#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubh s SER 20 N 0.00 5.45 0.22 6.43 1.04 -1.26 -5.02 113.70 120.55 1ubh s SER 20 Ca 0.00 0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.22 1ubh s SER 20 Cb 0.00 -1.82 -0.09 0.00 0.10 0.00 0.00 66.02 64.21 1ubh s SER 20 CO 0.00 0.24 1.21 -0.47 0.98 0.00 0.00 173.24 175.20 1ubh s TYR 21 N -0.06 3.39 -0.08 5.02 5.04 -1.26 -4.43 117.35 124.97 1ubh s TYR 21 Ca 0.05 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.14 1ubh s TYR 21 Cb -0.12 -3.46 0.01 0.00 0.35 0.00 0.00 41.96 38.74 1ubh s TYR 21 CO 0.01 -1.27 -0.15 -1.12 -1.34 0.00 0.00 175.55 171.68 1ubh s SER 22 N -0.05 2.20 0.00 4.32 0.01 -1.26 -0.07 113.70 118.84 1ubh s SER 22 Ca 0.52 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1ubh s SER 22 Cb -0.34 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1ubh s SER 22 CO 0.39 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1ubh n GLY 23 N 3.83 0.01 3.86 3.44 0.00 0.25 -4.97 105.19 111.62 1ubh n GLY 23 Ca -0.21 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1ubh n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubh s PRO 24 N -1.51 3.68 -0.02 1.61 0.04 -1.26 -0.35 135.00 137.18 1ubh s PRO 24 Ca 0.00 0.82 0.01 0.00 0.04 0.00 0.00 61.00 61.87 1ubh s PRO 24 Cb 0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1ubh s PRO 24 CO 0.00 -0.50 -0.03 0.42 0.04 0.00 0.00 177.00 176.92 1ubh s ILE 25 N -3.01 0.35 -0.06 0.56 1.01 -0.53 -4.89 121.20 114.63 1ubh s ILE 25 Ca 0.56 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.17 1ubh s ILE 25 Cb -0.11 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1ubh s ILE 25 CO 0.47 0.14 -0.22 -0.69 0.00 0.00 0.00 174.94 174.65 1ubh s VAL 26 N 0.47 2.29 -0.35 2.92 1.01 -1.26 -1.26 120.40 124.21 1ubh s VAL 26 Ca -0.05 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1ubh s VAL 26 Cb -0.08 -1.85 0.10 0.00 0.00 0.00 0.00 36.38 34.54 1ubh s VAL 26 CO -0.01 0.57 0.07 -0.69 0.00 0.00 0.00 175.10 175.04 1ubh s VAL 27 N -0.20 2.34 -0.26 2.92 1.01 -0.03 -5.01 120.40 121.17 1ubh s VAL 27 Ca -0.02 -2.40 -0.01 0.00 0.00 0.00 0.00 61.98 59.55 1ubh s VAL 27 Cb -0.13 -2.72 0.14 0.00 0.00 0.00 0.00 36.38 33.67 1ubh s VAL 27 CO 0.03 -0.62 0.38 -0.62 0.00 0.00 0.00 175.10 174.28 1ubh s ASP 28 N 0.87 0.41 0.31 3.32 3.68 -1.26 -1.33 116.67 122.67 1ubh s ASP 28 Ca 0.11 -0.07 -0.21 0.00 2.13 0.00 0.00 52.55 54.51 1ubh s ASP 28 Cb -0.20 1.06 -0.09 0.00 -1.45 0.00 0.00 42.92 42.24 1ubh s ASP 28 CO -0.07 -0.33 0.83 -2.16 0.13 0.00 0.00 175.17 173.57 1ubh s PRO 29 N 2.53 4.30 -0.41 4.34 0.04 -1.26 -5.09 135.00 139.45 1ubh s PRO 29 Ca 0.11 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.88 1ubh s PRO 29 Cb -0.14 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.76 1ubh s PRO 29 CO -0.22 0.24 1.42 0.08 0.04 0.00 0.00 177.00 178.55 1ubh s VAL 30 N -1.76 3.90 0.70 -0.36 1.01 -0.20 -5.02 120.40 118.67 1ubh s VAL 30 Ca 0.51 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.36 1ubh s VAL 30 Cb -0.15 -4.20 0.09 0.00 0.00 0.00 0.00 36.38 32.12 1ubh s VAL 30 CO 0.20 -0.75 0.98 0.42 0.00 0.00 0.00 175.10 175.94 1ubh s THR 31 N 5.45 2.30 -1.35 3.92 -4.23 -1.26 -4.45 115.64 116.02 1ubh s THR 31 Ca 0.61 -0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1ubh s THR 31 Cb -0.14 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.85 1ubh s THR 31 CO 0.33 0.00 1.10 0.54 -0.54 0.00 0.00 174.62 176.04 1ubh n ARG 32 N -2.84 -7.21 -4.21 3.99 1.74 -1.26 -5.00 116.66 101.86 1ubh n ARG 32 Ca 0.11 0.79 -0.12 0.00 -0.77 0.00 0.00 57.85 57.85 1ubh n ARG 32 Cb 0.60 -5.79 -0.10 0.00 -1.02 0.00 0.00 32.46 26.15 1ubh n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1ubh s ILE 33 N -3.34 0.05 0.13 0.55 -4.36 -1.26 -4.75 121.20 108.21 1ubh s ILE 33 Ca 0.45 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.57 1ubh s ILE 33 Cb -0.20 -2.51 -0.07 0.00 1.25 0.00 0.00 42.46 40.93 1ubh s ILE 33 CO 0.75 -0.00 0.82 -0.70 0.24 0.00 0.00 174.94 176.04 1ubh s GLU 34 N -4.15 4.59 1.05 0.37 -6.30 -1.06 -4.98 118.70 108.22 1ubh s GLU 34 Ca 0.39 1.20 0.00 0.00 -2.50 0.00 0.00 54.97 54.06 1ubh s GLU 34 Cb 0.07 -3.31 0.00 0.00 0.00 0.00 0.00 34.13 30.89 1ubh s GLU 34 CO 0.12 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.23 1ubh n GLY 35 N 1.94 -1.94 3.15 -1.50 0.00 -1.26 -0.87 105.19 104.71 1ubh n GLY 35 Ca -0.03 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 1ubh n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubh s HIS 36 N 0.00 3.51 -0.09 1.61 3.76 -1.26 -4.84 115.29 117.98 1ubh s HIS 36 Ca 0.00 -2.30 0.04 0.00 -0.15 0.00 0.00 55.06 52.65 1ubh s HIS 36 Cb 0.00 -3.32 -0.00 0.00 1.11 0.00 0.00 32.58 30.36 1ubh s HIS 36 CO 0.00 -0.96 -0.23 -1.17 -0.85 0.00 0.00 174.74 171.53 1ubh s LEU 37 N 0.95 2.16 -0.23 0.89 2.96 -1.26 -1.33 118.68 122.82 1ubh s LEU 37 Ca 0.09 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1ubh s LEU 37 Cb -0.23 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1ubh s LEU 37 CO -0.03 0.19 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.54 1ubh s ARG 38 N 0.19 3.19 -0.18 1.98 3.52 0.85 -1.03 118.95 127.46 1ubh s ARG 38 Ca -0.14 -0.75 -0.07 0.00 -0.13 0.00 0.00 55.73 54.65 1ubh s ARG 38 Cb -0.17 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1ubh s ARG 38 CO 0.07 -0.27 0.05 0.42 -0.81 0.00 0.00 175.30 174.77 1ubh s ILE 39 N 1.43 4.70 -0.11 4.11 -1.09 -0.44 -0.93 121.20 128.87 1ubh s ILE 39 Ca 0.04 -0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.43 1ubh s ILE 39 Cb -0.15 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 1ubh s ILE 39 CO -0.04 0.46 -0.23 -1.61 -1.23 0.00 0.00 174.94 172.29 1ubh s GLU 40 N 0.40 2.99 0.13 2.79 2.02 -0.67 -0.85 118.70 125.51 1ubh s GLU 40 Ca 0.02 -0.85 0.06 0.00 0.02 0.00 0.00 54.97 54.22 1ubh s GLU 40 Cb -0.13 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1ubh s GLU 40 CO 0.01 0.11 -0.15 0.14 0.02 0.00 0.00 175.26 175.39 1ubh s VAL 41 N 0.51 1.43 -0.20 2.63 -7.23 -0.39 -0.83 120.40 116.32 1ubh s VAL 41 Ca -0.15 -1.76 -0.08 0.00 -1.81 0.00 0.00 61.98 58.18 1ubh s VAL 41 Cb -0.17 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1ubh s VAL 41 CO 0.05 -0.40 0.09 -0.70 -0.31 0.00 0.00 175.10 173.84 1ubh s GLU 42 N -2.70 4.01 -0.08 4.82 2.12 -0.48 -1.45 118.70 124.93 1ubh s GLU 42 Ca 0.10 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.13 1ubh s GLU 42 Cb -0.05 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1ubh s GLU 42 CO 0.04 0.21 -0.10 0.08 -0.54 0.00 0.00 175.26 174.94 1ubh s VAL 43 N 0.58 3.41 -0.13 3.70 1.01 0.53 0.06 120.40 129.55 1ubh s VAL 43 Ca 0.05 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1ubh s VAL 43 Cb -0.13 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.89 1ubh s VAL 43 CO 0.01 0.57 -0.07 -0.70 0.00 0.00 0.00 175.10 174.91 1ubh s GLU 44 N -0.45 1.53 -1.46 2.72 2.12 0.09 -0.58 118.70 122.66 1ubh s GLU 44 Ca 0.06 -0.37 -0.11 0.00 0.36 0.00 0.00 54.97 54.91 1ubh s GLU 44 Cb -0.12 -1.77 0.06 0.00 0.26 0.00 0.00 34.13 32.55 1ubh s GLU 44 CO 0.02 -0.33 1.04 0.09 -0.54 0.00 0.00 175.26 175.54 1ubh n ASN 45 N 4.91 -5.13 -0.20 -1.70 3.02 -1.01 -2.23 115.26 112.92 1ubh n ASN 45 Ca -0.12 -0.70 -0.03 0.00 -0.03 0.00 0.00 54.58 53.70 1ubh n ASN 45 Cb 0.49 -4.29 -0.01 0.00 -0.61 0.00 0.00 39.78 35.36 1ubh n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ubh n GLY 46 N -1.78 0.59 2.94 7.41 0.00 0.89 -4.76 105.19 110.48 1ubh n GLY 46 Ca 0.01 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1ubh n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubh s LYS 47 N -1.81 0.24 0.07 1.61 1.02 -0.95 -1.12 119.74 118.80 1ubh s LYS 47 Ca 0.00 -0.26 -0.31 0.00 0.02 0.00 0.00 55.97 55.42 1ubh s LYS 47 Cb 0.00 -0.12 -0.07 0.00 -0.52 0.00 0.00 37.83 37.12 1ubh s LYS 47 CO 0.00 0.03 1.39 0.08 -0.92 0.00 0.00 175.35 175.93 1ubh s VAL 48 N -0.48 3.49 -0.33 3.17 1.01 0.26 -0.73 120.40 126.78 1ubh s VAL 48 Ca -0.04 1.01 0.12 0.00 0.00 0.00 0.00 61.98 63.08 1ubh s VAL 48 Cb -0.04 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.54 1ubh s VAL 48 CO -0.00 0.05 0.41 1.17 0.00 0.00 0.00 175.10 176.73 1ubh n LYS 49 N 4.49 1.87 -3.53 2.72 4.81 0.11 -0.68 118.16 127.95 1ubh n LYS 49 Ca 0.12 -0.05 -0.14 0.00 -0.87 0.00 0.00 58.31 57.37 1ubh n LYS 49 Cb 0.43 -1.17 -0.05 0.00 0.02 0.00 0.00 35.03 34.27 1ubh n LYS 49 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1ubh s ASN 50 N -2.70 -0.51 -0.11 3.14 3.04 -1.13 -4.95 114.94 111.73 1ubh s ASN 50 Ca 0.01 0.24 -0.21 0.00 0.04 0.00 0.00 52.86 52.94 1ubh s ASN 50 Cb 0.09 0.53 0.05 0.00 -1.54 0.00 0.00 41.25 40.37 1ubh s ASN 50 CO 0.51 -0.76 0.51 0.00 -3.04 0.00 0.00 177.10 174.32 1ubh s ALA 51 N -2.51 -1.29 -0.06 1.71 0.00 -1.26 -1.38 121.76 116.98 1ubh s ALA 51 Ca -0.05 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.05 1ubh s ALA 51 Cb -0.01 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1ubh s ALA 51 CO -0.02 -0.29 -0.09 0.71 0.00 0.00 0.00 175.76 176.07 1ubh s TYR 52 N -0.58 1.18 -0.42 0.00 2.02 -0.01 -4.89 117.35 114.65 1ubh s TYR 52 Ca -0.07 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.12 1ubh s TYR 52 Cb -0.03 -0.90 0.07 0.00 -0.40 0.00 0.00 41.96 40.69 1ubh s TYR 52 CO 0.04 -0.24 0.27 0.45 -1.57 0.00 0.00 175.55 174.51 1ubh s SER 53 N 0.73 5.73 -0.30 2.29 0.15 -1.26 -1.67 113.70 119.36 1ubh s SER 53 Ca -0.13 -1.39 -0.04 0.00 0.70 0.00 0.00 55.95 55.09 1ubh s SER 53 Cb -0.15 -2.02 0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1ubh s SER 53 CO 0.02 -0.53 0.03 -0.55 1.20 0.00 0.00 173.24 173.42 1ubh s SER 54 N 2.09 4.97 -0.22 5.45 0.15 -0.10 -4.47 113.70 121.57 1ubh s SER 54 Ca 0.03 -1.10 -0.17 0.00 0.70 0.00 0.00 55.95 55.41 1ubh s SER 54 Cb -0.23 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1ubh s SER 54 CO 0.04 -0.25 0.43 -0.44 1.20 0.00 0.00 173.24 174.22 1ubh s SER 55 N 1.34 6.44 -0.11 5.45 0.01 -1.26 -0.11 113.70 125.46 1ubh s SER 55 Ca -0.02 0.52 0.15 0.00 1.31 0.00 0.00 55.95 57.91 1ubh s SER 55 Cb -0.19 -2.25 0.32 0.00 0.21 0.00 0.00 66.02 64.11 1ubh s SER 55 CO 0.00 -0.14 1.22 0.35 0.41 0.00 0.00 173.24 175.08 1ubh n THR 56 N 4.57 1.80 -4.69 1.44 -2.24 -0.44 -1.71 114.28 113.02 1ubh n THR 56 Ca -0.07 -1.85 -0.25 0.00 -2.27 0.00 0.00 64.05 59.61 1ubh n THR 56 Cb 0.51 -0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.51 1ubh n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ubh s LEU 57 N -2.42 1.82 -0.03 3.22 2.96 -1.26 -5.04 118.68 117.93 1ubh s LEU 57 Ca 0.30 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1ubh s LEU 57 Cb 0.24 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 46.06 1ubh s LEU 57 CO 0.05 0.11 -0.25 0.12 -1.32 0.00 0.00 176.35 175.06 1ubh s PHE 58 N 0.24 2.33 -0.05 5.38 5.36 -1.26 -4.85 117.98 125.13 1ubh s PHE 58 Ca -0.07 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.37 1ubh s PHE 58 Cb -0.12 -1.51 -0.04 0.00 -0.34 0.00 0.00 43.02 41.01 1ubh s PHE 58 CO 0.02 -0.11 -0.03 0.54 -1.46 0.00 0.00 175.22 174.18 1ubh n ARG 59 N 2.66 0.88 -1.66 10.12 1.74 -0.69 -5.08 116.66 124.62 1ubh n ARG 59 Ca -0.17 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1ubh n ARG 59 Cb 0.51 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1ubh n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubh n GLY 60 N 3.14 0.90 0.34 -0.13 0.00 -0.92 -4.97 105.19 103.55 1ubh n GLY 60 Ca -0.08 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.46 1ubh n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubh h LEU 61 N 0.00 0.41 -0.87 0.99 3.38 -1.91 -1.42 115.31 115.89 1ubh h LEU 61 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1ubh h LEU 61 Cb 0.73 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1ubh h LEU 61 CO 0.00 0.26 0.04 -0.33 0.09 0.00 0.00 178.44 178.50 1ubh h GLU 62 N 0.47 0.88 -0.28 1.13 5.08 -1.93 -1.76 114.58 118.17 1ubh h GLU 62 Ca 0.24 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ubh h GLU 62 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ubh h GLU 62 CO -0.07 0.85 0.02 0.82 -1.00 0.00 0.00 179.01 179.63 1ubh h ILE 63 N 0.82 1.25 -0.42 3.13 2.04 -1.61 -3.16 117.51 119.57 1ubh h ILE 63 Ca 0.16 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1ubh h ILE 63 Cb 0.44 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1ubh h ILE 63 CO 0.02 0.28 0.23 0.40 0.00 0.00 0.00 178.15 179.07 1ubh h ILE 64 N 0.28 1.13 0.00 -0.67 2.04 -1.08 -2.78 117.51 116.43 1ubh h ILE 64 Ca 0.08 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1ubh h ILE 64 Cb 0.39 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1ubh h ILE 64 CO 0.01 0.14 -0.09 -0.07 0.00 0.00 0.00 178.15 178.14 1ubh h LEU 65 N 0.57 0.00 -9.60 1.44 3.38 -1.29 -3.46 115.31 106.36 1ubh h LEU 65 Ca 0.15 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.56 1ubh h LEU 65 Cb 0.02 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.83 1ubh h LEU 65 CO -0.03 0.09 0.85 0.29 0.09 0.00 0.00 178.44 179.73 1ubh n LYS 66 N -3.22 2.38 -0.06 1.13 5.02 -1.05 -1.94 118.16 120.42 1ubh n LYS 66 Ca 0.01 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1ubh n LYS 66 Cb 0.37 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 1ubh n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubh n GLY 67 N 3.25 1.53 3.93 0.72 0.00 0.60 -4.98 105.19 110.24 1ubh n GLY 67 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1ubh n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubh s ARG 68 N -0.46 1.85 0.05 1.61 0.52 -0.82 -4.55 118.95 117.15 1ubh s ARG 68 Ca 0.00 -0.30 -0.31 0.00 -0.52 0.00 0.00 55.73 54.60 1ubh s ARG 68 Cb 0.00 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.30 1ubh s ARG 68 CO 0.00 -1.51 1.49 0.34 0.02 0.00 0.00 175.30 175.64 1ubh s ASP 69 N -4.61 6.75 0.56 0.23 -1.08 -1.26 -1.00 116.67 116.26 1ubh s ASP 69 Ca 0.63 2.30 0.26 0.00 -0.52 0.00 0.00 52.55 55.22 1ubh s ASP 69 Cb -0.09 -2.57 1.52 0.00 -1.46 0.00 0.00 42.92 40.32 1ubh s ASP 69 CO 0.47 -0.77 2.06 -0.65 0.52 0.00 0.00 175.17 176.80 1ubh h PRO 70 N 7.75 0.00 0.00 4.34 0.11 -1.90 0.43 132.00 142.72 1ubh h PRO 70 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1ubh h PRO 70 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ubh h PRO 70 CO 0.91 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.67 1ubh h ARG 71 N 0.00 0.00 0.00 1.05 3.08 -1.95 -2.57 114.38 113.99 1ubh h ARG 71 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ubh h ARG 71 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1ubh h ARG 71 CO -0.00 0.03 -0.30 -0.25 -1.07 0.00 0.00 179.97 178.37 1ubh n ASP 72 N -3.20 0.56 -0.11 7.04 8.00 0.14 -4.30 116.55 124.68 1ubh n ASP 72 Ca -0.01 0.26 -0.08 0.00 0.71 0.00 0.00 54.79 55.67 1ubh n ASP 72 Cb 0.20 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1ubh n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubh h ALA 73 N 2.70 0.45 0.00 2.24 0.00 -1.52 -2.46 119.26 120.67 1ubh h ALA 73 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ubh h ALA 73 Cb 0.65 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ubh h ALA 73 CO 0.00 -0.14 -0.05 -0.56 0.00 0.00 0.00 179.25 178.50 1ubh h GLN 74 N 0.43 0.00 -0.30 0.00 3.07 -1.79 0.19 115.11 116.70 1ubh h GLN 74 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.76 1ubh h GLN 74 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 1ubh h GLN 74 CO -0.07 0.05 -0.30 0.45 0.09 0.00 0.00 178.83 179.06 1ubh h HIS 75 N 0.00 0.88 -0.01 0.06 3.86 -1.72 -1.43 115.15 116.80 1ubh h HIS 75 Ca -0.00 -0.26 -0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1ubh h HIS 75 Cb 0.10 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 1ubh h HIS 75 CO 0.00 1.02 -0.00 0.74 0.86 0.00 0.00 177.93 180.55 1ubh h PHE 76 N 0.49 0.02 0.00 2.45 -1.00 -1.24 -3.31 116.94 114.35 1ubh h PHE 76 Ca 0.05 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1ubh h PHE 76 Cb 0.87 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.43 1ubh h PHE 76 CO 0.07 0.44 0.00 1.79 -1.61 0.00 0.00 178.31 179.00 1ubh h THR 77 N -0.42 0.00 -0.08 -1.55 1.35 -0.69 -1.63 112.91 109.89 1ubh h THR 77 Ca 0.00 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1ubh h THR 77 Cb 0.44 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1ubh h THR 77 CO 0.00 0.00 -0.00 -0.61 -0.25 0.00 0.00 175.52 174.66 1ubh h GLN 78 N 0.00 0.11 0.00 4.72 4.15 -1.34 0.22 115.11 122.97 1ubh h GLN 78 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ubh h GLN 78 Cb 0.60 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1ubh h GLN 78 CO 0.00 0.13 0.00 0.54 -1.93 0.00 0.00 178.83 177.57 1ubh n ARG 79 N -4.46 0.92 -0.32 1.69 3.00 -0.61 -2.50 116.66 114.37 1ubh n ARG 79 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.89 1ubh n ARG 79 Cb 0.13 -1.14 0.23 0.00 0.00 0.00 0.00 32.46 31.68 1ubh n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1ubh h THR 80 N 0.00 0.83 -1.83 0.55 2.02 -1.02 -3.45 112.91 110.01 1ubh h THR 80 Ca 0.00 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.94 1ubh h THR 80 Cb 0.00 -0.05 -0.23 0.00 -1.74 0.00 0.00 68.15 66.13 1ubh h THR 80 CO 0.00 0.15 0.19 0.00 0.37 0.00 0.00 175.52 176.22 1ubh n GLY 82 N 3.61 -0.40 0.05 0.00 0.00 -1.26 -3.11 105.19 104.08 1ubh n GLY 82 Ca -0.18 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 1ubh n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ubh h VAL 83 N 1.50 0.00 -0.62 1.61 2.07 -1.95 -3.30 116.25 115.56 1ubh h VAL 83 Ca 0.00 -0.97 -0.43 0.00 0.82 0.00 0.00 66.70 66.12 1ubh h VAL 83 Cb 0.64 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.29 1ubh h VAL 83 CO 0.00 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.20 1ubh n THR 85 N 1.75 0.58 0.00 0.00 5.66 -1.18 -3.11 114.28 117.98 1ubh n THR 85 Ca 0.51 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.38 1ubh n THR 85 Cb 0.62 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1ubh n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ubh n TYR 86 N -3.74 0.00 -0.36 1.09 -0.00 -1.26 -4.72 117.16 108.16 1ubh n TYR 86 Ca 0.11 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 58.10 1ubh n TYR 86 Cb 0.52 0.00 0.27 0.00 -0.00 0.00 0.00 39.34 40.13 1ubh n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1ubh h THR 87 N 0.00 0.82 0.05 2.97 1.35 -1.91 0.50 112.91 116.69 1ubh h THR 87 Ca 0.00 -0.31 -0.23 0.00 -0.55 0.00 0.00 66.41 65.32 1ubh h THR 87 Cb 0.00 -0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.27 1ubh h THR 87 CO 0.00 0.16 -1.03 0.45 -0.25 0.00 0.00 175.52 174.85 1ubh h HIS 88 N 0.89 0.42 -0.50 4.73 3.86 -1.85 -0.39 