#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubj s SER 20 N 0.00 -0.76 0.27 6.43 1.04 -1.26 -5.01 113.70 114.40 1ubj s SER 20 Ca 0.00 1.28 -0.30 0.00 0.48 0.00 0.00 55.95 57.42 1ubj s SER 20 Cb 0.00 1.19 -0.10 0.00 0.10 0.00 0.00 66.02 67.21 1ubj s SER 20 CO 0.00 -0.22 1.39 -0.47 0.98 0.00 0.00 173.24 174.92 1ubj s TYR 21 N 1.28 3.05 -0.08 5.02 5.04 -1.26 -4.29 117.35 126.10 1ubj s TYR 21 Ca -0.08 1.16 0.03 0.00 -2.44 0.00 0.00 57.07 55.75 1ubj s TYR 21 Cb -0.06 -3.76 0.01 0.00 0.35 0.00 0.00 41.96 38.50 1ubj s TYR 21 CO -0.13 -2.35 -0.18 -1.12 -1.34 0.00 0.00 175.55 170.43 1ubj s SER 22 N 0.11 2.39 0.00 4.32 0.01 -1.26 -1.01 113.70 118.27 1ubj s SER 22 Ca 0.56 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1ubj s SER 22 Cb -0.41 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1ubj s SER 22 CO 0.46 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.81 1ubj n GLY 23 N 3.70 -0.06 3.85 3.44 0.00 0.94 -4.97 105.19 112.08 1ubj n GLY 23 Ca -0.21 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1ubj n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubj s PRO 24 N -1.56 3.85 -0.02 1.61 0.04 -1.26 0.31 135.00 137.97 1ubj s PRO 24 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1ubj s PRO 24 Cb 0.00 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1ubj s PRO 24 CO 0.00 -0.35 -0.00 0.42 0.04 0.00 0.00 177.00 177.11 1ubj s ILE 25 N -2.77 0.17 -0.07 0.56 1.01 -0.28 -4.89 121.20 114.93 1ubj s ILE 25 Ca 0.58 0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.32 1ubj s ILE 25 Cb -0.10 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1ubj s ILE 25 CO 0.38 0.13 -0.18 -0.69 0.00 0.00 0.00 174.94 174.57 1ubj s VAL 26 N 0.82 2.69 -0.31 2.92 1.01 -1.26 -0.48 120.40 125.79 1ubj s VAL 26 Ca -0.08 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1ubj s VAL 26 Cb -0.11 -2.05 0.09 0.00 0.00 0.00 0.00 36.38 34.30 1ubj s VAL 26 CO -0.01 0.57 -0.00 -0.69 0.00 0.00 0.00 175.10 174.96 1ubj s VAL 27 N -0.23 2.16 -0.28 2.92 1.01 -0.37 -5.01 120.40 120.61 1ubj s VAL 27 Ca -0.00 -2.05 0.01 0.00 0.00 0.00 0.00 61.98 59.94 1ubj s VAL 27 Cb -0.13 -2.49 0.16 0.00 0.00 0.00 0.00 36.38 33.92 1ubj s VAL 27 CO 0.03 -0.41 0.45 -0.62 0.00 0.00 0.00 175.10 174.55 1ubj s ASP 28 N 1.01 -0.19 0.29 3.32 3.68 -1.26 -1.33 116.67 122.19 1ubj s ASP 28 Ca 0.04 0.08 -0.21 0.00 2.13 0.00 0.00 52.55 54.59 1ubj s ASP 28 Cb -0.19 1.39 -0.09 0.00 -1.45 0.00 0.00 42.92 42.58 1ubj s ASP 28 CO -0.08 -0.32 0.82 -2.16 0.13 0.00 0.00 175.17 173.57 1ubj s PRO 29 N 2.63 4.32 -0.40 4.34 0.04 -1.26 -5.09 135.00 139.58 1ubj s PRO 29 Ca 0.12 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1ubj s PRO 29 Cb -0.13 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.71 1ubj s PRO 29 CO -0.24 0.27 1.37 0.08 0.04 0.00 0.00 177.00 178.52 1ubj s VAL 30 N -1.70 3.97 0.68 -0.36 1.01 -0.54 -5.02 120.40 118.44 1ubj s VAL 30 Ca 0.49 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 63.46 1ubj s VAL 30 Cb -0.15 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.09 1ubj s VAL 30 CO 0.20 -0.72 0.96 0.42 0.00 0.00 0.00 175.10 175.95 1ubj s THR 31 N 5.14 2.32 -1.40 3.92 -4.23 -1.26 -4.41 115.64 115.72 1ubj s THR 31 Ca 0.59 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.51 1ubj s THR 31 Cb -0.14 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 70.92 1ubj s THR 31 CO 0.31 0.00 1.04 0.54 -0.54 0.00 0.00 174.62 175.96 1ubj n ARG 32 N -2.77 -6.60 -4.29 3.99 1.74 -1.26 -5.01 116.66 102.46 1ubj n ARG 32 Ca 0.11 0.73 -0.16 0.00 -0.77 0.00 0.00 57.85 57.76 1ubj n ARG 32 Cb 0.60 -5.66 -0.10 0.00 -1.02 0.00 0.00 32.46 26.28 1ubj n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1ubj s ILE 33 N -3.36 0.38 0.07 0.55 -4.36 -1.26 -4.73 121.20 108.49 1ubj s ILE 33 Ca 0.47 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.61 1ubj s ILE 33 Cb -0.22 -2.58 -0.06 0.00 1.25 0.00 0.00 42.46 40.84 1ubj s ILE 33 CO 0.78 0.00 0.77 -0.70 0.24 0.00 0.00 174.94 176.03 1ubj s GLU 34 N -4.03 4.51 0.45 0.37 -6.30 -1.09 -4.99 118.70 107.63 1ubj s GLU 34 Ca 0.38 1.10 0.00 0.00 -2.50 0.00 0.00 54.97 53.94 1ubj s GLU 34 Cb 0.07 -3.34 0.00 0.00 0.00 0.00 0.00 34.13 30.86 1ubj s GLU 34 CO 0.14 0.34 0.00 0.41 0.02 0.00 0.00 175.26 176.17 1ubj n GLY 35 N 2.22 -2.14 3.16 -1.50 0.00 -1.26 -0.51 105.19 105.16 1ubj n GLY 35 Ca -0.03 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 1ubj n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubj s HIS 36 N -0.18 3.52 -0.06 1.61 3.76 -1.26 -4.83 115.29 117.86 1ubj s HIS 36 Ca 0.00 -2.21 0.06 0.00 -0.15 0.00 0.00 55.06 52.76 1ubj s HIS 36 Cb 0.00 -3.34 -0.01 0.00 1.11 0.00 0.00 32.58 30.34 1ubj s HIS 36 CO 0.00 -0.98 -0.23 -1.17 -0.85 0.00 0.00 174.74 171.51 1ubj s LEU 37 N 1.20 2.19 -0.19 0.89 2.96 -1.26 -1.17 118.68 123.30 1ubj s LEU 37 Ca 0.07 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1ubj s LEU 37 Cb -0.24 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.05 1ubj s LEU 37 CO -0.03 0.26 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.52 1ubj s ARG 38 N -0.26 3.15 -0.17 1.98 3.52 0.11 -1.46 118.95 125.81 1ubj s ARG 38 Ca -0.00 -0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 1ubj s ARG 38 Cb -0.13 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 1ubj s ARG 38 CO 0.03 -0.16 0.02 0.42 -0.81 0.00 0.00 175.30 174.80 1ubj s ILE 39 N 1.24 4.36 -0.09 4.11 -1.09 -0.44 -0.67 121.20 128.61 1ubj s ILE 39 Ca 0.03 -0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 1ubj s ILE 39 Cb -0.14 -2.94 -0.01 0.00 -1.58 0.00 0.00 42.46 37.78 1ubj s ILE 39 CO -0.07 0.47 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.31 1ubj s GLU 40 N 0.43 2.93 0.11 2.79 2.02 -0.30 -1.23 118.70 125.44 1ubj s GLU 40 Ca -0.00 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.24 1ubj s GLU 40 Cb -0.13 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1ubj s GLU 40 CO 0.02 0.33 -0.11 0.14 0.02 0.00 0.00 175.26 175.65 1ubj s VAL 41 N 0.02 1.09 -0.23 2.63 -7.23 0.37 -0.54 120.40 116.50 1ubj s VAL 41 Ca -0.07 -1.70 -0.10 0.00 -1.81 0.00 0.00 61.98 58.31 1ubj s VAL 41 Cb -0.15 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1ubj s VAL 41 CO 0.05 -0.53 0.14 -1.61 -0.31 0.00 0.00 175.10 172.84 1ubj s GLU 42 N -2.82 4.05 -0.10 4.82 2.02 -0.50 -1.12 118.70 125.03 1ubj s GLU 42 Ca 0.07 -0.29 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 1ubj s GLU 42 Cb -0.03 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 1ubj s GLU 42 CO 0.01 0.09 -0.04 0.08 0.02 0.00 0.00 175.26 175.41 1ubj s VAL 43 N 0.97 3.90 -0.17 2.63 1.01 0.15 -0.01 120.40 128.88 1ubj s VAL 43 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1ubj s VAL 43 Cb -0.13 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1ubj s VAL 43 CO 0.04 0.56 -0.12 -0.70 0.00 0.00 0.00 175.10 174.88 1ubj s GLU 44 N -0.41 2.10 -1.47 2.72 2.12 -0.22 -0.04 118.70 123.49 1ubj s GLU 44 Ca 0.07 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 54.67 1ubj s GLU 44 Cb -0.12 -2.20 0.03 0.00 0.26 0.00 0.00 34.13 32.09 1ubj s GLU 44 CO 0.02 -0.33 0.67 0.09 -0.54 0.00 0.00 175.26 175.17 1ubj n ASN 45 N 4.75 -5.50 -0.01 -1.70 4.13 -1.10 -2.22 115.26 113.62 1ubj n ASN 45 Ca -0.15 -0.37 -0.00 0.00 1.68 0.00 0.00 54.58 55.73 1ubj n ASN 45 Cb 0.48 -4.44 -0.00 0.00 -1.54 0.00 0.00 39.78 34.28 1ubj n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ubj n GLY 46 N -1.51 0.47 3.15 7.41 0.00 -0.18 -4.78 105.19 109.75 1ubj n GLY 46 Ca -0.07 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1ubj n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubj s LYS 47 N -0.48 1.12 0.10 1.61 3.01 -0.94 -0.62 119.74 123.55 1ubj s LYS 47 Ca 0.00 -0.67 -0.31 0.00 -1.01 0.00 0.00 55.97 53.98 1ubj s LYS 47 Cb 0.00 -1.12 -0.08 0.00 -1.01 0.00 0.00 37.83 35.62 1ubj s LYS 47 CO 0.00 0.29 1.46 0.08 0.51 0.00 0.00 175.35 177.70 1ubj s VAL 48 N -0.59 3.19 -0.31 3.17 1.01 0.53 -1.06 120.40 126.35 1ubj s VAL 48 Ca 0.04 0.80 0.10 0.00 0.00 0.00 0.00 61.98 62.92 1ubj s VAL 48 Cb -0.07 -3.51 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 1ubj s VAL 48 CO 0.00 0.04 0.35 1.17 0.00 0.00 0.00 175.10 176.67 1ubj n LYS 49 N 4.38 2.56 -3.62 2.72 4.81 0.99 -0.54 118.16 129.46 1ubj n LYS 49 Ca 0.13 -0.03 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 1ubj n LYS 49 Cb 0.41 -1.06 -0.06 0.00 0.02 0.00 0.00 35.03 34.34 1ubj n LYS 49 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1ubj s ASN 50 N -2.36 -0.40 -0.06 3.14 3.04 -1.18 -4.94 114.94 112.18 1ubj s ASN 50 Ca 0.01 0.23 -0.16 0.00 0.04 0.00 0.00 52.86 52.99 1ubj s ASN 50 Cb 0.07 0.45 0.03 0.00 -1.54 0.00 0.00 41.25 40.26 1ubj s ASN 50 CO 0.41 -0.62 0.37 0.00 -3.04 0.00 0.00 177.10 174.21 1ubj s ALA 51 N -1.94 -0.93 -0.04 1.71 0.00 -1.26 -1.41 121.76 117.89 1ubj s ALA 51 Ca -0.08 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1ubj s ALA 51 Cb -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ubj s ALA 51 CO 0.02 -0.24 -0.05 0.71 0.00 0.00 0.00 175.76 176.20 1ubj s TYR 52 N -0.80 0.73 -0.43 0.00 2.02 0.30 -4.89 117.35 114.29 1ubj s TYR 52 Ca -0.09 -0.19 -0.11 0.00 -0.37 0.00 0.00 57.07 56.31 1ubj s TYR 52 Cb -0.04 -0.62 0.07 0.00 -0.40 0.00 0.00 41.96 40.97 1ubj s TYR 52 CO 0.03 -0.16 0.29 0.45 -1.57 0.00 0.00 175.55 174.60 1ubj s SER 53 N 0.71 5.81 -0.29 2.29 0.15 -1.26 -1.15 113.70 119.96 1ubj s SER 53 Ca -0.10 -1.38 -0.04 0.00 0.70 0.00 0.00 55.95 55.13 1ubj s SER 53 Cb -0.13 -2.05 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 1ubj s SER 53 CO 0.00 -0.55 0.02 -0.55 1.20 0.00 0.00 173.24 173.36 1ubj s SER 54 N 2.19 4.84 -0.21 5.45 0.15 0.15 -4.49 113.70 121.78 1ubj s SER 54 Ca 0.03 -0.95 -0.17 0.00 0.70 0.00 0.00 55.95 55.56 1ubj s SER 54 Cb -0.23 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 1ubj s SER 54 CO 0.04 -0.21 0.46 -0.44 1.20 0.00 0.00 173.24 174.29 1ubj s SER 55 N 1.38 6.47 -0.11 5.45 0.01 -1.26 0.07 113.70 125.71 1ubj s SER 55 Ca -0.01 0.56 0.14 0.00 1.31 0.00 0.00 55.95 57.96 1ubj s SER 55 Cb -0.18 -2.26 0.37 0.00 0.21 0.00 0.00 66.02 64.17 1ubj s SER 55 CO -0.00 -0.15 1.28 0.35 0.41 0.00 0.00 173.24 175.13 1ubj n THR 56 N 4.56 1.78 -4.76 1.44 -2.24 -0.32 -1.43 114.28 113.30 1ubj n THR 56 Ca -0.06 -1.66 -0.25 0.00 -2.27 0.00 0.00 64.05 59.80 1ubj n THR 56 Cb 0.51 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 1ubj n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ubj s LEU 57 N -2.22 1.88 -0.02 3.22 2.96 -1.26 -5.04 118.68 118.20 1ubj s LEU 57 Ca 0.31 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1ubj s LEU 57 Cb 0.24 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 1ubj s LEU 57 CO 0.08 0.13 -0.26 0.12 -1.32 0.00 0.00 176.35 175.11 1ubj s PHE 58 N 0.09 2.29 -0.04 5.38 5.36 -1.26 -4.86 117.98 124.95 1ubj s PHE 58 Ca -0.04 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 1ubj s PHE 58 Cb -0.11 -1.47 -0.03 0.00 -0.34 0.00 0.00 43.02 41.07 1ubj s PHE 58 CO 0.02 -0.04 -0.04 0.54 -1.46 0.00 0.00 175.22 174.25 1ubj n ARG 59 N 2.45 0.10 -1.69 10.12 1.74 -0.58 -5.09 116.66 123.71 1ubj n ARG 59 Ca -0.16 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1ubj n ARG 59 Cb 0.51 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1ubj n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubj n GLY 60 N 3.31 0.89 0.33 -0.13 0.00 -0.68 -4.97 105.19 103.94 1ubj n GLY 60 Ca -0.07 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.44 1ubj n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubj h LEU 61 N 0.00 0.50 -1.25 0.99 3.38 -1.91 -1.09 115.31 115.93 1ubj h LEU 61 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ubj h LEU 61 Cb 0.74 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1ubj h LEU 61 CO 0.00 0.34 0.23 -0.33 0.09 0.00 0.00 178.44 178.77 1ubj h GLU 62 N 0.58 0.75 -0.32 1.13 5.08 -1.93 -0.77 114.58 119.10 1ubj h GLU 62 Ca 0.21 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1ubj h GLU 62 Cb 0.14 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ubj h GLU 62 CO -0.06 0.60 -0.18 0.82 -1.00 0.00 0.00 179.01 179.19 1ubj h ILE 63 N 0.74 1.29 -0.42 3.13 2.04 -1.55 -3.15 117.51 119.60 1ubj h ILE 63 Ca 0.18 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 1ubj h ILE 63 Cb 0.12 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1ubj h ILE 63 CO -0.02 0.42 0.14 0.40 0.00 0.00 0.00 178.15 179.09 1ubj h ILE 64 N 0.46 1.18 0.00 -0.67 2.04 -0.96 -2.70 117.51 116.85 1ubj h ILE 64 Ca 0.07 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1ubj h ILE 64 Cb 0.72 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1ubj h ILE 64 CO 0.05 0.22 -0.10 -0.07 0.00 0.00 0.00 178.15 178.26 1ubj h LEU 65 N 0.60 0.00 -9.60 1.44 3.38 -1.11 -3.46 115.31 106.57 1ubj h LEU 65 Ca 0.14 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.55 1ubj h LEU 65 Cb 0.18 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.00 1ubj h LEU 65 CO -0.01 0.10 0.81 0.29 0.09 0.00 0.00 178.44 179.72 1ubj n LYS 66 N -3.27 2.34 -0.23 1.13 5.02 -1.02 -1.91 118.16 120.21 1ubj n LYS 66 Ca -0.00 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1ubj n LYS 66 Cb 0.33 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 1ubj n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubj n GLY 67 N 2.99 1.39 3.93 0.72 0.00 0.67 -4.97 105.19 109.92 1ubj n GLY 67 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1ubj n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubj s ARG 68 N -0.41 2.11 0.04 1.61 0.52 -0.80 -4.48 118.95 117.54 1ubj s ARG 68 Ca 0.00 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 1ubj s ARG 68 Cb 0.00 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.24 1ubj s ARG 68 CO 0.00 -1.30 1.56 0.34 0.02 0.00 0.00 175.30 175.92 1ubj s ASP 69 N -4.54 6.69 0.56 0.23 -1.08 -1.26 -0.74 116.67 116.53 1ubj s ASP 69 Ca 0.61 2.35 0.27 0.00 -0.52 0.00 0.00 52.55 55.26 1ubj s ASP 69 Cb -0.10 -2.56 1.48 0.00 -1.46 0.00 0.00 42.92 40.28 1ubj s ASP 69 CO 0.45 -0.83 1.99 -0.65 0.52 0.00 0.00 175.17 176.65 1ubj h PRO 70 N 8.16 0.00 0.00 4.34 0.11 -1.90 0.12 132.00 142.83 1ubj h PRO 70 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1ubj h PRO 70 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ubj h PRO 70 CO 0.92 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.62 1ubj h ARG 71 N 0.00 0.00 0.00 1.05 3.08 -1.95 -2.44 114.38 114.13 1ubj h ARG 71 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ubj h ARG 71 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1ubj h ARG 71 CO -0.00 0.09 -0.27 -0.25 -1.07 0.00 0.00 179.97 178.47 1ubj n ASP 72 N -3.55 0.36 -0.19 7.04 8.00 0.41 -4.30 116.55 124.31 1ubj n ASP 72 Ca -0.02 0.18 -0.06 0.00 0.71 0.00 0.00 54.79 55.60 1ubj n ASP 72 Cb 0.21 -0.16 0.04 0.00 -0.02 0.00 0.00 41.12 41.19 1ubj n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubj h ALA 73 N 2.89 0.72 0.00 2.24 0.00 -1.48 -2.25 119.26 121.39 1ubj h ALA 73 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ubj h ALA 73 Cb 0.56 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ubj h ALA 73 CO 0.00 0.11 -0.06 -0.56 0.00 0.00 0.00 179.25 178.73 1ubj h GLN 74 N 0.72 0.00 -0.36 0.00 3.07 -1.79 0.20 115.11 116.96 1ubj h GLN 74 Ca 0.22 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.81 1ubj h GLN 74 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.53 1ubj h GLN 74 CO -0.07 0.06 -0.36 0.45 0.09 0.00 0.00 178.83 179.00 1ubj h HIS 75 N 0.00 1.05 -0.04 0.06 3.86 -1.68 -1.51 115.15 116.89 1ubj h HIS 75 Ca -0.00 -0.32 -0.02 0.00 -1.16 0.00 0.00 60.37 58.88 1ubj h HIS 75 Cb 0.11 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1ubj h HIS 75 CO 0.00 1.12 -0.04 0.74 0.86 0.00 0.00 177.93 180.61 1ubj h PHE 76 N 0.67 0.11 0.00 2.45 -1.00 -1.27 -3.31 116.94 114.59 1ubj h PHE 76 Ca 0.06 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1ubj h PHE 76 Cb 0.95 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1ubj h PHE 76 CO 0.07 0.58 0.00 1.79 -1.61 0.00 0.00 178.31 179.14 1ubj h THR 77 N -0.39 0.00 -0.27 -1.55 1.35 -0.64 -1.45 112.91 109.96 1ubj h THR 77 Ca 0.00 -0.60 0.05 0.00 -0.55 0.00 0.00 66.41 65.32 1ubj h THR 77 Cb 0.57 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1ubj h THR 77 CO 0.01 0.00 0.18 -0.61 -0.25 0.00 0.00 175.52 174.86 1ubj h GLN 78 N 0.00 0.13 0.00 4.72 4.15 -1.36 0.11 115.11 122.86 1ubj h GLN 78 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ubj h GLN 78 Cb 0.62 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1ubj h GLN 78 CO 0.00 0.09 0.00 0.54 -1.93 0.00 0.00 178.83 177.53 1ubj n ARG 79 N -4.48 0.99 -0.34 1.69 3.00 -0.55 -2.47 116.66 114.50 1ubj n ARG 79 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.91 1ubj n ARG 79 Cb 0.25 -1.10 0.22 0.00 0.00 0.00 0.00 32.46 31.83 1ubj n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1ubj h THR 80 N 0.00 1.04 -1.92 0.55 2.02 -0.86 -3.44 112.91 110.29 1ubj h THR 80 Ca 0.00 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 66.85 1ubj h THR 80 Cb 0.00 -0.12 -0.22 0.00 -1.74 0.00 0.00 68.15 66.07 1ubj h THR 80 CO 0.00 0.19 0.07 0.00 0.37 0.00 0.00 175.52 176.16 1ubj n GLY 82 N 4.26 -0.09 0.06 0.00 0.00 -1.26 -3.11 105.19 105.05 1ubj n GLY 82 Ca -0.20 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 1ubj n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ubj h VAL 83 N 2.21 0.30 -0.64 1.61 2.07 -1.95 -3.30 116.25 116.55 1ubj h VAL 83 Ca 0.00 -1.25 -0.42 0.00 0.82 0.00 0.00 66.70 65.85 1ubj h VAL 83 Cb 0.70 0.59 -0.12 0.00 -1.52 0.00 0.00 31.29 30.94 1ubj h VAL 83 CO 0.00 0.10 0.50 0.00 0.02 0.00 0.00 177.57 178.19 1ubj n THR 85 N 1.67 0.00 0.00 0.00 5.66 -1.18 -3.04 114.28 117.39 1ubj n THR 85 Ca 0.50 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 1ubj n THR 85 Cb 0.63 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 1ubj n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ubj n TYR 86 N -4.23 0.00 -0.35 1.09 -0.00 -1.26 -4.70 117.16 107.71 1ubj n TYR 86 Ca 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.08 1ubj n TYR 86 Cb 0.54 0.00 0.29 0.00 -0.00 0.00 0.00 39.34 40.17 1ubj n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1ubj h THR 87 N 0.00 0.78 0.05 2.97 1.35 -1.90 0.12 112.91 116.27 1ubj h THR 87 Ca 0.00 -0.29 -0.23 0.00 -0.55 0.00 0.00 66.41 65.34 1ubj h THR 87 Cb 0.00 -0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.27 1ubj h THR 87 CO 0.00 0.15 -1.05 0.45 -0.25 0.00 0.00 175.52 174.83 1ubj h HIS 88 N 0.84 0.26 -0.62 4.73 3.86 -1.84 0.29 115.15 122.67 1ubj h HIS 88 Ca 0.55 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.60 1ubj h HIS 88 Cb 0.75 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 1ubj h HIS 88 CO -0.01 1.09 0.40 0.00 0.86 0.00 0.00 177.93 180.27 1ubj h ALA 89 N 0.85 0.79 -0.34 2.45 0.00 -1.36 -0.11 119.26 121.54 1ubj h ALA 89 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ubj h ALA 89 Cb 1.