -0.00 4.34 2.10 -2.00 -1.03 116.57 128.33 1ubk h LYS 332 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1ubk h LYS 332 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1ubk h LYS 332 CO 0.65 0.00 -0.01 -1.33 -2.00 0.00 0.00 179.45 176.76 1ubk n MET 333 N -2.67 0.40 -0.47 0.07 2.81 -1.26 -3.62 117.12 112.38 1ubk n MET 333 Ca -0.00 -0.01 0.08 0.00 -1.81 0.00 0.00 57.70 55.96 1ubk n MET 333 Cb 0.18 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.48 1ubk n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ubk n GLN 334 N -1.29 3.07 -3.09 0.03 1.13 -0.39 -4.87 117.38 111.97 1ubk n GLN 334 Ca 0.14 -2.34 -0.40 0.00 -1.94 0.00 0.00 57.00 52.46 1ubk n GLN 334 Cb 0.25 -1.71 -0.05 0.00 0.11 0.00 0.00 30.24 28.84 1ubk n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ubk s ILE 335 N -1.64 5.04 0.01 5.09 1.01 -1.24 -1.61 121.20 127.86 1ubk s ILE 335 Ca 0.42 1.31 0.03 0.00 0.00 0.00 0.00 60.65 62.41 1ubk s ILE 335 Cb 0.26 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 1ubk s ILE 335 CO 0.22 0.19 -0.09 -1.61 0.00 0.00 0.00 174.94 173.65 1ubk s GLU 336 N 1.30 0.68 -0.26 2.79 2.02 -0.55 -4.13 118.70 120.54 1ubk s GLU 336 Ca 0.33 -0.46 -0.08 0.00 0.02 0.00 0.00 54.97 54.79 1ubk s GLU 336 Cb -0.17 -0.63 -0.02 0.00 0.10 0.00 0.00 34.13 33.41 1ubk s GLU 336 CO 0.14 0.16 0.08 -1.21 0.02 0.00 0.00 175.26 174.45 1ubk s GLU 337 N -0.62 3.59 0.43 1.61 2.02 0.20 -0.66 118.70 125.28 1ubk s GLU 337 Ca 0.01 -0.53 -0.14 0.00 0.02 0.00 0.00 54.97 54.32 1ubk s GLU 337 Cb -0.05 -3.36 -0.08 0.00 0.10 0.00 0.00 34.13 30.74 1ubk s GLU 337 CO 0.00 -0.23 0.86 -1.01 0.02 0.00 0.00 175.26 174.90 1ubk s HIS 338 N 1.61 3.43 0.00 1.61 3.76 0.23 -1.82 115.29 124.11 1ubk s HIS 338 Ca 0.06 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 1ubk s HIS 338 Cb -0.15 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.91 1ubk s HIS 338 CO 0.04 -0.16 0.23 1.33 -0.85 0.00 0.00 174.74 175.32 1ubk n VAL 339 N -1.17 0.00 -0.07 -0.90 0.24 -1.26 -1.05 118.33 114.13 1ubk n VAL 339 Ca 0.04 -0.26 0.11 0.00 -2.04 0.00 0.00 64.34 62.20 1ubk n VAL 339 Cb 0.54 1.42 0.50 0.00 -1.47 0.00 0.00 33.84 34.82 1ubk n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ubk h ARG 340 N 0.00 0.40 -0.31 7.34 9.65 -1.76 -0.97 114.38 128.74 1ubk h ARG 340 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1ubk h ARG 340 Cb 0.21 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1ubk h ARG 340 CO 0.00 0.27 0.00 0.72 2.80 0.00 0.00 179.97 183.76 1ubk n HIS 341 N -4.47 1.11 -4.32 2.20 8.25 -1.26 -4.62 115.22 112.10 1ubk n HIS 341 Ca 0.09 -0.85 -0.24 0.00 -0.26 0.00 0.00 57.72 56.46 1ubk n HIS 341 Cb 0.33 -0.34 -0.08 0.00 1.12 0.00 0.00 29.99 31.02 1ubk n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ubk s SER 342 N -1.75 4.24 -1.45 0.41 0.01 -0.37 -1.65 113.70 113.15 1ubk s SER 342 Ca 0.44 -0.88 -0.08 0.00 1.31 0.00 0.00 55.95 56.74 1ubk s SER 342 Cb 0.35 -0.60 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1ubk s SER 342 CO 0.10 -0.14 2.70 0.79 0.41 0.00 0.00 173.24 177.10 1ubk n TRP 343 N -0.91 2.46 -4.26 2.43 8.01 -0.28 -4.82 117.44 120.06 1ubk n TRP 343 Ca -0.05 -2.93 -0.14 0.00 -1.31 0.00 0.00 57.50 53.07 1ubk n TRP 343 Cb 0.61 -2.16 -0.10 0.00 -2.01 0.00 0.00 31.31 27.65 1ubk n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1ubk s TYR 344 N 0.54 1.30 0.25 -5.99 1.51 -1.23 -0.46 117.35 113.27 1ubk s TYR 344 Ca 0.62 -0.91 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 1ubk s TYR 344 Cb 0.19 -0.72 -0.10 0.00 -0.11 0.00 0.00 41.96 41.21 1ubk s TYR 344 CO -0.08 -0.07 1.44 -1.21 -1.11 0.00 0.00 175.55 174.52 1ubk s GLU 345 N -3.84 4.26 2.30 -0.62 2.02 0.29 -4.62 118.70 118.49 1ubk s GLU 345 Ca 0.22 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.52 1ubk s GLU 345 Cb 0.05 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1ubk s GLU 345 CO 0.04 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1ubk n GLY 346 N 2.18 -1.14 0.00 -1.39 0.00 -1.26 -4.63 105.19 98.95 1ubk n GLY 346 Ca 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1ubk n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubk n ALA 347 N 2.79 0.87 -2.66 4.61 0.00 -1.26 -4.33 120.51 120.54 1ubk n ALA 347 Ca 0.00 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 52.64 1ubk n ALA 347 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ubk n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ubk s GLU 348 N 0.00 4.18 0.49 0.00 2.12 -1.26 -4.35 118.70 119.87 1ubk s GLU 348 Ca 0.00 0.45 -0.21 0.00 0.36 0.00 0.00 54.97 55.57 1ubk s GLU 348 Cb 0.00 -3.58 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 1ubk s GLU 348 CO 0.00 -0.20 1.09 0.00 -0.54 0.00 0.00 175.26 175.61 1ubk s ALA 349 N 1.80 2.86 -0.01 6.30 0.00 -1.26 -4.52 121.76 126.93 1ubk s ALA 349 Ca 0.25 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.97 1ubk s ALA 349 Cb -0.16 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1ubk s ALA 349 CO 0.10 -0.51 -0.04 1.03 0.00 0.00 0.00 175.76 176.34 1ubk s ARG 350 N -3.07 0.39 0.37 0.00 1.81 -0.76 -4.85 118.95 112.85 1ubk s ARG 350 Ca 0.67 -0.15 -0.28 0.00 -1.72 0.00 0.00 55.73 54.25 1ubk s ARG 350 Cb -0.22 -0.39 -0.11 0.00 -0.45 0.00 0.00 34.95 33.79 1ubk s ARG 350 CO 0.26 0.08 1.44 -1.58 -0.68 0.00 0.00 175.30 174.81 1ubk s HIS 351 N 0.01 2.68 0.49 -0.53 5.65 -1.26 -0.63 115.29 121.70 1ubk s HIS 351 Ca 0.00 1.23 0.36 0.00 0.25 0.00 0.00 55.06 56.91 1ubk s HIS 351 Cb -0.03 -3.94 1.90 0.00 -1.18 0.00 0.00 32.58 29.33 1ubk s HIS 351 CO -0.00 -2.73 2.21 -1.35 -0.65 0.00 0.00 174.74 172.22 1ubk h PRO 352 N 3.02 0.00 0.00 2.88 0.10 -1.95 0.13 132.00 136.18 1ubk h PRO 352 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.60 1ubk h PRO 352 Cb 1.24 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.34 1ubk h PRO 352 CO 0.64 0.03 0.00 0.91 0.10 0.00 0.00 178.00 179.68 1ubk n TRP 353 N -3.34 0.00 -1.76 0.65 8.01 -1.26 -1.94 117.44 117.80 1ubk n TRP 353 Ca -0.02 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.23 1ubk n TRP 353 Cb 0.16 -0.42 0.17 0.00 -2.01 0.00 0.00 31.31 29.21 1ubk n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ubk n LYS 354 N -1.42 1.26 -1.56 -0.99 5.02 0.39 -4.93 118.16 115.93 1ubk n LYS 354 Ca 0.06 -3.01 -0.31 0.00 -2.02 0.00 0.00 58.31 53.03 1ubk n LYS 354 Cb 0.18 -1.29 0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1ubk n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ubk s GLY 355 N -2.97 1.65 -0.01 0.72 0.00 -0.82 -4.68 107.32 101.21 1ubk s GLY 355 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1ubk s GLY 355 CO -0.09 0.34 -0.01 1.20 0.00 0.00 0.00 173.10 174.55 1ubk s GLN 356 N -5.08 0.13 -0.41 2.90 -0.21 -1.26 -5.03 119.66 110.70 1ubk s GLN 356 Ca 0.59 -0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.98 1ubk s GLN 356 Cb -0.14 -0.19 0.14 0.00 1.00 0.00 0.00 33.01 33.82 1ubk s GLN 356 CO 0.55 -0.01 0.23 0.99 -2.12 0.00 0.00 175.29 174.92 1ubk s THR 357 N 0.24 1.07 -0.59 -0.19 2.01 -1.26 -5.05 115.64 111.87 1ubk s THR 357 Ca -0.02 -2.30 0.04 0.00 0.31 0.00 0.00 61.69 59.72 1ubk s THR 357 Cb -0.04 -1.76 0.16 0.00 0.01 0.00 0.00 72.50 70.87 1ubk s THR 357 CO -0.01 -0.91 0.39 -1.10 -0.69 0.00 0.00 174.62 172.31 1ubk s GLN 358 N 0.58 2.00 0.37 4.92 -0.21 -1.26 -4.87 119.66 121.18 1ubk s GLN 358 Ca 0.17 -2.86 -0.28 0.00 0.02 0.00 0.00 55.36 52.42 1ubk s GLN 358 Cb -0.24 -2.99 -0.11 0.00 1.00 0.00 0.00 33.01 30.67 1ubk s GLN 358 CO -0.00 -1.25 1.49 -0.35 -2.12 0.00 0.00 175.29 173.06 1ubk n PRO 359 N 2.53 2.65 -3.27 2.91 -0.04 -1.26 -0.55 135.00 137.97 1ubk n PRO 359 Ca 0.17 0.93 -0.06 0.00 -0.04 0.00 0.00 63.50 64.49 1ubk n PRO 359 Cb 0.36 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.11 1ubk n PRO 359 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ubk s LYS 360 N -1.95 0.44 0.07 0.54 2.20 0.39 -4.65 119.74 116.79 1ubk s LYS 360 Ca 0.54 0.27 -0.24 0.00 -0.36 0.00 0.00 55.97 56.19 1ubk s LYS 360 Cb -0.48 -0.18 -0.06 0.00 -1.51 0.00 0.00 37.83 35.59 1ubk s LYS 360 CO 0.62 -0.99 0.72 -0.47 -0.36 0.00 0.00 175.35 174.87 1ubk s TYR 361 N 2.61 3.79 -0.01 4.03 5.04 -1.26 -3.56 117.35 127.99 1ubk s TYR 361 Ca 0.10 1.45 0.01 0.00 -2.44 0.00 0.00 57.07 56.19 1ubk s TYR 361 Cb -0.12 -2.73 0.01 0.00 0.35 0.00 0.00 41.96 39.47 1ubk s TYR 361 CO -0.28 0.39 0.85 0.25 -1.34 0.00 0.00 175.55 175.42 1ubk n THR 362 N 2.32 0.70 -0.84 4.34 -2.24 -1.26 -5.10 114.28 112.19 1ubk n THR 362 Ca -0.05 -0.72 0.11 0.00 -2.27 0.00 0.00 64.05 61.12 1ubk n THR 362 Cb 0.50 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1ubk n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ubk n ASP 363 N -0.37 -5.01 -4.63 3.42 4.64 -1.26 -3.53 116.55 109.80 1ubk n ASP 363 Ca 0.01 0.47 -0.43 0.00 -1.38 0.00 0.00 54.79 53.47 1ubk n ASP 363 Cb 0.36 -2.63 -0.03 0.00 -1.04 0.00 0.00 41.12 37.79 1ubk n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ubk s LEU 364 N -5.68 3.98 -0.02 -2.67 1.43 -1.26 -1.70 118.68 112.76 1ubk s LEU 364 Ca 0.00 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1ubk s LEU 364 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ubk s LEU 364 CO 0.00 -1.31 0.00 1.41 0.23 0.00 0.00 176.35 176.68 1ubk n HIS 365 N 8.73 0.00 -2.04 0.29 8.25 0.85 -4.98 115.22 126.31 1ubk n HIS 365 Ca 0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1ubk n HIS 365 Cb 0.44 -1.02 -0.03 0.00 1.12 0.00 0.00 29.99 30.49 1ubk n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ubk s GLY 366 N -2.02 1.73 -1.29 -1.41 0.00 -0.69 -1.84 107.32 101.79 1ubk s GLY 366 Ca 0.00 1.19 -0.09 0.00 0.00 0.00 0.00 44.72 45.82 1ubk s GLY 366 CO 0.00 2.59 0.48 1.34 0.00 0.00 0.00 173.10 177.51 1ubk n ASP 367 N 4.56 -3.86 -1.63 1.64 4.64 -1.26 -1.70 116.55 118.94 1ubk n ASP 367 Ca 0.14 -0.37 -0.16 0.00 -1.38 0.00 0.00 54.79 53.02 1ubk n ASP 367 Cb 0.41 -3.19 -0.02 0.00 -1.04 0.00 0.00 41.12 37.28 1ubk n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1ubk n ASP 368 N -2.29 -4.71 -4.46 1.67 4.64 -0.77 -4.94 116.55 105.69 1ubk n ASP 368 Ca -0.02 0.09 -0.33 0.00 -1.38 0.00 0.00 54.79 53.14 1ubk n ASP 368 Cb 0.55 -3.78 -0.13 0.00 -1.04 0.00 0.00 41.12 36.72 1ubk n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ubk s ARG 369 N -4.41 2.67 0.00 -0.67 0.52 -0.69 -4.44 118.95 111.94 1ubk s ARG 369 Ca 0.00 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1ubk s ARG 369 Cb 0.00 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.04 1ubk s ARG 369 CO 0.00 0.55 0.57 2.48 0.02 0.00 0.00 175.30 178.91 1ubk n TYR 370 N 2.54 0.00 -3.63 -0.53 4.11 -0.66 -0.11 117.16 118.88 1ubk n TYR 370 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.58 1ubk n TYR 370 Cb 0.52 0.10 -0.07 0.00 -0.00 0.00 0.00 39.34 39.90 1ubk n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1ubk s SER 371 N -0.31 -0.41 0.00 9.48 0.15 -1.24 -4.14 113.70 117.23 1ubk s SER 371 Ca 0.00 0.29 0.29 0.00 0.70 0.00 0.00 55.95 57.23 1ubk s SER 371 Cb 0.00 0.44 1.16 0.00 -1.71 0.00 0.00 66.02 65.91 1ubk s SER 371 CO 0.00 -0.59 1.86 0.79 1.20 0.00 0.00 173.24 176.50 1ubk n TRP 372 N 0.86 0.00 -2.79 3.44 7.02 -0.61 -1.13 117.44 124.23 1ubk n TRP 372 Ca -0.20 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 55.91 1ubk n TRP 372 Cb 0.58 -0.42 -0.06 0.00 -2.42 0.00 0.00 31.31 28.99 1ubk n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ubk s MET 373 N -2.92 4.62 0.97 -0.99 -1.94 -1.26 -4.79 119.30 112.99 1ubk s MET 373 Ca 0.16 1.34 -0.12 0.00 -1.71 0.00 0.00 55.69 55.36 1ubk s MET 373 Cb 0.19 -2.90 0.17 0.00 2.01 0.00 0.00 34.83 34.30 1ubk s MET 373 CO 0.54 0.33 1.10 0.15 -0.01 0.00 0.00 175.02 177.14 1ubk s LYS 374 N -1.88 0.70 -0.51 2.03 1.02 -1.26 -4.46 119.74 115.38 1ubk s LYS 374 Ca 0.48 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.98 1ubk s LYS 374 Cb -0.20 -1.77 0.13 0.00 -0.52 0.00 0.00 37.83 35.47 1ubk s LYS 374 CO 0.25 -2.54 0.26 0.00 -0.92 0.00 0.00 175.35 172.40 1ubk s ALA 375 N -3.04 3.29 0.27 5.17 0.00 -0.21 -4.25 121.76 122.99 1ubk s ALA 375 Ca 0.65 -3.13 -0.29 0.00 0.00 0.00 0.00 51.96 49.18 1ubk s ALA 375 Cb -0.17 -2.24 -0.10 0.00 0.00 0.00 0.00 23.12 20.61 1ubk s ALA 375 CO 0.56 -1.98 1.20 -2.14 0.00 0.00 0.00 175.76 173.41 1ubk s PRO 376 N -0.01 4.50 0.04 0.00 0.02 -1.26 -0.60 135.00 137.68 1ubk s PRO 376 Ca 0.16 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.19 1ubk s PRO 376 Cb -0.24 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.11 1ubk s PRO 376 CO -0.02 -0.01 -0.12 1.03 -0.33 0.00 0.00 177.00 177.55 1ubk s ARG 377 N -1.24 0.78 -0.21 5.54 1.81 0.17 -4.66 118.95 121.14 1ubk s ARG 377 Ca 0.48 -0.69 -0.02 0.00 -1.72 0.00 0.00 55.73 53.79 1ubk s ARG 377 Cb -0.35 -0.74 0.01 0.00 -0.45 0.00 0.00 34.95 33.41 1ubk s ARG 377 CO 0.44 0.18 -0.10 -0.47 -0.68 0.00 0.00 175.30 174.66 1ubk s TYR 378 N -0.88 2.90 -1.25 -0.53 6.14 -0.29 -1.48 117.35 121.96 1ubk s TYR 378 Ca -0.01 -1.28 -0.06 0.00 0.64 0.00 0.00 57.07 56.36 1ubk s TYR 378 Cb -0.08 -2.03 0.04 0.00 0.42 0.00 0.00 41.96 40.32 1ubk s TYR 378 CO 0.01 -0.67 0.37 -1.33 0.64 0.00 0.00 175.55 174.57 1ubk n MET 379 N 4.71 -3.29 -0.86 4.97 2.81 -0.64 -0.69 117.12 124.14 1ubk n MET 379 Ca -0.19 0.57 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1ubk n MET 379 Cb 0.50 -5.27 0.00 0.00 -0.71 0.00 0.00 33.22 27.74 1ubk n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubk n GLY 380 N -1.12 1.03 3.74 3.03 0.00 -1.26 -5.03 105.19 105.58 1ubk n GLY 380 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1ubk n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubk s GLU 381 N -0.10 2.75 0.09 1.61 0.41 0.14 -4.96 118.70 118.64 1ubk s GLU 381 Ca 0.00 -0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 53.52 1ubk s GLU 381 Cb 0.00 -2.66 -0.06 0.00 -1.78 0.00 0.00 34.13 29.64 1ubk s GLU 381 CO 0.00 0.56 1.09 -1.25 -0.49 0.00 0.00 175.26 175.17 1ubk s PRO 382 N -2.30 4.54 -0.12 0.39 0.04 -1.26 -1.13 135.00 135.16 1ubk s PRO 382 Ca 0.27 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1ubk s PRO 382 Cb -0.12 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1ubk s PRO 382 CO 0.20 -0.05 -0.18 -1.64 0.04 0.00 0.00 177.00 175.37 1ubk s MET 383 N 0.49 2.52 0.30 4.56 -1.94 -1.26 -4.46 119.30 119.50 1ubk s MET 383 Ca 0.53 -0.67 -0.29 0.00 -1.71 0.00 0.00 55.69 53.55 1ubk s MET 383 Cb -0.27 -2.10 -0.10 0.00 2.01 0.00 0.00 34.83 34.38 1ubk s MET 383 CO 0.31 -0.05 1.24 -2.00 -0.01 0.00 0.00 175.02 174.51 1ubk s GLU 384 N 0.94 4.45 0.29 2.03 2.12 0.03 -4.29 118.70 124.27 1ubk s GLU 384 Ca -0.06 2.06 0.03 0.00 0.36 0.00 0.00 54.97 57.36 1ubk s GLU 384 Cb -0.15 -3.13 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 1ubk s GLU 384 CO -0.02 -0.07 0.06 -0.08 -0.54 0.00 0.00 175.26 174.62 1ubk s THR 385 N -0.98 0.97 0.00 -1.70 -1.32 -1.26 -1.29 115.64 110.06 1ubk s THR 385 Ca 0.48 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 1ubk s THR 385 Cb -0.37 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.93 1ubk s THR 385 CO 0.47 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.45 1ubk n GLY 386 N -0.58 -0.03 0.29 6.08 0.00 -1.05 -4.69 105.19 105.20 1ubk n GLY 