115.15 122.31 1ubh h HIS 88 Ca 0.53 -0.26 0.02 0.00 -1.16 0.00 0.00 60.37 59.51 1ubh h HIS 88 Cb 0.67 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 1ubh h HIS 88 CO -0.01 1.13 0.30 0.00 0.86 0.00 0.00 177.93 180.21 1ubh h ALA 89 N 0.78 0.64 -0.38 2.45 0.00 -1.39 0.56 119.26 121.92 1ubh h ALA 89 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ubh h ALA 89 Cb 1.71 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1ubh h ALA 89 CO 0.17 -0.01 0.21 1.25 0.00 0.00 0.00 179.25 180.87 1ubh h LEU 90 N 0.59 0.47 -0.51 0.00 5.85 -0.81 -0.82 115.31 120.08 1ubh h LEU 90 Ca 0.20 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1ubh h LEU 90 Cb 0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ubh h LEU 90 CO -0.09 0.42 0.13 0.00 -0.34 0.00 0.00 178.44 178.55 1ubh h ALA 91 N 1.07 0.67 -0.47 1.25 0.00 -0.87 0.10 119.26 121.02 1ubh h ALA 91 Ca 0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1ubh h ALA 91 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ubh h ALA 91 CO -0.02 0.36 -0.18 0.77 0.00 0.00 0.00 179.25 180.18 1ubh h SER 92 N 0.71 0.93 -0.37 0.00 0.02 -0.78 0.56 113.55 114.62 1ubh h SER 92 Ca 0.16 -0.33 -0.14 0.00 -0.84 0.00 0.00 61.79 60.64 1ubh h SER 92 Cb 0.32 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1ubh h SER 92 CO 0.00 1.09 -0.31 0.74 -1.14 0.00 0.00 176.83 177.21 1ubh h THR 93 N 0.80 1.28 -0.90 -2.27 2.02 -0.98 0.49 112.91 113.35 1ubh h THR 93 Ca 0.11 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.82 1ubh h THR 93 Cb 0.73 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 1ubh h THR 93 CO 0.06 0.49 0.59 0.03 0.37 0.00 0.00 175.52 177.06 1ubh h ARG 94 N 0.67 1.20 -0.30 6.66 3.08 -0.65 0.25 114.38 125.29 1ubh h ARG 94 Ca 0.07 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1ubh h ARG 94 Cb 0.90 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1ubh h ARG 94 CO 0.08 0.80 0.05 0.00 -1.07 0.00 0.00 179.97 179.84 1ubh h VAL 96 N 0.33 1.49 -0.49 0.00 2.07 -0.69 -0.99 116.25 117.98 1ubh h VAL 96 Ca 0.09 -2.76 0.10 0.00 0.82 0.00 0.00 66.70 64.95 1ubh h VAL 96 Cb 0.33 2.61 -0.09 0.00 -1.52 0.00 0.00 31.29 32.63 1ubh h VAL 96 CO 0.00 0.81 -0.05 0.44 0.02 0.00 0.00 177.57 178.79 1ubh h ASP 97 N 0.12 -0.31 -0.72 0.57 3.45 -0.48 -1.86 116.42 117.18 1ubh h ASP 97 Ca -0.07 0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.47 1ubh h ASP 97 Cb 1.66 0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 40.65 1ubh h ASP 97 CO 0.16 -0.11 0.28 -1.13 -1.57 0.00 0.00 179.24 176.87 1ubh h ASN 98 N 0.06 1.00 0.12 6.45 -0.73 -0.98 -0.63 115.58 120.87 1ubh h ASN 98 Ca 0.24 -0.18 -0.07 0.00 1.87 0.00 0.00 56.30 58.17 1ubh h ASN 98 Cb 0.37 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 1ubh h ASN 98 CO -0.45 0.90 -0.23 0.00 -0.37 0.00 0.00 177.43 177.28 1ubh h ALA 99 N 1.13 1.39 0.00 1.57 0.00 -0.40 -2.69 119.26 120.26 1ubh h ALA 99 Ca 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ubh h ALA 99 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ubh h ALA 99 CO -0.02 0.43 -1.00 0.28 0.00 0.00 0.00 179.25 178.94 1ubh h VAL 100 N 0.19 0.06 -0.54 0.00 2.07 -1.30 -3.43 116.25 113.29 1ubh h VAL 100 Ca 0.03 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.34 1ubh h VAL 100 Cb 0.53 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1ubh h VAL 100 CO 0.04 0.03 -0.12 0.61 0.02 0.00 0.00 177.57 178.15 1ubh n GLY 101 N 1.20 0.42 3.84 2.17 0.00 -0.32 -4.75 105.19 107.74 1ubh n GLY 101 Ca -0.01 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1ubh n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubh s VAL 102 N -2.24 4.85 -0.37 1.61 0.11 -0.71 -5.03 120.40 118.62 1ubh s VAL 102 Ca 0.00 0.92 -0.06 0.00 -2.93 0.00 0.00 61.98 59.91 1ubh s VAL 102 Cb 0.00 -3.77 0.06 0.00 -1.53 0.00 0.00 36.38 31.14 1ubh s VAL 102 CO 0.00 0.35 0.15 -1.00 -3.33 0.00 0.00 175.10 171.27 1ubh s HIS 103 N -1.34 3.32 0.66 1.54 0.09 -1.26 -4.66 115.29 113.64 1ubh s HIS 103 Ca 0.34 -1.62 -0.13 0.00 -0.00 0.00 0.00 55.06 53.66 1ubh s HIS 103 Cb -0.16 -2.57 -0.01 0.00 -0.00 0.00 0.00 32.58 29.84 1ubh s HIS 103 CO 0.19 -0.80 1.06 0.96 -0.00 0.00 0.00 174.74 176.14 1ubh s ILE 104 N 1.36 3.98 0.73 0.60 -4.36 -1.26 -4.88 121.20 117.36 1ubh s ILE 104 Ca 0.01 0.74 -0.15 0.00 -0.26 0.00 0.00 60.65 60.98 1ubh s ILE 104 Cb -0.21 -3.40 0.04 0.00 1.25 0.00 0.00 42.46 40.14 1ubh s ILE 104 CO 0.01 -0.74 1.23 -2.84 0.24 0.00 0.00 174.94 172.84 1ubh s PRO 105 N -4.71 2.10 0.26 0.37 0.02 -1.26 -4.83 135.00 126.96 1ubh s PRO 105 Ca 0.60 1.84 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 1ubh s PRO 105 Cb -0.14 -1.82 0.56 0.00 0.02 0.00 0.00 34.50 33.11 1ubh s PRO 105 CO 0.49 -1.88 1.69 0.87 -0.33 0.00 0.00 177.00 177.84 1ubh h LYS 106 N -0.24 0.32 -0.24 5.54 1.57 -1.93 -0.83 116.57 120.76 1ubh h LYS 106 Ca -0.48 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 1ubh h LYS 106 Cb 1.31 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 1ubh h LYS 106 CO 0.50 0.21 -0.17 -0.91 -0.57 0.00 0.00 179.45 178.51 1ubh h ASN 107 N 0.33 0.41 -0.66 0.86 2.35 -1.92 -0.38 115.58 116.57 1ubh h ASN 107 Ca 0.47 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 56.04 1ubh h ASN 107 Cb 0.83 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 1ubh h ASN 107 CO -0.51 0.60 0.15 0.00 -1.65 0.00 0.00 177.43 176.02 1ubh h ALA 108 N 1.44 0.87 -0.34 -0.83 0.00 -1.37 0.10 119.26 119.14 1ubh h ALA 108 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1ubh h ALA 108 Cb 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ubh h ALA 108 CO 0.03 0.60 0.15 1.15 0.00 0.00 0.00 179.25 181.18 1ubh h THR 109 N 0.99 1.17 -0.39 0.00 2.02 -1.02 0.29 112.91 115.97 1ubh h THR 109 Ca 0.21 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1ubh h THR 109 Cb 0.38 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1ubh h THR 109 CO 0.00 0.18 0.23 1.88 0.37 0.00 0.00 175.52 178.19 1ubh h TYR 110 N 0.40 0.52 -0.34 3.16 0.99 -0.81 -0.50 116.97 120.39 1ubh h TYR 110 Ca 0.11 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 1ubh h TYR 110 Cb 0.15 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.70 1ubh h TYR 110 CO -0.01 0.38 -0.00 0.82 -0.00 0.00 0.00 178.16 179.35 1ubh h ILE 111 N 0.51 1.26 -0.89 -2.88 2.04 -0.87 0.39 117.51 117.07 1ubh h ILE 111 Ca 0.14 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.06 1ubh h ILE 111 Cb 0.02 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1ubh h ILE 111 CO -0.02 0.32 0.57 0.03 0.00 0.00 0.00 178.15 179.05 1ubh h ARG 112 N 0.40 1.08 -0.50 2.37 3.08 -0.88 -1.15 114.38 118.78 1ubh h ARG 112 Ca 0.09 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1ubh h ARG 112 Cb 0.46 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1ubh h ARG 112 CO 0.02 0.71 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.57 1ubh h ASN 113 N 1.11 0.98 -0.49 7.04 -0.26 -0.78 -2.03 115.58 121.16 1ubh h ASN 113 Ca 0.36 -0.34 -0.11 0.00 -0.56 0.00 0.00 56.30 55.65 1ubh h ASN 113 Cb 0.02 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 1ubh h ASN 113 CO -0.12 1.11 -0.13 -0.07 -1.06 0.00 0.00 177.43 177.16 1ubh h LEU 114 N 0.86 0.96 -1.02 1.61 3.38 -0.60 0.66 115.31 121.16 1ubh h LEU 114 Ca 0.13 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1ubh h LEU 114 Cb 0.70 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1ubh h LEU 114 CO 0.05 1.10 0.02 0.58 0.09 0.00 0.00 178.44 180.29 1ubh h VAL 115 N 0.80 1.23 -0.48 1.22 2.07 -1.14 -1.63 116.25 118.33 1ubh h VAL 115 Ca 0.12 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 1ubh h VAL 115 Cb 0.69 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1ubh h VAL 115 CO 0.05 0.32 -0.05 0.25 0.02 0.00 0.00 177.57 178.16 1ubh h LEU 116 N 0.68 0.88 -0.80 2.57 5.85 -1.01 -1.25 115.31 122.23 1ubh h LEU 116 Ca 0.14 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1ubh h LEU 116 Cb 0.40 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1ubh h LEU 116 CO 0.01 1.00 0.40 1.23 -0.34 0.00 0.00 178.44 180.75 1ubh h GLY 117 N 0.73 1.22 1.03 3.75 0.00 -0.60 -1.53 103.07 107.68 1ubh h GLY 117 Ca 0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1ubh h GLY 117 CO 0.04 0.56 0.36 0.00 0.00 0.00 0.00 176.54 177.49 1ubh h ALA 118 N 1.21 1.03 -0.40 3.60 0.00 -1.11 -2.44 119.26 121.15 1ubh h ALA 118 Ca 0.28 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ubh h ALA 118 Cb 0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1ubh h ALA 118 CO -0.04 0.62 0.10 0.37 0.00 0.00 0.00 179.25 180.30 1ubh h GLN 119 N 1.14 0.23 -0.96 0.00 5.75 -0.71 -2.06 115.11 118.50 1ubh h GLN 119 Ca 0.27 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.80 1ubh h GLN 119 Cb 0.16 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.60 1ubh h GLN 119 CO -0.03 0.15 0.62 1.88 -2.65 0.00 0.00 178.83 178.80 1ubh h TYR 120 N 0.24 1.16 -0.14 3.99 -1.99 -0.88 0.02 116.97 119.36 1ubh h TYR 120 Ca 0.19 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.91 1ubh h TYR 120 Cb 0.21 -0.39 -0.00 0.00 2.00 0.00 0.00 36.73 38.55 1ubh h TYR 120 CO -0.18 0.65 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.50 1ubh h LEU 121 N 1.18 0.29 -0.13 3.88 3.38 -0.98 -1.51 115.31 121.42 1ubh h LEU 121 Ca 0.39 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ubh h LEU 121 Cb 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1ubh h LEU 121 CO -0.14 0.63 -0.12 -0.74 0.09 0.00 0.00 178.44 178.16 1ubh h HIS 122 N -0.04 -0.31 0.03 1.13 2.76 -1.23 -2.08 115.15 115.41 1ubh h HIS 122 Ca 0.03 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1ubh h HIS 122 Cb 0.51 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1ubh h HIS 122 CO 0.06 -0.19 -0.02 0.22 -1.30 0.00 0.00 177.93 176.71 1ubh h ASP 123 N -0.15 -0.04 0.01 3.26 1.82 -0.85 -2.02 116.42 118.45 1ubh h ASP 123 Ca 0.09 -0.14 -0.10 0.00 -0.39 0.00 0.00 57.03 56.49 1ubh h ASP 123 Cb 0.28 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 1ubh h ASP 123 CO -0.22 0.11 -0.31 0.45 -1.61 0.00 0.00 179.24 177.66 1ubh h HIS 124 N -0.19 0.50 -0.29 0.28 3.86 -1.31 0.52 115.15 118.52 1ubh h HIS 124 Ca -0.00 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 1ubh h HIS 124 Cb 0.17 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1ubh h HIS 124 CO -0.03 0.70 0.08 0.82 0.86 0.00 0.00 177.93 180.37 1ubh h ILE 125 N 0.38 1.21 -0.64 2.45 2.04 -1.24 -1.31 117.51 120.38 1ubh h ILE 125 Ca 0.05 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1ubh h ILE 125 Cb 0.74 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1ubh h ILE 125 CO 0.06 0.22 0.19 0.58 0.00 0.00 0.00 178.15 179.20 1ubh h VAL 126 N 0.30 1.24 0.01 1.67 2.07 -1.19 -2.11 116.25 118.24 1ubh h VAL 126 Ca 0.09 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ubh h VAL 126 Cb 0.26 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ubh h VAL 126 CO -0.00 0.33 -0.01 -0.74 0.02 0.00 0.00 177.57 177.17 1ubh h HIS 127 N 0.95 -0.02 -0.07 1.57 -0.00 -0.63 0.27 115.15 117.23 1ubh h HIS 127 Ca 0.21 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1ubh h HIS 127 Cb 0.29 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.70 1ubh h HIS 127 CO 0.02 0.12 0.04 0.35 -0.00 0.00 0.00 177.93 178.47 1ubh h PHE 128 N -0.16 0.08 0.05 5.26 3.04 -1.09 0.23 116.94 124.35 1ubh h PHE 128 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ubh h PHE 128 Cb 0.15 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1ubh h PHE 128 CO -0.03 0.06 -0.02 1.88 -2.02 0.00 0.00 178.31 178.18 1ubh h TYR 129 N 0.08 -0.06 0.00 0.41 0.05 -1.36 -0.28 116.97 115.82 1ubh h TYR 129 Ca 0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1ubh h TYR 129 Cb -0.00 0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1ubh h TYR 129 CO -0.07 0.50 -1.08 0.72 -1.05 0.00 0.00 178.16 177.18 1ubh n HIS 130 N -4.75 0.70 -0.09 4.88 8.25 0.92 -3.56 115.22 121.57 1ubh n HIS 130 Ca -0.07 0.20 -0.15 0.00 -0.26 0.00 0.00 57.72 57.45 1ubh n HIS 130 Cb 0.28 -0.79 -0.08 0.00 1.12 0.00 0.00 29.99 30.53 1ubh n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ubh n LEU 131 N -2.45 2.47 -0.03 2.41 4.77 -0.87 -4.85 117.00 118.46 1ubh n LEU 131 Ca 0.00 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1ubh n LEU 131 Cb 0.52 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1ubh n LEU 131 CO 0.40 0.67 -0.83 1.57 -1.33 0.00 0.00 177.39 177.88 1ubh n HIS 132 N -3.28 1.06 0.26 -1.77 -0.00 0.74 -4.54 115.22 107.69 1ubh n HIS 132 Ca -0.33 0.26 0.08 0.00 0.46 0.00 0.00 57.72 58.19 1ubh n HIS 132 Cb 0.81 -1.13 0.65 0.00 -0.12 0.00 0.00 29.99 30.20 1ubh n HIS 132 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ubh h ALA 133 N -0.07 1.94 0.00 1.57 0.00 -1.09 -0.28 119.26 121.32 1ubh h ALA 133 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ubh h ALA 133 Cb 1.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1ubh h ALA 133 CO -0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1ubh n LEU 134 N -4.47 0.00 0.13 0.00 4.77 -1.26 -0.80 117.00 115.37 1ubh n LEU 134 Ca -0.03 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.55 1ubh n LEU 134 Cb 0.10 -0.47 0.45 0.00 -2.33 0.00 0.00 43.42 41.17 1ubh n LEU 134 CO 0.34 -0.29 0.88 0.44 -1.33 0.00 0.00 177.39 177.42 1ubh h ASP 135 N 0.00 0.00 0.00 -1.43 3.32 -1.33 -3.38 116.42 113.60 1ubh h ASP 135 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ubh h ASP 135 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ubh h ASP 135 CO 0.00 0.00 -0.66 0.49 -1.72 0.00 0.00 179.24 177.35 1ubh n PHE 136 N -2.35 0.00 -3.92 4.55 3.01 -0.23 -4.94 117.46 113.58 1ubh n PHE 136 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.14 1ubh n PHE 136 Cb 0.34 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.68 1ubh n PHE 136 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ubh s VAL 137 N -1.35 3.95 -0.86 -4.37 1.01 0.02 -4.56 120.40 114.23 1ubh s VAL 137 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 1ubh s VAL 137 Cb 0.00 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.65 1ubh s VAL 137 CO 0.00 0.40 1.19 -0.62 0.00 0.00 0.00 175.10 176.06 1ubh s ASP 138 N 1.32 6.42 0.24 3.32 -1.08 -1.26 -4.63 116.67 120.99 1ubh s ASP 138 Ca 0.04 -1.42 -0.05 0.00 -0.52 0.00 0.00 52.55 50.61 1ubh s ASP 138 Cb -0.15 -2.47 0.27 0.00 -1.46 0.00 0.00 42.92 39.11 1ubh s ASP 138 CO 0.01 -1.37 1.78 0.58 0.52 0.00 0.00 175.17 176.69 1ubh h VAL 139 N 6.14 1.25 0.00 1.11 2.07 -1.95 -2.64 116.25 122.22 1ubh h VAL 139 Ca -0.00 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1ubh h VAL 139 Cb 1.04 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1ubh h VAL 139 CO 1.23 0.33 -0.30 0.71 0.02 0.00 0.00 177.57 179.57 1ubh h THR 140 N 0.96 0.74 0.00 2.57 1.35 -1.95 -1.64 112.91 114.94 1ubh h THR 140 Ca 0.21 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1ubh h THR 140 Cb 0.30 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1ubh h THR 140 CO -0.01 0.29 0.00 0.00 -0.25 0.00 0.00 175.52 175.55 1ubh n ALA 141 N -2.27 1.70 0.30 6.62 0.00 -1.00 -2.23 120.51 123.63 1ubh n ALA 141 Ca -0.00 0.04 0.17 0.00 0.00 0.00 0.00 53.44 53.64 1ubh n ALA 141 Cb 0.45 -1.35 0.94 0.00 0.00 0.00 0.00 19.45 19.49 1ubh n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubh h ALA 142 N 2.36 1.27 0.00 0.00 0.00 -1.31 -0.96 119.26 120.62 1ubh h ALA 142 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ubh h ALA 142 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ubh h ALA 142 CO 0.00 0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 1ubh h LEU 143 N 0.00 0.00 0.00 0.00 4.07 -1.60 -2.50 115.31 115.28 1ubh h LEU 143 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ubh h LEU 143 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1ubh h LEU 143 CO 0.00 0.00 -0.44 0.29 -1.08 0.00 0.00 178.44 177.21 1ubh n LYS 144 N -2.75 0.03 -2.04 1.13 4.76 -0.36 -4.97 118.16 113.95 1ubh n LYS 144 Ca 0.01 0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.13 1ubh n LYS 144 Cb 0.26 -1.52 0.01 0.00 -1.84 0.00 0.00 35.03 31.94 1ubh n LYS 144 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ubh s ALA 145 N -3.02 2.73 -0.45 7.82 0.00 -0.94 -4.96 121.76 122.93 1ubh s ALA 145 Ca 0.11 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 1ubh s ALA 145 Cb 0.17 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 20.08 1ubh s ALA 145 CO 0.68 -0.82 0.82 0.34 0.00 0.00 0.00 175.76 176.78 1ubh s ASP 146 N -2.76 6.43 0.45 0.00 -1.08 -1.26 -4.96 116.67 113.49 1ubh s ASP 146 Ca 0.64 -0.07 0.22 0.00 -0.52 0.00 0.00 52.55 52.82 1ubh s ASP 146 Cb -0.16 -2.40 1.05 0.00 -1.46 0.00 0.00 42.92 39.95 1ubh s ASP 146 CO 0.37 -0.95 1.91 1.55 0.52 0.00 0.00 175.17 178.57 1ubh h PRO 147 N 9.01 0.00 -0.31 4.34 0.13 -1.94 -0.63 132.00 142.60 1ubh h PRO 147 Ca -0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.79 1ubh h PRO 147 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ubh h PRO 147 CO 0.98 0.24 -0.18 0.00 -0.23 0.00 0.00 178.00 178.80 1ubh h ALA 148 N 1.76 0.44 -0.67 -0.56 0.00 -1.93 0.20 119.26 118.51 1ubh h ALA 148 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ubh h ALA 148 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ubh h ALA 148 CO 0.03 0.36 0.38 -0.22 0.00 0.00 0.00 179.25 179.81 1ubh h LYS 149 N 0.42 0.92 -0.61 0.00 3.64 -1.86 -2.53 116.57 116.56 1ubh h LYS 149 Ca 0.06 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1ubh h LYS 149 Cb 0.72 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1ubh h LYS 149 CO 0.05 0.67 0.33 0.00 -2.27 0.00 0.00 179.45 178.24 1ubh h ALA 150 N 1.19 0.78 -0.80 5.00 0.00 -1.00 -1.75 119.26 122.68 1ubh h ALA 150 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ubh h ALA 150 Cb 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1ubh h ALA 150 CO -0.04 0.30 0.42 0.00 0.00 0.00 0.00 179.25 179.92 1ubh h ALA 151 N 1.16 1.22 -0.35 0.00 0.00 -0.64 -0.72 119.26 119.94 1ubh h ALA 151 Ca 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ubh h ALA 151 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ubh h ALA 151 CO -0.03 0.61 0.22 -0.22 0.00 0.00 0.00 179.25 179.83 1ubh h LYS 152 N 1.13 0.44 -0.11 0.00 3.64 -1.09 -0.55 116.57 120.03 1ubh h LYS 152 Ca 0.28 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1ubh h LYS 152 Cb 0.06 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1ubh h LYS 152 CO -0.04 0.29 0.05 0.28 -2.27 0.00 0.00 179.45 177.75 1ubh h VAL 153 N 0.45 1.13 -0.77 2.00 2.07 -0.90 -2.33 116.25 117.90 1ubh h VAL 153 Ca 0.13 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1ubh h VAL 153 Cb -0.03 