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1ubj h ALA 89 CO 0.16 0.17 0.08 1.25 0.00 0.00 0.00 179.25 180.91 1ubj h LEU 90 N 0.80 0.52 -0.59 0.00 5.85 -0.61 0.20 115.31 121.48 1ubj h LEU 90 Ca 0.24 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1ubj h LEU 90 Cb -0.04 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1ubj h LEU 90 CO -0.07 0.62 0.13 0.00 -0.34 0.00 0.00 178.44 178.78 1ubj h ALA 91 N 0.92 0.78 -0.38 1.25 0.00 -0.71 0.14 119.26 121.27 1ubj h ALA 91 Ca 0.11 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1ubj h ALA 91 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ubj h ALA 91 CO 0.00 0.50 -0.28 0.77 0.00 0.00 0.00 179.25 180.24 1ubj h SER 92 N 0.87 0.84 -0.40 0.00 0.02 -0.92 0.13 113.55 114.09 1ubj h SER 92 Ca 0.18 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.66 1ubj h SER 92 Cb 0.37 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1ubj h SER 92 CO 0.00 1.07 -0.31 0.74 -1.14 0.00 0.00 176.83 177.19 1ubj h THR 93 N 0.69 1.27 -0.67 -2.27 2.02 -0.73 0.21 112.91 113.44 1ubj h THR 93 Ca 0.08 -1.48 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 1ubj h THR 93 Cb 0.82 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1ubj h THR 93 CO 0.07 0.50 0.34 0.03 0.37 0.00 0.00 175.52 176.83 1ubj h ARG 94 N 0.78 0.93 -0.20 6.66 3.08 -0.56 0.12 114.38 125.19 1ubj h ARG 94 Ca 0.08 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1ubj h ARG 94 Cb 0.89 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1ubj h ARG 94 CO 0.08 0.71 0.02 0.00 -1.07 0.00 0.00 179.97 179.71 1ubj h VAL 96 N 0.12 1.43 -0.46 0.00 2.07 -0.35 -1.48 116.25 117.58 1ubj h VAL 96 Ca 0.06 -2.39 0.09 0.00 0.82 0.00 0.00 66.70 65.28 1ubj h VAL 96 Cb 0.36 2.32 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 1ubj h VAL 96 CO 0.01 0.71 -0.05 0.44 0.02 0.00 0.00 177.57 178.69 1ubj h ASP 97 N 0.19 -0.30 -0.66 0.57 3.45 -0.78 -1.16 116.42 117.73 1ubj h ASP 97 Ca -0.05 0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 1ubj h ASP 97 Cb 1.44 0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 40.41 1ubj h ASP 97 CO 0.14 -0.10 0.37 -1.13 -1.57 0.00 0.00 179.24 176.94 1ubj h ASN 98 N 0.06 0.82 -0.37 6.45 -0.73 -1.04 0.27 115.58 121.04 1ubj h ASN 98 Ca 0.23 -0.09 -0.07 0.00 1.87 0.00 0.00 56.30 58.24 1ubj h ASN 98 Cb 0.34 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 1ubj h ASN 98 CO -0.42 0.68 -0.01 0.00 -0.37 0.00 0.00 177.43 177.30 1ubj h ALA 99 N 1.18 1.14 -0.00 1.57 0.00 -0.56 -2.37 119.26 120.21 1ubj h ALA 99 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ubj h ALA 99 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ubj h ALA 99 CO -0.04 0.55 -0.42 1.33 0.00 0.00 0.00 179.25 180.67 1ubj n VAL 100 N -4.22 0.00 -1.62 0.00 0.24 -0.50 -4.73 118.33 107.50 1ubj n VAL 100 Ca 0.02 -0.06 -0.04 0.00 -2.04 0.00 0.00 64.34 62.22 1ubj n VAL 100 Cb 0.29 0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 33.03 1ubj n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ubj n GLY 101 N 1.43 0.43 3.80 7.63 0.00 -0.00 -4.73 105.19 113.74 1ubj n GLY 101 Ca 0.08 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1ubj n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubj s VAL 102 N -2.17 4.71 -0.39 1.61 0.11 -0.68 -5.03 120.40 118.57 1ubj s VAL 102 Ca 0.00 1.29 -0.10 0.00 -2.93 0.00 0.00 61.98 60.24 1ubj s VAL 102 Cb 0.00 -3.94 0.05 0.00 -1.53 0.00 0.00 36.38 30.96 1ubj s VAL 102 CO 0.00 0.53 0.23 -1.00 -3.33 0.00 0.00 175.10 171.53 1ubj s HIS 103 N -0.97 3.27 0.69 1.54 0.09 -1.26 -4.66 115.29 113.98 1ubj s HIS 103 Ca 0.30 -1.16 -0.12 0.00 -0.00 0.00 0.00 55.06 54.08 1ubj s HIS 103 Cb -0.20 -2.62 0.01 0.00 -0.00 0.00 0.00 32.58 29.76 1ubj s HIS 103 CO 0.20 -0.72 1.07 0.96 -0.00 0.00 0.00 174.74 176.24 1ubj s ILE 104 N 1.51 3.83 0.82 0.60 -4.36 -1.26 -4.87 121.20 117.47 1ubj s ILE 104 Ca 0.02 0.66 -0.11 0.00 -0.26 0.00 0.00 60.65 60.96 1ubj s ILE 104 Cb -0.21 -3.30 0.09 0.00 1.25 0.00 0.00 42.46 40.29 1ubj s ILE 104 CO 0.05 -0.71 1.14 -2.84 0.24 0.00 0.00 174.94 172.82 1ubj s PRO 105 N -4.78 1.70 0.25 0.37 0.02 -1.26 -4.83 135.00 126.48 1ubj s PRO 105 Ca 0.60 1.48 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 1ubj s PRO 105 Cb -0.15 -1.81 0.50 0.00 0.02 0.00 0.00 34.50 33.05 1ubj s PRO 105 CO 0.51 -2.11 1.75 0.87 -0.33 0.00 0.00 177.00 177.69 1ubj h LYS 106 N -1.23 0.53 -0.18 5.54 1.57 -1.94 -1.16 116.57 119.71 1ubj h LYS 106 Ca -0.44 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 1ubj h LYS 106 Cb 1.26 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1ubj h LYS 106 CO 0.47 0.35 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.46 1ubj h ASN 107 N 0.55 0.37 -0.70 0.86 2.35 -1.92 0.24 115.58 117.33 1ubj h ASN 107 Ca 0.44 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1ubj h ASN 107 Cb 0.64 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 1ubj h ASN 107 CO -0.38 0.68 0.22 0.00 -1.65 0.00 0.00 177.43 176.31 1ubj h ALA 108 N 1.34 1.04 -0.54 -0.83 0.00 -1.42 0.14 119.26 119.00 1ubj h ALA 108 Ca 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1ubj h ALA 108 Cb 0.74 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ubj h ALA 108 CO 0.06 0.65 0.19 1.15 0.00 0.00 0.00 179.25 181.29 1ubj h THR 109 N 1.06 1.23 -0.24 0.00 2.02 -0.90 0.16 112.91 116.24 1ubj h THR 109 Ca 0.23 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1ubj h THR 109 Cb 0.30 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1ubj h THR 109 CO -0.01 0.28 0.08 1.88 0.37 0.00 0.00 175.52 178.12 1ubj h TYR 110 N 0.74 0.38 -0.32 3.16 0.99 -0.63 0.18 116.97 121.46 1ubj h TYR 110 Ca 0.18 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.81 1ubj h TYR 110 Cb 0.25 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 1ubj h TYR 110 CO 0.01 0.43 -0.04 0.82 -0.00 0.00 0.00 178.16 179.39 1ubj h ILE 111 N 0.22 1.27 -0.85 -2.88 2.04 -0.82 0.14 117.51 116.63 1ubj h ILE 111 Ca 0.08 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 64.94 1ubj h ILE 111 Cb 0.23 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1ubj h ILE 111 CO -0.00 0.34 0.54 0.03 0.00 0.00 0.00 178.15 179.05 1ubj h ARG 112 N 0.38 1.01 -0.62 2.37 3.08 -0.90 -1.53 114.38 118.16 1ubj h ARG 112 Ca 0.09 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1ubj h ARG 112 Cb 0.51 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1ubj h ARG 112 CO 0.02 0.67 0.02 -0.91 -1.07 0.00 0.00 179.97 178.70 1ubj h ASN 113 N 1.04 1.06 -0.57 7.04 -0.26 -0.50 -1.98 115.58 121.40 1ubj h ASN 113 Ca 0.34 -0.30 -0.09 0.00 -0.56 0.00 0.00 56.30 55.70 1ubj h ASN 113 Cb 0.04 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 1ubj h ASN 113 CO -0.13 1.10 0.03 -0.07 -1.06 0.00 0.00 177.43 177.31 1ubj h LEU 114 N 0.99 0.98 -0.65 1.61 3.38 -0.30 0.25 115.31 121.57 1ubj h LEU 114 Ca 0.18 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1ubj h LEU 114 Cb 0.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1ubj h LEU 114 CO 0.03 1.02 -0.47 0.58 0.09 0.00 0.00 178.44 179.69 1ubj h VAL 115 N 0.94 1.32 -0.56 1.22 2.07 -1.20 -1.29 116.25 118.74 1ubj h VAL 115 Ca 0.18 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 1ubj h VAL 115 Cb 0.50 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1ubj h VAL 115 CO 0.02 0.52 0.01 0.25 0.02 0.00 0.00 177.57 178.39 1ubj h LEU 116 N 0.40 0.96 -0.85 2.57 5.85 -1.01 -1.06 115.31 122.17 1ubj h LEU 116 Ca 0.02 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1ubj h LEU 116 Cb 0.97 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1ubj h LEU 116 CO 0.09 1.03 0.44 1.23 -0.34 0.00 0.00 178.44 180.89 1ubj h GLY 117 N 0.87 1.29 1.12 3.75 0.00 -0.65 -0.93 103.07 108.51 1ubj h GLY 117 Ca 0.16 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1ubj h GLY 117 CO 0.03 0.58 0.15 0.00 0.00 0.00 0.00 176.54 177.30 1ubj h ALA 118 N 1.24 0.99 -0.52 3.60 0.00 -1.03 -2.50 119.26 121.02 1ubj h ALA 118 Ca 0.30 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ubj h ALA 118 Cb 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1ubj h ALA 118 CO -0.04 0.65 0.30 0.37 0.00 0.00 0.00 179.25 180.53 1ubj h GLN 119 N 1.03 0.57 -0.89 0.00 5.75 -0.55 -1.77 115.11 119.25 1ubj h GLN 119 Ca 0.21 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.73 1ubj h GLN 119 Cb 0.38 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 28.74 1ubj h GLN 119 CO 0.00 0.38 0.56 1.88 -2.65 0.00 0.00 178.83 179.00 1ubj h TYR 120 N 0.59 1.04 -0.13 3.99 -1.99 -0.77 -0.44 116.97 119.25 1ubj h TYR 120 Ca 0.22 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.94 1ubj h TYR 120 Cb 0.06 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 38.45 1ubj h TYR 120 CO -0.07 0.54 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.50 1ubj h LEU 121 N 1.03 0.28 -0.12 3.88 3.38 -1.02 -0.46 115.31 122.27 1ubj h LEU 121 Ca 0.38 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1ubj h LEU 121 Cb 0.14 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1ubj h LEU 121 CO -0.16 0.63 -0.13 -0.74 0.09 0.00 0.00 178.44 178.12 1ubj h HIS 122 N -0.07 -0.33 0.25 1.13 2.76 -1.22 -2.05 115.15 115.62 1ubj h HIS 122 Ca 0.03 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1ubj h HIS 122 Cb 0.52 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1ubj h HIS 122 CO 0.07 -0.20 -0.12 0.22 -1.30 0.00 0.00 177.93 176.60 1ubj h ASP 123 N -0.16 -0.28 -0.23 3.26 1.82 -0.95 -1.94 116.42 117.93 1ubj h ASP 123 Ca 0.09 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.64 1ubj h ASP 123 Cb 0.29 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1ubj h ASP 123 CO -0.22 -0.20 -0.16 0.45 -1.61 0.00 0.00 179.24 177.50 1ubj h HIS 124 N -0.34 0.73 -0.32 0.28 3.86 -1.09 0.11 115.15 118.38 1ubj h HIS 124 Ca -0.03 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 1ubj h HIS 124 Cb 0.26 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1ubj h HIS 124 CO -0.06 0.78 0.12 0.82 0.86 0.00 0.00 177.93 180.45 1ubj h ILE 125 N 0.59 1.19 -0.65 2.45 2.04 -1.21 -1.43 117.51 120.49 1ubj h ILE 125 Ca 0.10 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1ubj h ILE 125 Cb 0.61 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1ubj h ILE 125 CO 0.04 0.20 0.19 0.58 0.00 0.00 0.00 178.15 179.16 1ubj h VAL 126 N 0.36 1.24 -0.07 1.67 2.07 -1.15 -2.26 116.25 118.12 1ubj h VAL 126 Ca 0.10 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1ubj h VAL 126 Cb 0.20 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ubj h VAL 126 CO -0.01 0.33 0.03 -0.74 0.02 0.00 0.00 177.57 177.20 1ubj h HIS 127 N 0.96 0.10 -0.11 1.57 -0.00 -0.54 0.30 115.15 117.42 1ubj h HIS 127 Ca 0.21 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.58 1ubj h HIS 127 Cb 0.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1ubj h HIS 127 CO 0.02 0.21 0.05 0.35 -0.00 0.00 0.00 177.93 178.56 1ubj h PHE 128 N -0.04 0.09 0.00 5.26 3.04 -1.09 0.18 116.94 124.39 1ubj h PHE 128 Ca 0.02 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1ubj h PHE 128 Cb 0.15 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 1ubj h PHE 128 CO -0.02 0.05 -0.01 1.88 -2.02 0.00 0.00 178.31 178.19 1ubj h TYR 129 N 0.11 0.00 0.00 0.41 0.05 -1.40 0.45 116.97 116.58 1ubj h TYR 129 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1ubj h TYR 129 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1ubj h TYR 129 CO -0.09 0.84 -1.16 0.72 -1.05 0.00 0.00 178.16 177.42 1ubj n HIS 130 N -4.64 0.39 -0.07 4.88 8.25 0.10 -3.59 115.22 120.55 1ubj n HIS 130 Ca -0.08 0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 1ubj n HIS 130 Cb 0.40 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.88 1ubj n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ubj n LEU 131 N -2.17 2.68 -0.03 2.41 4.77 -0.88 -4.85 117.00 118.92 1ubj n LEU 131 Ca 0.01 -0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 1ubj n LEU 131 Cb 0.48 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1ubj n LEU 131 CO 0.41 0.67 -0.92 1.57 -1.33 0.00 0.00 177.39 177.79 1ubj n HIS 132 N -3.03 0.96 0.29 -1.77 -0.00 0.57 -4.54 115.22 107.70 1ubj n HIS 132 Ca -0.26 0.22 0.14 0.00 0.46 0.00 0.00 57.72 58.29 1ubj n HIS 132 Cb 0.76 -1.12 0.88 0.00 -0.12 0.00 0.00 29.99 30.38 1ubj n HIS 132 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ubj h ALA 133 N -0.00 1.52 0.00 1.57 0.00 -0.96 -0.12 119.26 121.27 1ubj h ALA 133 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ubj h ALA 133 Cb 1.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1ubj h ALA 133 CO 0.02 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1ubj n LEU 134 N -3.86 0.00 0.10 0.00 4.77 -1.26 -0.49 117.00 116.26 1ubj n LEU 134 Ca -0.03 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1ubj n LEU 134 Cb 0.10 -0.34 0.44 0.00 -2.33 0.00 0.00 43.42 41.30 1ubj n LEU 134 CO 0.28 -0.19 0.88 0.47 -1.33 0.00 0.00 177.39 177.50 1ubj n ASP 135 N -1.34 0.70 0.00 -1.43 8.00 -0.06 -4.26 116.55 118.16 1ubj n ASP 135 Ca 0.06 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1ubj n ASP 135 Cb 0.12 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 1ubj n ASP 135 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ubj n PHE 136 N -2.19 0.00 -4.06 1.24 3.01 -0.15 -4.94 117.46 110.39 1ubj n PHE 136 Ca 0.05 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.16 1ubj n PHE 136 Cb 0.36 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.70 1ubj n PHE 136 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ubj s VAL 137 N -1.10 3.86 -0.65 -4.37 1.01 0.36 -4.58 120.40 114.92 1ubj s VAL 137 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1ubj s VAL 137 Cb 0.00 -2.74 0.08 0.00 0.00 0.00 0.00 36.38 33.72 1ubj s VAL 137 CO 0.00 0.43 0.91 -0.62 0.00 0.00 0.00 175.10 175.82 1ubj s ASP 138 N 1.08 6.19 0.23 3.32 -1.08 -1.26 -4.62 116.67 120.53 1ubj s ASP 138 Ca 0.02 -1.14 -0.06 0.00 -0.52 0.00 0.00 52.55 50.85 1ubj s ASP 138 Cb -0.14 -2.39 0.22 0.00 -1.46 0.00 0.00 42.92 39.15 1ubj s ASP 138 CO 0.01 -1.35 1.76 0.58 0.52 0.00 0.00 175.17 176.69 1ubj h VAL 139 N 5.96 1.25 0.00 1.11 2.07 -1.95 -2.52 116.25 122.16 1ubj h VAL 139 Ca -0.27 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1ubj h VAL 139 Cb 1.07 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1ubj h VAL 139 CO 1.16 0.35 -0.30 0.71 0.02 0.00 0.00 177.57 179.51 1ubj h THR 140 N 0.98 0.69 0.00 2.57 1.35 -1.95 -1.88 112.91 114.67 1ubj h THR 140 Ca 0.21 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1ubj h THR 140 Cb 0.34 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1ubj h THR 140 CO 0.00 0.29 0.00 0.00 -0.25 0.00 0.00 175.52 175.56 1ubj h ALA 141 N 1.70 1.00 -0.03 6.62 0.00 -1.84 -2.47 119.26 124.23 1ubj h ALA 141 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ubj h ALA 141 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ubj h ALA 141 CO 0.04 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.32 1ubj h ALA 142 N 2.15 1.65 0.00 0.00 0.00 -1.36 -0.15 119.26 121.55 1ubj h ALA 142 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ubj h ALA 142 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ubj h ALA 142 CO 0.00 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.09 1ubj h LEU 143 N 0.00 0.00 -2.13 0.00 4.07 -1.59 -2.65 115.31 113.01 1ubj h LEU 143 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1ubj h LEU 143 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1ubj h LEU 143 CO -0.00 0.04 0.00 2.29 -1.08 0.00 0.00 178.44 179.69 1ubj n LYS 144 N -3.49 2.28 -1.44 1.13 0.00 -0.07 -4.96 118.16 111.61 1ubj n LYS 144 Ca -0.02 -2.05 -0.32 0.00 -0.00 0.00 0.00 58.31 55.91 1ubj n LYS 144 Cb 0.15 -1.46 0.08 0.00 -0.00 0.00 0.00 35.03 33.80 1ubj n LYS 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ubj s ALA 145 N -1.59 2.28 -0.47 0.58 0.00 -1.00 -4.96 121.76 116.60 1ubj s ALA 145 Ca 0.32 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 1ubj s ALA 145 Cb 0.20 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1ubj s ALA 145 CO 0.29 -1.64 0.75 0.34 0.00 0.00 0.00 175.76 175.49 1ubj s ASP 146 N -2.91 6.35 0.47 0.00 -1.08 -1.26 -4.97 116.67 113.28 1ubj s ASP 146 Ca 0.65 -0.32 0.22 0.00 -0.52 0.00 0.00 52.55 52.58 1ubj s ASP 146 Cb -0.20 -2.36 1.19 0.00 -1.46 0.00 0.00 42.92 40.09 1ubj s ASP 146 CO 0.49 -0.92 1.99 1.55 0.52 0.00 0.00 175.17 178.80 1ubj h PRO 147 N 9.00 0.00 -0.20 4.34 0.13 -1.94 -0.45 132.00 142.88 1ubj h PRO 147 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 1ubj h PRO 147 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ubj h PRO 147 CO 0.96 0.19 -0.15 0.00 -0.23 0.00 0.00 178.00 178.76 1ubj h ALA 148 N 1.81 0.29 -0.66 -0.56 0.00 -1.93 0.40 119.26 118.62 1ubj h ALA 148 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1ubj h ALA 148 Cb 0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ubj h ALA 148 CO 0.02 0.18 0.11 -0.22 0.00 0.00 0.00 179.25 179.34 1ubj h LYS 149 N 0.15 1.09 -0.65 0.00 3.64 -1.89 -2.17 116.57 116.74 1ubj h LYS 149 Ca 0.04 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1ubj h LYS 149 Cb 0.68 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1ubj h LYS 149 CO 0.04 1.00 0.38 0.00 -2.27 0.00 0.00 179.45 178.60 1ubj h ALA 150 N 1.04 0.83 -0.78 5.00 0.00 -0.95 -0.98 119.26 123.42 1ubj h ALA 150 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ubj h ALA 150 Cb 0.44 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ubj h ALA 150 CO 0.01 0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.92 1ubj h ALA 151 N 1.19 1.01 -0.37 0.00 0.00 -0.64 -0.43 119.26 120.02 1ubj h ALA 151 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ubj h ALA 151 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1ubj h ALA 151 CO -0.04 0.62 0.22 0.87 0.00 0.00 0.00 179.25 180.92 1ubj h LYS 152 N 1.13 0.51 -0.44 0.00 1.57 -0.87 0.11 116.57 118.57 1ubj h LYS 152 Ca 0.26 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1ubj h LYS 152 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1ubj h LYS 152 CO -0.03 0.40 0.29 