386 Ca -0.02 -2.26 0.02 0.00 0.00 0.00 0.00 46.02 43.77 1ubk n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubk h PRO 387 N 4.60 0.70 -0.62 1.61 0.11 -1.83 -0.15 132.00 136.43 1ubk h PRO 387 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1ubk h PRO 387 Cb 0.00 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 30.92 1ubk h PRO 387 CO 0.00 0.47 0.32 1.25 -0.21 0.00 0.00 178.00 179.83 1ubk h LEU 388 N 0.73 0.79 -0.49 2.35 5.85 -1.86 0.67 115.31 123.35 1ubk h LEU 388 Ca 0.38 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1ubk h LEU 388 Cb 0.37 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1ubk h LEU 388 CO -0.25 0.68 0.17 0.00 -0.34 0.00 0.00 178.44 178.69 1ubk h ALA 389 N 1.15 0.64 -0.33 1.25 0.00 -1.62 -0.39 119.26 119.95 1ubk h ALA 389 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ubk h ALA 389 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ubk h ALA 389 CO -0.03 0.28 0.12 0.37 0.00 0.00 0.00 179.25 179.98 1ubk h GLN 390 N 0.65 0.50 -0.06 0.00 4.15 -0.80 -1.23 115.11 118.31 1ubk h GLN 390 Ca 0.16 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1ubk h GLN 390 Cb 0.25 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1ubk h GLN 390 CO -0.01 0.51 -0.02 0.28 -1.93 0.00 0.00 178.83 177.67 1ubk h VAL 391 N 0.38 1.30 -0.63 2.39 2.07 -0.84 -0.88 116.25 120.03 1ubk h VAL 391 Ca 0.11 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 1ubk h VAL 391 Cb 0.21 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1ubk h VAL 391 CO -0.01 0.26 0.03 -0.07 0.02 0.00 0.00 177.57 177.80 1ubk h LEU 392 N -0.22 1.06 -0.26 2.57 3.38 -1.05 -0.20 115.31 120.60 1ubk h LEU 392 Ca 0.02 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 1ubk h LEU 392 Cb 0.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ubk h LEU 392 CO 0.01 1.09 -0.57 0.40 0.09 0.00 0.00 178.44 179.45 1ubk h ILE 393 N 1.00 1.28 -0.57 1.22 2.04 -1.23 -1.54 117.51 119.71 1ubk h ILE 393 Ca 0.18 -1.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.19 1ubk h ILE 393 Cb 0.53 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1ubk h ILE 393 CO 0.03 0.57 -0.02 0.00 0.00 0.00 0.00 178.15 178.73 1ubk h ALA 394 N 0.65 0.89 -0.15 1.87 0.00 -0.95 -1.00 119.26 120.56 1ubk h ALA 394 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1ubk h ALA 394 Cb 1.19 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1ubk h ALA 394 CO 0.13 0.65 -0.25 -0.92 0.00 0.00 0.00 179.25 178.86 1ubk h TYR 395 N 0.91 -0.66 0.00 0.00 3.20 -0.94 -1.25 116.97 118.23 1ubk h TYR 395 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1ubk h TYR 395 Cb 0.56 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1ubk h TYR 395 CO 0.04 -0.33 0.00 0.77 -1.64 0.00 0.00 178.16 177.00 1ubk h SER 396 N -0.30 0.00 0.15 -2.11 0.02 -0.72 -0.91 113.55 109.68 1ubk h SER 396 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1ubk h SER 396 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1ubk h SER 396 CO -0.32 0.00 -0.10 0.00 -1.14 0.00 0.00 176.83 175.26 1ubk n GLN 397 N -2.40 1.12 -1.03 3.45 6.02 -0.43 -4.95 117.38 119.16 1ubk n GLN 397 Ca 0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 1ubk n GLN 397 Cb 0.22 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1ubk n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubk n GLY 398 N 1.23 0.57 3.64 1.08 0.00 -0.34 -4.99 105.19 106.37 1ubk n GLY 398 Ca 0.16 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1ubk n GLY 398 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubk s HIS 399 N -2.00 1.32 0.26 1.61 5.04 -0.54 -4.86 115.29 116.13 1ubk s HIS 399 Ca 0.00 0.00 0.06 0.00 -1.54 0.00 0.00 55.06 53.58 1ubk s HIS 399 Cb 0.00 -4.10 0.34 0.00 0.04 0.00 0.00 32.58 28.86 1ubk s HIS 399 CO 0.00 -4.77 1.62 -1.00 -2.34 0.00 0.00 174.74 168.25 1ubk h PRO 400 N 12.21 0.21 -0.22 2.88 0.13 -1.94 0.19 132.00 145.46 1ubk h PRO 400 Ca -0.45 -0.13 -0.14 0.00 -0.87 0.00 0.00 66.00 64.42 1ubk h PRO 400 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ubk h PRO 400 CO 0.95 0.69 -0.41 0.87 -0.23 0.00 0.00 178.00 179.88 1ubk h LYS 401 N 0.16 0.66 -0.77 0.86 1.79 -1.99 -1.33 116.57 115.96 1ubk h LYS 401 Ca 0.00 -0.42 -0.03 0.00 -2.18 0.00 0.00 60.65 58.01 1ubk h LYS 401 Cb 1.00 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 1ubk h LYS 401 CO 0.08 1.04 0.34 0.28 -1.08 0.00 0.00 179.45 180.11 1ubk h VAL 402 N 0.36 1.25 -0.52 0.50 2.07 -1.90 -2.21 116.25 115.80 1ubk h VAL 402 Ca 0.01 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1ubk h VAL 402 Cb 1.01 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ubk h VAL 402 CO 0.09 0.31 0.16 0.50 0.02 0.00 0.00 177.57 178.65 1ubk h LYS 403 N 1.09 0.81 -0.14 1.57 3.64 -0.86 -0.56 116.57 122.12 1ubk h LYS 403 Ca 0.26 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1ubk h LYS 403 Cb 0.16 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ubk h LYS 403 CO -0.03 0.76 0.08 0.00 -2.27 0.00 0.00 179.45 177.99 1ubk h ALA 404 N 1.02 0.18 -0.20 5.00 0.00 -0.99 -0.28 119.26 123.99 1ubk h ALA 404 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ubk h ALA 404 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ubk h ALA 404 CO -0.00 -0.30 -0.13 0.28 0.00 0.00 0.00 179.25 179.10 1ubk h VAL 405 N 0.13 1.32 -0.43 0.00 2.07 -1.35 -2.24 116.25 115.75 1ubk h VAL 405 Ca 0.05 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1ubk h VAL 405 Cb 0.06 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1ubk h VAL 405 CO -0.01 0.37 0.13 0.74 0.02 0.00 0.00 177.57 178.82 1ubk h THR 406 N 0.12 1.22 -0.93 2.57 2.02 -0.99 -0.72 112.91 116.20 1ubk h THR 406 Ca 0.04 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.52 1ubk h THR 406 Cb 0.63 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1ubk h THR 406 CO 0.04 0.26 0.61 0.44 0.37 0.00 0.00 175.52 177.24 1ubk h ASP 407 N 0.56 0.99 -0.19 4.18 3.32 -1.03 -0.12 116.42 124.13 1ubk h ASP 407 Ca 0.14 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 1ubk h ASP 407 Cb 0.27 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1ubk h ASP 407 CO -0.00 0.67 -0.45 0.00 -1.72 0.00 0.00 179.24 177.74 1ubk h ALA 408 N 1.47 0.66 -0.39 3.45 0.00 -0.85 -0.07 119.26 123.52 1ubk h ALA 408 Ca 0.37 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ubk h ALA 408 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ubk h ALA 408 CO -0.12 0.67 0.20 0.28 0.00 0.00 0.00 179.25 180.28 1ubk h VAL 409 N 0.60 1.17 -0.55 0.00 2.07 -0.67 -0.61 116.25 118.26 1ubk h VAL 409 Ca 0.04 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1ubk h VAL 409 Cb 1.01 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1ubk h VAL 409 CO 0.10 0.18 0.10 -0.07 0.02 0.00 0.00 177.57 177.90 1ubk h LEU 410 N 0.50 0.86 -0.58 2.57 4.07 -0.68 -1.77 115.31 120.27 1ubk h LEU 410 Ca 0.14 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 1ubk h LEU 410 Cb 0.10 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1ubk h LEU 410 CO -0.02 0.89 0.19 0.00 -1.08 0.00 0.00 178.44 178.42 1ubk h ALA 411 N 1.00 0.76 -0.71 1.53 0.00 -0.91 -0.09 119.26 120.84 1ubk h ALA 411 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ubk h ALA 411 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ubk h ALA 411 CO 0.01 0.42 0.41 -0.22 0.00 0.00 0.00 179.25 179.87 1ubk h LYS 412 N 0.82 0.97 0.00 0.00 1.63 -0.69 -2.60 116.57 116.70 1ubk h LYS 412 Ca 0.19 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1ubk h LYS 412 Cb 0.27 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1ubk h LYS 412 CO -0.01 0.70 -0.15 -0.07 -3.45 0.00 0.00 179.45 176.47 1ubk h LEU 413 N 0.98 0.00 -0.98 5.20 3.38 -0.92 -3.48 115.31 119.50 1ubk h LEU 413 Ca 0.25 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.93 1ubk h LEU 413 Cb -0.01 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.83 1ubk h LEU 413 CO -0.04 0.02 -0.43 0.61 0.09 0.00 0.00 178.44 178.69 1ubk n GLY 414 N 1.30 0.01 3.32 0.83 0.00 -0.08 -5.01 105.19 105.56 1ubk n GLY 414 Ca 0.05 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1ubk n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubk s VAL 415 N -3.20 1.50 0.79 1.61 -7.23 -1.04 -5.06 120.40 107.76 1ubk s VAL 415 Ca 0.34 -2.14 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 1ubk s VAL 415 Cb -0.15 -2.06 0.12 0.00 0.56 0.00 0.00 36.38 34.85 1ubk s VAL 415 CO 0.46 -0.58 1.11 -0.83 -0.31 0.00 0.00 175.10 174.94 1ubk s GLY 416 N -3.29 1.73 0.51 2.32 0.00 -1.26 -4.61 107.32 102.73 1ubk s GLY 416 Ca 0.22 -1.20 0.21 0.00 0.00 0.00 0.00 44.72 43.95 1ubk s GLY 416 CO 0.06 -0.64 2.11 -0.56 0.00 0.00 0.00 173.10 174.06 1ubk h PRO 417 N -0.91 0.00 0.00 2.90 0.13 -2.01 -0.81 132.00 131.30 1ubk h PRO 417 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1ubk h PRO 417 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ubk h PRO 417 CO 0.49 0.08 -0.06 0.93 -0.23 0.00 0.00 178.00 179.21 1ubk h GLU 418 N 0.00 0.00 0.00 0.86 3.07 -2.00 -1.04 114.58 115.47 1ubk h GLU 418 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ubk h GLU 418 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1ubk h GLU 418 CO 0.01 0.06 0.00 0.00 -1.40 0.00 0.00 179.01 177.68 1ubk h ALA 419 N 1.94 1.00 0.00 3.43 0.00 -1.48 -2.43 119.26 121.72 1ubk h ALA 419 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubk h ALA 419 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ubk h ALA 419 CO 0.01 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 1ubk h LEU 420 N 0.00 0.00 -6.20 0.00 3.38 -1.37 -3.31 115.31 107.81 1ubk h LEU 420 Ca 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 1ubk h LEU 420 Cb 0.24 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.87 1ubk h LEU 420 CO 0.00 0.00 2.38 0.49 0.09 0.00 0.00 178.44 181.40 1ubk n PHE 421 N -2.83 2.98 -3.70 1.13 3.72 -0.91 -3.88 117.46 113.97 1ubk n PHE 421 Ca 0.02 -2.84 -0.02 0.00 -0.05 0.00 0.00 57.45 54.56 1ubk n PHE 421 Cb 0.36 -2.08 -0.01 0.00 -0.94 0.00 0.00 39.48 36.81 1ubk n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ubk s SER 422 N 1.31 -0.15 0.22 4.37 1.04 -1.26 -3.83 113.70 115.40 1ubk s SER 422 Ca 0.44 -0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 1ubk s SER 422 Cb 0.12 0.38 0.23 0.00 0.10 0.00 0.00 66.02 66.85 1ubk s SER 422 CO -0.03 -0.70 1.87 0.74 0.98 0.00 0.00 173.24 176.11 1ubk h THR 423 N 2.00 1.13 -0.43 2.02 2.02 -0.82 0.13 112.91 118.96 1ubk h THR 423 Ca -0.25 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1ubk h THR 423 Cb 1.22 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1ubk h THR 423 CO 0.27 0.18 0.13 0.25 0.37 0.00 0.00 175.52 176.72 1ubk h LEU 424 N 1.01 0.63 -0.93 2.58 6.46 -1.71 -2.13 115.31 121.22 1ubk h LEU 424 Ca 0.32 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1ubk h LEU 424 Cb -0.00 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 1ubk h LEU 424 CO -0.11 0.67 0.47 1.23 -0.62 0.00 0.00 178.44 180.08 1ubk h GLY 425 N 0.55 1.31 1.08 3.75 0.00 -1.50 0.06 103.07 108.31 1ubk h GLY 425 Ca 0.14 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1ubk h GLY 425 CO -0.00 0.58 0.01 -0.09 0.00 0.00 0.00 176.54 177.03 1ubk h ARG 426 N 1.23 1.06 -0.59 4.80 2.43 -0.58 0.99 114.38 123.72 1ubk h ARG 426 Ca 0.31 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1ubk h ARG 426 Cb 0.04 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1ubk h ARG 426 CO -0.05 1.03 0.29 1.15 -1.51 0.00 0.00 179.97 180.88 1ubk h THR 427 N 0.96 1.21 -0.75 0.20 2.02 -1.05 -1.87 112.91 113.62 1ubk h THR 427 Ca 0.17 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1ubk h THR 427 Cb 0.55 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1ubk h THR 427 CO 0.03 0.24 0.39 0.00 0.37 0.00 0.00 175.52 176.54 1ubk h ALA 428 N 1.12 0.96 -0.36 6.16 0.00 -0.64 -2.82 119.26 123.69 1ubk h ALA 428 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ubk h ALA 428 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ubk h ALA 428 CO -0.03 0.50 0.07 0.00 0.00 0.00 0.00 179.25 179.79 1ubk h ALA 429 N 1.20 1.46 -0.75 0.00 0.00 -0.45 0.23 119.26 120.95 1ubk h ALA 429 Ca 0.26 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ubk h ALA 429 Cb 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ubk h ALA 429 CO -0.04 0.39 0.48 -0.09 0.00 0.00 0.00 179.25 180.00 1ubk h ARG 430 N 0.52 0.93 -0.42 0.00 2.43 -1.10 0.89 114.38 117.62 1ubk h ARG 430 Ca 0.12 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 1ubk h ARG 430 Cb 0.22 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1ubk h ARG 430 CO -0.00 0.62 -0.16 0.78 -1.51 0.00 0.00 179.97 179.69 1ubk h GLY 431 N 0.96 0.93 0.54 2.80 0.00 -1.15 -1.59 103.07 105.56 1ubk h GLY 431 Ca 0.29 -0.81 0.05 0.00 0.00 0.00 0.00 47.33 46.87 1ubk h GLY 431 CO -0.09 0.73 0.00 -2.22 0.00 0.00 0.00 176.54 174.96 1ubk h ILE 432 N 0.68 0.79 -0.34 2.60 2.04 -0.57 -0.41 117.51 122.30 1ubk h ILE 432 Ca 0.10 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 1ubk h ILE 432 Cb 0.71 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1ubk h ILE 432 CO 0.05 0.02 -0.09 -0.08 0.00 0.00 0.00 178.15 178.05 1ubk h GLU 433 N 0.09 0.57 -0.47 2.37 4.81 -0.77 -1.25 114.58 119.92 1ubk h GLU 433 Ca 0.14 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ubk h GLU 433 Cb 0.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1ubk h GLU 433 CO -0.24 0.66 0.29 1.15 -0.73 0.00 0.00 179.01 180.15 1ubk h THR 434 N 0.53 1.14 -0.47 0.32 2.02 -0.47 0.69 112.91 116.67 1ubk h THR 434 Ca 0.10 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1ubk h THR 434 Cb 0.48 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1ubk h THR 434 CO 0.03 0.14 0.25 0.00 0.37 0.00 0.00 175.52 176.31 1ubk h ALA 435 N 1.14 0.61 -0.37 6.16 0.00 -0.65 0.78 119.26 126.93 1ubk h ALA 435 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ubk h ALA 435 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ubk h ALA 435 CO -0.03 0.15 -0.04 0.28 0.00 0.00 0.00 179.25 179.60 1ubk h VAL 436 N 0.63 1.27 -0.38 0.00 2.07 -1.05 -2.42 116.25 116.37 1ubk h VAL 436 Ca 0.17 -1.07 -0.14 0.00 0.82 0.00 0.00 66.70 66.48 1ubk h VAL 436 Cb 0.07 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1ubk h VAL 436 CO -0.02 0.36 -0.31 0.40 0.02 0.00 0.00 177.57 178.01 1ubk h ILE 437 N 0.49 1.28 -0.81 4.57 2.04 -0.75 -0.67 117.51 123.67 1ubk h ILE 437 Ca 0.10 -1.46 0.08 0.00 1.00 0.00 0.00 64.86 64.59 1ubk h ILE 437 Cb 0.53 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1ubk h ILE 437 CO 0.03 0.49 0.47 0.00 0.00 0.00 0.00 178.15 179.13 1ubk h ALA 438 N 0.96 1.13 -0.31 1.87 0.00 -0.67 0.97 119.26 123.21 1ubk h ALA 438 Ca 0.08 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1ubk h ALA 438 Cb 0.85 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ubk h ALA 438 CO 0.07 0.12 -0.40 1.49 0.00 0.00 0.00 179.25 180.53 1ubk h GLU 439 N 0.80 0.82 0.00 0.00 4.81 -1.15 -3.19 114.58 116.68 1ubk h GLU 439 Ca 0.38 -0.47 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1ubk h GLU 439 Cb 0.31 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ubk h GLU 439 CO -0.23 1.10 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.90 1ubk h