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1ubh h VAL 153 CO -0.04 0.12 0.51 0.00 0.02 0.00 0.00 177.57 178.18 1ubh h ALA 154 N 0.90 1.44 0.00 1.67 0.00 -0.94 -2.07 119.26 120.26 1ubh h ALA 154 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ubh h ALA 154 Cb 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ubh h ALA 154 CO -0.00 0.51 0.00 0.77 0.00 0.00 0.00 179.25 180.53 1ubh h SER 155 N 1.05 0.00 1.48 0.00 0.02 -0.94 -3.10 113.55 112.07 1ubh h SER 155 Ca 0.28 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 1ubh h SER 155 Cb -0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1ubh h SER 155 CO -0.06 0.00 -0.53 0.77 -1.14 0.00 0.00 176.83 175.87 1ubh h SER 156 N 0.00 0.00 -0.00 3.07 4.64 -0.82 -3.33 113.55 117.11 1ubh h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubh h SER 156 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1ubh h SER 156 CO 0.00 0.23 -0.81 2.30 -0.87 0.00 0.00 176.83 177.68 1ubh n ILE 157 N -3.03 0.00 -3.90 0.95 -5.35 -1.12 -4.96 119.36 101.95 1ubh n ILE 157 Ca 0.01 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.29 1ubh n ILE 157 Cb 0.64 1.04 -0.11 0.00 -1.74 0.00 0.00 39.64 39.46 1ubh n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ubh s SER 158 N -2.68 0.07 0.44 7.28 0.15 -1.18 -4.75 113.70 113.03 1ubh s SER 158 Ca 0.09 -0.21 0.23 0.00 0.70 0.00 0.00 55.95 56.75 1ubh s SER 158 Cb 0.14 0.17 0.97 0.00 -1.71 0.00 0.00 66.02 65.59 1ubh s SER 158 CO 0.72 -0.27 1.86 1.55 1.20 0.00 0.00 173.24 178.31 1ubh h PRO 159 N 4.80 0.00 -6.18 5.44 0.13 -1.85 -3.42 132.00 130.92 1ubh h PRO 159 Ca -0.30 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.21 1ubh h PRO 159 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1ubh h PRO 159 CO 0.42 0.25 1.20 -2.13 -0.23 0.00 0.00 178.00 177.51 1ubh n ARG 160 N -3.54 1.92 -2.73 0.86 0.63 -1.26 -5.00 116.66 107.54 1ubh n ARG 160 Ca -0.01 0.66 -0.42 0.00 -0.92 0.00 0.00 57.85 57.17 1ubh n ARG 160 Cb 0.40 -2.67 -0.03 0.00 0.45 0.00 0.00 32.46 30.61 1ubh n ARG 160 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ubh s LYS 161 N 4.76 4.51 -0.08 -0.14 1.02 -1.26 -4.49 119.74 124.05 1ubh s LYS 161 Ca 0.97 1.37 0.05 0.00 0.02 0.00 0.00 55.97 58.38 1ubh s LYS 161 Cb -0.69 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.13 1ubh s LYS 161 CO 0.50 -0.13 -0.24 0.99 -0.92 0.00 0.00 175.35 175.54 1ubh s THR 162 N 1.32 2.08 0.39 2.17 2.01 -1.26 -5.04 115.64 117.31 1ubh s THR 162 Ca 0.50 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.54 1ubh s THR 162 Cb -0.20 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1ubh s THR 162 CO 0.24 0.57 0.40 0.42 -0.69 0.00 0.00 174.62 175.56 1ubh s THR 163 N 0.06 3.12 0.24 -0.82 -4.23 -1.26 -4.62 115.64 108.13 1ubh s THR 163 Ca -0.10 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 59.11 1ubh s THR 163 Cb -0.16 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.79 1ubh s THR 163 CO 0.06 -0.06 1.79 0.00 -0.54 0.00 0.00 174.62 175.86 1ubh h ALA 164 N 1.00 1.10 -0.65 3.99 0.00 -1.87 -2.22 119.26 120.60 1ubh h ALA 164 Ca -0.42 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1ubh h ALA 164 Cb 1.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1ubh h ALA 164 CO 0.55 -0.00 0.34 0.00 0.00 0.00 0.00 179.25 180.13 1ubh h ALA 165 N 1.46 1.38 -0.05 0.00 0.00 -1.95 0.19 119.26 120.28 1ubh h ALA 165 Ca 0.38 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ubh h ALA 165 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ubh h ALA 165 CO -0.28 0.50 -0.01 -0.44 0.00 0.00 0.00 179.25 179.03 1ubh h ASP 166 N 0.91 -0.04 0.85 0.00 3.32 -1.82 -0.85 116.42 118.78 1ubh h ASP 166 Ca 0.23 0.01 -0.24 0.00 0.02 0.00 0.00 57.03 57.06 1ubh h ASP 166 Cb 0.05 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1ubh h ASP 166 CO -0.03 -0.01 -1.14 -0.07 -1.72 0.00 0.00 179.24 176.27 1ubh h LEU 167 N 0.01 0.12 -1.33 1.55 3.38 -1.00 -3.04 115.31 115.00 1ubh h LEU 167 Ca 0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ubh h LEU 167 Cb 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1ubh h LEU 167 CO -0.05 1.11 0.36 0.50 0.09 0.00 0.00 178.44 180.45 1ubh h LYS 168 N 0.02 0.81 -0.94 1.13 3.64 -0.47 -1.14 116.57 119.61 1ubh h LYS 168 Ca -0.07 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1ubh h LYS 168 Cb 1.85 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.45 1ubh h LYS 168 CO 0.15 0.57 0.62 0.00 -2.27 0.00 0.00 179.45 178.52 1ubh h ALA 169 N 1.57 1.20 -0.44 5.00 0.00 -1.04 0.16 119.26 125.71 1ubh h ALA 169 Ca 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ubh h ALA 169 Cb -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1ubh h ALA 169 CO -0.04 0.60 0.10 0.28 0.00 0.00 0.00 179.25 180.19 1ubh h VAL 170 N 1.28 1.24 -0.64 0.00 2.07 -1.38 -2.22 116.25 116.60 1ubh h VAL 170 Ca 0.35 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1ubh h VAL 170 Cb -0.14 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1ubh h VAL 170 CO -0.07 0.29 0.27 -0.61 0.02 0.00 0.00 177.57 177.47 1ubh h GLN 171 N 0.57 0.95 -0.47 1.57 4.15 -0.60 -0.63 115.11 120.65 1ubh h GLN 171 Ca 0.14 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1ubh h GLN 171 Cb 0.33 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1ubh h GLN 171 CO 0.00 0.79 0.28 -0.44 -1.93 0.00 0.00 178.83 177.53 1ubh h ASP 172 N 0.90 0.57 -0.36 -0.69 3.45 -0.66 0.27 116.42 119.89 1ubh h ASP 172 Ca 0.22 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1ubh h ASP 172 Cb 0.18 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1ubh h ASP 172 CO -0.02 0.47 0.23 0.50 -1.57 0.00 0.00 179.24 178.85 1ubh h LYS 173 N 0.63 0.48 -0.76 3.56 1.63 -1.02 -1.64 116.57 119.44 1ubh h LYS 173 Ca 0.17 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 1ubh h LYS 173 Cb 0.01 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 1ubh h LYS 173 CO -0.03 0.34 0.26 1.25 -3.45 0.00 0.00 179.45 177.81 1ubh h LEU 174 N 0.48 1.09 -0.35 5.20 6.46 -0.83 -1.76 115.31 125.61 1ubh h LEU 174 Ca 0.13 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1ubh h LEU 174 Cb -0.03 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 1ubh h LEU 174 CO -0.03 1.00 0.17 0.50 -0.62 0.00 0.00 178.44 179.47 1ubh h LYS 175 N 1.13 0.49 -0.69 1.25 3.64 -0.13 0.27 116.57 122.53 1ubh h LYS 175 Ca 0.25 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1ubh h LYS 175 Cb 0.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1ubh h LYS 175 CO -0.01 0.44 0.46 1.15 -2.27 0.00 0.00 179.45 179.21 1ubh h THR 176 N 0.43 1.17 0.03 1.00 2.02 -1.09 -0.32 112.91 116.15 1ubh h THR 176 Ca 0.12 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1ubh h THR 176 Cb 0.10 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1ubh h THR 176 CO -0.02 0.17 -0.03 0.15 0.37 0.00 0.00 175.52 176.16 1ubh h PHE 177 N 0.93 -0.08 -0.49 3.16 3.04 -0.68 -2.89 116.94 119.94 1ubh h PHE 177 Ca 0.26 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.09 1ubh h PHE 177 Cb -0.10 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 1ubh h PHE 177 CO -0.03 -0.05 -0.16 0.28 -2.02 0.00 0.00 178.31 176.33 1ubh h VAL 178 N -0.07 1.27 0.00 1.41 2.07 -0.21 -2.65 116.25 118.06 1ubh h VAL 178 Ca 0.00 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1ubh h VAL 178 Cb 0.07 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1ubh h VAL 178 CO -0.01 0.46 0.00 -0.62 0.02 0.00 0.00 177.57 177.42 1ubh n GLU 179 N -4.17 0.03 0.00 1.57 1.02 -0.15 -1.52 120.64 117.42 1ubh n GLU 179 Ca 0.00 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 1ubh n GLU 179 Cb 0.42 -1.56 0.59 0.00 -0.02 0.00 0.00 31.44 30.87 1ubh n GLU 179 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ubh n THR 180 N -1.62 0.23 -0.37 2.62 -2.24 -1.00 -4.90 114.28 107.00 1ubh n THR 180 Ca 0.03 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1ubh n THR 180 Cb 0.17 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1ubh n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubh n GLY 181 N 0.98 2.08 3.31 3.38 0.00 -0.58 -4.95 105.19 109.42 1ubh n GLY 181 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 1ubh n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubh s GLN 182 N -0.03 3.90 0.00 1.61 -0.21 -1.26 -4.90 119.66 118.78 1ubh s GLN 182 Ca 0.00 -2.96 0.27 0.00 0.02 0.00 0.00 55.36 52.69 1ubh s GLN 182 Cb 0.00 -4.45 1.23 0.00 1.00 0.00 0.00 33.01 30.78 1ubh s GLN 182 CO 0.00 -1.26 1.90 1.28 -2.12 0.00 0.00 175.29 175.09 1ubh n LEU 183 N 3.11 0.00 0.00 2.90 4.32 -1.26 -4.85 117.00 121.22 1ubh n LEU 183 Ca 0.20 0.45 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 1ubh n LEU 183 Cb 0.42 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1ubh n LEU 183 CO 0.41 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 1ubh n GLY 184 N 1.27 3.94 0.00 -0.72 0.00 -1.26 -0.87 105.19 107.54 1ubh n GLY 184 Ca 0.08 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1ubh n GLY 184 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ubh n PRO 185 N 14.00 0.03 -0.12 1.61 -0.05 -1.26 -1.53 135.00 147.68 1ubh n PRO 185 Ca 0.00 0.33 0.12 0.00 -0.05 0.00 0.00 63.50 63.90 1ubh n PRO 185 Cb 0.00 -1.50 0.21 0.00 -0.05 0.00 0.00 33.50 32.16 1ubh n PRO 185 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1ubh n PHE 186 N -1.44 0.32 -1.68 0.54 3.72 -0.05 -4.90 117.46 113.96 1ubh n PHE 186 Ca 0.02 -0.16 -0.45 0.00 -0.05 0.00 0.00 57.45 56.82 1ubh n PHE 186 Cb 0.08 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1ubh n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ubh n THR 187 N 1.29 0.05 -2.12 4.37 -1.04 -0.58 -1.62 114.28 114.63 1ubh n THR 187 Ca 0.18 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.98 1ubh n THR 187 Cb 0.57 -1.71 -0.04 0.00 -1.82 0.00 0.00 70.33 67.34 1ubh n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ubh n ASN 188 N 3.86 -5.55 -4.70 8.00 5.03 -1.26 -4.94 115.26 115.69 1ubh n ASN 188 Ca 0.17 0.18 -0.39 0.00 0.87 0.00 0.00 54.58 55.41 1ubh n ASN 188 Cb 0.31 -4.73 0.04 0.00 -1.02 0.00 0.00 39.78 34.38 1ubh n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ubh n ALA 189 N -0.89 1.18 0.29 5.41 0.00 -0.64 -4.87 120.51 121.00 1ubh n ALA 189 Ca -0.22 0.14 0.16 0.00 0.00 0.00 0.00 53.44 53.51 1ubh n ALA 189 Cb 0.67 -2.28 0.89 0.00 0.00 0.00 0.00 19.45 18.74 1ubh n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ubh h TYR 190 N 1.40 0.00 0.00 0.00 0.99 -1.92 -1.20 116.97 116.25 1ubh h TYR 190 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1ubh h TYR 190 Cb 1.32 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.05 1ubh h TYR 190 CO 0.44 0.04 -0.11 1.97 -0.00 0.00 0.00 178.16 180.51 1ubh n PHE 191 N -3.61 0.25 -1.80 4.88 1.16 -1.26 -4.65 117.46 112.43 1ubh n PHE 191 Ca -0.02 0.07 -0.42 0.00 -1.87 0.00 0.00 57.45 55.21 1ubh n PHE 191 Cb 0.15 -0.58 -0.03 0.00 -1.61 0.00 0.00 39.48 37.41 1ubh n PHE 191 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1ubh s LEU 192 N -3.42 4.38 0.00 5.98 1.43 -0.45 -0.84 118.68 125.75 1ubh s LEU 192 Ca 0.12 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1ubh s LEU 192 Cb 0.17 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1ubh s LEU 192 CO 0.58 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.83 1ubh n GLY 193 N 4.04 0.88 0.00 -3.19 0.00 -1.26 -4.82 105.19 100.84 1ubh n GLY 193 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ubh n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubh n GLY 194 N -2.00 0.08 3.64 -0.02 0.00 -0.02 -5.10 105.19 101.76 1ubh n GLY 194 Ca 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 1ubh n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubh s HIS 195 N -2.95 -1.05 0.53 1.61 5.04 -1.26 -4.83 115.29 112.38 1ubh s HIS 195 Ca 0.00 2.03 0.28 0.00 -1.54 0.00 0.00 55.06 55.82 1ubh s HIS 195 Cb 0.00 0.63 1.65 0.00 0.04 0.00 0.00 32.58 34.90 1ubh s HIS 195 CO 0.00 -0.52 2.19 -1.00 -2.34 0.00 0.00 174.74 173.07 1ubh h PRO 196 N 7.07 0.00 -0.00 2.88 0.13 -1.99 -2.12 132.00 137.97 1ubh h PRO 196 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ubh h PRO 196 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ubh h PRO 196 CO 0.15 0.04 -0.23 0.00 -0.23 0.00 0.00 178.00 177.74 1ubh n ALA 197 N -2.33 2.97 -2.58 -0.56 0.00 -1.26 -4.76 120.51 111.99 1ubh n ALA 197 Ca -0.03 -0.29 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 1ubh n ALA 197 Cb 0.14 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 1ubh n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ubh s TYR 198 N -2.69 3.23 -0.36 0.00 1.51 -0.80 -4.98 117.35 113.26 1ubh s TYR 198 Ca 0.21 0.17 0.11 0.00 -1.01 0.00 0.00 57.07 56.55 1ubh s TYR 198 Cb 0.19 -2.49 -0.13 0.00 -0.11 0.00 0.00 41.96 39.42 1ubh s TYR 198 CO 0.55 -0.24 0.39 0.66 -1.11 0.00 0.00 175.55 175.80 1ubh n TYR 199 N 5.20 0.00 -2.31 2.71 4.01 -1.26 -4.84 117.16 120.67 1ubh n TYR 199 Ca -0.11 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.27 1ubh n TYR 199 Cb 0.51 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.46 1ubh n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ubh s LEU 200 N -2.88 3.88 0.75 7.72 1.43 -1.26 -5.01 118.68 123.31 1ubh s LEU 200 Ca 0.02 2.19 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 1ubh s LEU 200 Cb 0.08 -4.43 0.04 0.00 0.03 0.00 0.00 46.19 41.91 1ubh s LEU 200 CO 0.44 -1.01 1.11 1.51 0.23 0.00 0.00 176.35 178.63 1ubh s ASP 201 N -1.63 4.97 0.29 2.29 1.47 -1.26 -4.85 116.67 117.96 1ubh s ASP 201 Ca 0.68 1.12 0.01 0.00 1.18 0.00 0.00 52.55 55.54 1ubh s ASP 201 Cb -0.25 -1.85 0.53 0.00 -0.34 0.00 0.00 42.92 41.01 1ubh s ASP 201 CO 0.29 -1.64 1.89 -0.65 0.68 0.00 0.00 175.17 175.73 1ubh h PRO 202 N -0.87 1.01 -0.30 2.11 0.11 -1.94 -2.04 132.00 130.08 1ubh h PRO 202 Ca -0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1ubh h PRO 202 Cb 1.27 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1ubh h PRO 202 CO 0.63 0.67 0.07 0.93 -0.21 0.00 0.00 178.00 180.08 1ubh h GLU 203 N 1.04 0.49 -0.58 1.05 3.07 -1.90 0.02 114.58 117.77 1ubh h GLU 203 Ca 0.43 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 59.12 1ubh h GLU 203 Cb 0.29 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1ubh h GLU 203 CO -0.18 0.57 0.16 1.15 -1.40 0.00 0.00 179.01 179.32 1ubh h THR 204 N 0.33 1.23 -0.69 1.13 2.02 -1.89 -0.20 112.91 114.84 1ubh h THR 204 Ca 0.09 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.53 1ubh h THR 204 Cb 0.31 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1ubh h THR 204 CO 0.00 0.30 0.40 0.78 0.37 0.00 0.00 175.52 177.38 1ubh h ASN 205 N 0.85 0.62 -0.45 4.18 -0.26 -1.09 -1.00 115.58 118.43 1ubh h ASN 205 Ca 0.19 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.92 1ubh h ASN 205 Cb 0.27 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.40 1ubh h ASN 205 CO -0.01 0.41 0.17 0.25 -1.06 0.00 0.00 177.43 177.20 1ubh h LEU 206 N 0.76 0.64 -0.27 1.61 5.85 -0.19 -0.29 115.31 123.42 1ubh h LEU 206 Ca 0.30 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1ubh h LEU 206 Cb 0.13 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1ubh h LEU 206 CO -0.16 0.64 0.16 0.40 -0.34 0.00 0.00 178.44 179.15 1ubh h ILE 207 N 0.59 1.04 -0.69 4.05 2.04 -0.82 -0.09 117.51 123.63 1ubh h ILE 207 Ca 0.15 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 1ubh h ILE 207 Cb 0.22 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1ubh h ILE 207 CO -0.01 0.06 0.16 0.00 0.00 0.00 0.00 178.15 178.36 1ubh h ALA 208 N 1.11 0.98 -0.26 1.87 0.00 -1.07 -1.83 119.26 120.06 1ubh h ALA 208 Ca 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ubh h ALA 208 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ubh h ALA 208 CO -0.04 0.66 0.02 1.15 0.00 0.00 0.00 179.25 181.03 1ubh h THR 209 N 1.05 1.25 -0.55 0.00 2.02 -0.81 0.75 112.91 116.62 1ubh h THR 209 Ca 0.22 -0.87 0.09 0.00 0.77 0.00 0.00 66.41 66.62 1ubh h THR 209 Cb 0.37 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 68.01 1ubh h THR 209 CO 0.00 0.28 0.13 0.00 0.37 0.00 0.00 175.52 176.30 1ubh h ALA 210 N 0.83 0.64 -0.02 6.16 0.00 -0.85 -1.40 119.26 124.63 1ubh h ALA 210 Ca 0.08 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1ubh h ALA 210 Cb 0.39 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ubh h ALA 210 CO 0.01 -0.29 -0.68 0.45 0.00 0.00 0.00 179.25 178.74 1ubh h HIS 211 N 0.27 0.12 0.08 0.00 3.86 -1.10 -0.62 115.15 117.77 1ubh h HIS 211 Ca 0.28 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1ubh h HIS 211 Cb 0.38 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 1ubh h HIS 211 CO -0.22 0.74 -0.25 -0.92 0.86 0.00 0.00 177.93 178.14 1ubh h TYR 212 N 0.06 -0.68 -0.20 2.45 3.20 -0.45 0.11 116.97 121.46 1ubh h TYR 212 Ca -0.01 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1ubh h TYR 212 Cb 1.21 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 1ubh h TYR 212 CO 0.01 -0.35 0.09 -0.07 -1.64 0.00 0.00 178.16 176.20 1ubh h LEU 213 N -0.44 0.13 -0.79 2.82 4.07 -1.03 -2.32 115.31 117.75 1ubh h LEU 213 Ca 0.04 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.07 1ubh h LEU 213 Cb 0.48 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.15 1ubh h LEU 213 CO -0.17 0.10 0.47 -0.08 -1.08 0.00 0.00 178.44 177.69 1ubh h GLU 214 N 0.20 0.84 0.00 1.13 4.81 -0.90 -1.74 114.58 118.93 1ubh h GLU 214 Ca 0.08 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1ubh h GLU 214 Cb 0.03 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1ubh h GLU 214 CO -0.07 0.56 -0.11 0.00 -0.73 0.00 0.00 179.01 178.66 1ubh h ALA 215 N 1.39 1.48 -0.66 2.92 0.00 -0.39 -0.76 119.26 123.24 1ubh h ALA 215 Ca 0.35 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ubh h ALA 215 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ubh h ALA 215 CO -0.18 0.14 0.44 -0.07 0.00 0.00 0.00 179.25 179.58 1ubh h LEU 216 N 0.00 0.74 0.05 0.00 3.38 -0.78 -0.40 115.31 118.30 1ubh h LEU 216 Ca -0.00 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 1ubh h LEU 216 Cb 0.26 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1ubh h LEU 216 CO 0.01 0.53 -1.72 0.03 0.09 0.00 0.00 178.44 177.39 1ubh h ARG 217 N 0.87 0.10 -0.64 1.13 3.08 -1.36 -3.36 114.38 114.20 1ubh h ARG 217 Ca 0.25 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1ubh h ARG 217 Cb -0.07 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1ubh h ARG 217 CO -0.06 0.78 0.25 1.25 -1.07 0.00 0.00 179.97 181.12 1ubh h LEU 218 N 0.03 0.86 -2.06 3.04 7.12 -0.98 -2.19 115.31 121.13 1ubh h LEU 218 Ca -0.30 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.58 