0.28 -0.57 0.00 0.00 179.45 179.82 1ubj h VAL 153 N 0.49 1.11 -0.52 0.50 2.07 -0.79 -1.70 116.25 117.40 1ubj h VAL 153 Ca 0.13 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1ubj h VAL 153 Cb 0.02 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1ubj h VAL 153 CO -0.02 0.11 0.13 0.00 0.02 0.00 0.00 177.57 177.80 1ubj h ALA 154 N 1.17 1.25 0.00 1.67 0.00 -0.85 -1.99 119.26 120.51 1ubj h ALA 154 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ubj h ALA 154 Cb -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ubj h ALA 154 CO -0.04 0.52 0.00 0.77 0.00 0.00 0.00 179.25 180.50 1ubj h SER 155 N 0.77 0.00 1.24 0.00 0.02 -0.38 -3.11 113.55 112.09 1ubj h SER 155 Ca 0.17 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1ubj h SER 155 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1ubj h SER 155 CO -0.00 0.00 -0.65 0.77 -1.14 0.00 0.00 176.83 175.81 1ubj h SER 156 N 0.00 0.00 -0.02 3.07 4.64 -0.55 -3.33 113.55 117.37 1ubj h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubj h SER 156 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1ubj h SER 156 CO 0.00 0.65 -0.47 2.30 -0.87 0.00 0.00 176.83 178.44 1ubj n ILE 157 N -3.32 0.00 -3.95 0.95 -5.35 -1.12 -4.96 119.36 101.62 1ubj n ILE 157 Ca 0.01 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.13 1ubj n ILE 157 Cb 0.77 1.26 -0.11 0.00 -1.74 0.00 0.00 39.64 39.83 1ubj n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ubj s SER 158 N -2.46 0.17 0.43 7.28 0.15 -1.21 -4.74 113.70 113.31 1ubj s SER 158 Ca 0.19 -0.38 0.29 0.00 0.70 0.00 0.00 55.95 56.75 1ubj s SER 158 Cb 0.18 0.12 1.15 0.00 -1.71 0.00 0.00 66.02 65.76 1ubj s SER 158 CO 0.57 -0.28 1.86 1.55 1.20 0.00 0.00 173.24 178.13 1ubj h PRO 159 N 4.73 0.00 -6.39 5.44 0.13 -1.85 -3.43 132.00 130.63 1ubj h PRO 159 Ca -0.31 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 1ubj h PRO 159 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ubj h PRO 159 CO 0.42 0.00 0.90 0.50 -0.23 0.00 0.00 178.00 179.58 1ubj s ARG 160 N -3.49 4.25 -0.09 0.86 3.52 -1.26 -4.99 118.95 117.75 1ubj s ARG 160 Ca 0.03 2.08 -0.30 0.00 -0.13 0.00 0.00 55.73 57.41 1ubj s ARG 160 Cb 0.09 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1ubj s ARG 160 CO 0.50 -0.64 1.12 0.15 -0.81 0.00 0.00 175.30 175.62 1ubj s LYS 161 N 2.57 4.37 -0.10 5.12 3.01 -1.26 -4.55 119.74 128.90 1ubj s LYS 161 Ca 0.67 1.55 0.02 0.00 -1.01 0.00 0.00 55.97 57.21 1ubj s LYS 161 Cb -0.34 -3.56 -0.01 0.00 -1.01 0.00 0.00 37.83 32.91 1ubj s LYS 161 CO 0.28 -0.41 -0.18 0.99 0.51 0.00 0.00 175.35 176.54 1ubj s THR 162 N 2.22 2.66 0.36 2.17 2.01 -1.26 -5.05 115.64 118.76 1ubj s THR 162 Ca 0.52 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.78 1ubj s THR 162 Cb -0.22 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1ubj s THR 162 CO 0.19 0.55 0.38 0.42 -0.69 0.00 0.00 174.62 175.48 1ubj s THR 163 N 0.08 3.39 0.24 -0.82 -4.23 -1.26 -4.63 115.64 108.41 1ubj s THR 163 Ca -0.08 -1.24 -0.05 0.00 -1.18 0.00 0.00 61.69 59.14 1ubj s THR 163 Cb -0.15 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.72 1ubj s THR 163 CO 0.05 -0.11 1.80 0.00 -0.54 0.00 0.00 174.62 175.82 1ubj h ALA 164 N 1.05 1.11 -0.50 3.99 0.00 -1.87 -2.25 119.26 120.79 1ubj h ALA 164 Ca -0.44 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ubj h ALA 164 Cb 1.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1ubj h ALA 164 CO 0.55 0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.98 1ubj h ALA 165 N 1.45 1.32 -0.29 0.00 0.00 -1.95 0.61 119.26 120.41 1ubj h ALA 165 Ca 0.38 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1ubj h ALA 165 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ubj h ALA 165 CO -0.26 0.49 0.08 -0.44 0.00 0.00 0.00 179.25 179.12 1ubj h ASP 166 N 0.72 0.06 1.19 0.00 3.32 -1.82 -1.54 116.42 118.36 1ubj h ASP 166 Ca 0.17 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 1ubj h ASP 166 Cb 0.23 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1ubj h ASP 166 CO -0.01 0.07 -0.66 -0.07 -1.72 0.00 0.00 179.24 176.85 1ubj h LEU 167 N 0.20 0.00 -0.75 1.55 3.38 -1.07 -3.07 115.31 115.54 1ubj h LEU 167 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1ubj h LEU 167 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1ubj h LEU 167 CO -0.15 0.66 -0.05 0.50 0.09 0.00 0.00 178.44 179.48 1ubj h LYS 168 N 0.00 0.89 -0.87 1.13 3.64 -0.66 -1.44 116.57 119.27 1ubj h LYS 168 Ca -0.01 -0.28 0.07 0.00 -1.27 0.00 0.00 60.65 59.16 1ubj h LYS 168 Cb 1.43 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 1ubj h LYS 168 CO 0.09 0.92 0.53 0.00 -2.27 0.00 0.00 179.45 178.72 1ubj h ALA 169 N 1.12 1.20 -0.17 5.00 0.00 -1.19 0.28 119.26 125.50 1ubj h ALA 169 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ubj h ALA 169 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ubj h ALA 169 CO 0.03 0.26 0.03 0.28 0.00 0.00 0.00 179.25 179.86 1ubj h VAL 170 N 0.96 1.21 -0.51 0.00 2.07 -1.42 -1.92 116.25 116.64 1ubj h VAL 170 Ca 0.39 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1ubj h VAL 170 Cb 0.21 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1ubj h VAL 170 CO -0.19 0.21 0.31 -0.61 0.02 0.00 0.00 177.57 177.31 1ubj h GLN 171 N 0.07 0.59 -0.53 1.57 4.15 -0.57 0.29 115.11 120.70 1ubj h GLN 171 Ca 0.05 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.48 1ubj h GLN 171 Cb 0.29 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 1ubj h GLN 171 CO 0.00 0.39 0.27 -0.44 -1.93 0.00 0.00 178.83 177.13 1ubj h ASP 172 N 0.61 0.40 -0.46 -0.69 3.45 -0.41 0.24 116.42 119.55 1ubj h ASP 172 Ca 0.20 0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.61 1ubj h ASP 172 Cb 0.01 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 1ubj h ASP 172 CO -0.09 0.27 -0.01 0.50 -1.57 0.00 0.00 179.24 178.34 1ubj h LYS 173 N 0.53 0.83 -0.36 3.56 1.63 -0.68 -2.49 116.57 119.58 1ubj h LYS 173 Ca 0.23 -0.27 -0.11 0.00 -0.85 0.00 0.00 60.65 59.66 1ubj h LYS 173 Cb 0.13 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1ubj h LYS 173 CO -0.16 0.88 -0.21 1.25 -3.45 0.00 0.00 179.45 177.77 1ubj h LEU 174 N 0.68 0.71 -0.25 5.20 6.46 -0.50 -2.25 115.31 125.35 1ubj h LEU 174 Ca 0.13 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1ubj h LEU 174 Cb 0.52 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1ubj h LEU 174 CO 0.03 0.91 0.16 0.50 -0.62 0.00 0.00 178.44 179.41 1ubj h LYS 175 N 0.62 0.33 -0.63 1.25 3.64 -0.29 0.16 116.57 121.65 1ubj h LYS 175 Ca 0.09 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1ubj h LYS 175 Cb 0.69 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1ubj h LYS 175 CO 0.05 0.24 0.41 1.15 -2.27 0.00 0.00 179.45 179.03 1ubj h THR 176 N 0.32 1.13 0.09 1.00 2.02 -1.36 0.17 112.91 116.29 1ubj h THR 176 Ca 0.09 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1ubj h THR 176 Cb -0.01 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1ubj h THR 176 CO -0.02 0.15 -0.07 0.15 0.37 0.00 0.00 175.52 176.10 1ubj h PHE 177 N 0.83 -0.18 -0.34 3.16 3.04 -0.89 -2.81 116.94 119.75 1ubj h PHE 177 Ca 0.24 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.14 1ubj h PHE 177 Cb -0.06 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 1ubj h PHE 177 CO -0.04 -0.11 0.03 0.28 -2.02 0.00 0.00 178.31 176.46 1ubj h VAL 178 N -0.17 1.25 0.00 1.41 2.07 -0.42 -2.60 116.25 117.79 1ubj h VAL 178 Ca -0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1ubj h VAL 178 Cb 0.15 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ubj h VAL 178 CO -0.00 0.29 0.00 -0.62 0.02 0.00 0.00 177.57 177.26 1ubj n GLU 179 N -4.56 0.27 0.06 1.57 1.02 0.57 -1.18 120.64 118.38 1ubj n GLU 179 Ca -0.02 0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.34 1ubj n GLU 179 Cb 0.24 -1.50 0.43 0.00 -0.02 0.00 0.00 31.44 30.59 1ubj n GLU 179 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ubj n THR 180 N -1.25 0.76 -0.25 2.62 -2.24 -0.98 -4.87 114.28 108.07 1ubj n THR 180 Ca 0.09 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1ubj n THR 180 Cb 0.13 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1ubj n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubj n GLY 181 N 0.35 2.18 3.34 3.38 0.00 -0.33 -4.95 105.19 109.16 1ubj n GLY 181 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1ubj n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubj s GLN 182 N -0.03 3.79 0.17 1.61 -0.21 -1.26 -4.88 119.66 118.85 1ubj s GLN 182 Ca 0.00 -2.66 0.22 0.00 0.02 0.00 0.00 55.36 52.94 1ubj s GLN 182 Cb 0.00 -4.51 0.88 0.00 1.00 0.00 0.00 33.01 30.39 1ubj s GLN 182 CO 0.00 -1.31 1.67 1.28 -2.12 0.00 0.00 175.29 174.81 1ubj n LEU 183 N 3.76 0.47 0.00 2.90 4.32 -1.26 -4.84 117.00 122.35 1ubj n LEU 183 Ca 0.18 0.60 0.00 0.00 -0.02 0.00 0.00 56.01 56.77 1ubj n LEU 183 Cb 0.45 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1ubj n LEU 183 CO 0.39 -0.39 0.00 0.61 -1.22 0.00 0.00 177.39 176.77 1ubj n GLY 184 N 0.28 3.31 0.00 -0.72 0.00 -1.26 -0.81 105.19 105.98 1ubj n GLY 184 Ca 0.03 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.26 1ubj n GLY 184 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ubj n PRO 185 N 14.00 0.01 -0.08 1.61 -0.02 -1.26 -1.06 135.00 148.20 1ubj n PRO 185 Ca 0.00 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1ubj n PRO 185 Cb 0.00 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.13 1ubj n PRO 185 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ubj n PHE 186 N -1.48 0.20 -1.67 6.00 3.72 0.01 -4.90 117.46 119.35 1ubj n PHE 186 Ca 0.01 -0.10 -0.47 0.00 -0.05 0.00 0.00 57.45 56.84 1ubj n PHE 186 Cb 0.06 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 1ubj n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ubj n THR 187 N 1.40 0.20 -1.84 4.37 -1.04 -0.22 -1.52 114.28 115.63 1ubj n THR 187 Ca 0.16 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.05 61.93 1ubj n THR 187 Cb 0.60 -1.67 -0.07 0.00 -1.82 0.00 0.00 70.33 67.38 1ubj n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ubj n ASN 188 N 4.55 -5.62 -4.61 8.00 5.03 -1.26 -4.94 115.26 116.41 1ubj n ASN 188 Ca 0.19 0.35 -0.39 0.00 0.87 0.00 0.00 54.58 55.60 1ubj n ASN 188 Cb 0.29 -4.86 0.03 0.00 -1.02 0.00 0.00 39.78 34.23 1ubj n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ubj n ALA 189 N 0.36 0.16 0.28 5.41 0.00 -0.57 -4.86 120.51 121.29 1ubj n ALA 189 Ca -0.22 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.47 1ubj n ALA 189 Cb 0.68 -2.09 0.85 0.00 0.00 0.00 0.00 19.45 18.89 1ubj n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ubj h TYR 190 N 0.99 0.00 0.00 0.00 0.99 -1.91 -1.79 116.97 115.24 1ubj h TYR 190 Ca -0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1ubj h TYR 190 Cb 1.35 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.08 1ubj h TYR 190 CO 0.40 0.05 -0.20 1.97 -0.00 0.00 0.00 178.16 180.37 1ubj n PHE 191 N -3.76 0.16 -1.75 4.88 1.16 -1.26 -4.67 117.46 112.22 1ubj n PHE 191 Ca -0.03 0.05 -0.42 0.00 -1.87 0.00 0.00 57.45 55.18 1ubj n PHE 191 Cb 0.14 -0.49 -0.03 0.00 -1.61 0.00 0.00 39.48 37.49 1ubj n PHE 191 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1ubj s LEU 192 N -3.29 4.38 0.00 5.98 1.43 -0.68 -0.58 118.68 125.91 1ubj s LEU 192 Ca 0.12 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1ubj s LEU 192 Cb 0.17 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1ubj s LEU 192 CO 0.61 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.83 1ubj n GLY 193 N 4.03 0.67 0.00 -3.19 0.00 -1.26 -4.81 105.19 100.63 1ubj n GLY 193 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ubj n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubj n GLY 194 N -2.66 0.18 3.58 -0.02 0.00 0.25 -5.10 105.19 101.41 1ubj n GLY 194 Ca 0.00 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.32 1ubj n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubj s HIS 195 N -2.90 -0.98 0.55 1.61 5.04 -1.26 -4.83 115.29 112.52 1ubj s HIS 195 Ca 0.00 1.99 0.36 0.00 -1.54 0.00 0.00 55.06 55.87 1ubj s HIS 195 Cb 0.00 0.56 2.00 0.00 0.04 0.00 0.00 32.58 35.18 1ubj s HIS 195 CO 0.00 -0.49 2.26 -1.00 -2.34 0.00 0.00 174.74 173.16 1ubj h PRO 196 N 6.92 0.00 -0.05 2.88 0.13 -1.98 -1.99 132.00 137.91 1ubj h PRO 196 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ubj h PRO 196 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ubj h PRO 196 CO 0.18 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 177.97 1ubj n ALA 197 N -2.19 2.54 -2.62 -0.56 0.00 -1.26 -4.78 120.51 111.64 1ubj n ALA 197 Ca -0.02 -0.52 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 1ubj n ALA 197 Cb 0.12 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 1ubj n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ubj s TYR 198 N -1.96 3.28 -0.29 0.00 1.51 -0.75 -4.99 117.35 114.15 1ubj s TYR 198 Ca 0.35 0.49 0.09 0.00 -1.01 0.00 0.00 57.07 56.99 1ubj s TYR 198 Cb 0.20 -2.58 -0.11 0.00 -0.11 0.00 0.00 41.96 39.36 1ubj s TYR 198 CO 0.32 -0.19 0.32 0.66 -1.11 0.00 0.00 175.55 175.56 1ubj n TYR 199 N 5.16 0.00 -2.37 2.71 4.01 -1.26 -4.84 117.16 120.57 1ubj n TYR 199 Ca -0.08 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.31 1ubj n TYR 199 Cb 0.51 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.45 1ubj n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ubj s LEU 200 N -2.81 3.89 0.76 7.72 1.02 -1.26 -5.02 118.68 122.99 1ubj s LEU 200 Ca 0.01 2.13 -0.12 0.00 0.02 0.00 0.00 54.13 56.18 1ubj s LEU 200 Cb 0.06 -4.44 0.05 0.00 0.02 0.00 0.00 46.19 41.89 1ubj s LEU 200 CO 0.37 -0.94 1.12 1.51 0.02 0.00 0.00 176.35 178.44 1ubj s ASP 201 N -1.69 4.89 0.28 2.29 1.47 -1.26 -4.84 116.67 117.81 1ubj s ASP 201 Ca 0.67 1.04 -0.01 0.00 1.18 0.00 0.00 52.55 55.43 1ubj s ASP 201 Cb -0.23 -1.72 0.47 0.00 -0.34 0.00 0.00 42.92 41.09 1ubj s ASP 201 CO 0.27 -1.69 1.87 -0.65 0.68 0.00 0.00 175.17 175.66 1ubj h PRO 202 N -0.90 1.08 -0.36 2.11 0.11 -1.94 -1.59 132.00 130.51 1ubj h PRO 202 Ca -0.46 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1ubj h PRO 202 Cb 1.28 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1ubj h PRO 202 CO 0.64 0.71 0.07 0.93 -0.21 0.00 0.00 178.00 180.14 1ubj h GLU 203 N 1.11 0.58 -0.44 1.05 3.07 -1.90 0.51 114.58 118.56 1ubj h GLU 203 Ca 0.45 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 59.09 1ubj h GLU 203 Cb 0.27 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1ubj h GLU 203 CO -0.20 0.64 -0.01 1.15 -1.40 0.00 0.00 179.01 179.19 1ubj h THR 204 N 0.43 1.23 -0.90 1.13 2.02 -1.85 -0.78 112.91 114.19 1ubj h THR 204 Ca 0.11 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.34 1ubj h THR 204 Cb 0.33 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1ubj h THR 204 CO 0.00 0.34 0.59 0.78 0.37 0.00 0.00 175.52 177.60 1ubj h ASN 205 N 0.68 1.01 -0.38 4.18 -0.26 -0.95 -1.07 115.58 118.79 1ubj h ASN 205 Ca 0.13 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 1ubj h ASN 205 Cb 0.44 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1ubj h ASN 205 CO 0.02 0.72 0.03 0.25 -1.06 0.00 0.00 177.43 177.39 1ubj h LEU 206 N 1.19 0.62 -0.24 1.61 5.85 -0.25 -0.59 115.31 123.50 1ubj h LEU 206 Ca 0.34 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ubj h LEU 206 Cb -0.09 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1ubj h LEU 206 CO -0.09 0.75 0.15 0.40 -0.34 0.00 0.00 178.44 179.31 1ubj h ILE 207 N 0.47 1.05 -0.72 4.05 2.04 -1.00 -0.50 117.51 122.90 1ubj h ILE 207 Ca 0.11 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1ubj h ILE 207 Cb 0.41 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1ubj h ILE 207 CO 0.01 0.06 0.29 0.00 0.00 0.00 0.00 178.15 178.51 1ubj h ALA 208 N 1.10 1.15 -0.32 1.87 0.00 -1.12 -1.58 119.26 120.35 1ubj h ALA 208 Ca 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ubj h ALA 208 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ubj h ALA 208 CO -0.03 0.61 -0.05 1.15 0.00 0.00 0.00 179.25 180.93 1ubj h THR 209 N 1.04 1.27 -0.55 0.00 2.02 -0.89 0.43 112.91 116.24 1ubj h THR 209 Ca 0.24 -1.07 0.08 0.00 0.77 0.00 0.00 66.41 66.44 1ubj h THR 209 Cb 0.20 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 1ubj h THR 209 CO -0.02 0.35 0.18 0.00 0.37 0.00 0.00 175.52 176.40 1ubj h ALA 210 N 0.82 0.68 -0.01 6.16 0.00 -0.86 -1.36 119.26 124.69 1ubj h ALA 210 Ca 0.09 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1ubj h ALA 210 Cb 0.53 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ubj h ALA 210 CO 0.03 -0.23 -0.67 0.45 0.00 0.00 0.00 179.25 178.82 1ubj h HIS 211 N 0.35 0.04 -0.07 0.00 3.86 -1.03 -0.16 115.15 118.14 1ubj h HIS 211 Ca 0.27 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1ubj h HIS 211 Cb 0.33 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 1ubj h HIS 211 CO -0.18 0.69 -0.04 -0.92 0.86 0.00 0.00 177.93 178.35 1ubj h TYR 212 N 0.02 -0.09 -0.24 2.45 3.20 -0.38 0.22 116.97 122.14 1ubj h TYR 212 Ca -0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1ubj h TYR 212 Cb 1.19 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1ubj h TYR 212 CO 0.00 -0.06 0.05 -0.07 -1.64 0.00 0.00 178.16 176.44 1ubj h LEU 213 N -0.04 0.38 -0.79 2.82 4.07 -1.00 -2.28 115.31 118.46 1ubj h LEU 213 Ca 0.04 -0.24 0.08 0.00 0.08 0.00 0.00 57.88 57.84 1ubj h LEU 213 Cb 0.10 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1ubj h LEU 213 CO -0.09 0.52 0.46 -0.08 -1.08 0.00 0.00 178.44 178.16 1ubj h GLU 214 N 0.22 0.78 0.00 1.13 4.81 -0.74 -1.41 114.58 119.36 1ubj h GLU 214 Ca 0.08 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1ubj h GLU 214 Cb 0.29 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ubj h GLU 214 CO 0.00 0.52 -0.09 0.00 -0.73 0.00 0.00 179.01 178.71 1ubj h ALA 215 N 1.42 1.62 -0.57 2.92 0.00 -0.23 -0.43 119.26 123.98 1ubj h ALA 215 Ca 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ubj h ALA 215 Cb 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ubj h ALA 215 CO -0.21 0.11 0.29 -0.07 0.00 0.00 0.00 179.25 179.37 1ubj h LEU 216 N 0.00 0.71 0.06 0.00 3.38 -0.69 -0.38 115.31 118.40 1ubj h LEU 216 Ca -0.00 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 1ubj h LEU 216 Cb 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ubj h LEU 216 CO 0.01 0.60 -1.58 0.03 0.09 0.00 0.00 178.44 177.59 1ubj h ARG 217 N 0.80 0.13 -0.39 1.13 3.08 -1.31 -3.36 114.38 114.46 1ubj h ARG 217 Ca 0.20 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1ubj h ARG 217 Cb 0.06 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1ubj