TYR 440 N 0.60 0.00 -0.90 0.92 3.20 -0.28 -1.62 116.97 118.89 1ubk h TYR 440 Ca 0.04 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.03 1ubk h TYR 440 Cb 1.00 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.20 1ubk h TYR 440 CO 0.07 0.34 0.58 0.28 -1.64 0.00 0.00 178.16 177.79 1ubk h VAL 441 N 0.00 0.89 -0.24 1.81 2.07 -0.82 -0.62 116.25 119.34 1ubk h VAL 441 Ca -0.00 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1ubk h VAL 441 Cb 0.61 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ubk h VAL 441 CO 0.04 0.14 -0.30 1.23 0.02 0.00 0.00 177.57 178.71 1ubk h GLY 442 N 0.78 0.52 0.86 2.17 0.00 -1.39 -0.10 103.07 105.91 1ubk h GLY 442 Ca 0.44 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1ubk h GLY 442 CO -0.20 0.41 0.01 -2.08 0.00 0.00 0.00 176.54 174.68 1ubk h VAL 443 N 0.41 1.25 -0.79 4.60 2.07 -1.23 -1.28 116.25 121.28 1ubk h VAL 443 Ca 0.05 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1ubk h VAL 443 Cb 0.73 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1ubk h VAL 443 CO 0.06 0.27 0.49 0.24 0.02 0.00 0.00 177.57 178.65 1ubk h MET 444 N 0.23 1.07 -0.68 1.57 2.86 -1.01 -0.27 114.93 118.69 1ubk h MET 444 Ca 0.07 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1ubk h MET 444 Cb 0.39 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1ubk h MET 444 CO 0.01 0.74 0.28 1.25 1.06 0.00 0.00 176.91 180.25 1ubk h LEU 445 N 1.08 0.94 -0.58 1.22 6.46 -0.89 0.46 115.31 124.01 1ubk h LEU 445 Ca 0.28 -0.17 -0.07 0.00 -0.12 0.00 0.00 57.88 57.81 1ubk h LEU 445 Cb -0.06 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 1ubk h LEU 445 CO -0.06 0.85 0.10 -0.61 -0.62 0.00 0.00 178.44 178.10 1ubk h GLN 446 N 0.97 0.96 -0.51 1.25 5.75 -0.85 -0.11 115.11 122.57 1ubk h GLN 446 Ca 0.23 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1ubk h GLN 446 Cb 0.20 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1ubk h GLN 446 CO -0.02 0.91 0.23 0.93 -2.65 0.00 0.00 178.83 178.23 1ubk h GLU 447 N 0.86 0.72 0.03 1.69 5.08 -0.60 0.57 114.58 122.92 1ubk h GLU 447 Ca 0.18 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ubk h GLU 447 Cb 0.42 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ubk h GLU 447 CO 0.01 0.57 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.66 1ubk h TYR 448 N 0.71 -0.04 -0.73 4.33 -0.00 -0.68 -1.03 116.97 119.54 1ubk h TYR 448 Ca 0.18 -0.00 0.08 0.00 -0.00 0.00 0.00 58.73 58.99 1ubk h TYR 448 Cb 0.11 0.01 -0.07 0.00 -0.00 0.00 0.00 36.73 36.78 1ubk h TYR 448 CO 0.01 0.22 0.39 0.87 -0.00 0.00 0.00 178.16 179.64 1ubk h LYS 449 N -0.30 0.65 -0.59 1.82 1.57 -0.69 -1.37 116.57 117.65 1ubk h LYS 449 Ca -0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1ubk h LYS 449 Cb 0.28 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1ubk h LYS 449 CO 0.01 0.43 0.18 -0.44 -0.57 0.00 0.00 179.45 179.05 1ubk h ASP 450 N 0.67 0.83 -0.47 0.86 3.45 -0.69 -1.17 116.42 119.90 1ubk h ASP 450 Ca 0.35 -0.14 -0.09 0.00 0.43 0.00 0.00 57.03 57.58 1ubk h ASP 450 Cb 0.32 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 1ubk h ASP 450 CO -0.24 0.79 -0.05 -1.13 -1.57 0.00 0.00 179.24 177.04 1ubk h ASN 451 N 0.87 0.86 -0.84 6.45 -0.00 -0.24 -1.85 115.58 120.83 1ubk h ASN 451 Ca 0.20 -0.33 0.00 0.00 -0.00 0.00 0.00 56.30 56.16 1ubk h ASN 451 Cb 0.26 -0.23 -0.04 0.00 -0.00 0.00 0.00 38.32 38.31 1ubk h ASN 451 CO -0.01 0.99 0.52 0.40 -0.00 0.00 0.00 177.43 179.33 1ubk h ILE 452 N 0.71 1.23 0.00 2.57 2.04 -0.97 -2.24 117.51 120.85 1ubk h ILE 452 Ca 0.13 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1ubk h ILE 452 Cb 0.58 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1ubk h ILE 452 CO 0.03 0.23 -0.09 0.00 0.00 0.00 0.00 178.15 178.33 1ubk h ALA 453 N 1.28 1.08 0.00 1.87 0.00 -0.87 0.71 119.26 123.34 1ubk h ALA 453 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ubk h ALA 453 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ubk h ALA 453 CO -0.06 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.93 1ubk n LYS 454 N -3.31 0.18 -0.21 0.00 5.02 -0.73 -4.89 118.16 114.22 1ubk n LYS 454 Ca -0.01 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1ubk n LYS 454 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1ubk n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubk n GLY 455 N 0.36 0.89 3.53 0.72 0.00 0.24 -5.05 105.19 105.89 1ubk n GLY 455 Ca 0.08 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1ubk n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubk s ASP 456 N -2.01 6.37 -0.14 1.61 2.15 -1.07 -4.84 116.67 118.74 1ubk s ASP 456 Ca 0.00 -0.28 0.16 0.00 0.43 0.00 0.00 52.55 52.86 1ubk s ASP 456 Cb 0.00 -2.42 0.42 0.00 -0.30 0.00 0.00 42.92 40.62 1ubk s ASP 456 CO 0.00 -1.12 1.31 -0.46 -0.17 0.00 0.00 175.17 174.73 1ubk n ASN 457 N 7.19 3.30 -4.76 -0.34 2.04 -1.26 -4.19 115.26 117.24 1ubk n ASN 457 Ca 0.02 -2.89 -0.39 0.00 -0.44 0.00 0.00 54.58 50.87 1ubk n ASN 457 Cb 0.48 -0.46 -0.06 0.00 -2.53 0.00 0.00 39.78 37.21 1ubk n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ubk s VAL 458 N -2.59 4.88 0.00 3.53 1.01 -1.26 -4.97 120.40 121.01 1ubk s VAL 458 Ca 0.36 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1ubk s VAL 458 Cb 0.29 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1ubk s VAL 458 CO 0.08 0.41 0.00 2.30 0.00 0.00 0.00 175.10 177.88 1ubk n ILE 459 N 2.75 0.00 -3.88 2.22 -5.35 -1.26 -4.19 119.36 109.65 1ubk n ILE 459 Ca -0.06 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 62.05 1ubk n ILE 459 Cb 0.51 0.90 -0.12 0.00 -1.74 0.00 0.00 39.64 39.19 1ubk n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubk s ALA 461 N -0.49 2.77 0.64 0.00 0.00 -0.23 -4.90 121.76 119.54 1ubk s ALA 461 Ca -0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.51 1ubk s ALA 461 Cb -0.04 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1ubk s ALA 461 CO 0.00 0.61 1.05 -1.25 0.00 0.00 0.00 175.76 176.16 1ubk s PRO 462 N -1.99 3.23 0.26 0.00 0.04 -1.26 -4.54 135.00 130.74 1ubk s PRO 462 Ca 0.18 1.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.03 1ubk s PRO 462 Cb -0.11 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1ubk s PRO 462 CO 0.10 -0.87 0.67 1.67 0.04 0.00 0.00 177.00 178.61 1ubk s TRP 463 N -2.84 -0.15 -0.02 0.56 1.48 -1.26 -4.95 118.94 111.76 1ubk s TRP 463 Ca 0.59 -0.26 0.04 0.00 -1.06 0.00 0.00 56.10 55.40 1ubk s TRP 463 Cb -0.14 0.61 -0.01 0.00 -1.16 0.00 0.00 33.47 32.78 1ubk s TRP 463 CO 0.47 -1.15 -0.12 -1.21 -4.06 0.00 0.00 176.95 170.88 1ubk s GLU 464 N -3.91 1.05 -0.15 3.25 2.02 -1.26 -5.12 118.70 114.58 1ubk s GLU 464 Ca 0.11 -0.42 -0.29 0.00 0.02 0.00 0.00 54.97 54.39 1ubk s GLU 464 Cb -0.05 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.18 1ubk s GLU 464 CO 0.05 0.23 1.18 1.41 0.02 0.00 0.00 175.26 178.15 1ubk s MET 465 N -0.15 4.28 0.53 1.61 -2.45 -1.26 -4.86 119.30 117.00 1ubk s MET 465 Ca 0.02 1.58 -0.18 0.00 -1.25 0.00 0.00 55.69 55.86 1ubk s MET 465 Cb -0.06 -3.67 -0.06 0.00 1.25 0.00 0.00 34.83 32.28 1ubk s MET 465 CO -0.00 -0.60 1.05 -1.25 1.05 0.00 0.00 175.02 175.27 1ubk s PRO 466 N 3.01 3.60 0.17 4.11 0.04 -1.26 -4.97 135.00 139.70 1ubk s PRO 466 Ca 0.52 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1ubk s PRO 466 Cb -0.21 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.31 1ubk s PRO 466 CO 0.15 -0.59 1.43 0.87 0.04 0.00 0.00 177.00 178.90 1ubk h LYS 467 N 1.08 0.44 -4.55 4.56 1.79 -1.93 -3.36 116.57 114.59 1ubk h LYS 467 Ca -0.48 -0.35 -0.44 0.00 -2.18 0.00 0.00 60.65 57.19 1ubk h LYS 467 Cb 1.22 0.07 -0.32 0.00 -1.58 0.00 0.00 32.23 31.63 1ubk h LYS 467 CO 0.58 0.99 -0.79 -0.65 -1.08 0.00 0.00 179.45 178.50 1ubk s GLN 468 N -3.64 1.07 0.00 3.15 -0.21 -1.26 -0.77 119.66 118.01 1ubk s GLN 468 Ca -0.06 -0.31 -0.28 0.00 0.02 0.00 0.00 55.36 54.73 1ubk s GLN 468 Cb 0.10 -0.98 0.10 0.00 1.00 0.00 0.00 33.01 33.23 1ubk s GLN 468 CO 0.84 0.08 0.86 0.00 -2.12 0.00 0.00 175.29 174.96 1ubk s ALA 469 N 0.33 -1.80 0.02 6.09 0.00 -0.87 -4.97 121.76 120.56 1ubk s ALA 469 Ca -0.06 0.99 0.07 0.00 0.00 0.00 0.00 51.96 52.97 1ubk s ALA 469 Cb -0.10 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1ubk s ALA 469 CO 0.01 -0.68 -0.21 -1.21 0.00 0.00 0.00 175.76 173.67 1ubk s GLU 470 N -3.07 2.08 0.06 0.00 2.02 -1.26 -0.32 118.70 118.21 1ubk s GLU 470 Ca 0.04 -0.96 -0.06 0.00 0.02 0.00 0.00 54.97 54.01 1ubk s GLU 470 Cb -0.01 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 1ubk s GLU 470 CO -0.09 0.55 0.10 0.20 0.02 0.00 0.00 175.26 176.04 1ubk s GLY 471 N -1.11 0.22 -0.06 -1.39 0.00 -0.30 -4.30 107.32 100.38 1ubk s GLY 471 Ca 0.12 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 44.00 1ubk s GLY 471 CO 0.02 -0.92 0.19 0.54 0.00 0.00 0.00 173.10 172.93 1ubk s VAL 472 N -3.55 0.01 -0.04 1.40 0.11 -1.25 -0.71 120.40 116.36 1ubk s VAL 472 Ca 0.03 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1ubk s VAL 472 Cb 0.04 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1ubk s VAL 472 CO -0.09 -0.05 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.62 1ubk s GLY 473 N -0.09 0.97 -0.11 6.54 0.00 -0.09 -4.27 107.32 110.27 1ubk s GLY 473 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1ubk s GLY 473 CO 0.00 -0.42 -0.22 -1.36 0.00 0.00 0.00 173.10 171.10 1ubk s PHE 474 N -0.03 2.61 -0.04 1.90 0.40 -1.26 -1.53 117.98 120.03 1ubk s PHE 474 Ca -0.03 -1.04 0.04 0.00 -0.60 0.00 0.00 56.93 55.30 1ubk s PHE 474 Cb -0.11 -1.74 -0.00 0.00 0.51 0.00 0.00 43.02 41.67 1ubk s PHE 474 CO 0.02 -0.42 -0.14 0.08 0.70 0.00 0.00 175.22 175.46 1ubk s VAL 475 N 0.41 1.17 -0.55 -0.44 1.01 -0.10 -4.96 120.40 116.94 1ubk s VAL 475 Ca -0.16 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1ubk s VAL 475 Cb -0.17 -1.02 0.08 0.00 0.00 0.00 0.00 36.38 35.27 1ubk s VAL 475 CO 0.07 0.35 0.67 0.21 0.00 0.00 0.00 175.10 176.40 1ubk s ASN 476 N 0.12 6.20 0.81 3.32 3.84 -1.22 -0.36 114.94 127.66 1ubk s ASN 476 Ca -0.04 -1.20 -0.09 0.00 0.21 0.00 0.00 52.86 51.74 1ubk s ASN 476 Cb -0.11 -2.30 0.13 0.00 -0.55 0.00 0.00 41.25 38.43 1ubk s ASN 476 CO 0.02 -1.01 1.14 0.00 -2.79 0.00 0.00 177.10 174.45 1ubk s ALA 477 N 2.66 2.91 0.61 1.71 0.00 0.32 -4.88 121.76 125.11 1ubk s ALA 477 Ca 0.13 -1.21 0.31 0.00 0.00 0.00 0.00 51.96 51.19 1ubk s ALA 477 Cb -0.22 -2.54 1.70 0.00 0.00 0.00 0.00 23.12 22.05 1ubk s ALA 477 CO 0.09 -1.79 2.05 -1.35 0.00 0.00 0.00 175.76 174.76 1ubk h PRO 478 N -1.00 0.00 -0.05 0.00 0.11 -1.96 -1.07 132.00 128.03 1ubk h PRO 478 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ubk h PRO 478 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ubk h PRO 478 CO 0.47 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.80 1ubk n ARG 479 N -3.53 2.01 0.00 1.05 1.74 -1.26 -4.24 116.66 112.43 1ubk n ARG 479 Ca 0.02 -1.81 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 1ubk n ARG 479 Cb 0.37 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1ubk n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubk n GLY 480 N 1.22 0.50 3.62 -0.13 0.00 -0.41 -2.54 105.19 107.45 1ubk n GLY 480 Ca 0.13 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1ubk n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubk s GLY 481 N 0.00 1.24 -0.16 -0.02 0.00 -1.26 -0.52 107.32 106.60 1ubk s GLY 481 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 44.72 44.67 1ubk s GLY 481 CO 0.00 2.70 0.04 -2.27 0.00 0.00 0.00 173.10 173.57 1ubk s LEU 482 N 4.92 3.70 -0.01 0.66 2.96 0.52 -3.36 118.68 128.06 1ubk s LEU 482 Ca 0.60 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1ubk s LEU 482 Cb -0.16 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.63 1ubk s LEU 482 CO 0.28 0.21 0.01 -0.94 -1.32 0.00 0.00 176.35 174.59 1ubk s SER 483 N 0.14 0.03 -0.06 3.68 1.04 -0.47 -0.93 113.70 117.14 1ubk s SER 483 Ca 0.03 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.52 1ubk s SER 483 Cb -0.13 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 1ubk s SER 483 CO 0.01 -0.03 -0.21 -1.00 0.98 0.00 0.00 173.24 172.99 1ubk s HIS 484 N 0.28 2.54 -0.08 5.02 3.76 -0.58 -0.89 115.29 125.33 1ubk s HIS 484 Ca -0.02 -0.48 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 1ubk s HIS 484 Cb -0.03 -1.62 0.02 0.00 1.11 0.00 0.00 32.58 32.06 1ubk s HIS 484 CO -0.01 -0.06 -0.09 -1.58 -0.85 0.00 0.00 174.74 172.15 1ubk s TRP 485 N -0.37 1.40 0.05 1.40 0.52 -0.11 -0.92 118.94 120.91 1ubk s TRP 485 Ca 0.03 -0.59 0.08 0.00 0.02 0.00 0.00 56.10 55.64 1ubk s TRP 485 Cb -0.12 -1.10 -0.03 0.00 -1.15 0.00 0.00 33.47 31.07 1ubk s TRP 485 CO 0.02 -0.37 -0.22 -1.50 0.02 0.00 0.00 176.95 174.90 1ubk s ILE 486 N 1.14 1.78 -0.23 2.03 2.07 0.12 -0.67 121.20 127.42 1ubk s ILE 486 Ca -0.06 -1.28 0.00 0.00 -1.41 0.00 0.00 60.65 57.90 1ubk s ILE 486 Cb -0.14 -1.55 0.03 0.00 0.13 0.00 0.00 42.46 40.93 1ubk s ILE 486 CO -0.02 0.21 -0.11 -0.13 -1.91 0.00 0.00 174.94 172.99 1ubk s ARG 487 N -1.27 2.75 -0.12 3.50 1.81 -0.16 -1.15 118.95 124.30 1ubk s ARG 487 Ca 0.08 -1.02 -0.17 0.00 -1.72 0.00 0.00 55.73 52.91 1ubk s ARG 487 Cb -0.09 -2.86 -0.04 0.00 -0.45 0.00 0.00 34.95 31.51 1ubk s ARG 487 CO 0.02 -0.39 0.42 0.42 -0.68 0.00 0.00 175.30 175.10 1ubk s ILE 488 N 1.27 5.21 -0.04 1.52 1.01 0.56 0.04 121.20 130.78 1ubk s ILE 488 Ca -0.01 0.84 0.01 0.00 0.00 0.00 0.00 60.65 61.49 1ubk s ILE 488 Cb -0.16 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1ubk s ILE 488 CO -0.07 0.35 -0.04 -0.70 0.00 0.00 0.00 174.94 174.49 1ubk s GLU 489 N 0.51 0.70 -1.43 2.79 2.56 -0.42 -2.05 118.70 121.36 1ubk s GLU 489 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.97 55.10 1ubk s GLU 489 Cb -0.15 -0.73 0.01 0.00 2.00 0.00 0.00 34.13 35.26 1ubk s GLU 489 CO 0.09 -0.07 0.20 -3.47 -0.56 0.00 0.00 175.26 171.45 1ubk n ASP 490 N 3.94 -5.01 0.00 -1.70 4.64 -0.22 -1.12 116.55 117.08 1ubk n ASP 490 Ca -0.25 -0.06 0.00 0.00 -1.38 0.00 0.00 54.79 53.11 1ubk n ASP 490 Cb 0.51 -4.16 0.00 0.00 -1.04 0.00 0.00 41.12 36.44 1ubk n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ubk n GLY 491 N -1.08 0.65 3.67 0.27 0.00 0.05 -4.98 105.19 103.77 1ubk n GLY 491 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1ubk n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubk s LYS 492 N -0.29 2.04 -0.44 1.61 -0.14 -0.28 -4.44 119.74 117.79 1ubk s LYS 492 Ca 0.00 -2.17 -0.29 0.00 -1.36 0.00 0.00 55.97 52.16 1ubk s LYS 492 Cb 0.00 -1.64 0.01 0.00 -1.68 0.00 0.00 37.83 34.53 1ubk s LYS 492 CO 0.00 -0.14 1.38 0.42 -0.76 0.00 0.00 175.35 176.25 1ubk s ILE 493 N -2.75 3.92 -0.03 2.17 1.01 0.08 -1.30 121.20 124.31 1ubk s ILE 493 Ca 0.28 0.92 -0.18 0.00 0.00 0.00 0.00 60.65 61.67 1ubk s ILE 493 Cb 0.07 -4.29 -0.32 0.00 0.01 0.00 0.00 42.46 37.93 1ubk s ILE 493 CO 0.14 -0.85 0.86 1.23 0.00 0.00 0.00 174.94 176.33 1ubk h GLY 494 N 12.23 0.45 -5.09 6.18 0.00 -0.65 0.22 103.07 116.40 1ubk h GLY 494 Ca -0.27 -1.15 -0.15 0.00 0.00 0.00 0.00 47.33 45.77 1ubk h GLY 494 CO 1.11 1.00 -0.37 0.21 0.00 0.00 0.00 176.54 178.49 1ubk s ASN 495 N -7.24 -0.24 -0.04 0.19 3.84 -0.91 -4.81 114.94 105.74 1ubk s ASN 495 Ca -0.13 0.38 -0.01 0.00 0.21 0.00 0.00 52.86 53.31 1ubk s