1ubh h LEU 218 Cb 2.01 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.91 1ubh h LEU 218 CO 0.09 0.77 -0.09 0.06 -0.13 0.00 0.00 178.44 179.15 1ubh h GLN 219 N 0.92 0.00 -0.74 1.25 -0.00 -1.21 -0.77 115.11 114.56 1ubh h GLN 219 Ca 0.22 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.92 1ubh h GLN 219 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.61 1ubh h GLN 219 CO -0.02 0.09 0.45 0.28 -0.00 0.00 0.00 178.83 179.63 1ubh h VAL 220 N 0.00 1.04 -0.34 1.86 2.07 -1.54 -0.49 116.25 118.85 1ubh h VAL 220 Ca -0.00 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.09 1ubh h VAL 220 Cb 0.24 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1ubh h VAL 220 CO 0.01 0.15 -0.33 0.11 0.02 0.00 0.00 177.57 177.53 1ubh h LYS 221 N 0.84 0.83 -0.87 1.57 1.57 -1.25 0.11 116.57 119.36 1ubh h LYS 221 Ca 0.32 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1ubh h LYS 221 Cb 0.12 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1ubh h LYS 221 CO -0.15 1.07 0.45 0.00 -0.57 0.00 0.00 179.45 180.25 1ubh h ALA 222 N 0.74 1.12 -0.22 3.86 0.00 -1.05 -1.99 119.26 121.73 1ubh h ALA 222 Ca 0.06 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1ubh h ALA 222 Cb 0.91 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ubh h ALA 222 CO 0.08 0.66 -0.59 0.00 0.00 0.00 0.00 179.25 179.40 1ubh h ALA 223 N 1.24 0.55 -0.68 0.00 0.00 -1.03 -3.07 119.26 116.27 1ubh h ALA 223 Ca 0.30 -0.53 0.07 0.00 0.00 0.00 0.00 54.91 54.75 1ubh h ALA 223 Cb 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ubh h ALA 223 CO -0.04 0.69 0.45 -0.09 0.00 0.00 0.00 179.25 180.26 1ubh h ARG 224 N 0.53 0.67 -0.88 0.00 2.43 -0.58 -1.39 114.38 115.16 1ubh h ARG 224 Ca 0.00 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1ubh h ARG 224 Cb 1.17 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 1ubh h ARG 224 CO 0.12 0.44 0.57 0.00 -1.51 0.00 0.00 179.97 179.59 1ubh h ALA 225 N 1.63 1.76 -0.38 2.80 0.00 -1.27 -0.23 119.26 123.57 1ubh h ALA 225 Ca 0.30 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1ubh h ALA 225 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ubh h ALA 225 CO -0.10 0.03 -0.15 0.52 0.00 0.00 0.00 179.25 179.55 1ubh h MET 226 N 0.76 0.69 0.00 0.00 2.86 -1.38 -3.11 114.93 114.75 1ubh h MET 226 Ca 0.43 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1ubh h MET 226 Cb 0.58 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1ubh h MET 226 CO -0.19 0.81 -0.26 0.00 1.06 0.00 0.00 176.91 178.33 1ubh h ALA 227 N 1.21 0.96 -0.36 6.32 0.00 -0.99 0.30 119.26 126.70 1ubh h ALA 227 Ca 0.10 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1ubh h ALA 227 Cb 0.61 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1ubh h ALA 227 CO 0.04 0.32 -0.03 0.28 0.00 0.00 0.00 179.25 179.86 1ubh h VAL 228 N 0.00 0.70 0.01 0.00 2.07 -1.31 -1.96 116.25 115.76 1ubh h VAL 228 Ca -0.00 -0.02 -0.33 0.00 0.82 0.00 0.00 66.70 67.16 1ubh h VAL 228 Cb 0.87 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1ubh h VAL 228 CO 0.03 0.01 -2.02 0.49 0.02 0.00 0.00 177.57 176.11 1ubh n PHE 229 N -5.22 0.61 -0.48 1.57 3.72 -1.22 -4.68 117.46 111.77 1ubh n PHE 229 Ca 0.02 0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.73 1ubh n PHE 229 Cb 0.19 -1.11 0.34 0.00 -0.94 0.00 0.00 39.48 37.97 1ubh n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubh n GLY 230 N 1.70 2.59 3.75 1.37 0.00 0.11 -4.79 105.19 109.92 1ubh n GLY 230 Ca -0.25 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1ubh n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubh n ALA 231 N 1.49 0.00 -3.57 4.61 0.00 -0.75 -0.92 120.51 121.38 1ubh n ALA 231 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.62 1ubh n ALA 231 Cb 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 1ubh n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ubh s LYS 232 N 0.00 0.55 -0.02 0.00 -2.85 -1.26 -4.87 119.74 111.29 1ubh s LYS 232 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.93 1ubh s LYS 232 Cb 0.00 0.26 0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1ubh s LYS 232 CO 0.00 -0.21 0.02 1.21 0.10 0.00 0.00 175.35 176.47 1ubh s ASN 233 N -1.71 0.19 0.60 0.03 3.04 -1.26 -3.17 114.94 112.66 1ubh s ASN 233 Ca 0.03 0.02 -0.15 0.00 0.04 0.00 0.00 52.86 52.80 1ubh s ASN 233 Cb -0.01 -0.12 -0.03 0.00 -1.54 0.00 0.00 41.25 39.55 1ubh s ASN 233 CO -0.04 -0.12 1.06 -2.84 -3.04 0.00 0.00 177.10 172.13 1ubh s PRO 234 N 1.04 3.25 0.00 0.43 0.02 -1.26 -5.00 135.00 133.47 1ubh s PRO 234 Ca -0.09 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.14 1ubh s PRO 234 Cb -0.13 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1ubh s PRO 234 CO -0.02 -0.87 0.00 0.72 -0.33 0.00 0.00 177.00 176.50 1ubh n HIS 235 N -2.11 0.00 -0.77 6.54 8.25 -1.26 -5.02 115.22 120.85 1ubh n HIS 235 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 1ubh n HIS 235 Cb 0.53 -1.21 0.16 0.00 1.12 0.00 0.00 29.99 30.59 1ubh n HIS 235 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ubh n THR 236 N -0.13 0.43 -2.94 1.59 -2.24 -1.19 -4.69 114.28 105.10 1ubh n THR 236 Ca 0.00 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 1ubh n THR 236 Cb 0.00 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 1ubh n THR 236 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1ubh n GLN 237 N -3.96 0.79 0.00 -0.78 7.27 -0.09 -4.90 117.38 115.71 1ubh n GLN 237 Ca 0.12 -2.43 0.00 0.00 0.07 0.00 0.00 57.00 54.77 1ubh n GLN 237 Cb 0.52 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.82 1ubh n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1ubh n PHE 238 N 1.33 0.00 -3.67 3.69 1.16 -1.26 -4.65 117.46 114.06 1ubh n PHE 238 Ca 0.14 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.38 1ubh n PHE 238 Cb 0.60 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.42 1ubh n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ubh s THR 239 N 0.00 5.20 0.05 1.97 -4.23 -1.26 -1.27 115.64 116.10 1ubh s THR 239 Ca 0.00 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1ubh s THR 239 Cb 0.00 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 1ubh s THR 239 CO 0.00 0.32 0.05 0.68 -0.54 0.00 0.00 174.62 175.13 1ubh s VAL 240 N -1.35 0.17 0.22 2.29 -7.23 -0.93 -4.89 120.40 108.67 1ubh s VAL 240 Ca 0.30 -1.40 -0.32 0.00 -1.81 0.00 0.00 61.98 58.75 1ubh s VAL 240 Cb -0.14 -1.20 -0.14 0.00 0.56 0.00 0.00 36.38 35.46 1ubh s VAL 240 CO 0.17 -0.77 1.41 0.52 -0.31 0.00 0.00 175.10 176.12 1ubh n VAL 241 N 0.38 0.79 0.00 1.32 0.31 -1.26 -1.86 118.33 118.01 1ubh n VAL 241 Ca -0.16 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1ubh n VAL 241 Cb 0.60 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1ubh n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubh n GLY 242 N 2.33 1.73 0.00 2.92 0.00 -1.26 -4.85 105.19 106.06 1ubh n GLY 242 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ubh n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubh n GLY 243 N -2.00 -0.54 3.24 -0.02 0.00 -0.77 -1.10 105.19 104.00 1ubh n GLY 243 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1ubh n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubh s VAL 244 N 0.00 0.39 -0.47 1.61 -7.23 -0.57 -2.18 120.40 111.94 1ubh s VAL 244 Ca 0.00 -1.98 0.13 0.00 -1.81 0.00 0.00 61.98 58.32 1ubh s VAL 244 Cb 0.00 -2.38 -0.16 0.00 0.56 0.00 0.00 36.38 34.40 1ubh s VAL 244 CO 0.00 -0.20 0.50 0.35 -0.31 0.00 0.00 175.10 175.44 1ubh n THR 245 N -0.30 0.00 -2.67 5.32 -2.24 -0.39 -4.23 114.28 109.76 1ubh n THR 245 Ca -0.02 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 1ubh n THR 245 Cb 0.65 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1ubh n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubh h TYR 247 N 6.75 0.21 0.00 0.00 -1.99 -1.96 0.22 116.97 120.20 1ubh h TYR 247 Ca 0.37 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.11 1ubh h TYR 247 Cb 0.79 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.46 1ubh h TYR 247 CO 1.21 0.09 -0.00 0.22 -0.00 0.00 0.00 178.16 179.67 1ubh h ASP 248 N 0.19 0.00 0.59 3.88 -0.00 -1.98 -1.94 116.42 117.16 1ubh h ASP 248 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.30 1ubh h ASP 248 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.13 1ubh h ASP 248 CO -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.20 1ubh n ALA 249 N -2.09 1.62 0.60 -0.78 0.00 0.77 -1.72 120.51 118.91 1ubh n ALA 249 Ca -0.02 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1ubh n ALA 249 Cb 0.14 -1.31 0.38 0.00 0.00 0.00 0.00 19.45 18.65 1ubh n ALA 249 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ubh h LEU 250 N 0.00 0.00-10.04 0.00 3.38 -1.50 -3.41 115.31 103.73 1ubh h LEU 250 Ca 0.00 -0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.48 1ubh h LEU 250 Cb 0.29 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.07 1ubh h LEU 250 CO 0.00 0.01 0.39 0.42 0.09 0.00 0.00 178.44 179.35 1ubh s THR 251 N -3.11 3.78 0.39 0.22 -4.23 -0.70 -4.94 115.64 107.05 1ubh s THR 251 Ca 0.10 1.18 0.10 0.00 -1.18 0.00 0.00 61.69 61.89 1ubh s THR 251 Cb 0.12 -3.52 0.32 0.00 1.34 0.00 0.00 72.50 70.76 1ubh s THR 251 CO 0.61 -0.17 1.94 -0.65 -0.54 0.00 0.00 174.62 175.81 1ubh h PRO 252 N 1.84 0.58 -0.18 3.99 0.11 -1.90 -1.87 132.00 134.58 1ubh h PRO 252 Ca -0.49 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1ubh h PRO 252 Cb 1.22 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ubh h PRO 252 CO 0.60 0.38 -0.14 1.96 -0.21 0.00 0.00 178.00 180.59 1ubh h GLN 253 N 0.60 0.41 -0.36 1.05 7.50 -1.92 0.65 115.11 123.04 1ubh h GLN 253 Ca 0.34 -0.20 -0.11 0.00 0.50 0.00 0.00 58.65 59.17 1ubh h GLN 253 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 1ubh h GLN 253 CO -0.12 0.75 -0.24 0.00 -1.50 0.00 0.00 178.83 177.72 1ubh h ARG 254 N 0.07 0.72 -0.77 1.46 2.47 -1.74 -0.93 114.38 115.66 1ubh h ARG 254 Ca 0.03 -0.29 -0.05 0.00 -1.26 0.00 0.00 59.98 58.41 1ubh h ARG 254 Cb 0.67 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.92 1ubh h ARG 254 CO 0.04 0.89 0.30 0.82 0.56 0.00 0.00 179.97 182.58 1ubh h ILE 255 N 0.63 1.26 -0.58 2.04 2.04 -1.20 -0.89 117.51 120.80 1ubh h ILE 255 Ca 0.09 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 1ubh h ILE 255 Cb 0.74 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1ubh h ILE 255 CO 0.06 0.33 0.09 0.00 0.00 0.00 0.00 178.15 178.64 1ubh h ALA 256 N 1.16 1.07 -0.11 1.87 0.00 -0.50 0.40 119.26 123.16 1ubh h ALA 256 Ca 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ubh h ALA 256 Cb 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ubh h ALA 256 CO -0.02 0.60 -0.00 1.49 0.00 0.00 0.00 179.25 181.32 1ubh h GLU 257 N 0.88 0.19 -0.34 0.00 4.81 -0.68 -0.54 114.58 118.90 1ubh h GLU 257 Ca 0.18 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 1ubh h GLU 257 Cb 0.39 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 1ubh h GLU 257 CO 0.01 0.45 -0.10 0.35 -0.73 0.00 0.00 179.01 179.00 1ubh h PHE 258 N -0.09 -0.21 -0.92 0.92 3.04 -1.04 -2.49 116.94 116.14 1ubh h PHE 258 Ca 0.03 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.04 1ubh h PHE 258 Cb 0.37 0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.97 1ubh h PHE 258 CO 0.04 -0.16 0.60 1.49 -2.02 0.00 0.00 178.31 178.26 1ubh h GLU 259 N -0.02 1.16 -0.49 1.11 4.81 -0.59 0.66 114.58 121.21 1ubh h GLU 259 Ca 0.16 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1ubh h GLU 259 Cb 0.27 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1ubh h GLU 259 CO -0.36 0.77 0.09 0.00 -0.73 0.00 0.00 179.01 178.78 1ubh h ALA 260 N 1.36 0.65 -0.43 2.92 0.00 -0.86 0.12 119.26 123.03 1ubh h ALA 260 Ca 0.36 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1ubh h ALA 260 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ubh h ALA 260 CO -0.10 0.38 -0.06 -0.07 0.00 0.00 0.00 179.25 179.39 1ubh h LEU 261 N 0.69 0.81 -0.32 0.00 3.38 -1.05 -2.50 115.31 116.31 1ubh h LEU 261 Ca 0.15 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1ubh h LEU 261 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1ubh h LEU 261 CO 0.01 0.96 0.14 -0.25 0.09 0.00 0.00 178.44 179.38 1ubh h TRP 262 N 0.64 0.25 -0.75 1.13 7.01 -0.71 -0.23 115.95 123.30 1ubh h TRP 262 Ca 0.12 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1ubh h TRP 262 Cb 0.58 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.54 1ubh h TRP 262 CO 0.05 0.13 0.46 0.87 -2.79 0.00 0.00 178.44 177.16 1ubh h LYS 263 N 0.30 1.01 -0.37 2.65 1.57 -0.60 0.10 116.57 121.23 1ubh h LYS 263 Ca 0.14 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1ubh h LYS 263 Cb 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1ubh h LYS 263 CO -0.12 0.70 -0.27 1.49 -0.57 0.00 0.00 179.45 180.68 1ubh h GLU 264 N 1.02 0.77 -0.32 3.15 4.81 -1.29 -1.32 114.58 121.40 1ubh h GLU 264 Ca 0.27 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1ubh h GLU 264 Cb -0.06 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1ubh h GLU 264 CO -0.05 0.95 0.07 1.15 -0.73 0.00 0.00 179.01 180.40 1ubh h THR 265 N 0.66 1.22 -0.81 0.32 2.02 -0.36 -2.26 112.91 113.70 1ubh h THR 265 Ca 0.08 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1ubh h THR 265 Cb 0.79 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1ubh h THR 265 CO 0.07 0.25 0.39 0.50 0.37 0.00 0.00 175.52 177.10 1ubh h LYS 266 N 0.36 1.15 -0.88 6.66 3.64 -0.70 -1.01 116.57 125.79 1ubh h LYS 266 Ca 0.10 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1ubh h LYS 266 Cb 0.31 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1ubh h LYS 266 CO 0.00 0.88 0.49 0.00 -2.27 0.00 0.00 179.45 178.55 1ubh h ALA 267 N 1.28 1.12 -0.54 5.00 0.00 -1.14 0.50 119.26 125.48 1ubh h ALA 267 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ubh h ALA 267 Cb 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1ubh h ALA 267 CO -0.04 0.62 0.21 0.35 0.00 0.00 0.00 179.25 180.39 1ubh h PHE 268 N 1.22 0.83 -0.23 0.00 3.04 -0.76 0.50 116.94 121.55 1ubh h PHE 268 Ca 0.31 -0.07 0.05 0.00 3.98 0.00 0.00 57.97 62.24 1ubh h PHE 268 Cb 0.02 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.23 1ubh h PHE 268 CO 0.01 0.69 -0.05 0.28 -2.02 0.00 0.00 178.31 177.21 1ubh h VAL 269 N 0.74 0.78 -0.04 1.41 2.07 -0.74 -0.24 116.25 120.24 1ubh h VAL 269 Ca 0.18 -0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.49 1ubh h VAL 269 Cb 0.22 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ubh h VAL 269 CO -0.01 0.00 -0.86 0.44 0.02 0.00 0.00 177.57 177.16 1ubh h ASP 270 N 0.01 0.54 0.00 0.57 3.45 -0.56 -0.72 116.42 119.71 1ubh h ASP 270 Ca 0.11 -0.40 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1ubh h ASP 270 Cb 0.16 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1ubh h ASP 270 CO -0.23 1.18 -1.58 -0.62 -1.57 0.00 0.00 179.24 176.42 1ubh n GLU 271 N -3.79 0.64 0.07 3.56 1.02 0.14 -4.47 120.64 117.80 1ubh n GLU 271 Ca -0.06 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1ubh n GLU 271 Cb 0.78 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1ubh n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ubh n VAL 272 N -1.95 0.82 0.46 2.62 0.31 -0.20 -4.71 118.33 115.69 1ubh n VAL 272 Ca -0.01 0.27 -0.19 0.00 -0.01 0.00 0.00 64.34 64.40 1ubh n VAL 272 Cb 0.44 -1.25 -0.09 0.00 -0.91 0.00 0.00 33.84 32.03 1ubh n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1ubh h TYR 273 N 0.00 -1.08 -0.41 3.52 3.20 -1.30 -2.12 116.97 118.78 1ubh h TYR 273 Ca 0.00 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1ubh h TYR 273 Cb 0.00 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1ubh h TYR 273 CO 0.00 -0.67 0.17 0.82 -1.64 0.00 0.00 178.16 176.84 1ubh h ILE 274 N -1.21 1.20 -0.93 1.81 1.08 -1.37 0.10 117.51 118.19 1ubh h ILE 274 Ca -0.12 -0.60 0.10 0.00 -0.39 0.00 0.00 64.86 63.85 1ubh h ILE 274 Cb 0.90 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 35.41 1ubh h ILE 274 CO 0.20 0.22 0.60 -0.65 -0.69 0.00 0.00 178.15 177.82 1ubh h PRO 275 N 0.52 0.90 -0.46 2.37 0.11 -1.78 -0.91 132.00 132.74 1ubh h PRO 275 Ca 0.14 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 1ubh h PRO 275 Cb 0.18 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1ubh h PRO 275 CO -0.01 0.60 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.84 1ubh h ASP 276 N 0.93 0.89 -0.58 -2.05 3.32 -0.86 -1.27 116.42 116.80 1ubh h ASP 276 Ca 0.43 -0.35 0.08 0.00 0.02 0.00 0.00 57.03 57.21 1ubh h ASP 276 Cb 0.41 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.66 1ubh h ASP 276 CO -0.19 1.04 0.22 0.25 -1.72 0.00 0.00 179.24 178.83 1ubh h LEU 277 N 0.73 0.23 -0.34 1.55 5.85 -0.52 -0.09 115.31 122.72 1ubh h LEU 277 Ca 0.12 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1ubh h LEU 277 Cb 0.64 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1ubh h LEU 277 CO 0.04 0.15 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.92 1ubh h LEU 278 N 0.41 0.86 -0.23 2.25 4.07 -0.90 -0.30 115.31 121.46 1ubh h LEU 278 Ca 0.29 -0.46 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1ubh h LEU 278 Cb 0.33 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1ubh h LEU 278 CO -0.28 1.14 0.11 0.58 -1.08 0.00 0.00 178.44 178.90 1ubh h VAL 279 N 0.59 1.15 -0.59 1.22 2.07 -0.90 -0.54 116.25 119.24 1ubh h VAL 279 Ca 0.06 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1ubh h VAL 279 Cb 0.88 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1ubh h VAL 279 CO 0.08 0.14 0.24 0.58 0.02 0.00 0.00 177.57 178.63 1ubh h VAL 280 N 0.24 1.23 -0.84 2.57 2.07 -0.98 -2.26 116.25 118.28 1ubh h VAL 280 Ca 0.08 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1ubh h VAL 280 Cb 0.13 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1ubh h VAL 280 CO -0.01 0.27 0.46 0.00 0.02 0.00 0.00 177.57 178.32 1ubh h ALA 281 N 1.09 1.24 -0.16 1.67 0.00 -0.88 -1.72 119.26 120.50 1ubh h ALA 281 Ca 0.20 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ubh h ALA 281 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ubh h ALA 281 CO -0.02 0.62 -0.27 0.00 0.00 0.00 0.00 179.25 179.59 1ubh h ALA 282 N 1.34 1.26 0.00 0.00 0.00 -0.83 -2.51 119.26 118.52 1ubh h ALA 282 Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ubh h ALA 282 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ubh h ALA 282 CO -0.05 0.49 -0.13 0.00 0.00 0.00 0.00 179.25 179.56 1ubh h ALA 283 N 1.47 0.92 -0.93 0.00 0.00 -0.80 -3.31 119.26 116.60 1ubh h ALA 283 Ca 0.04 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.23 1ubh h ALA 283 Cb 0.61 -0.02 -0.38 0.00 0.00 0.00 0.00 17.79 18.00 1ubh h ALA 283 CO 0.04 0.17 -0.26 0.66 0.00 0.00 0.00 179.25 179.85 1ubh n TYR 284 N -3.14 2.98 0.30 0.00 4.02 -0.71 -4.82 117.16 115.80 1ubh n TYR 284 Ca 0.03 -2.55 0.15 0.00 -0.01 0.00 0.00 57.90 55.52 1ubh n TYR 284 Cb 0.58 -0.64 0.68 0.00 -0.02 0.00 0.00 39.34 39.94 1ubh n TYR 284 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1ubh h LYS 285 N 2.24 0.00 0.00 -0.72 3.64 -1.56 0.49 116.57 120.66 1ubh h LYS 285 Ca 0.43 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1ubh h LYS 285 Cb 1.