h ARG 217 CO -0.03 0.89 0.01 1.25 -1.07 0.00 0.00 179.97 181.02 1ubj h LEU 218 N 0.04 0.58 -2.16 3.04 5.85 -0.83 -1.95 115.31 119.87 1ubj h LEU 218 Ca -0.25 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1ubj h LEU 218 Cb 1.98 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1ubj h LEU 218 CO 0.12 0.65 -0.07 0.06 -0.34 0.00 0.00 178.44 178.86 1ubj h GLN 219 N 0.59 0.00 -0.72 1.25 -0.00 -1.21 -0.18 115.11 114.84 1ubj h GLN 219 Ca 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.80 1ubj h GLN 219 Cb 0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.80 1ubj h GLN 219 CO 0.01 0.07 0.46 0.28 -0.00 0.00 0.00 178.83 179.65 1ubj h VAL 220 N 0.00 1.12 -0.36 1.86 2.07 -1.50 0.02 116.25 119.47 1ubj h VAL 220 Ca -0.00 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 1ubj h VAL 220 Cb 0.20 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1ubj h VAL 220 CO 0.01 0.17 -0.38 0.11 0.02 0.00 0.00 177.57 177.49 1ubj h LYS 221 N 0.91 0.89 -0.87 1.57 1.57 -1.13 -0.13 116.57 119.38 1ubj h LYS 221 Ca 0.28 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ubj h LYS 221 Cb -0.02 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1ubj h LYS 221 CO -0.09 1.13 0.56 0.00 -0.57 0.00 0.00 179.45 180.47 1ubj h ALA 222 N 0.75 1.11 -0.28 3.86 0.00 -1.18 -1.42 119.26 122.10 1ubj h ALA 222 Ca 0.05 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1ubj h ALA 222 Cb 0.98 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ubj h ALA 222 CO 0.09 0.54 -0.57 0.00 0.00 0.00 0.00 179.25 179.31 1ubj h ALA 223 N 1.31 0.45 -0.80 0.00 0.00 -0.91 -2.99 119.26 116.32 1ubj h ALA 223 Ca 0.32 -0.52 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1ubj h ALA 223 Cb -0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1ubj h ALA 223 CO -0.07 0.68 0.52 -0.09 0.00 0.00 0.00 179.25 180.30 1ubj h ARG 224 N 0.67 0.61 -0.89 0.00 2.43 -0.60 -0.75 114.38 115.85 1ubj h ARG 224 Ca 0.01 -0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.27 1ubj h ARG 224 Cb 1.19 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.53 1ubj h ARG 224 CO 0.13 0.40 0.57 0.00 -1.51 0.00 0.00 179.97 179.56 1ubj h ALA 225 N 1.62 1.77 -0.15 2.80 0.00 -1.11 0.46 119.26 124.64 1ubj h ALA 225 Ca 0.38 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1ubj h ALA 225 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ubj h ALA 225 CO -0.15 0.01 -0.34 0.52 0.00 0.00 0.00 179.25 179.30 1ubj h MET 226 N 0.75 0.30 0.00 0.00 2.86 -1.24 -3.14 114.93 114.45 1ubj h MET 226 Ca 0.43 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1ubj h MET 226 Cb 0.61 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1ubj h MET 226 CO -0.20 0.60 -0.04 0.00 1.06 0.00 0.00 176.91 178.34 1ubj h ALA 227 N 1.39 0.98 -0.46 6.32 0.00 -0.85 0.16 119.26 126.81 1ubj h ALA 227 Ca 0.03 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1ubj h ALA 227 Cb 0.72 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1ubj h ALA 227 CO 0.05 0.05 -0.05 0.28 0.00 0.00 0.00 179.25 179.58 1ubj h VAL 228 N 0.00 0.60 0.00 0.00 2.07 -1.38 -2.02 116.25 115.52 1ubj h VAL 228 Ca -0.00 -0.02 -0.31 0.00 0.82 0.00 0.00 66.70 67.19 1ubj h VAL 228 Cb 0.94 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1ubj h VAL 228 CO 0.00 0.01 -2.09 0.49 0.02 0.00 0.00 177.57 176.01 1ubj n PHE 229 N -5.27 0.37 -0.50 1.57 3.72 -1.23 -4.70 117.46 111.42 1ubj n PHE 229 Ca 0.04 0.13 0.09 0.00 -0.05 0.00 0.00 57.45 57.66 1ubj n PHE 229 Cb 0.25 -1.03 0.29 0.00 -0.94 0.00 0.00 39.48 38.04 1ubj n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubj n GLY 230 N 1.64 2.87 3.37 1.37 0.00 0.56 -4.78 105.19 110.22 1ubj n GLY 230 Ca -0.25 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1ubj n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubj n ALA 231 N 0.87 0.00 -3.57 4.61 0.00 -0.77 -0.50 120.51 121.15 1ubj n ALA 231 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 1ubj n ALA 231 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 1ubj n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ubj s LYS 232 N 0.00 0.54 -0.02 0.00 -2.85 -1.26 -4.88 119.74 111.28 1ubj s LYS 232 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 1ubj s LYS 232 Cb 0.00 0.25 0.02 0.00 -2.06 0.00 0.00 37.83 36.04 1ubj s LYS 232 CO 0.00 -0.21 0.00 1.21 0.10 0.00 0.00 175.35 176.46 1ubj s ASN 233 N -1.74 0.26 0.72 0.03 3.04 -1.26 -3.37 114.94 112.60 1ubj s ASN 233 Ca 0.04 -0.01 -0.11 0.00 0.04 0.00 0.00 52.86 52.82 1ubj s ASN 233 Cb -0.01 -0.12 0.02 0.00 -1.54 0.00 0.00 41.25 39.60 1ubj s ASN 233 CO -0.04 -0.08 1.07 -2.84 -3.04 0.00 0.00 177.10 172.17 1ubj s PRO 234 N 0.76 2.77 -0.13 0.43 0.02 -1.26 -5.00 135.00 132.58 1ubj s PRO 234 Ca -0.07 0.89 -0.04 0.00 0.02 0.00 0.00 61.00 61.79 1ubj s PRO 234 Cb -0.10 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1ubj s PRO 234 CO -0.02 -1.20 0.15 0.72 -0.33 0.00 0.00 177.00 176.33 1ubj n HIS 235 N -3.19 -1.20 -0.84 6.54 8.25 -1.26 -5.03 115.22 118.50 1ubj n HIS 235 Ca 0.07 0.50 -0.29 0.00 -0.26 0.00 0.00 57.72 57.74 1ubj n HIS 235 Cb 0.54 -2.36 0.19 0.00 1.12 0.00 0.00 29.99 29.49 1ubj n HIS 235 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ubj s THR 236 N -1.30 2.24 -0.45 1.59 -4.23 -1.22 -4.70 115.64 107.56 1ubj s THR 236 Ca 0.06 0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1ubj s THR 236 Cb -0.02 -2.30 0.25 0.00 1.34 0.00 0.00 72.50 71.77 1ubj s THR 236 CO 0.26 -0.10 0.79 1.67 -0.54 0.00 0.00 174.62 176.70 1ubj n GLN 237 N -4.40 0.78 0.00 3.99 7.27 0.34 -4.89 117.38 120.48 1ubj n GLN 237 Ca 0.06 -2.25 0.00 0.00 0.07 0.00 0.00 57.00 54.88 1ubj n GLN 237 Cb 0.54 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.83 1ubj n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1ubj n PHE 238 N 1.43 0.00 -3.63 3.69 1.16 -1.26 -4.66 117.46 114.19 1ubj n PHE 238 Ca 0.13 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.37 1ubj n PHE 238 Cb 0.61 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.43 1ubj n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ubj s THR 239 N 0.00 5.14 0.05 1.97 -4.23 -1.26 -1.14 115.64 116.17 1ubj s THR 239 Ca 0.00 0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1ubj s THR 239 Cb 0.00 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1ubj s THR 239 CO 0.00 0.24 0.03 0.68 -0.54 0.00 0.00 174.62 175.03 1ubj s VAL 240 N -1.44 0.18 0.18 2.29 -7.23 -0.93 -4.90 120.40 108.54 1ubj s VAL 240 Ca 0.34 -1.46 -0.33 0.00 -1.81 0.00 0.00 61.98 58.72 1ubj s VAL 240 Cb -0.13 -1.20 -0.14 0.00 0.56 0.00 0.00 36.38 35.46 1ubj s VAL 240 CO 0.19 -0.80 1.42 0.52 -0.31 0.00 0.00 175.10 176.12 1ubj n VAL 241 N 0.42 0.46 0.00 1.32 0.31 -1.26 -1.77 118.33 117.81 1ubj n VAL 241 Ca -0.16 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1ubj n VAL 241 Cb 0.60 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 1ubj n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubj n GLY 242 N 2.63 2.09 0.00 2.92 0.00 -1.26 -4.85 105.19 106.72 1ubj n GLY 242 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ubj n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubj n GLY 243 N -2.00 -0.31 3.19 -0.02 0.00 -0.73 -0.91 105.19 104.41 1ubj n GLY 243 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 1ubj n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubj s VAL 244 N 0.00 0.16 -0.46 1.61 -7.23 -0.69 -2.20 120.40 111.59 1ubj s VAL 244 Ca 0.00 -1.95 0.15 0.00 -1.81 0.00 0.00 61.98 58.37 1ubj s VAL 244 Cb 0.00 -2.23 -0.19 0.00 0.56 0.00 0.00 36.38 34.52 1ubj s VAL 244 CO 0.00 -0.29 0.53 0.35 -0.31 0.00 0.00 175.10 175.37 1ubj n THR 245 N -0.19 0.00 -2.72 5.32 -2.24 -0.29 -4.25 114.28 109.91 1ubj n THR 245 Ca -0.03 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1ubj n THR 245 Cb 0.65 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1ubj n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubj h TYR 247 N 6.98 0.00 0.00 0.00 -1.99 -1.96 0.13 116.97 120.13 1ubj h TYR 247 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1ubj h TYR 247 Cb 0.83 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.56 1ubj h TYR 247 CO 1.21 0.00 0.00 0.22 -0.00 0.00 0.00 178.16 179.59 1ubj h ASP 248 N 0.00 0.00 0.54 3.88 -0.00 -1.98 -1.44 116.42 117.42 1ubj h ASP 248 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 1ubj h ASP 248 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.04 1ubj h ASP 248 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 1ubj n ALA 249 N -1.93 1.67 0.80 -0.78 0.00 0.46 -1.71 120.51 119.02 1ubj n ALA 249 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1ubj n ALA 249 Cb 0.19 -1.26 0.35 0.00 0.00 0.00 0.00 19.45 18.73 1ubj n ALA 249 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ubj n LEU 250 N -1.62 0.50 -4.81 0.00 4.77 -0.54 -4.57 117.00 110.72 1ubj n LEU 250 Ca 0.03 0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 55.99 1ubj n LEU 250 Cb 0.18 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 1ubj n LEU 250 CO 0.15 -0.02 0.66 0.42 -1.33 0.00 0.00 177.39 177.26 1ubj s THR 251 N -3.07 4.31 0.41 -5.08 -4.23 -0.70 -4.94 115.64 102.35 1ubj s THR 251 Ca 0.10 1.49 0.08 0.00 -1.18 0.00 0.00 61.69 62.18 1ubj s THR 251 Cb 0.16 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.64 1ubj s THR 251 CO 0.64 -0.26 2.04 -0.65 -0.54 0.00 0.00 174.62 175.86 1ubj h PRO 252 N 2.02 0.53 -0.09 3.99 0.11 -1.91 -1.87 132.00 134.78 1ubj h PRO 252 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ubj h PRO 252 Cb 1.19 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ubj h PRO 252 CO 0.61 0.35 0.04 1.96 -0.21 0.00 0.00 178.00 180.75 1ubj h GLN 253 N 0.54 0.13 -0.32 1.05 7.50 -1.92 0.40 115.11 122.49 1ubj h GLN 253 Ca 0.18 -0.02 -0.13 0.00 0.50 0.00 0.00 58.65 59.18 1ubj h GLN 253 Cb 0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 1ubj h GLN 253 CO -0.04 0.20 -0.33 0.00 -1.50 0.00 0.00 178.83 177.16 1ubj h ARG 254 N 0.02 0.71 -0.48 1.46 2.47 -1.74 -1.21 114.38 115.62 1ubj h ARG 254 Ca 0.03 -0.34 -0.06 0.00 -1.26 0.00 0.00 59.98 58.35 1ubj h ARG 254 Cb 0.12 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 1ubj h ARG 254 CO -0.00 0.95 0.03 0.82 0.56 0.00 0.00 179.97 182.33 1ubj h ILE 255 N 0.60 1.23 -0.27 2.04 2.04 -1.17 -0.90 117.51 121.09 1ubj h ILE 255 Ca 0.06 -0.93 -0.12 0.00 1.00 0.00 0.00 64.86 64.88 1ubj h ILE 255 Cb 0.86 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1ubj h ILE 255 CO 0.07 0.33 -0.33 0.00 0.00 0.00 0.00 178.15 178.22 1ubj h ALA 256 N 1.31 0.92 -0.09 1.87 0.00 -0.54 -0.10 119.26 122.63 1ubj h ALA 256 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1ubj h ALA 256 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ubj h ALA 256 CO 0.01 0.62 -0.05 1.49 0.00 0.00 0.00 179.25 181.33 1ubj h GLU 257 N 0.49 0.19 -0.44 0.00 4.81 -0.63 -1.00 114.58 118.01 1ubj h GLU 257 Ca 0.06 -0.09 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1ubj h GLU 257 Cb 0.81 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.10 1ubj h GLU 257 CO 0.07 0.56 -0.13 0.35 -0.73 0.00 0.00 179.01 179.12 1ubj h PHE 258 N -0.17 -0.30 -0.74 0.92 3.04 -1.11 -2.40 116.94 116.17 1ubj h PHE 258 Ca 0.02 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 1ubj h PHE 258 Cb 0.50 0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.18 1ubj h PHE 258 CO 0.07 -0.22 0.28 1.49 -2.02 0.00 0.00 178.31 177.91 1ubj h GLU 259 N -0.03 1.10 -0.33 1.11 4.81 -0.73 -0.43 114.58 120.08 1ubj h GLU 259 Ca 0.21 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1ubj h GLU 259 Cb 0.36 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ubj h GLU 259 CO -0.47 0.90 -0.26 0.00 -0.73 0.00 0.00 179.01 178.46 1ubj h ALA 260 N 1.23 0.94 -0.20 2.92 0.00 -0.94 0.57 119.26 123.78 1ubj h ALA 260 Ca 0.25 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1ubj h ALA 260 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ubj h ALA 260 CO -0.02 0.61 -0.30 -0.07 0.00 0.00 0.00 179.25 179.48 1ubj h LEU 261 N 0.57 0.61 -0.15 0.00 3.38 -0.93 -2.44 115.31 116.35 1ubj h LEU 261 Ca 0.08 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1ubj h LEU 261 Cb 0.74 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1ubj h LEU 261 CO 0.06 1.01 -0.04 -0.25 0.09 0.00 0.00 178.44 179.31 1ubj h TRP 262 N 0.23 -0.08 -0.70 1.13 7.01 -1.01 0.05 115.95 122.58 1ubj h TRP 262 Ca 0.02 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.09 1ubj h TRP 262 Cb 0.88 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.94 1ubj h TRP 262 CO 0.09 -0.06 0.41 0.87 -2.79 0.00 0.00 178.44 176.96 1ubj h LYS 263 N 0.00 0.75 -0.33 2.65 1.57 -0.81 0.18 116.57 120.59 1ubj h LYS 263 Ca 0.07 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1ubj h LYS 263 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1ubj h LYS 263 CO -0.16 0.50 -0.30 1.49 -0.57 0.00 0.00 179.45 180.41 1ubj h GLU 264 N 0.77 0.69 -0.25 3.15 4.81 -1.26 -1.33 114.58 121.17 1ubj h GLU 264 Ca 0.31 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1ubj h GLU 264 Cb 0.14 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1ubj h GLU 264 CO -0.16 0.91 -0.03 1.15 -0.73 0.00 0.00 179.01 180.14 1ubj h THR 265 N 0.59 1.27 -0.99 0.32 2.02 0.04 -1.97 112.91 114.20 1ubj h THR 265 Ca 0.07 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.27 1ubj h THR 265 Cb 0.80 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1ubj h THR 265 CO 0.07 0.31 0.65 0.50 0.37 0.00 0.00 175.52 177.43 1ubj h LYS 266 N 0.23 1.27 -0.87 6.66 3.64 -0.62 -0.52 116.57 126.36 1ubj h LYS 266 Ca 0.07 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1ubj h LYS 266 Cb 0.48 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1ubj h LYS 266 CO 0.02 0.84 0.47 0.00 -2.27 0.00 0.00 179.45 178.51 1ubj h ALA 267 N 1.40 1.18 -0.42 5.00 0.00 -1.02 0.21 119.26 125.60 1ubj h ALA 267 Ca 0.37 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1ubj h ALA 267 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 1ubj h ALA 267 CO -0.09 0.65 0.00 0.35 0.00 0.00 0.00 179.25 180.17 1ubj h PHE 268 N 1.23 0.81 -0.36 0.00 3.04 -0.69 0.16 116.94 121.13 1ubj h PHE 268 Ca 0.31 -0.14 0.05 0.00 3.98 0.00 0.00 57.97 62.17 1ubj h PHE 268 Cb 0.04 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.29 1ubj h PHE 268 CO 0.01 0.80 0.07 0.28 -2.02 0.00 0.00 178.31 177.45 1ubj h VAL 269 N 0.58 0.82 -0.08 1.41 2.07 -0.67 0.10 116.25 120.48 1ubj h VAL 269 Ca 0.12 -0.06 -0.18 0.00 0.82 0.00 0.00 66.70 67.39 1ubj h VAL 269 Cb 0.48 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1ubj h VAL 269 CO 0.02 0.03 -0.73 0.44 0.02 0.00 0.00 177.57 177.35 1ubj h ASP 270 N 0.19 0.48 0.00 0.57 3.45 -0.62 -1.24 116.42 119.25 1ubj h ASP 270 Ca 0.17 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.31 1ubj h ASP 270 Cb 0.20 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1ubj h ASP 270 CO -0.23 1.06 -1.54 -0.62 -1.57 0.00 0.00 179.24 176.34 1ubj n GLU 271 N -3.84 0.75 0.06 3.56 1.02 0.53 -4.50 120.64 118.23 1ubj n GLU 271 Ca -0.04 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1ubj n GLU 271 Cb 0.71 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1ubj n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ubj n VAL 272 N -1.93 0.77 0.29 2.62 0.31 -0.09 -4.73 118.33 115.56 1ubj n VAL 272 Ca -0.02 0.25 -0.16 0.00 -0.01 0.00 0.00 64.34 64.41 1ubj n VAL 272 Cb 0.39 -1.31 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 1ubj n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1ubj h TYR 273 N 0.00 -0.66 -0.44 3.52 3.20 -1.21 -2.33 116.97 119.05 1ubj h TYR 273 Ca 0.00 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1ubj h TYR 273 Cb 0.14 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1ubj h TYR 273 CO 0.00 -0.36 0.11 0.82 -1.64 0.00 0.00 178.16 177.09 1ubj h ILE 274 N -0.85 1.23 -0.77 1.81 1.08 -1.47 0.36 117.51 118.91 1ubj h ILE 274 Ca -0.07 -0.80 0.08 0.00 -0.39 0.00 0.00 64.86 63.67 1ubj h ILE 274 Cb 0.60 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 1ubj h ILE 274 CO 0.12 0.28 0.50 -0.65 -0.69 0.00 0.00 178.15 177.72 1ubj h PRO 275 N 0.58 0.75 -0.35 2.37 0.11 -1.79 -0.17 132.00 133.50 1ubj h PRO 275 Ca 0.14 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.07 1ubj h PRO 275 Cb 0.32 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1ubj h PRO 275 CO 0.00 0.50 -0.32 -0.44 -0.21 0.00 0.00 178.00 177.53 1ubj h ASP 276 N 0.77 0.88 -0.58 -2.05 5.19 -0.82 -0.72 116.42 119.09 1ubj h ASP 276 Ca 0.34 -0.46 0.05 0.00 -0.62 0.00 0.00 57.03 56.34 1ubj h ASP 276 Cb 0.32 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.53 1ubj h ASP 276 CO -0.12 1.16 0.31 0.25 -3.12 0.00 0.00 179.24 177.72 1ubj h LEU 277 N 0.62 0.45 -0.51 1.55 5.85 -0.26 -0.10 115.31 122.90 1ubj h LEU 277 Ca 0.06 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 1ubj h LEU 277 Cb 0.90 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1ubj h LEU 277 CO 0.08 0.30 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.09 1ubj h LEU 278 N 0.58 0.92 -0.56 2.25 3.38 -0.80 0.29 115.31 121.38 1ubj h LEU 278 Ca 0.26 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1ubj h LEU 278 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1ubj h LEU 278 CO -0.17 1.16 0.28 0.58 0.09 0.00 0.00 178.44 180.37 1ubj h VAL 279 N 0.74 1.20 -0.29 1.22 2.07 -0.67 -0.23 116.25 120.29 1ubj h VAL 279 Ca 0.08 -0.55 -0.18 0.00 0.82 0.00 0.00 66.70 66.87 1ubj h VAL 279 Cb 0.88 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1ubj h VAL 279 CO 0.08 0.22 -0.53 0.58 0.02 0.00 0.00 177.57 177.94 1ubj h VAL 280 N 0.75 1.28 -0.70 2.57 2.07 -0.86 -2.30 116.25 119.06 1ubj h VAL 280 Ca 0.19 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1ubj h VAL 280 Cb 0.10 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1ubj h VAL 280 CO -0.03 0.56 0.37 0.00 0.02 0.00 0.00 177.57 178.49 1ubj h ALA 281 N 0.73 1.34 -0.34 1.67 0.00 -0.77 -1.67 119.26 120.22 1ubj h ALA 281 Ca 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1ubj h ALA 281 Cb 1.