ASN 495 Cb 0.03 0.48 0.03 0.00 -0.55 0.00 0.00 41.25 41.24 1ubk s ASN 495 CO 0.87 -0.20 0.03 0.12 -2.79 0.00 0.00 177.10 175.12 1ubk s PHE 496 N -0.34 0.23 -0.05 0.43 2.19 -1.26 -0.99 117.98 118.19 1ubk s PHE 496 Ca -0.05 0.09 0.03 0.00 0.33 0.00 0.00 56.93 57.34 1ubk s PHE 496 Cb -0.03 -0.47 0.00 0.00 -1.31 0.00 0.00 43.02 41.21 1ubk s PHE 496 CO 0.01 -0.18 -0.14 -0.65 1.83 0.00 0.00 175.22 176.10 1ubk s GLN 497 N 1.62 1.58 -0.15 10.12 -1.52 0.15 -4.71 119.66 126.74 1ubk s GLN 497 Ca -0.02 -0.47 -0.07 0.00 -1.95 0.00 0.00 55.36 52.85 1ubk s GLN 497 Cb -0.13 -1.36 -0.04 0.00 -0.22 0.00 0.00 33.01 31.26 1ubk s GLN 497 CO -0.03 0.14 0.08 -0.51 -0.25 0.00 0.00 175.29 174.71 1ubk s LEU 498 N 0.30 3.95 -0.25 2.90 1.02 -1.26 -0.93 118.68 124.41 1ubk s LEU 498 Ca -0.08 0.20 0.02 0.00 0.02 0.00 0.00 54.13 54.29 1ubk s LEU 498 Cb -0.12 -1.98 0.06 0.00 0.02 0.00 0.00 46.19 44.17 1ubk s LEU 498 CO 0.02 0.26 -0.07 -0.69 0.02 0.00 0.00 176.35 175.89 1ubk s VAL 499 N -0.16 1.81 0.19 -1.59 1.01 -0.07 -5.03 120.40 116.57 1ubk s VAL 499 Ca 0.08 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 60.72 1ubk s VAL 499 Cb -0.12 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1ubk s VAL 499 CO 0.01 -0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 174.28 1ubk s VAL 500 N 1.26 3.41 0.20 2.92 1.01 -1.26 -1.37 120.40 126.58 1ubk s VAL 500 Ca -0.07 -1.61 -0.11 0.00 0.00 0.00 0.00 61.98 60.19 1ubk s VAL 500 Cb -0.19 -2.72 0.14 0.00 0.00 0.00 0.00 36.38 33.61 1ubk s VAL 500 CO -0.06 -0.15 1.70 -0.65 0.00 0.00 0.00 175.10 175.95 1ubk h PRO 501 N 2.70 0.22 0.00 2.72 0.10 -1.83 0.81 132.00 136.72 1ubk h PRO 501 Ca -0.46 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1ubk h PRO 501 Cb 1.21 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 32.26 1ubk h PRO 501 CO 0.56 0.15 0.00 0.77 0.10 0.00 0.00 178.00 179.58 1ubk h SER 502 N 0.23 0.00 -0.17 -2.05 0.02 -1.84 -1.56 113.55 108.18 1ubk h SER 502 Ca 0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1ubk h SER 502 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1ubk h SER 502 CO -0.38 0.00 0.04 0.74 -1.14 0.00 0.00 176.83 176.09 1ubk h THR 503 N 0.00 1.20 -0.21 -2.27 2.02 -1.05 0.91 112.91 113.51 1ubk h THR 503 Ca 0.00 -0.63 0.06 0.00 0.77 0.00 0.00 66.41 66.60 1ubk h THR 503 Cb 0.38 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 1ubk h THR 503 CO 0.00 0.19 -0.21 -0.50 0.37 0.00 0.00 175.52 175.37 1ubk h TRP 504 N 0.08 -0.56 0.17 3.16 4.06 -1.03 -0.73 115.95 121.11 1ubk h TRP 504 Ca 0.05 0.03 -0.32 0.00 2.06 0.00 0.00 58.89 60.72 1ubk h TRP 504 Cb 0.26 0.28 0.01 0.00 -1.00 0.00 0.00 29.16 28.71 1ubk h TRP 504 CO 0.01 -0.29 -1.52 1.15 -3.56 0.00 0.00 178.44 174.23 1ubk h THR 505 N -0.23 1.20 -0.02 1.49 2.02 -1.26 -3.38 112.91 112.73 1ubk h THR 505 Ca 0.13 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.55 1ubk h THR 505 Cb 0.42 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1ubk h THR 505 CO -0.34 0.84 0.00 0.18 0.37 0.00 0.00 175.52 176.57 1ubk n LEU 506 N -3.57 1.49 -4.46 2.58 7.99 0.30 -1.57 117.00 119.76 1ubk n LEU 506 Ca -0.17 -1.14 -0.29 0.00 -0.01 0.00 0.00 56.01 54.40 1ubk n LEU 506 Cb 1.07 -0.01 0.26 0.00 -0.11 0.00 0.00 43.42 44.62 1ubk n LEU 506 CO 0.54 0.33 0.50 -0.83 -1.51 0.00 0.00 177.39 176.43 1ubk s GLY 507 N -0.44 1.51 0.00 -0.72 0.00 -0.28 -4.81 107.32 102.58 1ubk s GLY 507 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1ubk s GLY 507 CO 0.05 0.37 0.00 -1.55 0.00 0.00 0.00 173.10 171.97 1ubk n PRO 508 N -5.06 0.49 -1.31 2.90 -0.04 -1.26 -4.52 135.00 126.19 1ubk n PRO 508 Ca 0.06 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.19 1ubk n PRO 508 Cb 0.57 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.13 1ubk n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ubk s ARG 509 N -1.94 2.01 0.36 0.54 0.52 -1.26 -4.30 118.95 114.87 1ubk s ARG 509 Ca 0.00 1.63 0.04 0.00 -0.52 0.00 0.00 55.73 56.88 1ubk s ARG 509 Cb 0.00 -1.83 0.06 0.00 0.52 0.00 0.00 34.95 33.70 1ubk s ARG 509 CO 0.00 -1.91 0.49 0.00 0.02 0.00 0.00 175.30 173.91 1ubk n ASP 511 N -2.69 0.00 -1.27 0.00 3.85 -1.26 -0.78 116.55 114.40 1ubk n ASP 511 Ca 0.10 -0.78 0.12 0.00 -0.71 0.00 0.00 54.79 53.51 1ubk n ASP 511 Cb 0.35 -0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.39 1ubk n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1ubk n LYS 512 N -1.00 2.62 -1.87 0.11 5.02 -1.26 -4.95 118.16 116.82 1ubk n LYS 512 Ca 0.19 -2.48 -0.16 0.00 -2.02 0.00 0.00 58.31 53.84 1ubk n LYS 512 Cb 0.09 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 1ubk n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ubk n ASN 513 N 1.58 -4.79 -4.71 4.39 5.03 0.04 -4.96 115.26 111.84 1ubk n ASN 513 Ca 0.22 0.19 -0.42 0.00 0.87 0.00 0.00 54.58 55.44 1ubk n ASN 513 Cb 0.62 -3.80 -0.03 0.00 -1.02 0.00 0.00 39.78 35.55 1ubk n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ubk s LYS 514 N -4.05 4.54 0.40 3.52 1.02 -1.26 -4.82 119.74 119.09 1ubk s LYS 514 Ca 0.00 1.38 -0.27 0.00 0.02 0.00 0.00 55.97 57.10 1ubk s LYS 514 Cb 0.00 -3.47 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 1ubk s LYS 514 CO 0.00 -0.07 1.38 -0.51 -0.92 0.00 0.00 175.35 175.23 1ubk s LEU 515 N 1.11 4.23 0.92 3.17 1.02 -1.26 -3.35 118.68 124.52 1ubk s LEU 515 Ca 0.51 2.83 -0.12 0.00 0.02 0.00 0.00 54.13 57.37 1ubk s LEU 515 Cb -0.20 -3.83 0.14 0.00 0.02 0.00 0.00 46.19 42.32 1ubk s LEU 515 CO 0.26 -0.92 1.10 -0.94 0.02 0.00 0.00 176.35 175.88 1ubk s SER 516 N -0.50 3.31 0.21 2.29 1.04 -1.26 -4.65 113.70 114.13 1ubk s SER 516 Ca 0.56 1.26 -0.10 0.00 0.48 0.00 0.00 55.95 58.16 1ubk s SER 516 Cb -0.42 -1.93 0.26 0.00 0.10 0.00 0.00 66.02 64.03 1ubk s SER 516 CO 0.55 -2.71 1.77 -0.65 0.98 0.00 0.00 173.24 173.18 1ubk h PRO 517 N -1.60 0.51 -0.46 4.02 0.11 -1.78 0.88 132.00 133.68 1ubk h PRO 517 Ca -0.51 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 1ubk h PRO 517 Cb 1.31 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1ubk h PRO 517 CO 0.58 0.34 -0.14 -0.24 -0.21 0.00 0.00 178.00 178.33 1ubk h VAL 518 N 0.53 1.26 -0.03 3.15 3.04 -1.64 -0.35 116.25 122.21 1ubk h VAL 518 Ca 0.30 -1.25 -0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1ubk h VAL 518 Cb 0.29 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1ubk h VAL 518 CO -0.24 0.43 0.01 -0.33 -1.01 0.00 0.00 177.57 176.42 1ubk h GLU 519 N 0.77 0.05 -0.62 4.17 5.08 -1.64 -2.51 114.58 119.89 1ubk h GLU 519 Ca 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ubk h GLU 519 Cb 0.66 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1ubk h GLU 519 CO 0.05 0.29 0.32 0.00 -1.00 0.00 0.00 179.01 178.67 1ubk h ALA 520 N 0.76 1.41 0.00 3.43 0.00 -0.74 -2.48 119.26 121.64 1ubk h ALA 520 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ubk h ALA 520 Cb 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ubk h ALA 520 CO 0.00 0.48 -0.16 0.66 0.00 0.00 0.00 179.25 180.23 1ubk h SER 521 N 0.86 0.00 1.48 0.00 4.64 -0.82 -2.46 113.55 117.26 1ubk h SER 521 Ca 0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1ubk h SER 521 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ubk h SER 521 CO -0.03 0.16 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.88 1ubk h LEU 522 N 0.00 0.00 -9.58 5.97 3.38 -1.01 -3.14 115.31 110.94 1ubk h LEU 522 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1ubk h LEU 522 Cb 0.53 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.32 1ubk h LEU 522 CO 0.02 0.13 0.85 -0.63 0.09 0.00 0.00 178.44 178.90 1ubk s ILE 523 N -3.35 2.84 0.00 