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1ubh h LYS 285 CO 1.02 0.00 -0.01 0.38 -2.27 0.00 0.00 179.45 178.58 1ubh h ASP 286 N 0.00 0.00 0.00 4.20 -0.00 -1.88 -2.29 116.42 116.45 1ubh h ASP 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ubh h ASP 286 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.58 1ubh h ASP 286 CO 0.00 0.01 0.00 0.79 -0.00 0.00 0.00 179.24 180.04 1ubh n TRP 287 N -3.14 0.00 0.88 4.15 7.02 0.16 -1.49 117.44 125.01 1ubh n TRP 287 Ca -0.02 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.57 1ubh n TRP 287 Cb 0.16 0.00 0.50 0.00 -2.42 0.00 0.00 31.31 29.55 1ubh n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ubh n THR 288 N -0.89 0.43 1.00 -0.99 -2.24 -0.86 -2.31 114.28 108.41 1ubh n THR 288 Ca 0.15 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 1ubh n THR 288 Cb 0.07 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 1ubh n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubh n GLN 289 N -1.40 0.94 -4.34 -0.78 1.13 -0.56 -4.70 117.38 107.67 1ubh n GLN 289 Ca 0.08 -0.77 -0.22 0.00 -1.94 0.00 0.00 57.00 54.15 1ubh n GLN 289 Cb 0.22 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 28.97 1ubh n GLN 289 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ubh s TYR 290 N -2.60 1.86 -1.04 1.08 2.02 -1.24 -4.88 117.35 112.55 1ubh s TYR 290 Ca 0.16 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1ubh s TYR 290 Cb 0.18 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 1ubh s TYR 290 CO 0.64 0.34 0.45 0.41 -1.57 0.00 0.00 175.55 175.83 1ubh n GLY 291 N 0.32 -0.12 3.82 0.71 0.00 -1.18 -0.48 105.19 108.26 1ubh n GLY 291 Ca -0.13 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1ubh n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubh s GLY 292 N -2.85 1.66 0.15 -0.02 0.00 -1.24 -3.68 107.32 101.34 1ubh s GLY 292 Ca 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.97 1ubh s GLY 292 CO 0.28 0.36 0.06 -0.51 0.00 0.00 0.00 173.10 173.29 1ubh s THR 293 N -3.07 0.16 -0.26 0.90 -4.23 -1.26 -4.13 115.64 103.75 1ubh s THR 293 Ca 0.58 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1ubh s THR 293 Cb -0.14 -2.13 -0.16 0.00 1.34 0.00 0.00 72.50 71.40 1ubh s THR 293 CO 0.55 -0.39 -0.22 0.47 -0.54 0.00 0.00 174.62 174.49 1ubh n ASP 294 N -0.14 1.98 -4.24 3.99 8.00 -1.26 -4.88 116.55 120.00 1ubh n ASP 294 Ca -0.04 -0.01 -0.25 0.00 0.71 0.00 0.00 54.79 55.20 1ubh n ASP 294 Cb 0.64 -0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 41.07 1ubh n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ubh s ASN 295 N -6.77 2.40 -0.01 -2.24 0.01 -1.26 -0.96 114.94 106.12 1ubh s ASN 295 Ca -0.35 -0.52 0.02 0.00 -0.71 0.00 0.00 52.86 51.30 1ubh s ASN 295 Cb 0.10 -0.19 -0.00 0.00 0.41 0.00 0.00 41.25 41.56 1ubh s ASN 295 CO 0.58 0.15 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.90 1ubh s PHE 296 N -0.81 0.58 -0.01 2.20 0.40 -0.13 -0.84 117.98 119.37 1ubh s PHE 296 Ca 0.07 -0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1ubh s PHE 296 Cb -0.09 -0.37 -0.00 0.00 0.51 0.00 0.00 43.02 43.07 1ubh s PHE 296 CO 0.02 -0.01 -0.05 -1.50 0.70 0.00 0.00 175.22 174.37 1ubh s ILE 297 N -0.14 0.43 -0.07 0.64 2.07 -0.49 -0.66 121.20 122.98 1ubh s ILE 297 Ca 0.02 -0.22 -0.15 0.00 -1.41 0.00 0.00 60.65 58.90 1ubh s ILE 297 Cb -0.03 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.22 1ubh s ILE 297 CO -0.00 0.13 0.35 0.28 -1.91 0.00 0.00 174.94 173.79 1ubh s THR 298 N -0.02 0.03 -0.93 4.00 -1.32 -0.78 -4.32 115.64 112.29 1ubh s THR 298 Ca 0.01 -0.24 0.19 0.00 -1.21 0.00 0.00 61.69 60.44 1ubh s THR 298 Cb -0.03 -0.59 -0.19 0.00 -1.51 0.00 0.00 72.50 70.18 1ubh s THR 298 CO -0.00 -0.13 0.81 0.49 -2.21 0.00 0.00 174.62 173.58 1ubh n PHE 299 N 1.99 0.00 -0.10 9.09 0.99 -1.26 -1.62 117.46 126.55 1ubh n PHE 299 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.28 1ubh n PHE 299 Cb 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 39.04 1ubh n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ubh n GLY 300 N 1.44 -2.71 3.40 1.37 0.00 -1.26 -3.89 105.19 103.54 1ubh n GLY 300 Ca 0.04 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1ubh n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ubh s GLU 301 N -3.27 1.09 -0.18 1.61 2.56 -0.36 -3.39 118.70 116.76 1ubh s GLU 301 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.97 54.66 1ubh s GLU 301 Cb 0.00 0.50 -0.00 0.00 2.00 0.00 0.00 34.13 36.63 1ubh s GLU 301 CO 0.00 -0.41 0.17 1.19 -0.56 0.00 0.00 175.26 175.64 1ubh n PHE 302 N 0.20 -0.68 -2.39 5.30 3.01 -1.26 -1.61 117.46 120.03 1ubh n PHE 302 Ca -0.18 0.26 -0.35 0.00 1.01 0.00 0.00 57.45 58.19 1ubh n PHE 302 Cb 0.61 -2.16 -0.02 0.00 -0.01 0.00 0.00 39.48 37.90 1ubh n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ubh s PRO 303 N -3.03 3.64 -0.07 -1.08 0.04 -1.26 -2.03 135.00 131.22 1ubh s PRO 303 Ca 0.01 1.54 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1ubh s PRO 303 Cb -0.00 -2.14 -0.25 0.00 0.04 0.00 0.00 34.50 32.15 1ubh s PRO 303 CO 0.17 -0.59 0.58 0.87 0.04 0.00 0.00 177.00 178.07 1ubh h LYS 304 N 1.56 0.12 -4.42 4.56 1.79 -1.86 -3.47 116.57 114.86 1ubh h LYS 304 Ca -0.50 -0.21 -0.59 0.00 -2.18 0.00 0.00 60.65 57.18 1ubh h LYS 304 Cb 1.24 0.08 -0.37 0.00 -1.58 0.00 0.00 32.23 31.60 1ubh h LYS 304 CO 0.59 0.82 -0.81 0.34 -1.08 0.00 0.00 179.45 179.31 1ubh s ASP 305 N -6.53 3.07 0.45 0.86 3.68 -1.26 -5.02 116.67 111.92 1ubh s ASP 305 Ca -0.12 -0.74 0.31 0.00 2.13 0.00 0.00 52.55 54.13 1ubh s ASP 305 Cb 0.07 -1.10 1.59 0.00 -1.45 0.00 0.00 42.92 42.04 1ubh s ASP 305 CO 0.81 -0.15 1.93 -0.33 0.13 0.00 0.00 175.17 177.56 1ubh h GLU 306 N 8.04 0.00 -0.45 4.34 4.39 -1.96 -1.93 114.58 127.00 1ubh h GLU 306 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1ubh h GLU 306 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ubh h GLU 306 CO 0.45 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.96 1ubh n TYR 307 N -2.60 0.60 -3.62 4.33 4.02 -1.26 -4.85 117.16 113.78 1ubh n TYR 307 Ca -0.01 -0.46 -0.28 0.00 -0.01 0.00 0.00 57.90 57.14 1ubh n TYR 307 Cb 0.09 -0.02 -0.16 0.00 -0.02 0.00 0.00 39.34 39.24 1ubh n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ubh s ASP 308 N -1.03 3.14 0.57 7.72 3.68 -0.73 -4.97 116.67 125.06 1ubh s ASP 308 Ca 0.32 -1.05 0.26 0.00 2.13 0.00 0.00 52.55 54.21 1ubh s ASP 308 Cb 0.17 -0.43 1.62 0.00 -1.45 0.00 0.00 42.92 42.83 1ubh s ASP 308 CO 0.22 -0.39 2.16 -0.07 0.13 0.00 0.00 175.17 177.23 1ubh h LEU 309 N 8.34 0.00 -0.08 -1.34 3.38 -1.89 -1.41 115.31 122.30 1ubh h LEU 309 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ubh h LEU 309 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ubh h LEU 309 CO 0.38 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.50 1ubh n ASN 310 N -4.01 0.12 -0.27 -0.43 5.03 -1.26 -2.25 115.26 112.19 1ubh n ASN 310 Ca -0.00 -1.08 0.14 0.00 0.87 0.00 0.00 54.58 54.51 1ubh n ASN 310 Cb 0.21 -0.00 0.58 0.00 -1.02 0.00 0.00 39.78 39.55 1ubh n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ubh n SER 311 N -0.88 0.93 -4.83 6.41 3.41 -0.53 -4.94 113.62 113.18 1ubh n SER 311 Ca 0.23 -1.08 -0.33 0.00 -0.26 0.00 0.00 58.87 57.43 1ubh n SER 311 Cb 0.13 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1ubh n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ubh s ARG 312 N -2.21 4.11 0.25 4.33 0.52 -0.96 -2.86 118.95 122.13 1ubh s ARG 312 Ca 0.35 0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 56.41 1ubh s ARG 312 Cb 0.21 -2.29 0.31 0.00 0.52 0.00 0.00 34.95 33.70 1ubh s ARG 312 CO 0.41 0.03 1.90 0.35 0.02 0.00 0.00 175.30 178.02 1ubh h PHE 313 N 1.98 1.19 -3.15 -0.53 3.57 -0.69 -3.35 116.94 115.96 1ubh h PHE 313 Ca -0.48 0.03 -0.65 0.00 3.53 0.00 0.00 57.97 60.40 1ubh h PHE 313 Cb 1.18 -0.40 -0.14 0.00 2.79 0.00 0.00 35.95 39.38 1ubh h PHE 313 CO 0.62 0.69 -0.56 -0.06 -2.23 0.00 0.00 178.31 176.77 1ubh s PHE 314 N -6.09 3.30 0.11 0.41 0.08 -0.98 -4.98 117.98 109.83 1ubh s PHE 314 Ca -0.13 0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 1ubh s PHE 314 Cb 0.19 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1ubh s PHE 314 CO 0.81 0.37 0.28 0.15 -0.10 0.00 0.00 175.22 176.73 1ubh s LYS 315 N -0.31 3.49 0.87 0.44 1.02 -1.26 -1.23 119.74 122.76 1ubh s LYS 315 Ca 0.08 -0.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.58 1ubh s LYS 315 Cb -0.12 -2.96 0.12 0.00 -0.52 0.00 0.00 37.83 34.34 1ubh s LYS 315 CO 0.02 0.54 1.09 -1.25 -0.92 0.00 0.00 175.35 174.83 1ubh s PRO 316 N -2.76 1.43 0.00 -1.68 0.04 -1.25 -3.98 135.00 126.80 1ubh s PRO 316 Ca 0.37 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1ubh s PRO 316 Cb -0.12 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1ubh s PRO 316 CO 0.28 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.55 1ubh n GLY 317 N -0.91 0.53 2.96 0.56 0.00 -0.64 -4.81 105.19 102.89 1ubh n GLY 317 Ca 0.08 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 1ubh n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubh s VAL 318 N -2.00 0.65 -0.05 1.61 1.01 -0.61 -1.86 120.40 119.15 1ubh s VAL 318 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1ubh s VAL 318 Cb 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1ubh s VAL 318 CO 0.00 0.22 -0.09 -0.69 0.00 0.00 0.00 175.10 174.54 1ubh s VAL 319 N 0.36 0.86 -0.11 2.92 1.01 0.17 -0.42 120.40 125.19 1ubh s VAL 319 Ca -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1ubh s VAL 319 Cb -0.09 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1ubh s VAL 319 CO 0.00 0.29 -0.02 -0.36 0.00 0.00 0.00 175.10 175.01 1ubh s PHE 320 N 0.67 3.09 -1.49 5.22 0.08 -1.26 -0.96 117.98 123.33 1ubh s PHE 320 Ca -0.12 0.03 -0.10 0.00 0.12 0.00 0.00 56.93 56.86 1ubh s PHE 320 Cb -0.14 -1.84 0.07 0.00 -0.57 0.00 0.00 43.02 40.54 1ubh s PHE 320 CO 0.02 0.29 0.86 1.63 -0.10 0.00 0.00 175.22 177.93 1ubh n LYS 321 N 2.60 -5.00 -1.93 0.44 4.76 -0.50 -1.44 118.16 117.08 1ubh n LYS 321 Ca -0.18 0.57 -0.19 0.00 -2.87 0.00 0.00 58.31 55.64 1ubh n LYS 321 Cb 0.53 -5.31 -0.05 0.00 -1.84 0.00 0.00 35.03 28.36 1ubh n LYS 321 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ubh n ARG 322 N -4.55 -1.60 -2.86 1.97 1.74 -0.13 -4.90 116.66 106.34 1ubh n ARG 322 Ca -0.05 1.01 -0.44 0.00 -0.77 0.00 0.00 57.85 57.60 1ubh n ARG 322 Cb 0.57 -5.50 -0.00 0.00 -1.02 0.00 0.00 32.46 26.51 1ubh n ARG 322 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ubh s ASP 323 N -2.34 7.02 0.00 0.55 3.68 -0.52 -4.75 116.67 120.31 1ubh s ASP 323 Ca 0.00 -2.86 0.30 0.00 2.13 0.00 0.00 52.55 52.11 1ubh s ASP 323 Cb 0.00 -2.45 1.38 0.00 -1.45 0.00 0.00 42.92 40.40 1ubh s ASP 323 CO 0.00 -0.85 1.98 0.49 0.13 0.00 0.00 175.17 176.92 1ubh n PHE 324 N 6.33 0.00 0.38 -5.34 3.72 -1.26 -1.85 117.46 119.44 1ubh n PHE 324 Ca 0.40 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.92 1ubh n PHE 324 Cb 0.44 -0.36 0.30 0.00 -0.94 0.00 0.00 39.48 38.92 1ubh n PHE 324 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ubh h LYS 325 N 0.03 0.00 -2.22 -1.08 6.56 -1.95 -3.33 116.57 114.58 1ubh h LYS 325 Ca 0.00 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.00 1ubh h LYS 325 Cb 0.37 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 31.61 1ubh h LYS 325 CO 0.00 0.00 -0.68 0.09 -2.06 0.00 0.00 179.45 176.80 1ubh n ASN 326 N -2.76 3.83 -4.72 0.86 3.02 -0.77 -5.07 115.26 109.65 1ubh n ASN 326 Ca 0.04 -3.52 -0.42 0.00 -0.03 0.00 0.00 54.58 50.65 1ubh n ASN 326 Cb 0.47 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1ubh n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ubh s ILE 327 N -3.49 2.70 0.11 2.41 1.01 -1.25 -4.78 121.20 117.91 1ubh s ILE 327 Ca 0.45 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.57 1ubh s ILE 327 Cb 0.23 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1ubh s ILE 327 CO -0.09 0.04 0.32 -0.54 0.00 0.00 0.00 174.94 174.67 1ubh s LYS 328 N 1.13 3.56 0.53 2.79 -0.14 0.44 -4.93 119.74 123.12 1ubh s LYS 328 Ca 0.69 -0.20 -0.20 0.00 -1.36 0.00 0.00 55.97 54.90 1ubh s LYS 328 Cb -0.43 -2.91 -0.06 0.00 -1.68 0.00 0.00 37.83 32.75 1ubh s LYS 328 CO 0.31 0.52 1.17 -1.25 -0.76 0.00 0.00 175.35 175.34 1ubh s PRO 329 N -2.59 3.35 -0.40 -1.68 0.04 -1.26 -1.57 135.00 130.88 1ubh s PRO 329 Ca 0.39 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.90 1ubh s PRO 329 Cb -0.12 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1ubh s PRO 329 CO 0.26 -0.88 1.05 0.12 0.04 0.00 0.00 177.00 177.58 1ubh s PHE 330 N -1.63 3.00 -0.42 0.56 5.36 -1.26 -4.69 117.98 118.90 1ubh s PHE 330 Ca 0.71 0.87 -0.12 0.00 -0.96 0.00 0.00 56.93 57.44 1ubh s PHE 330 Cb -0.28 -3.97 0.06 0.00 -0.34 0.00 0.00 43.02 38.49 1ubh s PHE 330 CO 0.32 -0.99 0.28 0.34 -1.46 0.00 0.00 175.22 173.72 1ubh s ASP 331 N 2.04 5.82 0.18 6.13 3.68 -1.26 -4.98 116.67 128.28 1ubh s ASP 331 Ca 0.44 -1.30 0.18 0.00 2.13 0.00 0.00 52.55 54.00 1ubh s ASP 331 Cb -0.10 -2.06 0.82 0.00 -1.45 0.00 0.00 42.92 40.13 1ubh s ASP 331 CO 0.23 -0.52 1.55 2.29 0.13 0.00 0.00 175.17 178.84 1ubh n LYS 332 N 5.02 0.11 0.00 4.34 2.85 -1.26 -1.60 118.16 127.63 1ubh n LYS 332 Ca -0.11 0.45 0.14 0.00 -1.05 0.00 0.00 58.31 57.74 1ubh n LYS 332 Cb 0.44 -1.77 0.65 0.00 -0.65 0.00 0.00 35.03 33.70 1ubh n LYS 332 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1ubh n MET 333 N -1.99 0.48 -0.27 -1.58 2.81 -1.26 -3.78 117.12 111.52 1ubh n MET 333 Ca 0.01 -0.11 0.09 0.00 -1.81 0.00 0.00 57.70 55.89 1ubh n MET 333 Cb 0.14 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.40 1ubh n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ubh n GLN 334 N -1.17 2.31 -3.11 0.03 1.13 -0.63 -4.86 117.38 111.08 1ubh n GLN 334 Ca 0.13 -2.02 -0.40 0.00 -1.94 0.00 0.00 57.00 52.77 1ubh n GLN 334 Cb 0.27 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 29.12 1ubh n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ubh s ILE 335 N -1.28 5.03 0.02 5.09 1.01 -1.25 -1.75 121.20 128.08 1ubh s ILE 335 Ca 0.38 1.24 0.03 0.00 0.00 0.00 0.00 60.65 62.31 1ubh s ILE 335 Cb 0.20 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1ubh s ILE 335 CO 0.26 0.15 -0.10 -1.61 0.00 0.00 0.00 174.94 173.65 1ubh s GLU 336 N 1.59 0.70 -0.24 2.79 2.02 -0.39 -4.14 118.70 121.02 1ubh s GLU 336 Ca 0.31 -0.57 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 1ubh s GLU 336 Cb -0.16 -0.63 -0.03 0.00 0.10 0.00 0.00 34.13 33.41 1ubh s GLU 336 CO 0.12 0.16 0.06 -1.21 0.02 0.00 0.00 175.26 174.40 1ubh s GLU 337 N -0.89 3.64 0.33 1.61 2.02 0.19 -0.52 118.70 125.07 1ubh s GLU 337 Ca -0.01 -0.49 -0.18 0.00 0.02 0.00 0.00 54.97 54.31 1ubh s GLU 337 Cb -0.06 -3.29 -0.09 0.00 0.10 0.00 0.00 34.13 30.78 1ubh s GLU 337 CO 0.00 -0.17 0.80 -1.01 0.02 0.00 0.00 175.26 174.90 1ubh s HIS 338 N 1.56 3.43 0.00 1.61 3.76 0.21 -1.48 115.29 124.38 1ubh s HIS 338 Ca 0.06 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 1ubh s HIS 338 Cb -0.15 -2.65 0.00 0.00 1.11 0.00 0.00 32.58 30.89 1ubh s HIS 338 CO 0.03 0.10 0.31 1.33 -0.85 0.00 0.00 174.74 175.66 1ubh n VAL 339 N -0.17 0.00 -0.18 -0.90 0.24 -1.26 -1.01 118.33 115.05 1ubh n VAL 339 Ca 0.03 -0.37 0.18 0.00 -2.04 0.00 0.00 64.34 62.14 1ubh n VAL 339 Cb 0.53 1.21 0.53 0.00 -1.47 0.00 0.00 33.84 34.64 1ubh n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ubh h ARG 340 N 0.00 0.35 -0.28 7.34 9.65 -1.76 -0.54 114.38 129.14 1ubh h ARG 340 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1ubh h ARG 340 Cb 0.11 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1ubh h ARG 340 CO 0.00 0.23 0.00 0.72 2.80 0.00 0.00 179.97 183.72 1ubh n HIS 341 N -4.47 0.92 -4.28 2.20 8.25 -1.26 -4.65 115.22 111.93 1ubh n HIS 341 Ca 0.16 -0.83 -0.24 0.00 -0.26 0.00 0.00 57.72 56.55 1ubh n HIS 341 Cb 0.61 -0.29 -0.08 0.00 1.12 0.00 0.00 29.99 31.36 1ubh n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ubh s SER 342 N -1.81 4.39 -1.45 0.41 0.01 -0.21 -1.76 113.70 113.28 1ubh s SER 342 Ca 0.40 -0.80 -0.08 0.00 1.31 0.00 0.00 55.95 56.78 1ubh s SER 342 Cb 0.32 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1ubh s SER 342 CO 0.10 -0.12 2.79 0.79 0.41 0.00 0.00 173.24 177.20 1ubh n TRP 343 N -0.94 2.39 -4.28 2.43 8.01 -0.19 -4.82 117.44 120.03 1ubh n TRP 343 Ca -0.05 -2.93 -0.15 0.00 -1.31 0.00 0.00 57.50 53.05 1ubh n TRP 343 Cb 0.60 -2.22 -0.10 0.00 -2.01 0.00 0.00 31.31 27.58 1ubh n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1ubh s TYR 344 N 0.92 1.39 0.24 -5.99 1.51 -1.23 -0.39 117.35 113.80 1ubh s TYR 344 Ca 0.64 -0.79 -0.31 0.00 -1.01 0.00 0.00 57.07 55.60 1ubh s TYR 344 Cb 0.19 -0.73 -0.11 0.00 -0.11 0.00 0.00 41.96 41.19 1ubh s TYR 344 CO -0.07 0.07 1.63 -1.21 -1.11 0.00 0.00 175.55 174.86 1ubh s GLU 345 N -3.77 4.15 2.64 -0.62 2.02 -0.16 -4.62 118.70 118.34 1ubh s GLU 345 Ca 0.21 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.73 1ubh s GLU 345 Cb 0.03 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1ubh s GLU 345 CO 0.03 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.06 1ubh n GLY 346 N 3.14 -0.56 0.00 -1.39 0.00 -1.26 -4.64 105.19 100.48 1ubh n GLY 346 Ca 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1ubh n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubh n ALA 347 N 3.18 0.98 -2.65 4.61 0.00 -1.26 -4.28 120.51 121.10 1ubh n ALA 347 Ca 0.00 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1ubh n ALA 347 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ubh n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ubh s GLU 348 N 0.00 4.20 0.52 0.00 2.12 -1.26 -4.36 118.70 119.92 1ubh s GLU 348 Ca 0.00 0.68 -0.20 0.00 0.36 0.00 0.00 54.97 55.81 1ubh s GLU 348 Cb 0.00 -3.60 -0.07 0.00 0.26 0.00 0.00 34.13 30.72 1ubh s GLU 348 CO 0.00 -0.31 1.09 0.00 -0.54 0.00 0.00 175.26 175.50 1ubh s ALA 349 N 2.14 2.76 -0.01 6.30 0.00 -1.26 -4.45 121.76 127.25 1ubh s ALA 349 Ca 0.30 0.74 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1ubh s ALA 349 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1ubh s ALA 349 CO 0.10 -0.60 -0.04 1.03 0.00 0.00 0.00 175.76 