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1ubj h ALA 281 CO 0.12 0.53 -0.12 0.00 0.00 0.00 0.00 179.25 179.78 1ubj h ALA 282 N 1.43 1.16 0.00 0.00 0.00 -0.83 -2.61 119.26 118.42 1ubj h ALA 282 Ca 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ubj h ALA 282 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ubj h ALA 282 CO -0.04 0.53 -0.18 0.00 0.00 0.00 0.00 179.25 179.56 1ubj h ALA 283 N 1.34 0.90 -0.87 0.00 0.00 -0.80 -3.27 119.26 116.56 1ubj h ALA 283 Ca 0.10 -0.16 -0.60 0.00 0.00 0.00 0.00 54.91 54.24 1ubj h ALA 283 Cb 0.53 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 17.91 1ubj h ALA 283 CO 0.03 0.22 -0.18 0.66 0.00 0.00 0.00 179.25 179.98 1ubj n TYR 284 N -3.17 2.95 0.27 0.00 4.02 -0.70 -4.82 117.16 115.71 1ubj n TYR 284 Ca 0.03 -2.54 0.10 0.00 -0.01 0.00 0.00 57.90 55.48 1ubj n TYR 284 Cb 0.56 -0.74 0.47 0.00 -0.02 0.00 0.00 39.34 39.61 1ubj n TYR 284 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1ubj n LYS 285 N -0.77 0.14 0.30 -0.72 4.81 -1.05 -0.58 118.16 120.29 1ubj n LYS 285 Ca 0.51 0.51 0.19 0.00 -0.87 0.00 0.00 58.31 58.65 1ubj n LYS 285 Cb 0.84 -1.84 0.87 0.00 0.02 0.00 0.00 35.03 34.92 1ubj n LYS 285 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1ubj h ASP 286 N 0.00 0.00 0.00 3.14 -0.00 -1.88 -2.59 116.42 115.09 1ubj h ASP 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ubj h ASP 286 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.50 1ubj h ASP 286 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 180.03 1ubj n TRP 287 N -3.08 0.00 1.23 4.15 7.02 0.25 -1.48 117.44 125.53 1ubj n TRP 287 Ca -0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.60 1ubj n TRP 287 Cb 0.22 0.00 0.65 0.00 -2.42 0.00 0.00 31.31 29.77 1ubj n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ubj n THR 288 N -0.82 0.16 1.01 -0.99 -2.24 -0.98 -2.27 114.28 108.16 1ubj n THR 288 Ca 0.12 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 1ubj n THR 288 Cb 0.06 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 1ubj n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubj n GLN 289 N -1.29 0.45 -4.31 -0.78 1.13 -0.55 -4.70 117.38 107.34 1ubj n GLN 289 Ca 0.12 -0.37 -0.22 0.00 -1.94 0.00 0.00 57.00 54.60 1ubj n GLN 289 Cb 0.21 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 28.95 1ubj n GLN 289 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ubj s TYR 290 N -2.80 1.75 0.00 1.08 2.02 -1.24 -4.88 117.35 113.28 1ubj s TYR 290 Ca 0.12 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1ubj s TYR 290 Cb 0.17 -0.90 0.00 0.00 -0.40 0.00 0.00 41.96 40.83 1ubj s TYR 290 CO 0.75 0.27 0.00 0.41 -1.57 0.00 0.00 175.55 175.41 1ubj n GLY 291 N 0.55 0.50 3.82 0.71 0.00 -1.18 -0.11 105.19 109.47 1ubj n GLY 291 Ca -0.15 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1ubj n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubj s GLY 292 N -2.87 1.75 0.20 -0.02 0.00 -1.25 -3.71 107.32 101.42 1ubj s GLY 292 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.84 1ubj s GLY 292 CO 0.00 0.42 0.08 -0.51 0.00 0.00 0.00 173.10 173.10 1ubj s THR 293 N -2.95 0.28 -0.25 0.90 -4.23 -1.26 -4.11 115.64 104.02 1ubj s THR 293 Ca 0.59 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1ubj s THR 293 Cb -0.14 -2.37 -0.17 0.00 1.34 0.00 0.00 72.50 71.16 1ubj s THR 293 CO 0.51 -0.18 -0.21 0.47 -0.54 0.00 0.00 174.62 174.67 1ubj n ASP 294 N -0.28 1.93 -4.24 3.99 8.00 -1.26 -4.86 116.55 119.83 1ubj n ASP 294 Ca -0.02 -0.13 -0.24 0.00 0.71 0.00 0.00 54.79 55.12 1ubj n ASP 294 Cb 0.65 -0.33 -0.13 0.00 -0.02 0.00 0.00 41.12 41.28 1ubj n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ubj s ASN 295 N -6.42 2.33 -0.01 -2.24 0.01 -1.26 -0.67 114.94 106.67 1ubj s ASN 295 Ca -0.33 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.25 1ubj s ASN 295 Cb 0.09 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.60 1ubj s ASN 295 CO 0.60 0.09 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.88 1ubj s PHE 296 N -0.97 0.43 0.02 2.20 0.40 -0.10 -0.66 117.98 119.30 1ubj s PHE 296 Ca 0.06 -0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1ubj s PHE 296 Cb -0.09 -0.33 -0.02 0.00 0.51 0.00 0.00 43.02 43.09 1ubj s PHE 296 CO 0.03 -0.05 -0.08 -1.50 0.70 0.00 0.00 175.22 174.32 1ubj s ILE 297 N 0.19 0.62 -0.04 0.64 2.07 -0.40 -0.50 121.20 123.78 1ubj s ILE 297 Ca -0.02 -0.72 -0.16 0.00 -1.41 0.00 0.00 60.65 58.34 1ubj s ILE 297 Cb -0.05 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 41.97 1ubj s ILE 297 CO -0.00 -0.10 0.35 0.28 -1.91 0.00 0.00 174.94 173.56 1ubj s THR 298 N -0.77 0.04 -1.29 4.00 -1.32 -0.66 -4.40 115.64 111.24 1ubj s THR 298 Ca -0.03 -0.35 0.16 0.00 -1.21 0.00 0.00 61.69 60.26 1ubj s THR 298 Cb -0.06 -0.63 -0.05 0.00 -1.51 0.00 0.00 72.50 70.25 1ubj s THR 298 CO 0.00 -0.19 0.81 0.49 -2.21 0.00 0.00 174.62 173.52 1ubj n PHE 299 N 1.53 0.00 0.00 9.09 0.99 -1.26 -1.67 117.46 126.14 1ubj n PHE 299 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 1ubj n PHE 299 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.04 1ubj n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ubj n GLY 300 N 1.21 -2.29 3.47 1.37 0.00 -1.26 -3.92 105.19 103.77 1ubj n GLY 300 Ca 0.06 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 1ubj n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ubj s GLU 301 N -3.26 1.13 -0.06 1.61 2.56 -0.25 -3.46 118.70 116.97 1ubj s GLU 301 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.97 54.92 1ubj s GLU 301 Cb 0.00 0.53 -0.00 0.00 2.00 0.00 0.00 34.13 36.66 1ubj s GLU 301 CO 0.00 -0.41 0.06 1.19 -0.56 0.00 0.00 175.26 175.54 1ubj n PHE 302 N 0.41 -0.25 -2.26 5.30 3.01 -1.26 -2.15 117.46 120.26 1ubj n PHE 302 Ca -0.18 0.10 -0.33 0.00 1.01 0.00 0.00 57.45 58.04 1ubj n PHE 302 Cb 0.60 -1.75 -0.01 0.00 -0.01 0.00 0.00 39.48 38.31 1ubj n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ubj s PRO 303 N -3.00 3.56 -0.06 -1.08 0.04 -1.26 -2.17 135.00 131.03 1ubj s PRO 303 Ca 0.00 1.23 0.14 0.00 0.04 0.00 0.00 61.00 62.41 1ubj s PRO 303 Cb -0.00 -2.07 -0.23 0.00 0.04 0.00 0.00 34.50 32.25 1ubj s PRO 303 CO 0.06 -0.62 0.58 1.63 0.04 0.00 0.00 177.00 178.70 1ubj n LYS 304 N -1.60 0.64 -3.87 4.56 4.76 -1.11 -4.87 118.16 116.66 1ubj n LYS 304 Ca 0.09 0.24 -0.28 0.00 -2.87 0.00 0.00 58.31 55.49 1ubj n LYS 304 Cb 0.53 -1.75 -0.17 0.00 -1.84 0.00 0.00 35.03 31.80 1ubj n LYS 304 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ubj s ASP 305 N -5.95 2.69 0.31 4.39 3.68 -1.26 -5.02 116.67 115.51 1ubj s ASP 305 Ca -0.05 -0.60 0.23 0.00 2.13 0.00 0.00 52.55 54.26 1ubj s ASP 305 Cb 0.08 -0.85 1.13 0.00 -1.45 0.00 0.00 42.92 41.83 1ubj s ASP 305 CO 0.83 -0.19 1.71 -0.33 0.13 0.00 0.00 175.17 177.32 1ubj h GLU 306 N 8.15 0.00 -0.37 4.34 4.39 -1.96 -1.24 114.58 127.89 1ubj h GLU 306 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1ubj h GLU 306 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ubj h GLU 306 CO 0.39 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.90 1ubj n TYR 307 N -2.30 0.48 -3.71 4.33 4.02 -1.26 -4.84 117.16 113.88 1ubj n TYR 307 Ca 0.00 -0.35 -0.29 0.00 -0.01 0.00 0.00 57.90 57.26 1ubj n TYR 307 Cb 0.12 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.27 1ubj n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ubj s ASP 308 N -1.12 3.41 0.56 7.72 3.68 -0.47 -4.97 116.67 125.48 1ubj s ASP 308 Ca 0.30 -1.18 0.25 0.00 2.13 0.00 0.00 52.55 54.05 1ubj s ASP 308 Cb 0.17 -0.67 1.53 0.00 -1.45 0.00 0.00 42.92 42.49 1ubj s ASP 308 CO 0.23 -0.36 2.12 -0.07 0.13 0.00 0.00 175.17 177.22 1ubj h LEU 309 N 8.20 0.00 -0.42 -1.34 3.38 -1.89 -1.69 115.31 121.56 1ubj h LEU 309 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ubj h LEU 309 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1ubj h LEU 309 CO 0.40 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.52 1ubj n ASN 310 N -4.13 0.65 -0.24 -0.43 5.03 -1.26 -2.07 115.26 112.81 1ubj n ASN 310 Ca 0.01 -1.28 0.15 0.00 0.87 0.00 0.00 54.58 54.32 1ubj n ASN 310 Cb 0.27 -0.01 0.65 0.00 -1.02 0.00 0.00 39.78 39.68 1ubj n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ubj n SER 311 N -0.47 0.81 -4.83 6.41 3.41 -0.64 -4.94 113.62 113.38 1ubj n SER 311 Ca 0.20 -1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 57.39 1ubj n SER 311 Cb 0.20 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 1ubj n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ubj s ARG 312 N -2.15 4.12 0.30 4.33 0.52 -0.88 -2.76 118.95 122.44 1ubj s ARG 312 Ca 0.38 0.99 -0.01 0.00 -0.52 0.00 0.00 55.73 56.57 1ubj s ARG 312 Cb 0.21 -2.22 0.49 0.00 0.52 0.00 0.00 34.95 33.94 1ubj s ARG 312 CO 0.39 -0.04 1.93 0.35 0.02 0.00 0.00 175.30 177.95 1ubj h PHE 313 N 1.77 1.06 -3.27 -0.53 3.57 -0.92 -3.36 116.94 115.26 1ubj h PHE 313 Ca -0.48 0.03 -0.64 0.00 3.53 0.00 0.00 57.97 60.41 1ubj h PHE 313 Cb 1.18 -0.35 -0.17 0.00 2.79 0.00 0.00 35.95 39.40 1ubj h PHE 313 CO 0.62 0.60 -0.60 -0.06 -2.23 0.00 0.00 178.31 176.64 1ubj s PHE 314 N -5.92 3.18 0.21 0.41 0.08 -1.07 -4.97 117.98 109.90 1ubj s PHE 314 Ca -0.12 0.01 0.01 0.00 0.12 0.00 0.00 56.93 56.95 1ubj s PHE 314 Cb 0.19 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1ubj s PHE 314 CO 0.80 0.18 0.37 0.15 -0.10 0.00 0.00 175.22 176.62 1ubj s LYS 315 N 0.07 3.48 0.84 0.44 1.02 -1.26 -1.09 119.74 123.25 1ubj s LYS 315 Ca 0.03 -0.49 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 1ubj s LYS 315 Cb -0.13 -2.86 0.10 0.00 -0.52 0.00 0.00 37.83 34.42 1ubj s LYS 315 CO 0.01 0.41 1.09 -1.25 -0.92 0.00 0.00 175.35 174.70 1ubj s PRO 316 N -3.53 1.70 0.00 -1.68 0.04 -1.25 -3.98 135.00 126.29 1ubj s PRO 316 Ca 0.37 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1ubj s PRO 316 Cb -0.10 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ubj s PRO 316 CO 0.30 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1ubj n GLY 317 N -1.24 0.34 2.98 0.56 0.00 -0.67 -4.80 105.19 102.35 1ubj n GLY 317 Ca 0.08 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1ubj n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubj s VAL 318 N -2.00 0.68 -0.03 1.61 1.01 -0.72 -1.66 120.40 119.29 1ubj s VAL 318 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1ubj s VAL 318 Cb 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1ubj s VAL 318 CO 0.00 0.22 -0.07 -0.69 0.00 0.00 0.00 175.10 174.56 1ubj s VAL 319 N 0.23 0.67 -0.10 2.92 1.01 0.35 -1.25 120.40 124.23 1ubj s VAL 319 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1ubj s VAL 319 Cb -0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1ubj s VAL 319 CO 0.00 0.23 -0.07 -0.36 0.00 0.00 0.00 175.10 174.90 1ubj s PHE 320 N 0.41 2.93 -1.44 5.22 0.08 -1.26 -0.92 117.98 122.99 1ubj s PHE 320 Ca -0.06 -0.20 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 1ubj s PHE 320 Cb -0.10 -1.80 0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1ubj s PHE 320 CO 0.00 0.12 1.00 1.63 -0.10 0.00 0.00 175.22 177.87 1ubj n LYS 321 N 2.84 -6.62 -1.83 0.44 4.76 -0.29 -1.57 118.16 115.90 1ubj n LYS 321 Ca -0.18 0.78 -0.16 0.00 -2.87 0.00 0.00 58.31 55.88 1ubj n LYS 321 Cb 0.53 -5.74 -0.04 0.00 -1.84 0.00 0.00 35.03 27.93 1ubj n LYS 321 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ubj n ARG 322 N -4.69 -1.60 -2.80 1.97 1.74 0.15 -4.89 116.66 106.55 1ubj n ARG 322 Ca -0.01 0.87 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 1ubj n ARG 322 Cb 0.56 -5.29 -0.00 0.00 -1.02 0.00 0.00 32.46 26.71 1ubj n ARG 322 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ubj s ASP 323 N -2.22 6.95 0.16 0.55 3.68 -0.61 -4.74 116.67 120.43 1ubj s ASP 323 Ca 0.00 -2.70 0.24 0.00 2.13 0.00 0.00 52.55 52.23 1ubj s ASP 323 Cb 0.00 -2.47 0.92 0.00 -1.45 0.00 0.00 42.92 39.92 1ubj s ASP 323 CO 0.00 -0.94 1.75 0.49 0.13 0.00 0.00 175.17 176.60 1ubj n PHE 324 N 6.81 0.60 0.58 -5.34 3.72 -1.26 -1.81 117.46 120.76 1ubj n PHE 324 Ca 0.40 0.20 0.13 0.00 -0.05 0.00 0.00 57.45 58.13 1ubj n PHE 324 Cb 0.45 -0.82 0.45 0.00 -0.94 0.00 0.00 39.48 38.61 1ubj n PHE 324 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ubj n LYS 325 N -2.01 0.21 -3.20 -1.08 4.01 -1.26 -3.95 118.16 110.89 1ubj n LYS 325 Ca 0.05 0.26 -0.25 0.00 -0.51 0.00 0.00 58.31 57.86 1ubj n LYS 325 Cb 0.32 -1.79 -0.06 0.00 -0.51 0.00 0.00 35.03 33.00 1ubj n LYS 325 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1ubj n ASN 326 N -2.16 2.62 -4.74 4.39 3.02 -0.75 -5.06 115.26 112.57 1ubj n ASN 326 Ca 0.05 -3.26 -0.41 0.00 -0.03 0.00 0.00 54.58 50.92 1ubj n ASN 326 Cb 0.35 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.87 1ubj n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ubj s ILE 327 N -2.73 2.74 0.07 2.41 1.01 -1.25 -4.81 121.20 118.64 1ubj s ILE 327 Ca 0.41 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.68 1ubj s ILE 327 Cb 0.23 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1ubj s ILE 327 CO -0.08 0.10 0.22 -0.54 0.00 0.00 0.00 174.94 174.64 1ubj s LYS 328 N -0.29 3.44 0.51 2.79 -0.14 -0.38 -4.95 119.74 120.72 1ubj s LYS 328 Ca 0.59 -0.46 -0.21 0.00 -1.36 0.00 0.00 55.97 54.54 1ubj s LYS 328 Cb -0.41 -3.03 -0.06 0.00 -1.68 0.00 0.00 37.83 32.65 1ubj s LYS 328 CO 0.42 0.59 1.15 -1.25 -0.76 0.00 0.00 175.35 175.51 1ubj s PRO 329 N -2.62 3.51 -0.33 -1.68 0.05 -1.26 -1.76 135.00 130.91 1ubj s PRO 329 Ca 0.35 1.70 -0.29 0.00 0.05 0.00 0.00 61.00 62.81 1ubj s PRO 329 Cb -0.13 -2.18 0.01 0.00 0.05 0.00 0.00 34.50 32.26 1ubj s PRO 329 CO 0.28 -0.74 1.19 0.12 0.05 0.00 0.00 177.00 177.90 1ubj s PHE 330 N -1.66 2.88 -0.37 0.56 5.36 -1.26 -4.69 117.98 118.80 1ubj s PHE 330 Ca 0.69 0.98 -0.10 0.00 -0.96 0.00 0.00 56.93 57.54 1ubj s PHE 330 Cb -0.26 -3.89 0.03 0.00 -0.34 0.00 0.00 43.02 38.56 1ubj s PHE 330 CO 0.31 -1.29 0.20 0.34 -1.46 0.00 0.00 175.22 173.32 1ubj s ASP 331 N 2.31 5.67 0.23 6.13 3.68 -1.26 -4.97 116.67 128.46 1ubj s ASP 331 Ca 0.51 -1.07 0.20 0.00 2.13 0.00 0.00 52.55 54.32 1ubj s ASP 331 Cb -0.14 -2.00 0.92 0.00 -1.45 0.00 0.00 42.92 40.25 1ubj s ASP 331 CO 0.21 -0.39 1.60 2.29 0.13 0.00 0.00 175.17 179.01 1ubj n LYS 332 N 4.97 0.14 0.00 4.34 2.85 -1.26 -1.55 118.16 127.65 1ubj n LYS 332 Ca -0.12 0.48 0.14 0.00 -1.05 0.00 0.00 58.31 57.76 1ubj n LYS 332 Cb 0.45 -1.83 0.58 0.00 -0.65 0.00 0.00 35.03 33.58 1ubj n LYS 332 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1ubj n MET 333 N -2.10 0.46 -0.24 -1.58 2.81 -1.26 -3.66 117.12 111.55 1ubj n MET 333 Ca 0.01 -0.14 0.08 0.00 -1.81 0.00 0.00 57.70 55.84 1ubj n MET 333 Cb 0.14 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.38 1ubj n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ubj n GLN 334 N -1.15 2.14 -3.14 0.03 1.13 -0.59 -4.85 117.38 110.95 1ubj n GLN 334 Ca 0.12 -1.77 -0.40 0.00 -1.94 0.00 0.00 57.00 53.01 1ubj n GLN 334 Cb 0.29 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 1ubj n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ubj s ILE 335 N -1.37 5.04 -0.01 5.09 1.01 -1.24 -1.56 121.20 128.16 1ubj s ILE 335 Ca 0.34 1.17 0.03 0.00 0.00 0.00 0.00 60.65 62.19 1ubj s ILE 335 Cb 0.18 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1ubj s ILE 335 CO 0.23 0.14 -0.11 -1.61 0.00 0.00 0.00 174.94 173.59 1ubj s GLU 336 N 1.74 0.88 -0.26 2.79 2.02 -0.49 -4.20 118.70 121.17 1ubj s GLU 336 Ca 0.29 -0.39 -0.09 0.00 0.02 0.00 0.00 54.97 54.80 1ubj s GLU 336 Cb -0.16 -0.85 -0.04 0.00 0.10 0.00 0.00 34.13 33.19 1ubj s GLU 336 CO 0.11 0.23 0.13 -1.21 0.02 0.00 0.00 175.26 174.54 1ubj s GLU 337 N -0.25 3.78 0.38 1.61 2.02 0.12 -0.51 118.70 125.84 1ubj s GLU 337 Ca 0.04 -0.42 -0.17 0.00 0.02 0.00 0.00 54.97 54.44 1ubj s GLU 337 Cb -0.04 -3.48 -0.10 0.00 0.10 0.00 0.00 34.13 30.61 1ubj s GLU 337 CO -0.00 -0.19 0.83 -1.01 0.02 0.00 0.00 175.26 174.90 1ubj s HIS 338 N 1.68 3.35 0.00 1.61 3.76 0.10 -1.90 115.29 123.89 1ubj s HIS 338 Ca 0.07 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 1ubj s HIS 338 Cb -0.16 -2.66 0.00 0.00 1.11 0.00 0.00 32.58 30.87 1ubj s HIS 338 CO 0.07 -0.01 0.36 1.33 -0.85 0.00 0.00 174.74 175.63 1ubj n VAL 339 N -0.56 0.07 0.23 -0.90 0.24 -1.26 -0.64 118.33 115.51 1ubj n VAL 339 Ca 0.05 -0.33 0.14 0.00 -2.04 0.00 0.00 64.34 62.15 1ubj n VAL 339 Cb 0.54 1.32 0.78 0.00 -1.47 0.00 0.00 33.84 35.00 1ubj n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ubj h ARG 340 N 0.00 0.00 -0.26 7.34 1.12 -1.75 -0.54 114.38 120.29 1ubj h ARG 340 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ubj h ARG 340 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1ubj h ARG 340 CO 0.00 0.00 0.00 0.72 -3.11 0.00 0.00 179.97 177.58 1ubj n HIS 341 N -4.13 0.78 -4.27 2.20 8.25 -1.26 -4.63 115.22 112.16 1ubj n HIS 341 Ca -0.00 -0.79 -0.24 0.00 -0.26 0.00 0.00 57.72 56.43 1ubj n HIS 341 Cb 0.21 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 1ubj n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ubj s SER 342 N -1.74 4.37 -1.44 0.41 0.01 -0.21 -1.38 113.70 113.72 1ubj s SER 342 Ca 0.37 -0.86 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 1ubj s SER 342 Cb 0.28 -0.64 0.04 0.00 0.21 0.00 0.00 66.02 65.91 1ubj s SER 342 CO 0.10 -0.19 2.60 0.79 0.41 0.00 0.00 173.24 176.96 1ubj n TRP 343 N -0.98 2.53 -4.33 2.43 8.01 -0.47 -4.81 117.44 119.83 1ubj n TRP 343 Ca -0.04 -2.92 -0.17 0.00 -1.31 0.00 0.00 57.50 53.05 1ubj n TRP 343 Cb 0.61 -2.08 -0.10 0.00 -2.01 0.00 0.00 31.31 27.73 1ubj n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1ubj s TYR 344 N 0.06 1.55 0.22 -5.99 1.51 -1.22 -0.32 117.35 113.15 1ubj s TYR 344 Ca 0.60 -0.90 -0.31 0.00 -1.01 0.00 0.00 57.07 55.44 1ubj s TYR 344 Cb 0.18 -0.89 -0.11 0.00 -0.11 0.00 0.00 41.96 41.03 1ubj s TYR 344 CO -0.08 -0.02 1.64 -1.21 -1.11 0.00 0.00 175.55 174.76 1ubj s GLU 345 N -3.85 4.16 2.50 -0.62 2.02 0.07 -4.60 118.70 118.37 1ubj s GLU 345 Ca 0.28 2.52 0.00 0.00 0.02 0.00 0.00 54.97 57.79 1ubj s GLU 345 Cb 0.05 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1ubj s GLU 345 CO 0.08 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1ubj n GLY 346 N 3.44 -0.92 0.00 -1.39 0.00 -1.26 -4.64 105.19 100.41 1ubj n GLY 346 Ca 0.13 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1ubj n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubj n ALA 347 N 3.38 0.93 -2.65 4.61 0.00 -1.26 -4.27 120.51 121.25 1ubj n ALA 347 Ca 0.00 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 1ubj n ALA 347 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ubj n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ubj s GLU 348 N 0.00 4.19 0.56 0.00 2.12 -1.26 -4.31 118.70 120.00 1ubj s GLU 348 Ca 0.00 0.84 -0.19 0.00 0.36 0.00 0.00 54.97 55.98 1ubj s GLU 348 Cb 0.00 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 1ubj s GLU 348 CO 0.00 -0.43 1.13 0.00 -0.54 0.00 0.00 175.26 175.41 1ubj s ALA 349 N 2.55 2.66 -0.01 6.30 0.00 -1.26 -4.48 121.76 127.52 1ubj s ALA 349 Ca 0.33 