1.22 -1.09 -0.93 -1.70 121.20 118.18 1ubk s ILE 523 Ca 0.04 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1ubk s ILE 523 Cb 0.07 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1ubk s ILE 523 CO 0.65 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 1ubk n GLY 524 N 3.71 0.36 3.70 6.18 0.00 0.36 -4.78 105.19 114.72 1ubk n GLY 524 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ubk n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubk s THR 525 N -2.11 3.29 0.44 2.61 2.01 -0.69 -4.65 115.64 116.54 1ubk s THR 525 Ca 0.00 0.83 -0.22 0.00 0.31 0.00 0.00 61.69 62.62 1ubk s THR 525 Cb 0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 1ubk s THR 525 CO 0.00 0.03 1.02 -2.16 -0.69 0.00 0.00 174.62 172.82 1ubk s PRO 526 N 1.81 4.03 -0.21 4.92 0.04 -1.26 -0.62 135.00 143.70 1ubk s PRO 526 Ca 0.67 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1ubk s PRO 526 Cb -0.37 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 31.97 1ubk s PRO 526 CO 0.30 -0.23 0.02 0.08 0.04 0.00 0.00 177.00 177.20 1ubk s VAL 527 N -1.91 0.79 0.11 -0.36 1.01 0.56 -4.71 120.40 115.89 1ubk s VAL 527 Ca 0.63 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 1ubk s VAL 527 Cb -0.17 -1.27 -0.20 0.00 0.00 0.00 0.00 36.38 34.75 1ubk s VAL 527 CO 0.21 -0.22 1.26 0.00 0.00 0.00 0.00 175.10 176.35 1ubk h ALA 528 N 8.16 0.27 -2.88 5.51 0.00 -1.92 -3.42 119.26 124.99 1ubk h ALA 528 Ca -0.16 -0.69 -0.49 0.00 0.00 0.00 0.00 54.91 53.57 1ubk h ALA 528 Cb 1.10 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 1ubk h ALA 528 CO 0.37 0.74 -0.76 0.34 0.00 0.00 0.00 179.25 179.94 1ubk s ASP 529 N -7.17 2.94 0.59 0.00 3.68 -1.26 -4.97 116.67 110.49 1ubk s ASP 529 Ca -0.08 -0.97 0.35 0.00 2.13 0.00 0.00 52.55 53.98 1ubk s ASP 529 Cb 0.08 -0.27 1.87 0.00 -1.45 0.00 0.00 42.92 43.15 1ubk s ASP 529 CO 0.89 -0.40 2.21 0.00 0.13 0.00 0.00 175.17 178.00 1ubk h ALA 530 N 8.41 1.21 0.00 3.66 0.00 -2.01 0.62 119.26 131.15 1ubk h ALA 530 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ubk h ALA 530 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ubk h ALA 530 CO 0.37 0.05 0.00 0.87 0.00 0.00 0.00 179.25 180.54 1ubk h LYS 531 N 0.00 0.00 -2.03 0.00 1.57 -1.99 -3.37 116.57 110.76 1ubk h LYS 531 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1ubk h LYS 531 Cb 0.17 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.08 1ubk h LYS 531 CO 0.00 0.00 -1.08 0.54 -0.57 0.00 0.00 179.45 178.35 1ubk n ARG 532 N -2.42 1.03 -1.82 3.15 1.74 0.20 -5.04 116.66 113.50 1ubk n ARG 532 Ca 0.04 -3.44 -0.41 0.00 -0.77 0.00 0.00 57.85 53.27 1ubk n ARG 532 Cb 0.38 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 1ubk n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ubk n PRO 533 N 0.99 3.58 0.27 5.56 -0.04 -1.18 -4.64 135.00 139.54 1ubk n PRO 533 Ca 0.23 -2.89 0.11 0.00 -0.04 0.00 0.00 63.50 60.92 1ubk n PRO 533 Cb 0.55 -2.95 0.74 0.00 -0.04 0.00 0.00 33.50 31.80 1ubk n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ubk h VAL 534 N 3.42 0.74 -0.66 0.52 3.04 -1.96 -2.14 116.25 119.21 1ubk h VAL 534 Ca 0.63 -0.27 -0.08 0.00 -1.01 0.00 0.00 66.70 65.97 1ubk h VAL 534 Cb 0.48 1.16 -0.03 0.00 -2.01 0.00 0.00 31.29 30.90 1ubk h VAL 534 CO 1.72 0.07 0.10 -0.33 -1.01 0.00 0.00 177.57 178.12 1ubk h GLU 535 N 0.00 1.09 -0.52 4.17 3.07 -1.84 0.12 114.58 120.66 1ubk h GLU 535 Ca -0.00 -0.29 -0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1ubk h GLU 535 Cb 0.16 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 1ubk h GLU 535 CO 0.01 1.00 0.31 0.82 -1.40 0.00 0.00 179.01 179.75 1ubk h ILE 536 N 1.02 1.16 -0.93 3.13 2.04 -1.68 -2.79 117.51 119.45 1ubk h ILE 536 Ca 0.20 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ubk h ILE 536 Cb 0.45 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1ubk h ILE 536 CO 0.01 0.16 0.59 -0.07 0.00 0.00 0.00 178.15 178.85 1ubk h LEU 537 N 0.70 1.09 -0.42 1.44 3.38 -1.27 -1.07 115.31 119.16 1ubk h LEU 537 Ca 0.19 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1ubk h LEU 537 Cb -0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1ubk h LEU 537 CO -0.04 0.81 0.16 0.03 0.09 0.00 0.00 178.44 179.50 1ubk h ARG 538 N 1.27 0.33 -0.10 1.13 3.08 -0.54 0.30 114.38 119.84 1ubk h ARG 538 Ca 0.34 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 1ubk h ARG 538 Cb -0.11 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1ubk h ARG 538 CO -0.07 0.22 -0.21 1.15 -1.07 0.00 0.00 179.97 179.99 1ubk h THR 539 N 0.34 1.39 -0.23 2.04 2.02 -1.32 -2.02 112.91 115.14 1ubk h THR 539 Ca 0.19 -1.50 0.01 0.00 0.77 0.00 0.00 66.41 65.88 1ubk h THR 539 Cb 0.16 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1ubk h THR 539 CO -0.18 0.43 0.13 0.58 0.37 0.00 0.00 175.52 176.85 1ubk h VAL 540 N -0.13 1.02 0.00 3.16 2.07 -0.99 -2.24 116.25 119.15 1ubk h VAL 540 Ca 0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1ubk h VAL 540 Cb 0.80 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1ubk h VAL 540 CO 0.05 0.05 -0.20 0.45 0.02 0.00 0.00 177.57 177.94 1ubk h HIS 541 N 0.27 0.00 0.00 1.57 -0.00 -0.44 -2.28 115.15 114.27 1ubk h HIS 541 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 1ubk h HIS 541 Cb -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 1ubk h HIS 541 CO -0.08 0.20 -0.05 0.66 -0.00 0.00 0.00 177.93 178.66 1ubk h SER 542 N 0.00 0.00 0.72 2.45 4.64 -0.72 -0.08 113.55 120.56 1ubk h SER 542 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubk h SER 542 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1ubk h SER 542 CO 0.03 0.05 -0.08 0.49 -0.87 0.00 0.00 176.83 176.45 1ubk n PHE 543 N -3.92 0.00 -3.39 4.77 3.72 -0.86 -4.60 117.46 113.18 1ubk n PHE 543 Ca -0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.20 1ubk n PHE 543 Cb 0.14 -0.36 0.04 0.00 -0.94 0.00 0.00 39.48 38.35 1ubk n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ubk n ASP 544 N -1.36 -6.38 -4.75 4.37 4.64 -0.04 -4.91 116.55 108.11 1ubk n ASP 544 Ca 0.10 -0.66 -0.37 0.00 -1.38 0.00 0.00 54.79 52.48 1ubk n ASP 544 Cb 0.30 -4.33 0.03 0.00 -1.04 0.00 0.00 41.12 36.08 1ubk n ASP 544 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1ubk s PRO 545 N -4.58 3.20 -0.23 -0.67 0.02 -1.26 -4.94 135.00 126.53 1ubk s PRO 545 Ca 0.30 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 63.25 1ubk s PRO 545 Cb -0.07 -2.15 0.08 0.00 0.02 0.00 0.00 34.50 32.37 1ubk s PRO 545 CO 0.80 -1.07 0.11 0.00 -0.33 0.00 0.00 177.00 176.51 1ubk h ILE 547 N 6.42 1.45 -0.47 0.00 1.08 -1.33 -0.13 117.51 124.52 1ubk h ILE 547 Ca -0.18 -3.16 -0.01 0.00 -0.39 0.00 0.00 64.86 61.13 1ubk h ILE 547 Cb 1.08 2.71 -0.02 0.00 -3.07 0.00 0.00 36.82 37.51 1ubk h ILE 547 CO 0.37 0.83 0.26 0.00 -0.69 0.00 0.00 178.15 178.91 1ubk h ALA 548 N 1.05 0.60 -0.12 1.87 0.00 -1.84 -1.29 119.26 119.52 1ubk h ALA 548 Ca -0.07 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ubk h ALA 548 Cb 1.79 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1ubk h ALA 548 CO 0.11 0.12 -0.03 0.00 0.00 0.00 0.00 179.25 179.45 1ubk h GLY 550 N -0.00 0.96 0.05 0.00 0.00 -0.56 -3.32 103.07 100.19 1ubk h GLY 550 Ca 0.06 -0.61 -0.39 0.00 0.00 0.00 0.00 47.33 46.39 1ubk h GLY 550 CO -0.13 0.57 -2.44 -0.62 0.00 0.00 0.00 176.54 173.92 1ubk n VAL 551 N -4.23 1.52 -0.12 4.60 0.31 -0.53 -4.41 118.33 115.47 1ubk n VAL 551 Ca 0.03 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1ubk n VAL 551 Cb 0.28 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1ubk n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51