176.25 1ubh s ARG 350 N -3.27 0.43 0.29 0.00 1.81 -0.55 -4.85 118.95 112.81 1ubh s ARG 350 Ca 0.71 -0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 54.28 1ubh s ARG 350 Cb -0.21 -0.44 -0.11 0.00 -0.45 0.00 0.00 34.95 33.74 1ubh s ARG 350 CO 0.24 0.06 1.54 -1.58 -0.68 0.00 0.00 175.30 174.89 1ubh s HIS 351 N 0.12 2.80 0.61 -0.53 5.65 -1.26 -0.64 115.29 122.05 1ubh s HIS 351 Ca -0.01 0.88 0.32 0.00 0.25 0.00 0.00 55.06 56.50 1ubh s HIS 351 Cb -0.05 -4.00 1.81 0.00 -1.18 0.00 0.00 32.58 29.17 1ubh s HIS 351 CO -0.00 -3.30 2.16 -1.35 -0.65 0.00 0.00 174.74 171.60 1ubh h PRO 352 N 4.70 0.00 0.00 2.88 0.11 -1.95 0.11 132.00 137.85 1ubh h PRO 352 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ubh h PRO 352 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ubh h PRO 352 CO 0.77 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.47 1ubh n TRP 353 N -3.62 0.00 -1.82 0.65 8.01 -1.26 -2.09 117.44 117.31 1ubh n TRP 353 Ca -0.00 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.24 1ubh n TRP 353 Cb 0.24 -0.49 0.13 0.00 -2.01 0.00 0.00 31.31 29.17 1ubh n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ubh n LYS 354 N -1.49 0.94 -1.27 -0.99 5.02 0.32 -4.95 118.16 115.73 1ubh n LYS 354 Ca 0.04 -2.62 -0.32 0.00 -2.02 0.00 0.00 58.31 53.40 1ubh n LYS 354 Cb 0.20 -1.03 0.09 0.00 -0.02 0.00 0.00 35.03 34.27 1ubh n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ubh s GLY 355 N -2.63 1.79 -0.01 0.72 0.00 -0.78 -4.68 107.32 101.73 1ubh s GLY 355 Ca 0.33 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1ubh s GLY 355 CO -0.08 0.75 -0.02 1.20 0.00 0.00 0.00 173.10 174.95 1ubh s GLN 356 N -4.68 0.30 -0.42 2.90 -0.21 -1.26 -5.03 119.66 111.27 1ubh s GLN 356 Ca 0.64 -0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.98 1ubh s GLN 356 Cb -0.19 -0.36 0.13 0.00 1.00 0.00 0.00 33.01 33.59 1ubh s GLN 356 CO 0.53 -0.01 0.23 0.99 -2.12 0.00 0.00 175.29 174.91 1ubh s THR 357 N 0.34 1.15 -0.58 -0.19 2.01 -1.26 -5.05 115.64 112.07 1ubh s THR 357 Ca -0.03 -2.35 0.04 0.00 0.31 0.00 0.00 61.69 59.66 1ubh s THR 357 Cb -0.06 -1.81 0.15 0.00 0.01 0.00 0.00 72.50 70.79 1ubh s THR 357 CO -0.01 -0.90 0.36 -1.10 -0.69 0.00 0.00 174.62 172.29 1ubh s GLN 358 N 0.54 1.97 0.41 4.92 -0.21 -1.26 -4.87 119.66 121.16 1ubh s GLN 358 Ca 0.17 -2.78 -0.26 0.00 0.02 0.00 0.00 55.36 52.51 1ubh s GLN 358 Cb -0.24 -3.02 -0.09 0.00 1.00 0.00 0.00 33.01 30.67 1ubh s GLN 358 CO -0.00 -1.22 1.35 -1.25 -2.12 0.00 0.00 175.29 172.04 1ubh s PRO 359 N -0.65 3.93 -0.28 2.91 0.04 -1.26 -0.99 135.00 138.70 1ubh s PRO 359 Ca 0.22 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.53 1ubh s PRO 359 Cb -0.14 -2.76 0.17 0.00 0.04 0.00 0.00 34.50 31.81 1ubh s PRO 359 CO -0.09 -0.56 0.48 0.21 0.04 0.00 0.00 177.00 177.08 1ubh s LYS 360 N -2.26 0.46 0.03 4.56 2.47 0.48 -4.68 119.74 120.80 1ubh s LYS 360 Ca 0.57 0.48 -0.25 0.00 -1.56 0.00 0.00 55.97 55.21 1ubh s LYS 360 Cb -0.40 -0.06 -0.05 0.00 -1.46 0.00 0.00 37.83 35.86 1ubh s LYS 360 CO 0.52 -0.87 0.77 -0.47 0.16 0.00 0.00 175.35 175.45 1ubh s TYR 361 N 2.67 3.71 0.00 4.03 5.04 -1.26 -3.53 117.35 128.01 1ubh s TYR 361 Ca 0.13 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 1ubh s TYR 361 Cb -0.13 -2.83 0.00 0.00 0.35 0.00 0.00 41.96 39.35 1ubh s TYR 361 CO -0.24 0.24 0.77 0.25 -1.34 0.00 0.00 175.55 175.23 1ubh n THR 362 N 2.98 0.60 -0.64 4.34 -2.24 -1.26 -5.10 114.28 112.95 1ubh n THR 362 Ca -0.02 -0.68 0.08 0.00 -2.27 0.00 0.00 64.05 61.16 1ubh n THR 362 Cb 0.50 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1ubh n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ubh n ASP 363 N -0.30 -3.82 -4.62 3.42 4.64 -1.26 -3.63 116.55 110.97 1ubh n ASP 363 Ca 0.00 0.38 -0.43 0.00 -1.38 0.00 0.00 54.79 53.36 1ubh n ASP 363 Cb 0.25 -2.01 -0.03 0.00 -1.04 0.00 0.00 41.12 38.29 1ubh n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ubh s LEU 364 N -5.35 3.84 -1.04 -2.67 1.43 -1.26 -1.48 118.68 112.16 1ubh s LEU 364 Ca 0.00 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 1ubh s LEU 364 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ubh s LEU 364 CO 0.00 -1.43 0.00 1.41 0.23 0.00 0.00 176.35 176.56 1ubh n HIS 365 N 9.24 0.00 -2.09 0.29 8.25 0.48 -4.99 115.22 126.41 1ubh n HIS 365 Ca 0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 1ubh n HIS 365 Cb 0.45 -2.04 -0.03 0.00 1.12 0.00 0.00 29.99 29.48 1ubh n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ubh s GLY 366 N -2.68 1.64 -1.52 -1.41 0.00 -0.55 -1.91 107.32 100.90 1ubh s GLY 366 Ca 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 44.72 45.62 1ubh s GLY 366 CO 0.00 2.81 0.29 1.34 0.00 0.00 0.00 173.10 177.54 1ubh n ASP 367 N 6.29 -5.39 -1.56 1.64 4.64 -1.26 -1.83 116.55 119.08 1ubh n ASP 367 Ca 0.15 -0.13 -0.14 0.00 -1.38 0.00 0.00 54.79 53.29 1ubh n ASP 367 Cb 0.43 -4.44 -0.02 0.00 -1.04 0.00 0.00 41.12 36.05 1ubh n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1ubh n ASP 368 N -2.21 -4.46 -4.46 1.67 4.64 -0.80 -4.94 116.55 105.99 1ubh n ASP 368 Ca -0.15 0.05 -0.33 0.00 -1.38 0.00 0.00 54.79 52.98 1ubh n ASP 368 Cb 0.63 -3.55 -0.13 0.00 -1.04 0.00 0.00 41.12 37.03 1ubh n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ubh s ARG 369 N -4.48 2.54 0.00 -0.67 0.52 -0.76 -4.48 118.95 111.62 1ubh s ARG 369 Ca 0.00 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1ubh s ARG 369 Cb 0.00 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 33.09 1ubh s ARG 369 CO 0.00 0.60 0.52 2.48 0.02 0.00 0.00 175.30 178.91 1ubh n TYR 370 N 2.39 0.00 -3.60 -0.53 4.11 -0.73 -0.38 117.16 118.42 1ubh n TYR 370 Ca -0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.57 1ubh n TYR 370 Cb 0.52 0.11 -0.07 0.00 -0.00 0.00 0.00 39.34 39.90 1ubh n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1ubh s SER 371 N -0.26 -0.49 0.12 9.48 0.15 -1.24 -4.17 113.70 117.29 1ubh s SER 371 Ca 0.00 0.48 0.26 0.00 0.70 0.00 0.00 55.95 57.39 1ubh s SER 371 Cb 0.00 0.46 0.81 0.00 -1.71 0.00 0.00 66.02 65.58 1ubh s SER 371 CO 0.00 -0.56 1.70 0.79 1.20 0.00 0.00 173.24 176.37 1ubh n TRP 372 N 1.00 0.53 -2.44 3.44 7.02 -0.69 -1.02 117.44 125.27 1ubh n TRP 372 Ca -0.20 0.15 -0.41 0.00 -1.02 0.00 0.00 57.50 56.03 1ubh n TRP 372 Cb 0.57 -0.71 -0.04 0.00 -2.42 0.00 0.00 31.31 28.71 1ubh n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ubh s MET 373 N -3.08 4.54 0.86 -0.99 -1.94 -1.26 -4.81 119.30 112.63 1ubh s MET 373 Ca 0.11 1.80 -0.11 0.00 -1.71 0.00 0.00 55.69 55.77 1ubh s MET 373 Cb 0.15 -3.26 0.11 0.00 2.01 0.00 0.00 34.83 33.84 1ubh s MET 373 CO 0.61 -0.00 1.09 0.15 -0.01 0.00 0.00 175.02 176.86 1ubh s LYS 374 N -0.34 1.52 -0.52 2.03 1.02 -1.26 -4.44 119.74 117.75 1ubh s LYS 374 Ca 0.51 0.76 0.00 0.00 0.02 0.00 0.00 55.97 57.27 1ubh s LYS 374 Cb -0.31 -1.84 0.13 0.00 -0.52 0.00 0.00 37.83 35.29 1ubh s LYS 374 CO 0.36 -2.05 0.29 0.00 -0.92 0.00 0.00 175.35 173.03 1ubh s ALA 375 N -3.01 3.33 0.23 5.17 0.00 -0.18 -4.26 121.76 123.04 1ubh s ALA 375 Ca 0.63 -3.06 -0.30 0.00 0.00 0.00 0.00 51.96 49.23 1ubh s ALA 375 Cb -0.17 -2.36 -0.09 0.00 0.00 0.00 0.00 23.12 20.50 1ubh s ALA 375 CO 0.56 -1.97 1.26 -2.14 0.00 0.00 0.00 175.76 173.47 1ubh s PRO 376 N 0.17 4.44 0.01 0.00 0.02 -1.26 -0.62 135.00 137.76 1ubh s PRO 376 Ca 0.15 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.21 1ubh s PRO 376 Cb -0.22 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 31.10 1ubh s PRO 376 CO -0.03 -0.15 -0.10 1.03 -0.33 0.00 0.00 177.00 177.42 1ubh s ARG 377 N -0.57 0.74 -0.26 5.54 1.81 0.32 -4.65 118.95 121.87 1ubh s ARG 377 Ca 0.53 -0.48 -0.05 0.00 -1.72 0.00 0.00 55.73 54.01 1ubh s ARG 377 Cb -0.36 -0.70 0.00 0.00 -0.45 0.00 0.00 34.95 33.45 1ubh s ARG 377 CO 0.41 0.18 0.02 -0.47 -0.68 0.00 0.00 175.30 174.76 1ubh s TYR 378 N -0.52 3.08 -1.48 -0.53 6.14 -0.55 -1.27 117.35 122.23 1ubh s TYR 378 Ca 0.01 -1.00 -0.15 0.00 0.64 0.00 0.00 57.07 56.57 1ubh s TYR 378 Cb -0.05 -2.18 0.12 0.00 0.42 0.00 0.00 41.96 40.27 1ubh s TYR 378 CO 0.00 -0.57 0.65 -1.33 0.64 0.00 0.00 175.55 174.94 1ubh n MET 379 N 4.82 -3.19 -0.97 4.97 2.81 -0.72 -0.88 117.12 123.96 1ubh n MET 379 Ca -0.16 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1ubh n MET 379 Cb 0.49 -5.10 0.00 0.00 -0.71 0.00 0.00 33.22 27.90 1ubh n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubh n GLY 380 N -1.26 0.76 3.71 3.03 0.00 -1.26 -5.04 105.19 105.14 1ubh n GLY 380 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1ubh n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubh s GLU 381 N -0.11 2.85 0.07 1.61 0.41 -0.06 -4.96 118.70 118.51 1ubh s GLU 381 Ca 0.00 -0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 53.66 1ubh s GLU 381 Cb 0.00 -2.71 -0.05 0.00 -1.78 0.00 0.00 34.13 29.58 1ubh s GLU 381 CO 0.00 0.62 1.05 -1.25 -0.49 0.00 0.00 175.26 175.20 1ubh s PRO 382 N -1.71 4.56 -0.11 0.39 0.04 -1.26 -1.48 135.00 135.43 1ubh s PRO 382 Ca 0.21 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1ubh s PRO 382 Cb -0.12 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.06 1ubh s PRO 382 CO 0.12 -0.02 -0.14 -1.64 0.04 0.00 0.00 177.00 175.36 1ubh s MET 383 N 0.54 2.16 0.27 4.56 -1.94 -1.26 -4.48 119.30 119.15 1ubh s MET 383 Ca 0.52 -0.53 -0.29 0.00 -1.71 0.00 0.00 55.69 53.67 1ubh s MET 383 Cb -0.25 -1.88 -0.10 0.00 2.01 0.00 0.00 34.83 34.61 1ubh s MET 383 CO 0.30 -0.10 1.27 -2.00 -0.01 0.00 0.00 175.02 174.48 1ubh s GLU 384 N 1.10 4.43 0.22 2.03 2.12 -0.02 -4.25 118.70 124.33 1ubh s GLU 384 Ca -0.04 2.07 0.03 0.00 0.36 0.00 0.00 54.97 57.39 1ubh s GLU 384 Cb -0.14 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1ubh s GLU 384 CO -0.03 -0.13 -0.01 -0.08 -0.54 0.00 0.00 175.26 174.47 1ubh s THR 385 N -0.64 0.98 0.00 -1.70 -1.32 -1.26 -1.40 115.64 110.29 1ubh s THR 385 Ca 0.51 -2.03 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 1ubh s THR 385 Cb -0.37 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 1ubh s THR 385 CO 0.45 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1ubh n GLY 386 N -0.38 0.09 0.36 6.08 0.00 -1.06 -4.67 105.19 105.61 1ubh n GLY 386 Ca -0.06 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.77 1ubh n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubh h PRO 387 N 3.39 0.97 -0.52 1.61 0.11 -1.83 0.64 132.00 136.37 1ubh h PRO 387 Ca 0.00 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1ubh h PRO 387 Cb 0.00 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.88 1ubh h PRO 387 CO 0.00 0.64 -0.06 1.25 -0.21 0.00 0.00 178.00 179.61 1ubh h LEU 388 N 0.99 0.95 -0.42 2.35 5.85 -1.86 0.42 115.31 123.61 1ubh h LEU 388 Ca 0.49 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1ubh h LEU 388 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1ubh h LEU 388 CO -0.26 1.06 0.12 0.00 -0.34 0.00 0.00 178.44 179.02 1ubh h ALA 389 N 0.92 0.55 -0.54 1.25 0.00 -1.63 -0.77 119.26 119.04 1ubh h ALA 389 Ca 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ubh h ALA 389 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ubh h ALA 389 CO 0.04 0.21 0.16 0.37 0.00 0.00 0.00 179.25 180.03 1ubh h GLN 390 N 0.53 0.84 -0.09 0.00 4.15 -0.65 -1.56 115.11 118.33 1ubh h GLN 390 Ca 0.13 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1ubh h GLN 390 Cb 0.28 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1ubh h GLN 390 CO -0.00 0.78 -0.04 0.28 -1.93 0.00 0.00 178.83 177.92 1ubh h VAL 391 N 0.75 1.31 -0.48 2.39 2.07 -0.90 -0.77 116.25 120.62 1ubh h VAL 391 Ca 0.17 -1.02 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 1ubh h VAL 391 Cb 0.29 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1ubh h VAL 391 CO -0.00 0.29 -0.18 -0.07 0.02 0.00 0.00 177.57 177.63 1ubh h LEU 392 N -0.17 0.97 -0.17 2.57 3.38 -1.11 0.69 115.31 121.47 1ubh h LEU 392 Ca 0.02 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1ubh h LEU 392 Cb 0.47 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ubh h LEU 392 CO 0.01 1.12 -0.15 0.40 0.09 0.00 0.00 178.44 179.91 1ubh h ILE 393 N 0.83 1.34 -0.21 1.22 2.04 -1.32 -1.62 117.51 119.79 1ubh h ILE 393 Ca 0.12 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.73 1ubh h ILE 393 Cb 0.73 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 1ubh h ILE 393 CO 0.06 0.39 -0.08 0.00 0.00 0.00 0.00 178.15 178.52 1ubh h ALA 394 N 0.63 0.11 -0.51 1.87 0.00 -1.02 -0.03 119.26 120.31 1ubh h ALA 394 Ca 0.03 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1ubh h ALA 394 Cb 0.68 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1ubh h ALA 394 CO 0.04 -0.50 -0.21 -0.92 0.00 0.00 0.00 179.25 177.66 1ubh h TYR 395 N -0.04 -0.51 0.00 0.00 3.20 -0.79 -1.51 116.97 117.33 1ubh h TYR 395 Ca 0.11 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1ubh h TYR 395 Cb 0.20 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1ubh h TYR 395 CO -0.25 -0.29 -0.02 0.77 -1.64 0.00 0.00 178.16 176.73 1ubh h SER 396 N -0.09 0.00 0.08 -2.11 0.02 -0.57 -0.87 113.55 110.02 1ubh h SER 396 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1ubh h SER 396 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1ubh h SER 396 CO -0.57 0.02 -0.03 0.00 -1.14 0.00 0.00 176.83 175.11 1ubh n GLN 397 N -3.14 1.18 -0.99 3.45 6.02 -0.09 -4.94 117.38 118.87 1ubh n GLN 397 Ca -0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 1ubh n GLN 397 Cb 0.27 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1ubh n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubh n GLY 398 N 1.14 0.61 3.63 1.08 0.00 -0.33 -4.99 105.19 106.34 1ubh n GLY 398 Ca 0.20 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1ubh n GLY 398 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubh s HIS 399 N -2.00 1.49 0.29 1.61 5.04 -0.68 -4.86 115.29 116.17 1ubh s HIS 399 Ca 0.00 0.18 0.04 0.00 -1.54 0.00 0.00 55.06 53.74 1ubh s HIS 399 Cb 0.00 -4.06 0.44 0.00 0.04 0.00 0.00 32.58 29.00 1ubh s HIS 399 CO 0.00 -4.28 1.71 -1.35 -2.34 0.00 0.00 174.74 168.48 1ubh h PRO 400 N 12.14 0.36 -0.13 2.88 0.11 -1.94 -0.63 132.00 144.80 1ubh h PRO 400 Ca -0.42 -0.15 -0.11 0.00 0.11 0.00 0.00 66.00 65.43 1ubh h PRO 400 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ubh h PRO 400 CO 0.97 0.65 -0.34 0.87 -0.21 0.00 0.00 178.00 179.94 1ubh h LYS 401 N 0.31 0.47 -0.06 1.05 1.79 -1.99 -2.27 116.57 115.86 1ubh h LYS 401 Ca 0.04 -0.33 0.01 0.00 -2.18 0.00 0.00 60.65 58.20 1ubh h LYS 401 Cb 0.74 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1ubh h LYS 401 CO 0.06 0.94 -0.02 0.28 -1.08 0.00 0.00 179.45 179.62 1ubh h VAL 402 N 0.07 0.92 -0.54 0.50 2.07 -1.94 -1.87 116.25 115.45 1ubh h VAL 402 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1ubh h VAL 402 Cb 0.96 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1ubh h VAL 402 CO 0.07 0.00 0.29 0.50 0.02 0.00 0.00 177.57 178.46 1ubh h LYS 403 N -0.01 0.56 -0.27 1.57 3.64 -1.09 0.52 116.57 121.48 1ubh h LYS 403 Ca 0.03 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1ubh h LYS 403 Cb 0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1ubh h LYS 403 CO -0.07 0.37 -0.07 0.00 -2.27 0.00 0.00 179.45 177.40 1ubh h ALA 404 N 1.27 0.37 -0.35 5.00 0.00 -1.18 -0.29 119.26 124.08 1ubh h ALA 404 Ca 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ubh h ALA 404 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ubh h ALA 404 CO -0.14 0.19 0.07 0.28 0.00 0.00 0.00 179.25 179.65 1ubh h VAL 405 N 0.28 1.23 -0.19 0.00 2.07 -1.23 -1.89 116.25 116.52 1ubh h VAL 405 Ca 0.07 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ubh h VAL 405 Cb 0.55 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1ubh h VAL 405 CO 0.03 0.27 0.13 0.74 0.02 0.00 0.00 177.57 178.76 1ubh h THR 406 N 0.42 1.05 -0.78 2.57 2.02 -0.73 -1.09 112.91 116.37 1ubh h THR 406 Ca 0.11 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1ubh h THR 406 Cb 0.34 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1ubh h THR 406 CO 0.01 0.05 0.50 0.44 0.37 0.00 0.00 175.52 176.88 1ubh h ASP 407 N 0.26 0.83 -0.69 4.18 3.32 -1.06 -0.30 116.42 122.95 1ubh h ASP 407 Ca 0.07 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1ubh h ASP 407 Cb -0.03 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1ubh h ASP 407 CO -0.02 0.57 0.31 0.00 -1.72 0.00 0.00 179.24 178.39 1ubh h ALA 408 N 1.33 0.89 -0.23 3.45 0.00 -0.88 0.21 119.26 124.03 1ubh h ALA 408 Ca 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ubh h ALA 408 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ubh h ALA 408 CO -0.11 0.48 0.07 0.28 0.00 0.00 0.00 179.25 179.97 1ubh h VAL 409 N 0.97 1.20 -0.51 0.00 2.07 -0.76 0.82 116.25 120.04 1ubh h VAL 409 Ca 0.23 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1ubh h VAL 409 Cb 0.16 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ubh h VAL 409 CO -0.03 0.20 0.26 -0.07 0.02 0.00 0.00 177.57 177.96 1ubh h LEU 410 N 0.20 0.65 -0.62 2.57 4.07 -0.83 -1.98 115.31 119.37 1ubh h LEU 410 Ca 0.07 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 1ubh h LEU 410 Cb 0.24 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1ubh h LEU 410 CO -0.00 0.57 0.02 0.00 -1.08 0.00 0.00 178.44 177.95 1ubh h ALA 411 N 1.10 0.83 -0.35 1.53 0.00 -0.33 -1.11 119.26 120.94 1ubh h ALA 411 Ca 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ubh h ALA 411 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ubh h ALA 411 CO -0.03 0.66 0.11 -0.22 0.00 0.00 0.00 179.25 179.77 1ubh h LYS 412 N 0.98 0.49 0.00 0.00 1.63 -0.51 -2.85 116.57 116.32 1ubh h LYS 412 Ca 0.18 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1ubh h LYS 412 Cb 0.54 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1ubh h LYS 412 CO 0.03 0.44 -0.48 -0.07 -3.45 0.00 0.00 179.45 175.92 1ubh h LEU 413 N 0.49 0.00 0.31 5.20 3.38 -1.12 -3.48 115.31 120.09 1ubh h LEU 413 Ca 0.12 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1ubh h LEU 413 Cb 0.