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1ubj s ALA 349 Cb -0.16 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1ubj s ALA 349 CO 0.09 -0.85 -0.01 1.03 0.00 0.00 0.00 175.76 176.02 1ubj s ARG 350 N -3.42 0.13 0.30 0.00 1.81 -0.80 -4.86 118.95 112.11 1ubj s ARG 350 Ca 0.72 0.00 -0.29 0.00 -1.72 0.00 0.00 55.73 54.44 1ubj s ARG 350 Cb -0.23 -0.21 -0.10 0.00 -0.45 0.00 0.00 34.95 33.96 1ubj s ARG 350 CO 0.29 -0.03 1.35 -1.58 -0.68 0.00 0.00 175.30 174.66 1ubj s HIS 351 N 0.32 3.03 0.61 -0.53 5.65 -1.26 -0.70 115.29 122.42 1ubj s HIS 351 Ca -0.03 1.28 0.39 0.00 0.25 0.00 0.00 55.06 56.95 1ubj s HIS 351 Cb -0.05 -3.73 2.18 0.00 -1.18 0.00 0.00 32.58 29.80 1ubj s HIS 351 CO -0.01 -2.14 2.31 -1.35 -0.65 0.00 0.00 174.74 172.90 1ubj h PRO 352 N 3.99 0.00 0.00 2.88 0.11 -1.95 0.29 132.00 137.31 1ubj h PRO 352 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ubj h PRO 352 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ubj h PRO 352 CO 0.70 0.01 0.00 0.91 -0.21 0.00 0.00 178.00 179.40 1ubj n TRP 353 N -3.33 0.00 -1.90 0.65 8.01 -1.26 -2.20 117.44 117.41 1ubj n TRP 353 Ca -0.03 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.19 1ubj n TRP 353 Cb 0.09 -0.36 0.14 0.00 -2.01 0.00 0.00 31.31 29.18 1ubj n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ubj n LYS 354 N -1.36 1.34 -1.44 -0.99 5.02 0.92 -4.95 118.16 116.71 1ubj n LYS 354 Ca 0.08 -3.05 -0.31 0.00 -2.02 0.00 0.00 58.31 53.02 1ubj n LYS 354 Cb 0.19 -1.26 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 1ubj n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ubj s GLY 355 N -2.97 1.69 -0.02 0.72 0.00 -0.69 -4.63 107.32 101.42 1ubj s GLY 355 Ca 0.38 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.29 1ubj s GLY 355 CO -0.09 0.50 -0.06 1.20 0.00 0.00 0.00 173.10 174.66 1ubj s GLN 356 N -4.95 0.61 -0.42 2.90 -0.21 -1.26 -5.03 119.66 111.29 1ubj s GLN 356 Ca 0.60 -0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.81 1ubj s GLN 356 Cb -0.16 -0.60 0.14 0.00 1.00 0.00 0.00 33.01 33.39 1ubj s GLN 356 CO 0.55 0.07 0.24 0.99 -2.12 0.00 0.00 175.29 175.01 1ubj s THR 357 N 0.20 1.14 -0.53 -0.19 2.01 -1.26 -5.05 115.64 111.97 1ubj s THR 357 Ca -0.02 -2.39 0.04 0.00 0.31 0.00 0.00 61.69 59.62 1ubj s THR 357 Cb -0.06 -1.80 0.14 0.00 0.01 0.00 0.00 72.50 70.78 1ubj s THR 357 CO -0.00 -0.92 0.30 -1.10 -0.69 0.00 0.00 174.62 172.21 1ubj s GLN 358 N 0.48 1.81 0.45 4.92 -0.21 -1.26 -4.88 119.66 120.98 1ubj s GLN 358 Ca 0.18 -2.55 -0.25 0.00 0.02 0.00 0.00 55.36 52.76 1ubj s GLN 358 Cb -0.23 -2.94 -0.08 0.00 1.00 0.00 0.00 33.01 30.75 1ubj s GLN 358 CO 0.00 -1.17 1.41 -2.14 -2.12 0.00 0.00 175.29 171.27 1ubj s PRO 359 N -0.31 3.68 -0.29 2.91 0.02 -1.26 -0.75 135.00 139.00 1ubj s PRO 359 Ca 0.19 2.38 0.04 0.00 0.02 0.00 0.00 61.00 63.64 1ubj s PRO 359 Cb -0.20 -2.64 0.18 0.00 0.02 0.00 0.00 34.50 31.86 1ubj s PRO 359 CO -0.04 -0.81 0.51 0.21 -0.33 0.00 0.00 177.00 176.54 1ubj s LYS 360 N -2.46 0.50 0.12 5.54 2.47 0.56 -4.63 119.74 121.83 1ubj s LYS 360 Ca 0.61 0.38 -0.26 0.00 -1.56 0.00 0.00 55.97 55.14 1ubj s LYS 360 Cb -0.43 0.01 -0.07 0.00 -1.46 0.00 0.00 37.83 35.89 1ubj s LYS 360 CO 0.55 -1.03 0.80 -0.47 0.16 0.00 0.00 175.35 175.36 1ubj s TYR 361 N 2.71 3.84 0.00 4.03 5.04 -1.26 -3.43 117.35 128.27 1ubj s TYR 361 Ca 0.10 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 1ubj s TYR 361 Cb -0.11 -2.83 0.00 0.00 0.35 0.00 0.00 41.96 39.37 1ubj s TYR 361 CO -0.28 0.39 0.57 0.25 -1.34 0.00 0.00 175.55 175.14 1ubj n THR 362 N 2.18 0.32 -0.57 4.34 -2.24 -1.26 -5.10 114.28 111.95 1ubj n THR 362 Ca -0.03 -0.45 0.08 0.00 -2.27 0.00 0.00 64.05 61.37 1ubj n THR 362 Cb 0.49 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 1ubj n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ubj n ASP 363 N -0.16 -3.39 -4.62 3.42 4.64 -1.26 -3.73 116.55 111.44 1ubj n ASP 363 Ca 0.00 0.26 -0.43 0.00 -1.38 0.00 0.00 54.79 53.24 1ubj n ASP 363 Cb 0.24 -1.75 -0.03 0.00 -1.04 0.00 0.00 41.12 38.55 1ubj n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ubj s LEU 364 N -4.39 3.82 -0.25 -2.67 1.43 -1.26 -1.54 118.68 113.82 1ubj s LEU 364 Ca 0.00 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1ubj s LEU 364 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ubj s LEU 364 CO 0.00 -1.41 0.00 1.41 0.23 0.00 0.00 176.35 176.58 1ubj n HIS 365 N 9.13 0.00 -2.10 0.29 8.25 0.14 -4.98 115.22 125.94 1ubj n HIS 365 Ca 0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1ubj n HIS 365 Cb 0.45 -0.96 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 1ubj n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ubj s GLY 366 N -2.30 1.71 -1.28 -1.41 0.00 -0.59 -2.13 107.32 101.32 1ubj s GLY 366 Ca 0.00 0.98 -0.05 0.00 0.00 0.00 0.00 44.72 45.65 1ubj s GLY 366 CO 0.00 2.71 0.32 1.34 0.00 0.00 0.00 173.10 177.47 1ubj n ASP 367 N 5.73 -4.36 -1.60 1.64 4.64 -1.26 -1.74 116.55 119.60 1ubj n ASP 367 Ca 0.15 -0.15 -0.14 0.00 -1.38 0.00 0.00 54.79 53.26 1ubj n ASP 367 Cb 0.43 -3.62 -0.01 0.00 -1.04 0.00 0.00 41.12 36.88 1ubj n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1ubj n ASP 368 N -2.16 -4.39 -4.42 1.67 4.64 -0.91 -4.93 116.55 106.05 1ubj n ASP 368 Ca -0.09 0.01 -0.32 0.00 -1.38 0.00 0.00 54.79 53.00 1ubj n ASP 368 Cb 0.59 -3.53 -0.14 0.00 -1.04 0.00 0.00 41.12 37.00 1ubj n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ubj s ARG 369 N -4.62 2.57 0.00 -0.67 0.52 -0.71 -4.45 118.95 111.59 1ubj s ARG 369 Ca 0.00 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1ubj s ARG 369 Cb 0.00 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1ubj s ARG 369 CO 0.00 0.54 0.66 2.48 0.02 0.00 0.00 175.30 179.00 1ubj n TYR 370 N 2.54 0.00 -3.60 -0.53 4.11 -0.48 0.25 117.16 119.45 1ubj n TYR 370 Ca -0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.56 1ubj n TYR 370 Cb 0.52 0.09 -0.07 0.00 -0.00 0.00 0.00 39.34 39.88 1ubj n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1ubj s SER 371 N -0.42 -0.51 0.02 9.48 0.15 -1.24 -4.17 113.70 117.01 1ubj s SER 371 Ca 0.00 0.51 0.28 0.00 0.70 0.00 0.00 55.95 57.44 1ubj s SER 371 Cb 0.00 0.46 1.01 0.00 -1.71 0.00 0.00 66.02 65.78 1ubj s SER 371 CO 0.00 -0.56 1.78 0.79 1.20 0.00 0.00 173.24 176.45 1ubj n TRP 372 N 1.02 0.07 -2.76 3.44 7.02 -0.52 -1.37 117.44 124.35 1ubj n TRP 372 Ca -0.20 0.02 -0.37 0.00 -1.02 0.00 0.00 57.50 55.93 1ubj n TRP 372 Cb 0.57 -0.47 -0.06 0.00 -2.42 0.00 0.00 31.31 28.93 1ubj n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ubj s MET 373 N -3.01 4.60 0.91 -0.99 -1.94 -1.26 -4.80 119.30 112.80 1ubj s MET 373 Ca 0.13 1.37 -0.12 0.00 -1.71 0.00 0.00 55.69 55.36 1ubj s MET 373 Cb 0.18 -2.85 0.13 0.00 2.01 0.00 0.00 34.83 34.30 1ubj s MET 373 CO 0.58 0.29 1.11 0.15 -0.01 0.00 0.00 175.02 177.13 1ubj s LYS 374 N -1.96 1.18 -0.48 2.03 1.02 -1.26 -4.41 119.74 115.85 1ubj s LYS 374 Ca 0.49 0.55 0.03 0.00 0.02 0.00 0.00 55.97 57.06 1ubj s LYS 374 Cb -0.20 -1.82 0.13 0.00 -0.52 0.00 0.00 37.83 35.42 1ubj s LYS 374 CO 0.25 -2.23 0.23 0.00 -0.92 0.00 0.00 175.35 172.68 1ubj s ALA 375 N -3.08 3.24 0.27 5.17 0.00 0.19 -4.23 121.76 123.31 1ubj s ALA 375 Ca 0.63 -3.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.26 1ubj s ALA 375 Cb -0.16 -2.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.66 1ubj s ALA 375 CO 0.56 -1.94 1.18 -2.14 0.00 0.00 0.00 175.76 173.42 1ubj s PRO 376 N 0.13 4.53 0.03 0.00 0.02 -1.26 -0.73 135.00 137.71 1ubj s PRO 376 Ca 0.15 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.15 1ubj s PRO 376 Cb -0.23 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 1ubj s PRO 376 CO -0.03 0.03 -0.12 1.03 -0.33 0.00 0.00 177.00 177.58 1ubj s ARG 377 N -1.24 0.87 -0.24 5.54 1.81 0.33 -4.64 118.95 121.37 1ubj s ARG 377 Ca 0.48 -0.65 -0.03 0.00 -1.72 0.00 0.00 55.73 53.81 1ubj s ARG 377 Cb -0.34 -0.84 0.01 0.00 -0.45 0.00 0.00 34.95 33.32 1ubj s ARG 377 CO 0.43 0.21 -0.04 -0.47 -0.68 0.00 0.00 175.30 174.75 1ubj s TYR 378 N -0.72 3.02 -1.56 -0.53 6.14 -0.58 -1.40 117.35 121.71 1ubj s TYR 378 Ca 0.01 -1.24 -0.16 0.00 0.64 0.00 0.00 57.07 56.32 1ubj s TYR 378 Cb -0.07 -2.10 0.13 0.00 0.42 0.00 0.00 41.96 40.34 1ubj s TYR 378 CO 0.01 -0.64 0.75 -1.33 0.64 0.00 0.00 175.55 174.97 1ubj n MET 379 N 4.74 -3.63 -0.94 4.97 2.81 -0.60 -0.83 117.12 123.64 1ubj n MET 379 Ca -0.17 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1ubj n MET 379 Cb 0.49 -5.19 0.00 0.00 -0.71 0.00 0.00 33.22 27.81 1ubj n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubj n GLY 380 N -1.38 0.92 3.77 3.03 0.00 -1.26 -5.03 105.19 105.24 1ubj n GLY 380 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1ubj n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubj s GLU 381 N -0.10 3.05 0.14 1.61 0.41 -0.01 -4.95 118.70 118.85 1ubj s GLU 381 Ca 0.00 -0.48 -0.30 0.00 -0.41 0.00 0.00 54.97 53.78 1ubj s GLU 381 Cb 0.00 -2.85 -0.07 0.00 -1.78 0.00 0.00 34.13 29.43 1ubj s GLU 381 CO 0.00 0.65 1.17 -1.25 -0.49 0.00 0.00 175.26 175.34 1ubj s PRO 382 N -1.65 4.50 -0.08 0.39 0.04 -1.26 -1.53 135.00 135.41 1ubj s PRO 382 Ca 0.22 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.06 1ubj s PRO 382 Cb -0.12 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.15 1ubj s PRO 382 CO 0.13 -0.09 -0.11 -1.64 0.04 0.00 0.00 177.00 175.32 1ubj s MET 383 N 0.13 1.71 0.26 4.56 -1.94 -1.26 -4.48 119.30 118.27 1ubj s MET 383 Ca 0.54 -0.39 -0.29 0.00 -1.71 0.00 0.00 55.69 53.83 1ubj s MET 383 Cb -0.31 -1.51 -0.09 0.00 2.01 0.00 0.00 34.83 34.93 1ubj s MET 383 CO 0.34 -0.07 1.21 -2.00 -0.01 0.00 0.00 175.02 174.49 1ubj s GLU 384 N 0.99 4.49 0.27 2.03 2.12 0.17 -4.26 118.70 124.51 1ubj s GLU 384 Ca -0.08 1.97 0.03 0.00 0.36 0.00 0.00 54.97 57.24 1ubj s GLU 384 Cb -0.15 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 31.02 1ubj s GLU 384 CO -0.00 -0.03 0.05 -0.08 -0.54 0.00 0.00 175.26 174.65 1ubj s THR 385 N -0.70 0.93 -0.06 -1.70 -1.32 -1.26 -1.28 115.64 110.24 1ubj s THR 385 Ca 0.49 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 1ubj s THR 385 Cb -0.35 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1ubj s THR 385 CO 0.43 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 1ubj n GLY 386 N -0.51 0.27 0.36 6.08 0.00 -1.00 -4.69 105.19 105.70 1ubj n GLY 386 Ca -0.03 -2.31 0.05 0.00 0.00 0.00 0.00 46.02 43.74 1ubj n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubj h PRO 387 N 8.99 0.98 -0.57 1.61 0.11 -1.83 0.14 132.00 141.43 1ubj h PRO 387 Ca 0.00 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 1ubj h PRO 387 Cb 0.00 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 1ubj h PRO 387 CO 0.00 0.65 -0.00 1.25 -0.21 0.00 0.00 178.00 179.69 1ubj h LEU 388 N 1.01 0.96 -0.40 2.35 5.85 -1.86 0.94 115.31 124.17 1ubj h LEU 388 Ca 0.47 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1ubj h LEU 388 Cb 0.39 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1ubj h LEU 388 CO -0.24 1.02 0.04 0.00 -0.34 0.00 0.00 178.44 178.92 1ubj h ALA 389 N 1.08 0.53 -0.42 1.25 0.00 -1.51 -1.57 119.26 118.62 1ubj h ALA 389 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ubj h ALA 389 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ubj h ALA 389 CO 0.03 0.27 0.11 0.37 0.00 0.00 0.00 179.25 180.03 1ubj h GLN 390 N 0.51 0.67 -0.07 0.00 4.15 -0.81 -1.17 115.11 118.39 1ubj h GLN 390 Ca 0.12 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1ubj h GLN 390 Cb 0.42 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 1ubj h GLN 390 CO 0.01 0.68 0.00 0.28 -1.93 0.00 0.00 178.83 177.87 1ubj h VAL 391 N 0.54 1.25 -0.47 2.39 2.07 -0.78 -0.72 116.25 120.52 1ubj h VAL 391 Ca 0.13 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 1ubj h VAL 391 Cb 0.31 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1ubj h VAL 391 CO 0.00 0.21 -0.05 -0.07 0.02 0.00 0.00 177.57 177.68 1ubj h LEU 392 N -0.16 0.87 -0.41 2.57 3.38 -1.25 0.19 115.31 120.50 1ubj h LEU 392 Ca 0.02 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1ubj h LEU 392 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ubj h LEU 392 CO 0.00 0.99 -0.05 0.40 0.09 0.00 0.00 178.44 179.87 1ubj h ILE 393 N 0.72 1.27 -0.27 1.22 2.04 -1.21 -1.54 117.51 119.73 1ubj h ILE 393 Ca 0.13 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1ubj h ILE 393 Cb 0.58 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1ubj h ILE 393 CO 0.03 0.38 0.18 0.00 0.00 0.00 0.00 178.15 178.74 1ubj h ALA 394 N 0.87 0.35 -0.57 1.87 0.00 -0.93 -0.08 119.26 120.77 1ubj h ALA 394 Ca 0.11 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1ubj h ALA 394 Cb 0.56 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1ubj h ALA 394 CO 0.03 -0.17 -0.08 -0.92 0.00 0.00 0.00 179.25 178.11 1ubj h TYR 395 N 0.36 -0.20 0.00 0.00 3.20 -0.47 -1.16 116.97 118.70 1ubj h TYR 395 Ca 0.10 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1ubj h TYR 395 Cb -0.02 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1ubj h TYR 395 CO -0.05 -0.21 0.00 0.77 -1.64 0.00 0.00 178.16 177.03 1ubj h SER 396 N 0.04 0.00 -0.05 -2.11 0.02 -0.53 0.49 113.55 111.42 1ubj h SER 396 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1ubj h SER 396 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1ubj h SER 396 CO -0.55 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.14 1ubj n GLN 397 N -2.64 1.62 -0.70 3.45 6.02 -0.11 -4.93 117.38 120.09 1ubj n GLN 397 Ca 0.02 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 56.10 1ubj n GLN 397 Cb 0.29 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1ubj n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubj n GLY 398 N 1.15 0.59 3.63 1.08 0.00 0.16 -4.98 105.19 106.83 1ubj n GLY 398 Ca 0.19 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 1ubj n GLY 398 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ubj n HIS 399 N -2.70 2.24 0.10 1.61 -0.00 -0.57 -4.85 115.22 111.05 1ubj n HIS 399 Ca 0.00 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.72 57.49 1ubj n HIS 399 Cb 0.00 -2.75 0.22 0.00 -0.00 0.00 0.00 29.99 27.46 1ubj n HIS 399 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ubj h PRO 400 N 12.27 0.23 -0.09 1.57 0.11 -1.93 0.44 132.00 144.59 1ubj h PRO 400 Ca -0.45 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 65.45 1ubj h PRO 400 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ubj h PRO 400 CO 0.95 0.63 -0.31 0.87 -0.21 0.00 0.00 178.00 179.93 1ubj h LYS 401 N 0.19 0.38 -0.72 1.05 1.79 -1.99 -1.58 116.57 115.69 1ubj h LYS 401 Ca 0.01 -0.28 0.01 0.00 -2.18 0.00 0.00 60.65 58.21 1ubj h LYS 401 Cb 0.85 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.51 1ubj h LYS 401 CO 0.07 0.91 0.48 0.28 -1.08 0.00 0.00 179.45 180.10 1ubj h VAL 402 N -0.08 1.18 -0.64 0.50 2.07 -1.93 -1.60 116.25 115.76 1ubj h VAL 402 Ca -0.01 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1ubj h VAL 402 Cb 0.94 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1ubj h VAL 402 CO 0.07 0.18 0.15 0.50 0.02 0.00 0.00 177.57 178.48 1ubj h LYS 403 N 0.98 1.03 -0.42 1.57 3.64 -0.80 -0.45 116.57 122.11 1ubj h LYS 403 Ca 0.27 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1ubj h LYS 403 Cb -0.11 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1ubj h LYS 403 CO -0.06 0.93 0.02 0.00 -2.27 0.00 0.00 179.45 178.07 1ubj h ALA 404 N 1.05 0.56 -0.24 5.00 0.00 -0.92 -0.86 119.26 123.86 1ubj h ALA 404 Ca 0.20 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1ubj h ALA 404 Cb 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ubj h ALA 404 CO 0.00 0.33 -0.24 0.28 0.00 0.00 0.00 179.25 179.63 1ubj h VAL 405 N 0.57 1.32 -0.31 0.00 2.07 -1.22 -2.25 116.25 116.42 1ubj h VAL 405 Ca 0.12 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 1ubj h VAL 405 Cb 0.46 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1ubj h VAL 405 CO 0.02 0.44 0.15 0.74 0.02 0.00 0.00 177.57 178.93 1ubj h THR 406 N 0.29 1.16 -1.00 2.57 2.02 -0.98 -1.11 112.91 115.86 1ubj h THR 406 Ca 0.04 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.78 1ubj h THR 406 Cb 0.79 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 1ubj h THR 406 CO 0.06 0.16 0.66 0.44 0.37 0.00 0.00 175.52 177.22 1ubj h ASP 407 N 0.37 1.14 -0.00 4.18 3.32 -1.18 -0.50 116.42 123.75 1ubj h ASP 407 Ca 0.11 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1ubj h ASP 407 Cb 0.13 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1ubj h ASP 407 CO -0.01 0.82 -0.37 0.00 -1.72 0.00 0.00 179.24 177.95 1ubj h ALA 408 N 1.38 0.94 -0.15 3.45 0.00 -0.96 -0.34 119.26 123.58 1ubj h ALA 408 Ca 0.37 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ubj h ALA 408 Cb -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ubj h ALA 408 CO -0.09 0.62 0.03 0.28 0.00 0.00 0.00 179.25 180.10 1ubj h VAL 409 N 0.42 1.21 -0.52 0.00 2.07 -0.65 0.18 116.25 118.95 1ubj h VAL 409 Ca 0.04 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1ubj h VAL 409 Cb 0.84 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 1ubj h VAL 409 CO 0.07 0.20 0.29 -0.07 0.02 0.00 0.00 177.57 178.07 1ubj h LEU 410 N 0.05 0.44 -0.64 2.57 3.38 -0.95 -1.57 115.31 118.60 1ubj h LEU 410 Ca 0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1ubj h LEU 410 Cb 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1ubj h LEU 410 CO 0.00 0.30 0.09 0.00 0.09 0.00 0.00 178.44 178.92 1ubj h ALA 411 N 1.26 0.85 -0.75 1.53 0.00 -0.98 -1.40 119.26 119.77 1ubj h ALA 411 Ca 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ubj h ALA 411 Cb 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1ubj h ALA 411 CO -0.13 0.62 0.40 -0.22 0.00 0.00 0.00 179.25 179.92 1ubj h LYS 412 N 0.98 1.05 0.00 0.00 1.63 -0.37 -2.78 116.57 117.09 1ubj h LYS 412 Ca 0.19 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1ubj h LYS 412 Cb 0.46 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1ubj h LYS 412 CO 0.02 0.78 -0.16 1.28 -3.45 0.00 0.00 179.45 177.91 1ubj n LEU 413 N -4.35 0.44 -1.03 5.20 4.77 -0.64 -4.92 117.00 116.46 1ubj n LEU 413 Ca 0.08 0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1ubj n LEU 413 Cb 0.11 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1ubj n LEU 413 CO 0.38 -0.05 -0.11 0.61 -1.33 0.00 0.00 177.39 176.90 1ubj n GLY 414 N 1.41 0.01 3.50 -0.72 0.00 -0.56 -5.00 105.19 103.84 1ubj n GLY 414 Ca 0.06 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1ubj n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubj s VAL 415 N -2.46 1.72 0.68 1.61 -7.23 -1.01 -5.06 120.40 108.65 1ubj s VAL 415 Ca 0.01 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 1ubj s VAL 415 Cb -0.00 -2.72 0.08 0.00 0.56 0.00 0.00 36.38 34.29 1ubj s VAL 415 CO 0.01 -0.12 0.95 -0.83 -0.31 0.00 0.00 175.10 174.80 1ubj s GLY 416 N -3.55 1.76 0.56 2.32 0.00 -1.26 -4.64 107.32 102.51 1ubj s GLY 416 Ca 0.33 -1.30 0.27 0.00 0.00 0.00 0.00 44.72 44.03 1ubj s GLY 416 CO 0.15 -0.86 2.20 -0.56 0.00 0.00 0.00 173.10 174.03 1ubj h PRO 417 N -0.43 0.00 0.00 2.90 0.13 -2.01 -1.14 132.00 131.45 1ubj h PRO 417 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1ubj h PRO 417 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ubj h PRO 417 CO 0.51 0.03 -0.04 0.93 -0.23 0.00 0.00 178.00 179.20 1ubj h GLU 418 N 0.00 0.00 0.00 0.86 3.07 -2.01 -1.37 114.58 115.13 1ubj h GLU 418 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1ubj h GLU 418 Cb 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1ubj h GLU 418 CO 0.00 0.04 -0.03 0.00 -1.40 0.00 0.00 179.01 177.62 1ubj h ALA 419 N 1.96 1.11 0.00 3.43 0.00 -1.54 -2.15 119.26 122.08 1ubj h ALA 419 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ubj h ALA 419 Cb 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ubj h ALA 419 CO 0.00 0.04 -0.10 -0.07 0.00 0.00 0.00 179.25 179.12 1ubj h LEU 420 N 0.00 0.00 -5.86 0.00 3.38 -1.42 -3.31 115.31 108.10 1ubj h LEU 420 Ca -0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 1ubj h LEU 420 Cb 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 1ubj h LEU 420 CO 0.00 0.10 2.70 0.49 0.09 0.00 0.00 178.44 181.82 1ubj n PHE 421 N -3.45 2.86 -3.76 1.13 3.72 -0.81 -3.91 117.46 113.24 1ubj n PHE 421 Ca -0.01 -2.89 -0.03 0.00 -0.05 0.00 0.00 57.45 54.46 1ubj n PHE 421 Cb 0.25 -2.14 -0.01 0.00 -0.94 0.00 0.00 39.48 36.64 1ubj n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ubj s SER 422 N 1.42 -0.16 0.20 4.37 1.04 -1.25 -3.76 113.70 115.56 1ubj s SER 422 Ca 0.51 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 1ubj s SER 422 Cb 0.15 0.47 0.21 0.00 0.10 0.00 0.00 66.02 66.95 1ubj s SER 422 CO -0.05 -0.88 1.78 0.74 0.98 0.00 0.00 173.24 175.80 1ubj h THR 423 N 2.00 0.90 -0.57 2.02 2.02 -0.59 0.21 112.91 118.89 1ubj h THR 423 Ca -0.25 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1ubj h THR 423 Cb 1.23 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1ubj h THR 423 CO 0.26 0.09 0.15 0.25 0.37 0.00 0.00 175.52 176.64 1ubj h LEU 424 N 0.51 0.86 -0.74 2.58 6.46 -1.69 -2.03 115.31 121.27 1ubj h LEU 424 Ca 0.27 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1ubj h LEU 424 Cb 0.23 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 1ubj h LEU 424 CO -0.21 0.87 0.47 1.23 -0.62 0.00 0.00 178.44 180.18 1ubj h GLY 425 N 0.82 1.05 1.02 3.75 0.00 -1.44 -0.79 103.07 107.48 1ubj h GLY 425 Ca 0.18 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1ubj h GLY 425 CO 0.00 0.40 0.15 -0.09 0.00 0.00 0.00 176.54 177.00 1ubj h ARG 426 N 1.01 0.95 -0.59 4.80 2.43 -0.86 0.10 114.38 122.22 1ubj h ARG 426 Ca 0.27 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ubj h ARG 426 Cb -0.08 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1ubj h ARG 426 CO -0.06 0.88 0.22 1.15 -1.51 0.00 0.00 179.97 180.65 1ubj h THR 427 N 0.86 1.23 -0.63 0.20 2.02 -0.99 -1.50 112.91 114.11 1ubj h THR 427 Ca 0.19 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1ubj h THR 427 Cb 0.35 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1ubj h THR 427 CO 0.00 0.29 0.26 0.00 0.37 0.00 0.00 175.52 176.44 1ubj h ALA 428 N 1.07 0.81 -0.85 6.16 0.00 -0.83 -2.78 119.26 122.85 1ubj h ALA 428 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ubj h ALA 428 Cb 0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1ubj h ALA 428 CO -0.01 0.42 0.55 0.00 0.00 0.00 0.00 179.25 180.21 1ubj h ALA 429 N 1.10 1.37 -0.94 0.00 0.00 -0.50 0.57 119.26 120.87 1ubj h ALA 429 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ubj h ALA 429 Cb 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1ubj h ALA 429 CO -0.02 0.57 0.57 -0.09 0.00 0.00 0.00 179.25 180.28 1ubj h ARG 430 N 1.15 1.28 -0.19 0.00 2.43 -1.01 -0.61 114.38 117.44 1ubj h ARG 430 Ca 0.31 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1ubj h ARG 430 Cb -0.11 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.16 1ubj h ARG 430 CO -0.06 0.89 0.08 0.78 -1.51 0.00 0.00 179.97 180.15 1ubj h GLY 431 N 1.30 0.30 0.54 2.80 0.00 -1.13 -1.91 103.07 104.96 1ubj h GLY 431 Ca 0.34 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.59 1ubj h GLY 431 CO -0.06 0.15 0.24 -2.22 0.00 0.00 0.00 176.54 174.64 1ubj h ILE 432 N 0.16 0.85 -0.48 2.60 2.04 -0.45 -1.04 117.51 121.19 1ubj h ILE 432 Ca 0.06 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1ubj h ILE 432 Cb 0.15 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1ubj h ILE 432 CO -0.01 0.08 -0.00 -0.08 0.00 0.00 0.00 178.15 178.14 1ubj h GLU 433 N 0.44 0.80 -0.28 2.37 4.81 -1.09 -0.33 114.58 121.30 1ubj h GLU 433 Ca 0.27 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1ubj h GLU 433 Cb 0.27 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ubj h GLU 433 CO -0.24 0.81 0.14 1.15 -0.73 0.00 0.00 179.01 180.14 1ubj h THR 434 N 0.75 1.14 -0.62 0.32 2.02 -0.56 0.94 112.91 116.90 1ubj h THR 434 Ca 0.15 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1ubj h THR 434 Cb 0.46 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1ubj h THR 434 CO 0.02 0.15 0.37 0.00 0.37 0.00 0.00 175.52 176.43 1ubj h ALA 435 N 1.00 0.79 -0.23 6.16 0.00 -0.75 0.67 119.26 126.90 1ubj h ALA 435 Ca 0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1ubj h ALA 435 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ubj h ALA 435 CO -0.01 0.27 -0.20 0.28 0.00 0.00 0.00 179.25 179.58 1ubj h VAL 436 N 0.84 1.32 -0.34 0.00 2.07 -0.83 -2.69 116.25 116.60 1ubj h VAL 436 Ca 0.22 -1.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1ubj h VAL 436 Cb -0.02 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1ubj h VAL 436 CO -0.04 0.42 -0.18 0.40 0.02 0.00 0.00 177.57 178.19 1ubj h ILE 437 N 0.23 1.26 -1.00 4.57 2.04 -0.63 -1.31 117.51 122.67 1ubj h ILE 437 Ca 0.04 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1ubj h ILE 437 Cb 0.75 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1ubj h ILE 437 CO 0.05 0.40 0.65 0.00 0.00 0.00 0.00 178.15 179.25 1ubj h ALA 438 N 1.24 1.36 -0.34 1.87 0.00 -0.75 0.21 119.26 122.85 1ubj h ALA 438 Ca 0.09 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1ubj h ALA 438 Cb 0.63 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ubj h ALA 438 CO 0.04 0.53 -0.46 1.49 0.00 0.00 0.00 179.25 180.86 1ubj h GLU 439 N 1.24 0.90 0.00 0.00 4.81 -1.13 -3.21 114.58 117.19 1ubj h GLU 439 Ca 0.40 -0.51 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 1ubj h GLU 439 Cb 0.04 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1ubj h GLU 439 CO -0.13 1.16 -0.41 -0.92 -0.73 0.00 0.00 179.01 177.98 1ubj h TYR 440 N 0.71 0.00 -0.75 0.92 3.20 -0.16 -1.09 116.97 119.80 1ubj h TYR 440 Ca 0.04 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1ubj h TYR 440 Cb 1.06 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 1ubj h TYR 440 CO 0.07 0.41 0.50 0.28 -1.64 0.00 0.00 178.16 177.77 1ubj h VAL 441 N 0.00 0.86 -0.15 1.81 2.07 -1.00 0.12 116.25 119.95 1ubj h VAL 441 Ca -0.00 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 1ubj h VAL 441 Cb 0.77 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1ubj h VAL 441 CO 0.05 0.10 -0.54 1.23 0.02 0.00 0.00 177.57 178.43 1ubj h GLY 442 N 0.53 0.49 0.74 2.17 0.00 -1.30 0.27 103.07 105.98 1ubj h GLY 442 Ca 0.36 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1ubj h GLY 442 CO -0.13 0.51 -0.02 -2.08 0.00 0.00 0.00 176.54 174.83 1ubj h VAL 443 N 0.35 1.15 -0.99 4.60 2.07 -0.94 -1.49 116.25 121.00 1ubj h VAL 443 Ca 0.01 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.03 1ubj h VAL 443 Cb 1.06 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 1ubj h VAL 443 CO 0.10 0.15 0.63 0.24 0.02 0.00 0.00 177.57 178.70 1ubj h MET 444 N -0.30 1.03 -0.76 1.57 2.86 -0.93 -0.48 114.93 117.92 1ubj h MET 444 Ca -0.00 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1ubj h MET 444 Cb 0.28 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1ubj h MET 444 CO 0.01 0.68 0.35 1.25 1.06 0.00 0.00 176.91 180.26 1ubj h LEU 445 N 1.06 1.01 -0.75 1.22 5.85 -0.75 0.54 115.31 123.50 1ubj h LEU 445 Ca 0.46 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.90 1ubj h LEU 445 Cb 0.32 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1ubj h LEU 445 CO -0.22 0.87 -0.46 -0.61 -0.34 0.00 0.00 178.44 177.69 1ubj h GLN 446 N 1.07 0.39 -0.22 1.25 5.75 -0.59 0.56 115.11 123.33 1ubj h GLN 446 Ca 0.26 -0.21 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 1ubj h GLN 446 Cb 0.15 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1ubj h GLN 446 CO -0.03 0.77 -0.34 0.93 -2.65 0.00 0.00 178.83 177.51 1ubj h GLU 447 N 0.31 0.47 0.22 1.69 5.08 -0.22 0.79 114.58 122.92 1ubj h GLU 447 Ca 0.02 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1ubj h GLU 447 Cb 0.93 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1ubj h GLU 447 CO 0.08 0.75 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.81 1ubj h TYR 448 N 0.40 -0.28 -0.74 4.33 -0.00 -0.53 0.80 116.97 120.95 1ubj h TYR 448 Ca 0.05 -0.01 0.07 0.00 -0.00 0.00 0.00 58.73 58.84 1ubj h TYR 448 Cb 0.79 0.09 -0.06 0.00 -0.00 0.00 0.00 36.73 37.55 1ubj h TYR 448 CO 0.03 -0.10 0.42 0.87 -0.00 0.00 0.00 178.16 179.37 1ubj h LYS 449 N -0.39 0.71 -0.88 1.82 1.57 -0.65 -1.15 116.57 117.61 1ubj h LYS 449 Ca -0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1ubj h LYS 449 Cb 0.30 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1ubj h LYS 449 CO 0.05 0.47 0.48 -0.44 -0.57 0.00 0.00 179.45 179.44 1ubj h ASP 450 N 0.73 1.11 -0.50 0.86 3.45 -0.45 -1.68 116.42 119.94 1ubj h ASP 450 Ca 0.34 -0.10 -0.12 0.00 0.43 0.00 0.00 57.03 57.58 1ubj h ASP 450 Cb 0.26 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1ubj h ASP 450 CO -0.21 0.89 -0.17 -1.13 -1.57 0.00 0.00 179.24 177.05 1ubj h ASN 451 N 1.24 1.01 -0.97 6.45 -0.00 0.31 -2.24 115.58 121.38 1ubj h ASN 451 Ca 0.31 -0.38 0.02 0.00 -0.00 0.00 0.00 56.30 56.25 1ubj h ASN 451 Cb 0.04 -0.28 -0.05 0.00 -0.00 0.00 0.00 38.32 38.03 1ubj h ASN 451 CO -0.05 1.16 0.64 0.40 -0.00 0.00 0.00 177.43 179.58 1ubj h ILE 452 N 0.85 1.22 0.00 2.57 2.04 -0.96 -2.09 117.51 121.14 1ubj h ILE 452 Ca 0.12 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1ubj h ILE 452 Cb 0.74 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ubj h ILE 452 CO 0.06 0.23 -0.07 0.00 0.00 0.00 0.00 178.15 178.37 1ubj h ALA 453 N 1.37 1.10 0.00 1.87 0.00 -0.81 0.15 119.26 122.94 1ubj h ALA 453 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ubj h ALA 453 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ubj h ALA 453 CO -0.09 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1ubj n LYS 454 N -3.32 0.03 -0.08 0.00 5.02 -0.80 -4.89 118.16 114.12 1ubj n LYS 454 Ca -0.01 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1ubj n LYS 454 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1ubj n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubj n GLY 455 N 0.77 0.96 3.54 0.72 0.00 0.04 -5.05 105.19 106.16 1ubj n GLY 455 Ca 0.06 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1ubj n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubj s ASP 456 N -2.03 6.38 -0.16 1.61 2.15 -1.16 -4.85 116.67 118.61 1ubj s ASP 456 Ca 0.00 -0.21 0.17 0.00 0.43 0.00 0.00 52.55 52.94 1ubj s ASP 456 Cb 0.00 -2.45 0.47 0.00 -0.30 0.00 0.00 42.92 40.64 1ubj s ASP 456 CO 0.00 -1.21 1.36 -0.46 -0.17 0.00 0.00 175.17 174.69 1ubj n ASN 457 N 7.47 3.54 -4.80 -0.34 2.04 -1.26 -4.28 115.26 117.63 1ubj n ASN 457 Ca 0.03 -2.97 -0.38 0.00 -0.44 0.00 0.00 54.58 50.82 1ubj n ASN 457 Cb 0.48 -0.50 -0.06 0.00 -2.53 0.00 0.00 39.78 37.17 1ubj n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ubj s VAL 458 N -2.72 4.99 0.00 3.53 1.01 -1.26 -4.97 120.40 120.99 1ubj s VAL 458 Ca 0.39 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1ubj s VAL 458 Cb 0.32 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1ubj s VAL 458 CO 0.08 0.52 0.00 2.30 0.00 0.00 0.00 175.10 178.00 1ubj n ILE 459 N 2.21 0.00 -3.86 2.22 -5.35 -1.26 -4.22 119.36 109.09 1ubj n ILE 459 Ca -0.12 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.12 1ubj n ILE 459 Cb 0.52 0.71 -0.14 0.00 -1.74 0.00 0.00 39.64 38.99 1ubj n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubj s ALA 461 N 0.01 2.96 0.66 0.00 0.00 -0.09 -4.91 121.76 120.39 1ubj s ALA 461 Ca -0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.73 1ubj s ALA 461 Cb -0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1ubj s ALA 461 CO 0.00 0.62 1.06 -1.25 0.00 0.00 0.00 175.76 176.19 1ubj s PRO 462 N -1.66 3.05 0.27 0.00 0.04 -1.26 -4.52 135.00 130.91 1ubj s PRO 462 Ca 0.18 1.09 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 1ubj s PRO 462 Cb -0.11 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1ubj s PRO 462 CO 0.09 -1.02 0.63 1.67 0.04 0.00 0.00 177.00 178.41 1ubj s TRP 463 N -2.76 0.00 0.02 0.56 1.48 -1.26 -4.93 118.94 112.05 1ubj s TRP 463 Ca 0.61 -0.42 0.04 0.00 -1.06 0.00 0.00 56.10 55.26 1ubj s TRP 463 Cb -0.15 0.52 -0.02 0.00 -1.16 0.00 0.00 33.47 32.66 1ubj s TRP 463 CO 0.47 -1.14 -0.11 -1.21 -4.06 0.00 0.00 176.95 170.90 1ubj s GLU 464 N -3.95 0.78 -0.23 3.25 2.02 -1.26 -5.12 118.70 114.19 1ubj s GLU 464 Ca 0.15 -0.58 -0.27 0.00 0.02 0.00 0.00 54.97 54.28 1ubj s GLU 464 Cb -0.04 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.46 1ubj s GLU 464 CO 0.07 0.19 0.95 1.41 0.02 0.00 0.00 175.26 177.89 1ubj s MET 465 N -0.85 4.23 0.49 1.61 -2.45 -1.26 -4.84 119.30 116.23 1ubj s MET 465 Ca 0.00 1.18 -0.19 0.00 -1.25 0.00 0.00 55.69 55.43 1ubj s MET 465 Cb -0.06 -3.64 -0.09 0.00 1.25 0.00 0.00 34.83 32.29 1ubj s MET 465 CO 0.00 -0.57 1.00 -1.25 1.05 0.00 0.00 175.02 175.26 1ubj s PRO 466 N 2.99 3.90 0.22 4.11 0.04 -1.26 -4.96 135.00 140.04 1ubj s PRO 466 Ca 0.40 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.65 1ubj s PRO 466 Cb -0.15 -2.12 0.20 0.00 0.04 0.00 0.00 34.50 32.47 1ubj s PRO 466 CO 0.07 -0.33 1.55 0.87 0.04 0.00 0.00 177.00 179.20 1ubj h LYS 467 N 1.43 0.39 -4.13 4.56 1.79 -1.94 -3.37 116.57 115.30 1ubj h LYS 467 Ca -0.49 -0.25 -0.40 0.00 -2.18 0.00 0.00 60.65 57.34 1ubj h LYS 467 Cb 1.20 0.03 -0.33 0.00 -1.58 0.00 0.00 32.23 31.55 1ubj h LYS 467 CO 0.60 0.85 -0.77 -1.14 -1.08 0.00 0.00 179.45 177.90 1ubj s GLN 468 N -3.90 0.79 0.03 3.15 0.74 -1.26 -0.49 119.66 118.72 1ubj s GLN 468 Ca -0.06 -0.14 -0.28 0.00 0.05 0.00 0.00 55.36 54.93 1ubj s GLN 468 Cb 0.12 -0.79 0.09 0.00 1.10 0.00 0.00 33.01 33.54 1ubj s GLN 468 CO 0.82 -0.03 0.96 0.00 -0.55 0.00 0.00 175.29 176.48 1ubj s ALA 469 N 0.68 -1.81 0.06 1.58 0.00 -0.95 -4.98 121.76 116.34 1ubj s ALA 469 Ca -0.09 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.69 1ubj s ALA 469 Cb -0.12 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1ubj s ALA 469 CO 0.00 -0.82 -0.21 -1.83 0.00 0.00 0.00 175.76 172.91 1ubj s GLU 470 N -3.08 1.29 0.07 0.00 -1.05 -1.26 -0.44 118.70 114.21 1ubj s GLU 470 Ca 0.08 -1.01 -0.06 0.00 -0.15 0.00 0.00 54.97 53.84 1ubj s GLU 470 Cb -0.01 -1.45 -0.01 0.00 -0.44 0.00 0.00 34.13 32.22 1ubj s GLU 470 CO -0.05 0.36 0.11 0.20 0.95 0.00 0.00 175.26 176.83 1ubj s GLY 471 N -1.41 0.22 -0.05 -3.83 0.00 -0.23 -4.38 107.32 97.64 1ubj s GLY 471 Ca 0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 44.72 43.95 1ubj s GLY 471 CO 0.03 -0.93 0.15 0.54 0.00 0.00 0.00 173.10 172.88 1ubj s VAL 472 N -3.64 0.01 -0.06 1.40 0.11 -1.26 -0.83 120.40 116.13 1ubj s VAL 472 Ca 0.04 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1ubj s VAL 472 Cb 0.05 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 1ubj s VAL 472 CO -0.09 -0.05 -0.24 -0.83 -3.33 0.00 0.00 175.10 170.56 1ubj s GLY 473 N -0.09 1.31 -0.11 6.54 0.00 -0.17 -4.30 107.32 110.50 1ubj s GLY 473 Ca -0.02 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1ubj s GLY 473 CO 0.00 -0.61 -0.22 -1.36 0.00 0.00 0.00 173.10 170.91 1ubj s PHE 474 N -0.12 2.48 -0.04 1.90 0.40 -1.26 -1.72 117.98 119.62 1ubj s PHE 474 Ca -0.05 -1.09 0.03 0.00 -0.60 0.00 0.00 56.93 55.23 1ubj s PHE 474 Cb -0.14 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.71 1ubj s PHE 474 CO 0.04 -0.46 -0.14 0.08 0.70 0.00 0.00 175.22 175.44 1ubj s VAL 475 N 0.52 1.16 -0.56 -0.44 1.01 -0.11 -4.96 120.40 117.02 1ubj s VAL 475 Ca -0.15 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 1ubj s VAL 475 Cb -0.17 -1.01 0.09 0.00 0.00 0.00 0.00 36.38 35.29 1ubj s VAL 475 CO 0.05 0.34 0.65 0.21 0.00 0.00 0.00 175.10 176.36 1ubj s ASN 476 N 0.15 6.19 0.77 3.32 3.84 -1.22 0.27 114.94 128.27 1ubj s ASN 476 Ca -0.04 -1.32 -0.10 0.00 0.21 0.00 0.00 52.86 51.61 1ubj s ASN 476 Cb -0.11 -2.29 0.08 0.00 -0.55 0.00 0.00 41.25 38.39 1ubj s ASN 476 CO 0.02 -1.01 1.11 0.00 -2.79 0.00 0.00 177.10 174.42 1ubj s ALA 477 N 2.54 2.87 0.66 1.71 0.00 0.85 -4.87 121.76 125.52 1ubj s ALA 477 Ca 0.11 -0.84 0.35 0.00 0.00 0.00 0.00 51.96 51.59 1ubj s ALA 477 Cb -0.23 -2.76 1.90 0.00 0.00 0.00 0.00 23.12 22.02 1ubj s ALA 477 CO 0.07 -1.56 2.08 -1.35 0.00 0.00 0.00 175.76 175.01 1ubj h PRO 478 N -0.88 0.00 -0.10 0.00 0.11 -1.96 -1.05 132.00 128.11 1ubj h PRO 478 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ubj h PRO 478 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1ubj h PRO 478 CO 0.61 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.94 1ubj n ARG 479 N -3.02 1.61 0.00 1.05 1.74 -1.26 -4.23 116.66 112.55 1ubj n ARG 479 Ca -0.02 -1.66 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 1ubj n ARG 479 Cb 0.28 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1ubj n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubj n GLY 480 N 0.98 0.48 3.62 -0.13 0.00 -0.40 -2.38 105.19 107.37 1ubj n GLY 480 Ca 0.11 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1ubj n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubj s GLY 481 N 0.00 1.37 -0.16 -0.02 0.00 -1.26 -0.11 107.32 107.14 1ubj s GLY 481 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.62 1ubj s GLY 481 CO 0.00 2.52 0.01 -2.27 0.00 0.00 0.00 173.10 