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.92 1ubh h LEU 413 CO -0.01 0.08 -0.23 0.61 0.09 0.00 0.00 178.44 178.98 1ubh n GLY 414 N 1.32 0.18 3.39 0.83 0.00 -0.44 -5.01 105.19 105.46 1ubh n GLY 414 Ca 0.04 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1ubh n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubh s VAL 415 N -2.69 1.64 0.57 1.61 -7.23 -1.07 -5.07 120.40 108.17 1ubh s VAL 415 Ca 0.09 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 1ubh s VAL 415 Cb -0.04 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.65 1ubh s VAL 415 CO 0.11 -0.41 0.81 -0.83 -0.31 0.00 0.00 175.10 174.47 1ubh s GLY 416 N -3.39 1.82 0.48 2.32 0.00 -1.26 -4.60 107.32 102.69 1ubh s GLY 416 Ca 0.27 -1.36 0.23 0.00 0.00 0.00 0.00 44.72 43.85 1ubh s GLY 416 CO 0.10 -1.05 1.92 -2.55 0.00 0.00 0.00 173.10 171.52 1ubh h PRO 417 N -0.01 0.18 0.00 2.90 0.11 -2.01 -0.89 132.00 132.28 1ubh h PRO 417 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ubh h PRO 417 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ubh h PRO 417 CO 0.51 0.12 0.00 0.93 -0.21 0.00 0.00 178.00 179.35 1ubh h GLU 418 N 0.19 0.00 0.00 1.05 3.07 -2.00 -1.52 114.58 115.36 1ubh h GLU 418 Ca 0.38 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1ubh h GLU 418 Cb 1.20 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ubh h GLU 418 CO -0.07 0.00 -0.01 0.00 -1.40 0.00 0.00 179.01 177.53 1ubh h ALA 419 N 2.05 1.04 0.00 3.43 0.00 -1.50 -2.47 119.26 121.81 1ubh h ALA 419 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ubh h ALA 419 Cb 0.41 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ubh h ALA 419 CO 0.00 0.02 -0.05 -0.07 0.00 0.00 0.00 179.25 179.14 1ubh h LEU 420 N 0.00 0.00 -5.89 0.00 3.38 -1.45 -3.34 115.31 108.01 1ubh h LEU 420 Ca -0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 1ubh h LEU 420 Cb 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1ubh h LEU 420 CO 0.00 0.05 2.76 0.49 0.09 0.00 0.00 178.44 181.83 1ubh n PHE 421 N -3.17 2.94 -3.69 1.13 3.72 -0.93 -3.80 117.46 113.66 1ubh n PHE 421 Ca 0.00 -2.90 -0.03 0.00 -0.05 0.00 0.00 57.45 54.47 1ubh n PHE 421 Cb 0.33 -2.20 -0.01 0.00 -0.94 0.00 0.00 39.48 36.66 1ubh n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ubh s SER 422 N 1.67 -0.16 0.17 4.37 1.04 -1.26 -3.69 113.70 115.84 1ubh s SER 422 Ca 0.50 -0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.51 1ubh s SER 422 Cb 0.14 0.38 0.13 0.00 0.10 0.00 0.00 66.02 66.77 1ubh s SER 422 CO -0.05 -0.69 1.75 0.74 0.98 0.00 0.00 173.24 175.97 1ubh h THR 423 N 2.00 0.85 -0.74 2.02 2.02 -0.85 -0.18 112.91 118.01 1ubh h THR 423 Ca -0.25 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1ubh h THR 423 Cb 1.22 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1ubh h THR 423 CO 0.27 0.06 0.47 0.25 0.37 0.00 0.00 175.52 176.93 1ubh h LEU 424 N 0.32 0.88 -0.04 2.58 6.46 -1.70 -2.27 115.31 121.53 1ubh h LEU 424 Ca 0.21 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1ubh h LEU 424 Cb 0.21 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1ubh h LEU 424 CO -0.22 0.66 0.03 1.23 -0.62 0.00 0.00 178.44 179.51 1ubh h GLY 425 N 1.01 0.05 0.98 3.75 0.00 -1.59 -0.21 103.07 107.07 1ubh h GLY 425 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1ubh h GLY 425 CO -0.05 0.02 0.24 -0.09 0.00 0.00 0.00 176.54 176.65 1ubh h ARG 426 N 0.05 0.79 -0.62 4.80 2.43 -0.92 0.21 114.38 121.12 1ubh h ARG 426 Ca 0.01 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1ubh h ARG 426 Cb 0.00 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1ubh h ARG 426 CO -0.00 0.67 0.37 1.15 -1.51 0.00 0.00 179.97 180.65 1ubh h THR 427 N 0.73 1.18 -0.49 0.20 2.02 -1.14 -1.38 112.91 114.04 1ubh h THR 427 Ca 0.18 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1ubh h THR 427 Cb 0.16 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1ubh h THR 427 CO -0.02 0.19 0.15 0.00 0.37 0.00 0.00 175.52 176.21 1ubh h ALA 428 N 1.19 0.64 -0.66 6.16 0.00 -0.56 -2.90 119.26 123.13 1ubh h ALA 428 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ubh h ALA 428 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ubh h ALA 428 CO -0.04 0.29 0.37 0.00 0.00 0.00 0.00 179.25 179.88 1ubh h ALA 429 N 1.01 1.43 -0.62 0.00 0.00 -0.26 0.55 119.26 121.37 1ubh h ALA 429 Ca 0.16 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ubh h ALA 429 Cb 0.27 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ubh h ALA 429 CO -0.01 0.48 0.37 -0.09 0.00 0.00 0.00 179.25 180.00 1ubh h ARG 430 N 0.91 0.69 -0.18 0.00 2.43 -1.07 -0.90 114.38 116.24 1ubh h ARG 430 Ca 0.23 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1ubh h ARG 430 Cb -0.00 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1ubh h ARG 430 CO -0.04 0.45 0.08 0.78 -1.51 0.00 0.00 179.97 179.73 1ubh h GLY 431 N 0.71 0.29 0.40 2.80 0.00 -1.12 -2.36 103.07 103.78 1ubh h GLY 431 Ca 0.26 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.51 1ubh h GLY 431 CO -0.13 0.14 -0.01 -2.22 0.00 0.00 0.00 176.54 174.33 1ubh h ILE 432 N 0.16 0.72 -0.85 2.60 2.04 -0.59 -1.43 117.51 120.15 1ubh h ILE 432 Ca 0.06 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1ubh h ILE 432 Cb 0.14 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1ubh h ILE 432 CO -0.01 0.02 0.47 -0.08 0.00 0.00 0.00 178.15 178.55 1ubh h GLU 433 N 0.09 1.18 -0.38 2.37 4.81 -1.18 -1.32 114.58 120.16 1ubh h GLU 433 Ca 0.18 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1ubh h GLU 433 Cb 0.25 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1ubh h GLU 433 CO -0.31 0.86 0.24 1.15 -0.73 0.00 0.00 179.01 180.23 1ubh h THR 434 N 1.19 1.08 -0.40 0.32 2.02 -0.82 0.11 112.91 116.41 1ubh h THR 434 Ca 0.30 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1ubh h THR 434 Cb 0.02 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1ubh h THR 434 CO -0.05 0.09 0.16 0.00 0.37 0.00 0.00 175.52 176.09 1ubh h ALA 435 N 1.15 0.52 -0.32 6.16 0.00 -0.89 0.11 119.26 125.99 1ubh h ALA 435 Ca 0.14 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ubh h ALA 435 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ubh h ALA 435 CO -0.04 0.12 -0.05 0.28 0.00 0.00 0.00 179.25 179.56 1ubh h VAL 436 N 0.50 1.27 -0.34 0.00 2.07 -1.08 -2.47 116.25 116.20 1ubh h VAL 436 Ca 0.13 -1.06 -0.13 0.00 0.82 0.00 0.00 66.70 66.46 1ubh h VAL 436 Cb 0.19 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1ubh h VAL 436 CO -0.01 0.34 -0.32 0.40 0.02 0.00 0.00 177.57 178.01 1ubh h ILE 437 N 0.37 1.28 -0.75 4.57 2.04 -0.68 -0.94 117.51 123.40 1ubh h ILE 437 Ca 0.08 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.52 1ubh h ILE 437 Cb 0.52 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1ubh h ILE 437 CO 0.03 0.48 0.46 0.00 0.00 0.00 0.00 178.15 179.12 1ubh h ALA 438 N 1.02 0.99 -0.45 1.87 0.00 -0.66 0.25 119.26 122.28 1ubh h ALA 438 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1ubh h ALA 438 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ubh h ALA 438 CO 0.07 0.23 -0.17 1.49 0.00 0.00 0.00 179.25 180.87 1ubh h GLU 439 N 0.89 0.91 -0.06 0.00 4.81 -1.22 -3.23 114.58 116.68 1ubh h GLU 439 Ca 0.31 -0.38 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1ubh h GLU 439 Cb 0.07 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1ubh h GLU 439 CO -0.13 1.03 -0.32 -0.92 -0.73 0.00 0.00 179.01 177.94 1ubh h TYR 440 N 0.75 0.12 -0.98 0.92 3.20 -0.24 -1.90 116.97 118.84 1ubh h TYR 440 Ca 0.11 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.12 1ubh h TYR 440 Cb 0.74 -0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.87 1ubh h TYR 440 CO 0.05 0.42 0.58 0.28 -1.64 0.00 0.00 178.16 177.86 1ubh h VAL 441 N 0.09 0.74 -0.55 1.81 2.07 -1.00 -0.31 116.25 119.11 1ubh h VAL 441 Ca 0.01 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1ubh h VAL 441 Cb 0.62 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1ubh h VAL 441 CO 0.05 0.14 0.10 1.23 0.02 0.00 0.00 177.57 179.10 1ubh h GLY 442 N 0.78 0.94 0.75 2.17 0.00 -1.46 0.08 103.07 106.33 1ubh h GLY 442 Ca 0.54 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1ubh h GLY 442 CO -0.36 0.54 0.01 -2.08 0.00 0.00 0.00 176.54 174.64 1ubh h VAL 443 N 0.83 1.22 -0.81 4.60 2.07 -1.16 -1.44 116.25 121.57 1ubh h VAL 443 Ca 0.17 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1ubh h VAL 443 Cb 0.36 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1ubh h VAL 443 CO 0.01 0.19 0.53 0.24 0.02 0.00 0.00 177.57 178.56 1ubh h MET 444 N -0.18 0.97 -0.45 1.57 2.86 -0.94 -0.84 114.93 117.92 1ubh h MET 444 Ca 0.01 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1ubh h MET 444 Cb 0.29 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1ubh h MET 444 CO 0.00 0.64 0.15 1.25 1.06 0.00 0.00 176.91 180.01 1ubh h LEU 445 N 1.00 0.64 -0.70 1.22 5.85 -0.80 -0.54 115.31 121.99 1ubh h LEU 445 Ca 0.32 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1ubh h LEU 445 Cb 0.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1ubh h LEU 445 CO -0.09 0.67 0.17 -0.61 -0.34 0.00 0.00 178.44 178.24 1ubh h GLN 446 N 0.58 1.12 -0.75 1.25 5.75 -0.91 0.20 115.11 122.36 1ubh h GLN 446 Ca 0.14 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 1ubh h GLN 446 Cb 0.25 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1ubh h GLN 446 CO -0.01 0.99 0.31 0.93 -2.65 0.00 0.00 178.83 178.40 1ubh h GLU 447 N 1.05 1.10 0.18 1.69 5.08 -0.73 0.15 114.58 123.11 1ubh h GLU 447 Ca 0.22 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ubh h GLU 447 Cb 0.37 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ubh h GLU 447 CO 0.00 0.88 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.89 1ubh h TYR 448 N 1.08 -0.23 -0.73 4.33 -0.00 -0.78 0.11 116.97 120.75 1ubh h TYR 448 Ca 0.25 -0.01 0.08 0.00 -0.00 0.00 0.00 58.73 59.05 1ubh h TYR 448 Cb 0.18 0.07 -0.06 0.00 -0.00 0.00 0.00 36.73 36.93 1ubh h TYR 448 CO 0.02 -0.12 0.40 0.87 -0.00 0.00 0.00 178.16 179.33 1ubh h LYS 449 N -0.27 0.69 -0.63 1.82 1.57 -0.65 -1.52 116.57 117.57 1ubh h LYS 449 Ca -0.02 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ubh h LYS 449 Cb 0.21 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1ubh h LYS 449 CO 0.04 0.45 0.41 -0.44 -0.57 0.00 0.00 179.45 179.34 1ubh h ASP 450 N 0.71 0.69 -0.52 0.86 3.45 -0.54 -1.39 116.42 119.68 1ubh h ASP 450 Ca 0.34 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.76 1ubh h ASP 450 Cb 0.27 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 1ubh h ASP 450 CO -0.22 0.50 0.23 -1.13 -1.57 0.00 0.00 179.24 177.05 1ubh h ASN 451 N 0.82 0.70 -0.84 6.45 -0.00 -0.41 -1.99 115.58 120.31 1ubh h ASN 451 Ca 0.24 -0.15 0.02 0.00 -0.00 0.00 0.00 56.30 56.41 1ubh h ASN 451 Cb -0.06 -0.18 -0.04 0.00 -0.00 0.00 0.00 38.32 38.03 1ubh h ASN 451 CO -0.07 0.65 0.55 0.40 -0.00 0.00 0.00 177.43 178.97 1ubh h ILE 452 N 0.70 1.19 0.00 2.57 2.04 -0.95 -2.48 117.51 120.59 1ubh h ILE 452 Ca 0.18 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1ubh h ILE 452 Cb 0.15 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1ubh h ILE 452 CO -0.02 0.20 -0.12 0.00 0.00 0.00 0.00 178.15 178.22 1ubh h ALA 453 N 1.32 1.28 0.00 1.87 0.00 -0.56 0.41 119.26 123.58 1ubh h ALA 453 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ubh h ALA 453 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ubh h ALA 453 CO -0.08 0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1ubh n LYS 454 N -3.63 0.55 -0.34 0.00 5.02 -0.84 -4.88 118.16 114.04 1ubh n LYS 454 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ubh n LYS 454 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1ubh n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubh n GLY 455 N 1.03 0.81 3.53 0.72 0.00 0.13 -5.04 105.19 106.38 1ubh n GLY 455 Ca 0.16 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1ubh n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubh s ASP 456 N -2.14 6.38 -0.14 1.61 2.15 -1.14 -4.85 116.67 118.55 1ubh s ASP 456 Ca 0.00 -0.21 0.17 0.00 0.43 0.00 0.00 52.55 52.94 1ubh s ASP 456 Cb 0.00 -2.38 0.36 0.00 -0.30 0.00 0.00 42.92 40.59 1ubh s ASP 456 CO 0.00 -0.95 1.24 -0.46 -0.17 0.00 0.00 175.17 174.82 1ubh n ASN 457 N 6.77 2.87 -4.77 -0.34 2.04 -1.26 -4.27 115.26 116.29 1ubh n ASN 457 Ca 0.01 -2.98 -0.38 0.00 -0.44 0.00 0.00 54.58 50.80 1ubh n ASN 457 Cb 0.48 -0.44 -0.06 0.00 -2.53 0.00 0.00 39.78 37.23 1ubh n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ubh s VAL 458 N -2.71 5.09 0.00 3.53 1.01 -1.26 -4.97 120.40 121.09 1ubh s VAL 458 Ca 0.33 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1ubh s VAL 458 Cb 0.28 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ubh s VAL 458 CO 0.05 0.43 0.00 2.30 0.00 0.00 0.00 175.10 177.88 1ubh n ILE 459 N 2.87 0.00 -3.83 2.22 -5.35 -1.26 -4.21 119.36 109.80 1ubh n ILE 459 Ca -0.10 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.00 1ubh n ILE 459 Cb 0.52 0.87 -0.13 0.00 -1.74 0.00 0.00 39.64 39.15 1ubh n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubh s ALA 461 N 0.15 2.97 0.59 0.00 0.00 -0.26 -4.91 121.76 120.30 1ubh s ALA 461 Ca -0.01 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 1ubh s ALA 461 Cb -0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1ubh s ALA 461 CO -0.00 0.63 1.04 -1.25 0.00 0.00 0.00 175.76 176.18 1ubh s PRO 462 N -1.74 3.41 0.22 0.00 0.04 -1.26 -4.52 135.00 131.15 1ubh s PRO 462 Ca 0.19 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 1ubh s PRO 462 Cb -0.11 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1ubh s PRO 462 CO 0.10 -0.73 0.55 1.67 0.04 0.00 0.00 177.00 178.63 1ubh s TRP 463 N -2.53 -0.03 0.00 0.56 1.48 -1.26 -4.94 118.94 112.22 1ubh s TRP 463 Ca 0.62 -0.34 0.03 0.00 -1.06 0.00 0.00 56.10 55.36 1ubh s TRP 463 Cb -0.15 0.41 -0.01 0.00 -1.16 0.00 0.00 33.47 32.56 1ubh s TRP 463 CO 0.37 -0.99 -0.10 -1.21 -4.06 0.00 0.00 176.95 170.96 1ubh s GLU 464 N -3.91 0.79 -0.23 3.25 2.02 -1.26 -5.12 118.70 114.24 1ubh s GLU 464 Ca 0.12 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 1ubh s GLU 464 Cb -0.02 -0.76 0.01 0.00 0.10 0.00 0.00 34.13 33.46 1ubh s GLU 464 CO 0.01 0.20 1.08 1.41 0.02 0.00 0.00 175.26 177.99 1ubh s MET 465 N -0.46 4.23 0.53 1.61 -2.45 -1.26 -4.86 119.30 116.64 1ubh s MET 465 Ca 0.03 1.38 -0.18 0.00 -1.25 0.00 0.00 55.69 55.66 1ubh s MET 465 Cb -0.05 -3.67 -0.07 0.00 1.25 0.00 0.00 34.83 32.29 1ubh s MET 465 CO -0.00 -0.67 1.04 -1.25 1.05 0.00 0.00 175.02 175.18 1ubh s PRO 466 N 3.30 3.64 0.17 4.11 0.04 -1.26 -4.96 135.00 140.04 1ubh s PRO 466 Ca 0.46 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 1ubh s PRO 466 Cb -0.16 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.35 1ubh s PRO 466 CO 0.08 -0.55 1.43 0.87 0.04 0.00 0.00 177.00 178.88 1ubh h LYS 467 N 1.10 0.47 -4.51 4.56 1.79 -1.93 -3.36 116.57 114.68 1ubh h LYS 467 Ca -0.48 -0.37 -0.50 0.00 -2.18 0.00 0.00 60.65 57.12 1ubh h LYS 467 Cb 1.22 0.07 -0.33 0.00 -1.58 0.00 0.00 32.23 31.60 1ubh h LYS 467 CO 0.59 1.00 -0.81 -1.14 -1.08 0.00 0.00 179.45 178.00 1ubh s GLN 468 N -3.70 1.57 0.00 3.15 0.74 -1.26 -0.00 119.66 120.16 1ubh s GLN 468 Ca -0.06 -0.38 -0.29 0.00 0.05 0.00 0.00 55.36 54.68 1ubh s GLN 468 Cb 0.10 -1.32 0.10 0.00 1.10 0.00 0.00 33.01 32.99 1ubh s GLN 468 CO 0.85 0.03 0.90 0.00 -0.55 0.00 0.00 175.29 176.51 1ubh s ALA 469 N 0.65 -1.82 0.05 1.58 0.00 -0.93 -4.98 121.76 116.30 1ubh s ALA 469 Ca -0.14 0.97 0.08 0.00 0.00 0.00 0.00 51.96 52.87 1ubh s ALA 469 Cb -0.15 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1ubh s ALA 469 CO 0.03 -0.71 -0.22 -1.83 0.00 0.00 0.00 175.76 173.03 1ubh s GLU 470 N -3.11 1.49 0.07 0.00 -1.05 -1.26 -0.03 118.70 114.80 1ubh s GLU 470 Ca 0.06 -1.00 -0.05 0.00 -0.15 0.00 0.00 54.97 53.83 1ubh s GLU 470 Cb -0.01 -1.63 -0.02 0.00 -0.44 0.00 0.00 34.13 32.03 1ubh s GLU 470 CO -0.08 0.42 0.08 0.20 0.95 0.00 0.00 175.26 176.83 1ubh s GLY 471 N -1.22 0.26 -0.04 -3.83 0.00 -0.26 -4.41 107.32 97.81 1ubh s GLY 471 Ca 0.09 -0.86 -0.06 0.00 0.00 0.00 0.00 44.72 43.88 1ubh s GLY 471 CO 0.02 -1.01 0.16 0.54 0.00 0.00 0.00 173.10 172.81 1ubh s VAL 472 N -3.71 0.02 -0.05 1.40 0.11 -1.26 -0.73 120.40 116.19 1ubh s VAL 472 Ca 0.04 -0.21 0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1ubh s VAL 472 Cb 0.05 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.60 1ubh s VAL 472 CO -0.10 -0.11 -0.19 -0.83 -3.33 0.00 0.00 175.10 170.54 1ubh s GLY 473 N -0.35 1.03 -0.11 6.54 0.00 -0.35 -4.22 107.32 109.86 1ubh s GLY 473 Ca -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1ubh s GLY 473 CO 0.01 -0.40 -0.19 -1.36 0.00 0.00 0.00 173.10 171.16 1ubh s PHE 474 N 0.04 2.67 -0.04 1.90 0.40 -1.26 -1.52 117.98 120.17 1ubh s PHE 474 Ca -0.05 -0.86 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 1ubh s PHE 474 Cb -0.13 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.64 1ubh s PHE 474 CO 0.03 -0.32 -0.12 0.08 0.70 0.00 0.00 175.22 175.59 1ubh s VAL 475 N 0.34 1.03 -0.52 -0.44 1.01 -0.19 -4.95 120.40 116.68 1ubh s VAL 475 Ca -0.15 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1ubh s VAL 475 Cb -0.17 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.36 1ubh s VAL 475 CO 0.08 0.32 0.63 0.21 0.00 0.00 0.00 175.10 176.33 1ubh s ASN 476 N 0.31 6.22 0.72 3.32 3.84 -1.22 -0.01 114.94 128.12 1ubh s ASN 476 Ca -0.07 -0.98 -0.06 0.00 0.21 0.00 0.00 52.86 51.96 1ubh s ASN 476 Cb -0.11 -2.29 0.09 0.00 -0.55 0.00 0.00 41.25 38.38 1ubh s ASN 476 CO 0.02 -0.91 1.02 0.00 -2.79 0.00 0.00 177.10 174.44 1ubh s ALA 477 N 2.61 3.23 0.64 1.71 0.00 0.11 -4.88 121.76 125.18 1ubh s ALA 477 Ca 0.14 -1.16 0.31 0.00 0.00 0.00 0.00 51.96 51.25 1ubh s ALA 477 Cb -0.20 -2.45 1.67 0.00 0.00 0.00 0.00 23.12 22.15 1ubh s ALA 477 CO 0.11 -1.42 1.98 -1.35 0.00 0.00 0.00 175.76 175.08 1ubh h PRO 478 N -0.64 0.00 -0.04 0.00 0.11 -1.96 -1.07 132.00 128.39 1ubh h PRO 478 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ubh h PRO 478 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ubh h PRO 478 CO 0.53 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.86 1ubh n ARG 479 N -3.18 1.36 0.00 1.05 1.74 -1.26 -4.24 116.66 112.13 1ubh n ARG 479 Ca 0.00 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.56 1ubh n ARG 479 Cb 0.40 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1ubh n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubh n GLY 480 N 0.93 0.44 3.60 -0.13 0.00 -0.41 -2.56 105.19 107.06 1ubh n GLY 480 Ca 0.10 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1ubh n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubh s GLY 481 N 0.00 1.10 -0.15 -0.02 0.00 -1.26 0.05 107.32 107.04 1ubh s GLY 481 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 1ubh s GLY 481 CO 0.00 2.76 0.06 -2.27 0.00 0.00 0.00 173.10 173.65 1ubh s LEU 482 N 5.41 3.85 -0.01 0.66 2.96 0.99 -3.34 118.68 129.20 1ubh s LEU 482 Ca 0.61 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.68 1ubh s LEU 482 Cb -0.14 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1ubh s LEU 482 CO 0.32 0.26 0.00 -0.94 -1.32 0.00 0.00 176.35 174.68 1ubh s SER 483 N -0.16 0.07 -0.06 3.68 1.04 -0.51 -1.02 113.70 116.74 1ubh s SER 483 Ca 0.07 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.54 1ubh s SER 483 Cb -0.12 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1ubh s SER 483 CO 0.01 -0.03 -0.16 -1.00 0.98 0.00 0.00 173.24 173.04 1ubh s HIS 484 N 0.27 2.66 -0.09 5.02 3.76 -0.58 -1.16 115.29 125.17 1ubh s HIS 484 Ca -0.02 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.56 1ubh s HIS 484 Cb -0.04 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 32.03 1ubh s HIS 484 CO -0.01 0.06 -0.05 -1.58 -0.85 0.00 0.00 174.74 172.31 1ubh s TRP 485 N -0.48 1.13 0.04 1.40 0.52 0.07 -1.21 118.94 120.42 1ubh s TRP 485 Ca 0.06 -0.48 0.09 0.00 0.02 0.00 0.00 56.10 55.79 1ubh s TRP 485 Cb -0.12 -1.03 -0.03 0.00 -1.15 0.00 0.00 33.47 31.15 1ubh s TRP 485 CO 0.02 -0.41 -0.26 -1.50 0.02 0.00 0.00 176.95 174.81 1ubh s ILE 486 N 1.70 2.11 -0.25 2.03 2.07 0.09 -1.03 121.20 127.93 1ubh s ILE 486 Ca 0.03 -1.34 -0.01 0.00 -1.41 0.00 0.00 60.65 57.92 1ubh s ILE 486 Cb -0.13 -1.80 0.03 0.00 0.13 0.00 0.00 42.46 40.70 1ubh s ILE 486 CO -0.06 0.39 -0.08 -0.13 -1.91 0.00 0.00 174.94 173.15 1ubh s ARG 487 N -1.15 2.74 -0.10 3.50 1.81 -0.06 -1.11 118.95 124.59 1ubh s ARG 487 Ca 0.11 -1.04 -0.17 0.00 -1.72 0.00 0.00 55.73 52.92 1ubh s ARG 487 Cb -0.10 -2.94 -0.05 0.00 -0.45 0.00 0.00 34.95 31.41 1ubh s ARG 487 CO 0.02 -0.42 0.43 0.42 -0.68 0.00 0.00 175.30 175.07 1ubh s ILE 488 N 1.28 5.17 -0.04 1.52 1.01 0.95 -0.32 121.20 130.77 1ubh s ILE 488 Ca -0.01 0.86 0.01 0.00 0.00 0.00 0.00 60.65 61.51 1ubh s ILE 488 Cb -0.17 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1ubh s ILE 488 CO -0.05 0.39 -0.03 -0.70 0.00 0.00 0.00 174.94 174.54 1ubh s GLU 489 N 0.24 0.69 -1.38 2.79 2.56 -0.24 -2.19 118.70 121.17 1ubh s GLU 489 Ca 0.24 -0.06 -0.09 0.00 0.00 0.00 0.00 54.97 55.05 1ubh s GLU 489 Cb -0.15 -0.74 0.06 0.00 2.00 0.00 0.00 34.13 35.31 1ubh s GLU 489 CO 0.10 -0.09 0.59 -3.47 -0.56 0.00 0.00 175.26 171.83 1ubh n ASP 490 N 4.04 -4.33 0.00 -1.70 4.64 -0.34 -1.04 116.55 117.83 1ubh n ASP 490 Ca -0.26 -0.44 0.00 0.00 -1.38 0.00 0.00 54.79 52.71 1ubh n ASP 490 Cb 0.51 -3.54 0.00 0.00 -1.04 0.00 0.00 41.12 37.05 1ubh n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ubh n GLY 491 N -1.32 0.33 3.68 0.27 0.00 1.00 -4.98 105.19 104.17 1ubh n GLY 491 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1ubh n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubh s LYS 492 N -0.84 2.08 -0.46 1.61 -0.14 -0.21 -4.44 119.74 117.33 1ubh s LYS 492 Ca 0.00 -2.03 -0.28 0.00 -1.36 0.00 0.00 55.97 52.30 1ubh s LYS 492 Cb 0.00 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 34.38 1ubh s LYS 492 CO 0.00 -0.11 1.56 0.42 -0.76 0.00 0.00 175.35 176.46 1ubh s ILE 493 N -2.68 3.70 -0.03 2.17 1.01 -0.17 -1.08 121.20 124.13 1ubh s ILE 493 Ca 0.35 0.65 -0.15 0.00 0.00 0.00 0.00 60.65 61.50 1ubh s ILE 493 Cb 0.07 -4.11 -0.32 0.00 0.01 0.00 0.00 42.46 38.11 1ubh s ILE 493 CO 0.19 -0.82 0.81 1.23 0.00 0.00 0.00 174.94 176.35 1ubh h GLY 494 N 13.34 0.48 -5.20 6.18 0.00 -0.94 0.17 103.07 117.10 1ubh h GLY 494 Ca -0.29 -1.23 -0.15 0.00 0.00 0.00 0.00 47.33 45.67 1ubh h GLY 494 CO 1.12 1.07 -0.37 0.21 0.00 0.00 0.00 176.54 178.57 1ubh s ASN 495 N -7.33 -0.27 -0.05 0.19 3.84 -0.94 -4.84 114.94 105.55 1ubh s ASN 495 Ca -0.14 0.48 -0.02 0.00 0.21 0.00 0.00 52.86 53.40 1ubh s ASN 495 Cb 0.04 0.54 0.03 0.00 -0.55 0.00 0.00 41.25 41.31 1ubh s ASN 495 CO 0.87 -0.16 0.03 0.12 -2.79 0.00 0.00 177.10 175.18 1ubh s PHE 496 N -0.10 0.35 -0.07 0.43 2.19 -1.26 -0.88 117.98 118.64 1ubh s PHE 496 Ca -0.02 0.05 0.03 0.00 0.33 0.00 0.00 56.93 57.32 1ubh s PHE 496 Cb -0.03 -0.62 0.01 0.00 -1.31 0.00 0.00 43.02 41.07 1ubh s PHE 496 CO 0.01 -0.25 -0.16 -0.65 1.83 0.00 0.00 175.22 176.01 1ubh s GLN 497 N 1.99 2.03 -0.14 10.12 -1.52 -0.19 -4.69 119.66 127.26 1ubh s GLN 497 Ca 0.04 -0.55 -0.06 0.00 -1.95 0.00 0.00 55.36 52.84 1ubh s GLN 497 Cb -0.12 -1.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.99 1ubh s GLN 497 CO -0.04 0.09 0.07 -0.51 -0.25 0.00 0.00 175.29 174.65 1ubh s LEU 498 N 0.50 3.92 -0.22 2.90 1.02 -1.26 -0.75 118.68 124.79 1ubh s LEU 498 Ca -0.14 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.22 1ubh s LEU 498 Cb -0.16 -1.96 0.06 0.00 0.02 0.00 0.00 46.19 44.16 1ubh s LEU 498 CO 0.05 0.30 -0.05 -0.69 0.02 0.00 0.00 176.35 175.98 1ubh s VAL 499 N -0.39 1.39 0.16 -1.59 1.01 -0.31 -5.03 120.40 115.65 1ubh s VAL 499 Ca 0.09 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 61.06 1ubh s VAL 499 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1ubh s VAL 499 CO 0.02 -0.08 -0.07 -0.69 0.00 0.00 0.00 175.10 174.28 1ubh s VAL 500 N 1.46 3.39 0.22 2.92 1.01 -1.26 -1.42 120.40 126.71 1ubh s VAL 500 Ca -0.05 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.33 1ubh s VAL 500 Cb -0.18 -2.67 0.17 0.00 0.00 0.00 0.00 36.38 33.70 1ubh s VAL 500 CO -0.07 -0.07 1.71 1.55 0.00 0.00 0.00 175.10 178.23 1ubh h PRO 501 N 2.98 0.29 0.00 2.72 0.13 -1.83 0.44 132.00 136.73 1ubh h PRO 501 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ubh h PRO 501 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ubh h PRO 501 CO 0.55 0.19 0.00 0.77 -0.23 0.00 0.00 178.00 179.28 1ubh h SER 502 N 0.30 0.00 -0.25 1.44 0.02 -1.84 -1.42 113.55 111.81 1ubh h SER 502 Ca 0.33 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1ubh h SER 502 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1ubh h SER 502 CO -0.40 0.00 0.04 0.74 -1.14 0.00 0.00 176.83 176.08 1ubh h THR 503 N 0.00 1.23 -0.04 -2.27 2.02 -1.13 0.17 112.91 112.89 1ubh h THR 503 Ca 0.00 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.44 1ubh h THR 503 Cb 0.39 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1ubh h THR 503 CO 0.00 0.24 -0.06 -0.50 0.37 0.00 0.00 175.52 175.57 1ubh h TRP 504 N 0.22 -0.15 0.10 3.16 4.06 -1.01 -1.38 115.95 120.94 1ubh h TRP 504 Ca 0.08 0.01 -0.29 0.00 2.06 0.00 0.00 58.89 60.74 1ubh h TRP 504 Cb 0.32 0.07 0.03 0.00 -1.00 0.00 0.00 29.16 28.58 1ubh h TRP 504 CO 0.02 -0.09 -1.20 1.15 -3.56 0.00 0.00 178.44 174.75 1ubh h THR 505 N -0.09 1.29 -0.04 1.49 2.02 -1.28 -3.38 112.91 112.93 1ubh h THR 505 Ca 0.04 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1ubh h THR 505 Cb 0.14 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1ubh h THR 505 CO -0.09 0.75 0.00 0.18 0.37 0.00 0.00 175.52 176.72 1ubh n LEU 506 N -3.79 1.68 -4.56 2.58 4.32 0.58 -1.60 117.00 116.21 1ubh n LEU 506 Ca -0.13 -1.22 -0.28 0.00 -0.02 0.00 0.00 56.01 54.36 1ubh n LEU 506 Cb 0.97 -0.03 0.22 0.00 -1.62 0.00 0.00 43.42 42.96 1ubh n LEU 506 CO 0.57 0.38 0.57 -0.83 -1.22 0.00 0.00 177.39 176.86 1ubh s GLY 507 N -0.58 1.56 0.00 -0.72 0.00 -0.52 -4.81 107.32 102.25 1ubh s GLY 507 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1ubh s GLY 507 CO 0.07 0.49 0.00 -1.55 0.00 0.00 0.00 173.10 172.11 1ubh n PRO 508 N -4.64 0.24 -1.36 2.90 -0.04 -1.26 -4.50 135.00 126.34 1ubh n PRO 508 Ca 0.04 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1ubh n PRO 508 Cb 0.55 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.11 1ubh n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ubh s ARG 509 N -2.37 2.02 0.39 0.54 0.52 -1.26 -4.30 118.95 114.49 1ubh s ARG 509 Ca 0.00 1.80 0.06 0.00 -0.52 0.00 0.00 55.73 57.08 1ubh s ARG 509 Cb 0.00 -1.81 0.06 0.00 0.52 0.00 0.00 34.95 33.72 1ubh s ARG 509 CO 0.00 -1.94 0.54 0.00 0.02 0.00 0.00 175.30 173.92 1ubh n ASP 511 N -2.53 0.00 -1.03 0.00 3.85 -1.26 -0.87 116.55 114.70 1ubh n ASP 511 Ca 0.11 -0.45 0.10 0.00 -0.71 0.00 0.00 54.79 53.84 1ubh n ASP 511 Cb 0.41 -0.07 0.20 0.00 -1.35 0.00 0.00 41.12 40.31 1ubh n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1ubh n LYS 512 N -1.07 2.40 -1.62 0.11 5.02 -1.26 -4.95 118.16 116.78 1ubh n LYS 512 Ca 0.13 -2.20 -0.14 0.00 -2.02 0.00 0.00 58.31 54.08 1ubh n LYS 512 Cb 0.09 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1ubh n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ubh n ASN 513 N 1.28 -4.65 -4.71 4.39 5.03 -0.05 -4.97 115.26 111.58 1ubh n ASN 513 Ca 0.18 0.27 -0.42 0.00 0.87 0.00 0.00 54.58 55.47 1ubh n ASN 513 Cb 0.55 -3.51 -0.03 0.00 -1.02 0.00 0.00 39.78 35.77 1ubh n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ubh s LYS 514 N -3.58 4.51 0.38 3.52 1.02 -1.26 -4.82 119.74 119.51 1ubh s LYS 514 Ca 0.00 1.53 -0.27 0.00 0.02 0.00 0.00 55.97 57.25 1ubh s LYS 514 Cb 0.00 -3.44 -0.10 0.00 -0.52 0.00 0.00 37.83 33.78 1ubh s LYS 514 CO 0.00 -0.14 1.39 -0.51 -0.92 0.00 0.00 175.35 175.17 1ubh s LEU 515 N 1.13 4.29 0.93 3.17 1.02 -1.26 -3.35 118.68 124.61 1ubh s LEU 515 Ca 0.54 2.85 -0.12 0.00 0.02 0.00 0.00 54.13 57.43 1ubh s LEU 515 Cb -0.23 -3.76 0.15 0.00 0.02 0.00 0.00 46.19 42.37 1ubh s LEU 515 CO 0.27 -0.83 1.09 -0.94 0.02 0.00 0.00 176.35 175.96 1ubh s SER 516 N -0.42 3.18 0.20 2.29 1.04 -1.26 -4.68 113.70 114.06 1ubh s SER 516 Ca 0.54 1.42 -0.11 0.00 0.48 0.00 0.00 55.95 58.28 1ubh s SER 516 Cb -0.43 -2.09 0.27 0.00 0.10 0.00 0.00 66.02 63.87 1ubh s SER 516 CO 0.56 -2.82 1.70 -0.65 0.98 0.00 0.00 173.24 173.02 1ubh h PRO 517 N -1.67 0.21 -0.55 4.02 0.11 -1.78 -0.16 132.00 132.18 1ubh h PRO 517 Ca -0.51 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1ubh h PRO 517 Cb 1.30 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1ubh h PRO 517 CO 0.55 0.14 0.23 -0.24 -0.21 0.00 0.00 178.00 178.47 1ubh h VAL 518 N 0.22 1.22 0.37 3.15 3.04 -1.65 -0.07 116.25 122.52 1ubh h VAL 518 Ca 0.30 -0.66 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 1ubh h VAL 518 Cb 0.45 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1ubh h VAL 518 CO -0.41 0.26 -0.18 -0.33 -1.01 0.00 0.00 177.57 175.90 1ubh h GLU 519 N 0.74 -0.48 -0.92 4.17 5.08 -1.66 -2.60 114.58 118.92 1ubh h GLU 519 Ca 0.18 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1ubh h GLU 519 Cb 0.18 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1ubh h GLU 519 CO -0.02 -0.32 0.56 0.00 -1.00 0.00 0.00 179.01 178.24 1ubh h ALA 520 N 0.14 1.26 0.00 3.43 0.00 -0.98 -2.58 119.26 120.53 1ubh h ALA 520 Ca -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1ubh h ALA 520 Cb 0.38 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ubh h ALA 520 CO 0.08 0.64 -0.11 0.66 0.00 0.00 0.00 179.25 180.53 1ubh h SER 521 N 1.26 0.00 1.75 0.00 4.64 -0.73 -2.67 113.55 117.81 1ubh h SER 521 Ca 0.33 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 1ubh h SER 521 Cb -0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1ubh h SER 521 CO -0.06 0.11 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.82 1ubh h LEU 522 N 0.00 0.00 -9.52 5.97 3.38 -1.08 -3.12 115.31 110.94 1ubh h LEU 522 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1ubh h LEU 522 Cb 0.30 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.08 1ubh h LEU 522 CO 0.01 0.12 0.98 -0.63 0.09 0.00 0.00 178.44 179.01 1ubh s ILE 523 N -3.22 2.78 0.00 1.22 -1.09 -1.01 -1.79 121.20 118.08 1ubh s ILE 523 Ca 0.06 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 1ubh s ILE 523 Cb 0.06 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1ubh s ILE 523 CO 0.67 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1ubh n GLY 524 N 3.96 0.21 3.69 6.18 0.00 0.14 -4.77 105.19 114.60 1ubh n GLY 524 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ubh n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubh s THR 525 N -2.00 3.23 0.38 2.61 2.01 -0.74 -4.60 115.64 116.53 1ubh s THR 525 Ca 0.00 0.67 -0.26 0.00 0.31 0.00 0.00 61.69 62.41 1ubh s THR 525 Cb 0.00 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 1ubh s THR 525 CO 0.00 -0.00 1.12 -2.16 -0.69 0.00 0.00 174.62 172.88 1ubh s PRO 526 N 2.54 4.20 -0.22 4.92 0.04 -1.26 -0.57 135.00 144.64 1ubh s PRO 526 Ca 0.71 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1ubh s PRO 526 Cb -0.37 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.50 1ubh s PRO 526 CO 0.30 -0.16 -0.01 0.08 0.04 0.00 0.00 177.00 177.26 1ubh s VAL 527 N -1.45 1.06 0.08 -0.36 1.01 -0.28 -4.66 120.40 115.80 1ubh s VAL 527 Ca 0.55 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1ubh s VAL 527 Cb -0.28 -1.46 -0.11 0.00 0.00 0.00 0.00 36.38 34.53 1ubh s VAL 527 CO 0.35 -0.18 1.38 0.00 0.00 0.00 0.00 175.10 176.65 1ubh h ALA 528 N 8.09 0.35 -2.97 5.51 0.00 -1.91 -3.42 119.26 124.90 1ubh h ALA 528 Ca -0.17 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 53.80 1ubh h ALA 528 Cb 1.09 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 1ubh h ALA 528 CO 0.38 0.36 -0.77 0.34 0.00 0.00 0.00 179.25 179.56 1ubh s ASP 529 N -6.48 3.55 0.66 0.00 3.68 -1.26 -4.97 116.67 111.84 1ubh s ASP 529 Ca -0.13 -1.30 0.39 0.00 2.13 0.00 0.00 52.55 53.64 1ubh s ASP 529 Cb 0.07 -0.53 2.16 0.00 -1.45 0.00 0.00 42.92 43.18 1ubh s ASP 529 CO 0.81 -0.41 2.24 0.00 0.13 0.00 0.00 175.17 177.95 1ubh h ALA 530 N 8.29 1.17 0.00 3.66 0.00 -2.01 -0.01 119.26 130.36 1ubh h ALA 530 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ubh h ALA 530 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ubh h ALA 530 CO 0.43 -0.10 -0.01 0.87 0.00 0.00 0.00 179.25 180.44 1ubh h LYS 531 N 0.00 0.00 -2.02 0.00 1.57 -1.99 -3.37 116.57 110.75 1ubh h LYS 531 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1ubh h LYS 531 Cb 0.19 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.11 1ubh h LYS 531 CO -0.00 0.00 -1.09 0.54 -0.57 0.00 0.00 179.45 178.33 1ubh n ARG 532 N -2.93 1.03 -1.84 3.15 1.74 -0.03 -5.06 116.66 112.72 1ubh n ARG 532 Ca 0.04 -3.44 -0.41 0.00 -0.77 0.00 0.00 57.85 53.27 1ubh n ARG 532 Cb 0.51 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.44 1ubh n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ubh n PRO 533 N 0.87 3.47 0.24 5.56 -0.04 -1.16 -4.62 135.00 139.32 1ubh n PRO 533 Ca 0.24 -2.88 0.09 0.00 -0.04 0.00 0.00 63.50 60.91 1ubh n PRO 533 Cb 0.57 -3.00 0.61 0.00 -0.04 0.00 0.00 33.50 31.64 1ubh n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ubh h VAL 534 N 3.53 0.80 -0.65 0.52 3.04 -1.96 -2.36 116.25 119.17 1ubh h VAL 534 Ca 0.61 -0.67 -0.08 0.00 -1.01 0.00 0.00 66.70 65.55 1ubh h VAL 534 Cb 0.52 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 31.17 1ubh h VAL 534 CO 1.74 0.17 0.10 -0.33 -1.01 0.00 0.00 177.57 178.25 1ubh h GLU 535 N 0.00 1.08 -0.59 4.17 3.07 -1.83 0.62 114.58 121.10 1ubh h GLU 535 Ca -0.00 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 1ubh h GLU 535 Cb 0.39 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1ubh h GLU 535 CO 0.02 1.00 0.33 0.82 -1.40 0.00 0.00 179.01 179.78 1ubh h ILE 536 N 1.00 1.19 -0.86 3.13 2.04 -1.71 -2.60 117.51 119.69 1ubh h ILE 536 Ca 0.20 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ubh h ILE 536 Cb 0.44 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1ubh h ILE 536 CO 0.01 0.20 0.52 -0.07 0.00 0.00 0.00 178.15 178.82 1ubh h LEU 537 N 0.80 1.04 -0.52 1.44 3.38 -1.28 -0.88 115.31 119.28 1ubh h LEU 537 Ca 0.21 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1ubh h LEU 537 Cb 0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1ubh h LEU 537 CO -0.03 0.80 0.23 0.03 0.09 0.00 0.00 178.44 179.56 1ubh h ARG 538 N 1.19 0.43 -0.13 1.13 3.08 -0.52 0.34 114.38 119.91 1ubh h ARG 538 Ca 0.31 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 1ubh h ARG 538 Cb -0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1ubh h ARG 538 CO -0.06 0.29 -0.10 1.15 -1.07 0.00 0.00 179.97 180.18 1ubh h THR 539 N 0.44 1.34 -0.33 2.04 2.02 -1.27 -1.87 112.91 115.28 1ubh h THR 539 Ca 0.24 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1ubh h THR 539 Cb 0.20 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1ubh h THR 539 CO -0.20 0.35 0.17 0.58 0.37 0.00 0.00 175.52 176.79 1ubh h VAL 540 N -0.09 1.15 0.00 3.16 2.07 -0.91 -1.90 116.25 119.73 1ubh h VAL 540 Ca 0.02 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1ubh h VAL 540 Cb 0.60 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1ubh h VAL 540 CO 0.03 0.15 -0.12 0.45 0.02 0.00 0.00 177.57 178.10 1ubh h HIS 541 N 0.41 0.00 0.00 1.57 -0.00 -0.34 -2.68 115.15 114.10 1ubh h HIS 541 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1ubh h HIS 541 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1ubh h HIS 541 CO -0.02 0.12 -0.10 0.66 -0.00 0.00 0.00 177.93 178.59 1ubh h SER 542 N 0.00 0.00 1.19 2.45 4.64 -0.48 0.15 113.55 121.50 1ubh h SER 542 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubh h SER 542 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1ubh h SER 542 CO 0.02 0.10 0.00 0.49 -0.87 0.00 0.00 176.83 176.57 1ubh n PHE 543 N -3.95 0.50 -3.33 4.77 3.72 -1.01 -4.57 117.46 113.58 1ubh n PHE 543 Ca -0.02 0.15 -0.16 0.00 -0.05 0.00 0.00 57.45 57.36 1ubh n PHE 543 Cb 0.19 -0.74 0.05 0.00 -0.94 0.00 0.00 39.48 38.04 1ubh n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ubh n ASP 544 N -1.91 -6.52 -4.76 4.37 4.64 0.04 -4.90 116.55 107.52 1ubh n ASP 544 Ca 0.06 -0.67 -0.38 0.00 -1.38 0.00 0.00 54.79 52.41 1ubh n ASP 544 Cb 0.37 -4.71 0.02 0.00 -1.04 0.00 0.00 41.12 35.76 1ubh n ASP 544 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1ubh s PRO 545 N -4.52 3.42 -0.26 -0.67 0.02 -1.26 -4.95 135.00 126.78 1ubh s PRO 545 Ca 0.37 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.45 1ubh s PRO 545 Cb -0.07 -2.36 0.09 0.00 0.02 0.00 0.00 34.50 32.18 1ubh s PRO 545 CO 0.77 -0.92 0.11 0.00 -0.33 0.00 0.00 177.00 176.63 1ubh h ILE 547 N 6.43 0.93 -0.44 0.00 1.08 -1.33 -0.34 117.51 123.84 1ubh h ILE 547 Ca -0.18 -2.43 -0.05 0.00 -0.39 0.00 0.00 64.86 61.82 1ubh h ILE 547 Cb 1.05 2.40 -0.02 0.00 -3.07 0.00 0.00 36.82 37.18 1ubh h ILE 547 CO 0.41 0.53 0.09 0.00 -0.69 0.00 0.00 178.15 178.49 1ubh h ALA 548 N 1.34 0.58 -0.18 1.87 0.00 -1.84 -1.45 119.26 119.59 1ubh h ALA 548 Ca -0.07 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1ubh h ALA 548 Cb 1.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1ubh h ALA 548 CO 0.07 0.28 0.02 0.00 0.00 0.00 0.00 179.25 179.62 1ubh h GLY 550 N 0.09 0.25 0.03 0.00 0.00 -0.73 -3.33 103.07 99.37 1ubh h GLY 550 Ca 0.08 -0.23 -0.41 0.00 0.00 0.00 0.00 47.33 46.78 1ubh h GLY 550 CO -0.12 0.21 -2.46 -0.62 0.00 0.00 0.00 176.54 173.55 1ubh n VAL 551 N -4.04 1.51 -0.19 4.60 0.31 -0.57 -4.42 118.33 115.53 1ubh n VAL 551 Ca -0.01 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1ubh n VAL 551 Cb 0.47 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1ubh n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51