173.36 1ubj s LEU 482 N 4.37 3.56 -0.01 0.66 2.96 0.14 -3.32 118.68 127.04 1ubj s LEU 482 Ca 0.53 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 1ubj s LEU 482 Cb -0.14 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1ubj s LEU 482 CO 0.24 0.20 -0.00 -0.94 -1.32 0.00 0.00 176.35 174.53 1ubj s SER 483 N 0.17 0.17 -0.08 3.68 1.04 -0.34 -0.93 113.70 117.41 1ubj s SER 483 Ca 0.02 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.46 1ubj s SER 483 Cb -0.13 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1ubj s SER 483 CO 0.02 -0.03 -0.15 -1.00 0.98 0.00 0.00 173.24 173.06 1ubj s HIS 484 N 0.30 2.71 -0.10 5.02 3.76 -0.70 -0.89 115.29 125.40 1ubj s HIS 484 Ca -0.03 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1ubj s HIS 484 Cb -0.04 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.97 1ubj s HIS 484 CO -0.01 0.03 -0.11 -1.58 -0.85 0.00 0.00 174.74 172.22 1ubj s TRP 485 N -0.34 1.61 0.05 1.40 0.52 0.70 -1.00 118.94 121.88 1ubj s TRP 485 Ca 0.03 -0.72 0.08 0.00 0.02 0.00 0.00 56.10 55.51 1ubj s TRP 485 Cb -0.13 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.94 1ubj s TRP 485 CO 0.02 -0.42 -0.23 -1.50 0.02 0.00 0.00 176.95 174.85 1ubj s ILE 486 N 1.15 1.83 -0.26 2.03 2.07 -0.01 -0.90 121.20 127.10 1ubj s ILE 486 Ca -0.05 -1.29 0.00 0.00 -1.41 0.00 0.00 60.65 57.90 1ubj s ILE 486 Cb -0.14 -1.59 0.04 0.00 0.13 0.00 0.00 42.46 40.91 1ubj s ILE 486 CO -0.02 0.24 -0.07 -0.60 -1.91 0.00 0.00 174.94 172.57 1ubj s ARG 487 N -1.26 2.53 -0.10 3.50 3.52 -0.30 -1.07 118.95 125.77 1ubj s ARG 487 Ca 0.09 -1.18 -0.16 0.00 -0.13 0.00 0.00 55.73 54.36 1ubj s ARG 487 Cb -0.09 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.27 1ubj s ARG 487 CO 0.02 -0.51 0.39 0.42 -0.81 0.00 0.00 175.30 174.81 1ubj s ILE 488 N 1.23 5.20 -0.05 4.11 1.01 0.41 -0.53 121.20 132.58 1ubj s ILE 488 Ca -0.04 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.38 1ubj s ILE 488 Cb -0.18 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1ubj s ILE 488 CO -0.04 0.42 -0.02 -0.70 0.00 0.00 0.00 174.94 174.59 1ubj s GLU 489 N 0.11 0.67 -1.50 2.79 2.56 -0.30 -2.24 118.70 120.80 1ubj s GLU 489 Ca 0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 54.97 55.04 1ubj s GLU 489 Cb -0.15 -0.79 0.09 0.00 2.00 0.00 0.00 34.13 35.28 1ubj s GLU 489 CO 0.09 -0.14 0.80 -3.47 -0.56 0.00 0.00 175.26 171.97 1ubj n ASP 490 N 4.31 -4.44 0.00 -1.70 4.64 -0.33 -1.04 116.55 118.00 1ubj n ASP 490 Ca -0.21 -0.67 0.00 0.00 -1.38 0.00 0.00 54.79 52.53 1ubj n ASP 490 Cb 0.51 -3.58 0.00 0.00 -1.04 0.00 0.00 41.12 37.00 1ubj n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ubj n GLY 491 N -1.50 0.31 3.71 0.27 0.00 0.36 -4.99 105.19 103.35 1ubj n GLY 491 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1ubj n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubj s LYS 492 N -0.88 2.11 -0.46 1.61 -0.14 -0.21 -4.46 119.74 117.31 1ubj s LYS 492 Ca 0.00 -2.10 -0.28 0.00 -1.36 0.00 0.00 55.97 52.22 1ubj s LYS 492 Cb 0.00 -1.74 0.01 0.00 -1.68 0.00 0.00 37.83 34.42 1ubj s LYS 492 CO 0.00 -0.18 1.43 0.42 -0.76 0.00 0.00 175.35 176.26 1ubj s ILE 493 N -2.73 3.85 -0.07 2.17 1.01 0.09 -1.15 121.20 124.37 1ubj s ILE 493 Ca 0.29 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 61.64 1ubj s ILE 493 Cb 0.05 -4.26 -0.30 0.00 0.01 0.00 0.00 42.46 37.97 1ubj s ILE 493 CO 0.16 -0.88 0.63 1.23 0.00 0.00 0.00 174.94 176.07 1ubj h GLY 494 N 12.62 0.40 -5.38 6.18 0.00 -1.07 0.19 103.07 116.01 1ubj h GLY 494 Ca -0.27 -1.03 -0.18 0.00 0.00 0.00 0.00 47.33 45.85 1ubj h GLY 494 CO 1.12 0.90 -0.48 0.21 0.00 0.00 0.00 176.54 178.28 1ubj s ASN 495 N -7.22 -0.20 -0.06 0.19 3.84 -0.85 -4.83 114.94 105.81 1ubj s ASN 495 Ca -0.17 0.39 -0.01 0.00 0.21 0.00 0.00 52.86 53.27 1ubj s ASN 495 Cb 0.05 0.40 0.03 0.00 -0.55 0.00 0.00 41.25 41.18 1ubj s ASN 495 CO 0.83 -0.08 0.02 0.12 -2.79 0.00 0.00 177.10 175.20 1ubj s PHE 496 N 0.07 0.49 -0.07 0.43 2.19 -1.26 -1.14 117.98 118.68 1ubj s PHE 496 Ca -0.00 -0.05 0.03 0.00 0.33 0.00 0.00 56.93 57.24 1ubj s PHE 496 Cb -0.02 -0.69 0.01 0.00 -1.31 0.00 0.00 43.02 41.01 1ubj s PHE 496 CO 0.00 -0.28 -0.17 -0.65 1.83 0.00 0.00 175.22 175.96 1ubj s GLN 497 N 1.94 2.12 -0.16 10.12 -1.52 -0.08 -4.67 119.66 127.41 1ubj s GLN 497 Ca 0.04 -0.59 -0.08 0.00 -1.95 0.00 0.00 55.36 52.78 1ubj s GLN 497 Cb -0.12 -1.70 -0.04 0.00 -0.22 0.00 0.00 33.01 30.92 1ubj s GLN 497 CO -0.04 0.11 0.11 -0.51 -0.25 0.00 0.00 175.29 174.70 1ubj s LEU 498 N 0.46 4.13 -0.23 2.90 1.43 -1.26 -0.22 118.68 125.90 1ubj s LEU 498 Ca -0.14 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1ubj s LEU 498 Cb -0.16 -2.03 0.06 0.00 0.03 0.00 0.00 46.19 44.09 1ubj s LEU 498 CO 0.05 0.27 -0.04 -0.69 0.23 0.00 0.00 176.35 176.18 1ubj s VAL 499 N -0.21 1.35 0.13 -1.59 1.01 -0.07 -5.02 120.40 116.00 1ubj s VAL 499 Ca 0.10 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1ubj s VAL 499 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1ubj s VAL 499 CO 0.01 -0.12 -0.02 -0.69 0.00 0.00 0.00 175.10 174.28 1ubj s VAL 500 N 1.48 3.74 0.22 2.92 1.01 -1.26 -1.20 120.40 127.30 1ubj s VAL 500 Ca -0.05 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1ubj s VAL 500 Cb -0.19 -2.82 0.18 0.00 0.00 0.00 0.00 36.38 33.55 1ubj s VAL 500 CO -0.06 0.01 1.73 1.55 0.00 0.00 0.00 175.10 178.32 1ubj h PRO 501 N 3.12 0.38 0.00 2.72 0.13 -1.83 0.19 132.00 136.70 1ubj h PRO 501 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ubj h PRO 501 Cb 1.18 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ubj h PRO 501 CO 0.57 0.25 0.00 0.77 -0.23 0.00 0.00 178.00 179.36 1ubj h SER 502 N 0.39 0.00 -0.47 1.44 0.02 -1.84 -1.59 113.55 111.50 1ubj h SER 502 Ca 0.35 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1ubj h SER 502 Cb 0.49 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1ubj h SER 502 CO -0.37 0.00 0.14 0.74 -1.14 0.00 0.00 176.83 176.21 1ubj h THR 503 N 0.00 1.23 0.08 -2.27 2.02 -1.17 0.17 112.91 112.97 1ubj h THR 503 Ca 0.00 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1ubj h THR 503 Cb 0.40 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1ubj h THR 503 CO 0.00 0.27 -0.05 -0.50 0.37 0.00 0.00 175.52 175.62 1ubj h TRP 504 N 0.63 -0.12 0.19 3.16 4.06 -1.10 -1.15 115.95 121.62 1ubj h TRP 504 Ca 0.15 -0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.79 1ubj h TRP 504 Cb 0.28 0.04 0.02 0.00 -1.00 0.00 0.00 29.16 28.50 1ubj h TRP 504 CO 0.01 -0.08 -1.36 1.15 -3.56 0.00 0.00 178.44 174.61 1ubj h THR 505 N -0.12 1.38 -0.02 1.49 2.02 -1.31 -3.38 112.91 112.97 1ubj h THR 505 Ca -0.01 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1ubj h THR 505 Cb 0.10 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1ubj h THR 505 CO 0.01 0.84 0.00 0.18 0.37 0.00 0.00 175.52 176.92 1ubj n LEU 506 N -3.64 1.39 -4.54 2.58 4.32 0.60 -1.40 117.00 116.31 1ubj n LEU 506 Ca -0.13 -1.22 -0.29 0.00 -0.02 0.00 0.00 56.01 54.35 1ubj n LEU 506 Cb 1.06 -0.01 0.24 0.00 -1.62 0.00 0.00 43.42 43.09 1ubj n LEU 506 CO 0.58 0.33 0.57 -0.83 -1.22 0.00 0.00 177.39 176.81 1ubj s GLY 507 N -0.35 1.54 0.00 -0.72 0.00 -0.43 -4.81 107.32 102.54 1ubj s GLY 507 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1ubj s GLY 507 CO 0.03 0.15 0.00 -1.55 0.00 0.00 0.00 173.10 171.73 1ubj n PRO 508 N -4.84 0.65 -1.31 2.90 -0.04 -1.26 -4.52 135.00 126.58 1ubj n PRO 508 Ca 0.10 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.23 1ubj n PRO 508 Cb 0.58 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.14 1ubj n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ubj s ARG 509 N -1.45 2.07 0.46 0.54 0.52 -1.26 -4.27 118.95 115.56 1ubj s ARG 509 Ca 0.00 1.50 0.08 0.00 -0.52 0.00 0.00 55.73 56.79 1ubj s ARG 509 Cb 0.00 -1.85 0.08 0.00 0.52 0.00 0.00 34.95 33.69 1ubj s ARG 509 CO 0.00 -1.84 0.62 0.00 0.02 0.00 0.00 175.30 174.11 1ubj n ASP 511 N -2.42 0.00 -1.24 0.00 3.85 -1.26 -0.32 116.55 115.15 1ubj n ASP 511 Ca 0.12 -0.79 0.09 0.00 -0.71 0.00 0.00 54.79 53.50 1ubj n ASP 511 Cb 0.48 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.55 1ubj n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1ubj n LYS 512 N -0.90 3.28 -2.06 0.11 5.02 -1.26 -4.96 118.16 117.39 1ubj n LYS 512 Ca 0.13 -2.66 -0.20 0.00 -2.02 0.00 0.00 58.31 53.56 1ubj n LYS 512 Cb 0.06 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.34 1ubj n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ubj n ASN 513 N 0.86 -5.62 -4.71 4.39 5.03 0.56 -4.97 115.26 110.80 1ubj n ASN 513 Ca 0.22 0.19 -0.42 0.00 0.87 0.00 0.00 54.58 55.44 1ubj n ASN 513 Cb 0.74 -4.75 -0.03 0.00 -1.02 0.00 0.00 39.78 34.72 1ubj n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ubj s LYS 514 N -4.48 4.52 0.42 3.52 1.02 -1.26 -4.82 119.74 118.68 1ubj s LYS 514 Ca 0.00 1.50 -0.26 0.00 0.02 0.00 0.00 55.97 57.23 1ubj s LYS 514 Cb 0.00 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.79 1ubj s LYS 514 CO 0.00 -0.11 1.37 -0.51 -0.92 0.00 0.00 175.35 175.18 1ubj s LEU 515 N 1.07 4.17 0.95 3.17 1.02 -1.26 -3.52 118.68 124.28 1ubj s LEU 515 Ca 0.53 2.80 -0.12 0.00 0.02 0.00 0.00 54.13 57.36 1ubj s LEU 515 Cb -0.23 -3.90 0.16 0.00 0.02 0.00 0.00 46.19 42.24 1ubj s LEU 515 CO 0.28 -1.00 1.10 -0.94 0.02 0.00 0.00 176.35 175.80 1ubj s SER 516 N -0.59 3.08 0.19 2.29 1.04 -1.26 -4.68 113.70 113.77 1ubj s SER 516 Ca 0.58 1.30 -0.13 0.00 0.48 0.00 0.00 55.95 58.18 1ubj s SER 516 Cb -0.41 -1.97 0.20 0.00 0.10 0.00 0.00 66.02 63.94 1ubj s SER 516 CO 0.53 -2.86 1.68 -0.65 0.98 0.00 0.00 173.24 172.93 1ubj h PRO 517 N -1.70 0.12 -0.49 4.02 0.11 -1.78 0.16 132.00 132.44 1ubj h PRO 517 Ca -0.52 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1ubj h PRO 517 Cb 1.31 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1ubj h PRO 517 CO 0.57 0.08 0.01 -0.24 -0.21 0.00 0.00 178.00 178.21 1ubj h VAL 518 N 0.13 1.26 0.18 3.15 3.04 -1.58 0.08 116.25 122.51 1ubj h VAL 518 Ca 0.26 -1.05 0.01 0.00 -1.01 0.00 0.00 66.70 64.91 1ubj h VAL 518 Cb 0.39 0.98 -0.02 0.00 -2.01 0.00 0.00 31.29 30.62 1ubj h VAL 518 CO -0.42 0.37 -0.24 -0.33 -1.01 0.00 0.00 177.57 175.94 1ubj h GLU 519 N 0.71 -0.46 -0.89 4.17 5.08 -1.69 -2.76 114.58 118.74 1ubj h GLU 519 Ca 0.14 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1ubj h GLU 519 Cb 0.49 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1ubj h GLU 519 CO 0.02 -0.30 0.59 0.00 -1.00 0.00 0.00 179.01 178.32 1ubj h ALA 520 N 0.24 1.13 0.00 3.43 0.00 -0.91 -2.39 119.26 120.77 1ubj h ALA 520 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ubj h ALA 520 Cb 0.47 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ubj h ALA 520 CO -0.09 0.53 -0.02 0.66 0.00 0.00 0.00 179.25 180.32 1ubj h SER 521 N 1.20 0.00 1.41 0.00 4.64 -0.73 -2.42 113.55 117.65 1ubj h SER 521 Ca 0.33 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.58 1ubj h SER 521 Cb -0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1ubj h SER 521 CO -0.07 0.02 -0.61 -0.07 -0.87 0.00 0.00 176.83 175.22 1ubj h LEU 522 N 0.00 0.00 -9.71 5.97 4.07 -1.15 -3.14 115.31 111.35 1ubj h LEU 522 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1ubj h LEU 522 Cb 0.07 0.00 0.06 0.00 1.08 0.00 0.00 40.66 41.87 1ubj h LEU 522 CO 0.00 0.27 0.81 -0.63 -1.08 0.00 0.00 178.44 177.82 1ubj s ILE 523 N -3.10 2.57 0.00 1.22 -1.09 -0.91 -1.72 121.20 118.16 1ubj s ILE 523 Ca 0.03 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1ubj s ILE 523 Cb 0.07 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 1ubj s ILE 523 CO 0.74 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 1ubj n GLY 524 N 2.68 0.98 3.68 6.18 0.00 0.30 -4.76 105.19 114.26 1ubj n GLY 524 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ubj n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubj s THR 525 N -2.54 2.98 0.44 2.61 2.01 -0.70 -4.63 115.64 115.80 1ubj s THR 525 Ca 0.00 0.36 -0.24 0.00 0.31 0.00 0.00 61.69 62.12 1ubj s THR 525 Cb 0.00 -3.23 -0.08 0.00 0.01 0.00 0.00 72.50 69.20 1ubj s THR 525 CO 0.00 -0.01 1.16 -2.16 -0.69 0.00 0.00 174.62 172.92 1ubj s PRO 526 N 3.01 3.86 -0.17 4.92 0.04 -1.26 -0.35 135.00 145.06 1ubj s PRO 526 Ca 0.77 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.55 1ubj s PRO 526 Cb -0.41 -2.48 0.05 0.00 0.04 0.00 0.00 34.50 31.71 1ubj s PRO 526 CO 0.34 -0.46 0.04 0.14 0.04 0.00 0.00 177.00 177.10 1ubj s VAL 527 N -1.53 0.36 0.13 -0.36 -7.23 0.21 -4.69 120.40 107.30 1ubj s VAL 527 Ca 0.62 -0.36 -0.12 0.00 -1.81 0.00 0.00 61.98 60.31 1ubj s VAL 527 Cb -0.28 -0.85 -0.08 0.00 0.56 0.00 0.00 36.38 35.73 1ubj s VAL 527 CO 0.35 -0.15 1.43 0.00 -0.31 0.00 0.00 175.10 176.41 1ubj h ALA 528 N 8.30 0.49 -2.99 1.32 0.00 -1.92 -3.42 119.26 121.04 1ubj h ALA 528 Ca -0.16 -0.49 -0.48 0.00 0.00 0.00 0.00 54.91 53.78 1ubj h ALA 528 Cb 1.13 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.42 1ubj h ALA 528 CO 0.31 0.66 -0.76 0.34 0.00 0.00 0.00 179.25 179.81 1ubj s ASP 529 N -6.89 2.64 0.52 0.00 3.68 -1.26 -4.97 116.67 110.38 1ubj s ASP 529 Ca -0.11 -0.78 0.27 0.00 2.13 0.00 0.00 52.55 54.06 1ubj s ASP 529 Cb 0.10 -0.27 1.42 0.00 -1.45 0.00 0.00 42.92 42.72 1ubj s ASP 529 CO 0.89 -0.37 2.06 0.00 0.13 0.00 0.00 175.17 177.87 1ubj h ALA 530 N 8.42 1.27 0.00 3.66 0.00 -2.01 0.94 119.26 131.53 1ubj h ALA 530 Ca -0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1ubj h ALA 530 Cb 1.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ubj h ALA 530 CO 0.33 0.16 -0.13 0.87 0.00 0.00 0.00 179.25 180.47 1ubj h LYS 531 N 0.00 0.00 -2.07 0.00 1.57 -1.99 -3.36 116.57 110.72 1ubj h LYS 531 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1ubj h LYS 531 Cb 0.36 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.27 1ubj h LYS 531 CO 0.02 0.13 -0.96 0.54 -0.57 0.00 0.00 179.45 178.61 1ubj n ARG 532 N -3.21 1.37 -1.59 3.15 1.74 0.31 -5.04 116.66 113.39 1ubj n ARG 532 Ca 0.01 -3.72 -0.40 0.00 -0.77 0.00 0.00 57.85 52.98 1ubj n ARG 532 Cb 0.45 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1ubj n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ubj n PRO 533 N 1.03 3.69 0.27 5.56 -0.04 -1.14 -4.61 135.00 139.76 1ubj n PRO 533 Ca 0.24 -2.60 0.12 0.00 -0.04 0.00 0.00 63.50 61.22 1ubj n PRO 533 Cb 0.51 -2.88 0.77 0.00 -0.04 0.00 0.00 33.50 31.86 1ubj n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ubj h VAL 534 N 3.18 0.77 -0.49 0.52 3.04 -1.96 -2.04 116.25 119.26 1ubj h VAL 534 Ca 0.75 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 66.36 1ubj h VAL 534 Cb 0.38 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.63 1ubj h VAL 534 CO 1.74 0.00 -0.01 -0.33 -1.01 0.00 0.00 177.57 177.96 1ubj h GLU 535 N 0.00 0.84 -0.58 4.17 3.07 -1.83 0.43 114.58 120.68 1ubj h GLU 535 Ca 0.01 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 58.58 1ubj h GLU 535 Cb 0.04 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1ubj h GLU 535 CO -0.00 0.85 0.17 0.82 -1.40 0.00 0.00 179.01 179.45 1ubj h ILE 536 N 0.77 1.24 -0.84 3.13 2.04 -1.66 -2.82 117.51 119.38 1ubj h ILE 536 Ca 0.15 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1ubj h ILE 536 Cb 0.49 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1ubj h ILE 536 CO 0.02 0.31 0.39 -0.07 0.00 0.00 0.00 178.15 178.80 1ubj h LEU 537 N 0.81 1.11 -0.75 1.44 3.38 -1.30 -0.76 115.31 119.23 1ubj h LEU 537 Ca 0.18 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1ubj h LEU 537 Cb 0.30 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1ubj h LEU 537 CO -0.00 0.94 0.43 0.03 0.09 0.00 0.00 178.44 179.93 1ubj h ARG 538 N 1.20 0.75 -0.07 1.13 3.08 -0.69 0.43 114.38 120.20 1ubj h ARG 538 Ca 0.29 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 1ubj h ARG 538 Cb 0.14 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.02 1ubj h ARG 538 CO -0.03 0.50 -0.40 1.15 -1.07 0.00 0.00 179.97 180.11 1ubj h THR 539 N 0.77 1.41 -0.32 2.04 2.02 -1.32 -1.78 112.91 115.73 1ubj h THR 539 Ca 0.34 -1.79 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 1ubj h THR 539 Cb 0.23 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1ubj h THR 539 CO -0.20 0.52 0.14 0.58 0.37 0.00 0.00 175.52 176.93 1ubj h VAL 540 N -0.06 1.17 0.00 3.16 2.07 -0.91 -2.13 116.25 119.55 1ubj h VAL 540 Ca -0.03 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1ubj h VAL 540 Cb 1.06 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1ubj h VAL 540 CO 0.08 0.18 -0.11 0.45 0.02 0.00 0.00 177.57 178.20 1ubj h HIS 541 N 0.37 0.00 0.00 1.57 -0.00 -0.17 -2.69 115.15 114.24 1ubj h HIS 541 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1ubj h HIS 541 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1ubj h HIS 541 CO -0.01 0.11 -0.11 0.66 -0.00 0.00 0.00 177.93 178.58 1ubj h SER 542 N 0.00 0.00 1.00 2.45 4.64 -0.61 0.30 113.55 121.33 1ubj h SER 542 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubj h SER 542 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ubj h SER 542 CO 0.01 0.11 -0.04 0.49 -0.87 0.00 0.00 176.83 176.53 1ubj n PHE 543 N -3.73 0.07 -3.36 4.77 3.72 -1.01 -4.58 117.46 113.33 1ubj n PHE 543 Ca -0.02 0.02 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1ubj n PHE 543 Cb 0.22 -0.51 0.04 0.00 -0.94 0.00 0.00 39.48 38.29 1ubj n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ubj n ASP 544 N -1.56 -6.45 -4.76 4.37 4.64 0.09 -4.90 116.55 107.97 1ubj n ASP 544 Ca 0.07 -0.66 -0.38 0.00 -1.38 0.00 0.00 54.79 52.43 1ubj n ASP 544 Cb 0.35 -4.52 0.02 0.00 -1.04 0.00 0.00 41.12 35.93 1ubj n ASP 544 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1ubj s PRO 545 N -4.55 3.50 -0.27 -0.67 0.02 -1.26 -4.95 135.00 126.83 1ubj s PRO 545 Ca 0.33 2.06 -0.03 0.00 0.02 0.00 0.00 61.00 63.38 1ubj s PRO 545 Cb -0.07 -2.39 0.09 0.00 0.02 0.00 0.00 34.50 32.14 1ubj s PRO 545 CO 0.79 -0.85 0.10 0.00 -0.33 0.00 0.00 177.00 176.71 1ubj h ILE 547 N 6.45 1.02 -0.49 0.00 1.08 -1.12 0.20 117.51 124.65 1ubj h ILE 547 Ca -0.17 -2.56 -0.02 0.00 -0.39 0.00 0.00 64.86 61.72 1ubj h ILE 547 Cb 1.04 2.45 -0.02 0.00 -3.07 0.00 0.00 36.82 37.22 1ubj h ILE 547 CO 0.42 0.58 0.22 0.00 -0.69 0.00 0.00 178.15 178.68 1ubj h ALA 548 N 1.28 0.63 0.02 1.87 0.00 -1.84 -1.28 119.26 119.95 1ubj h ALA 548 Ca -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ubj h ALA 548 Cb 1.61 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1ubj h ALA 548 CO 0.08 0.21 -0.16 0.00 0.00 0.00 0.00 179.25 179.38 1ubj h GLY 550 N -0.28 0.94 0.00 0.00 0.00 -0.65 -3.33 103.07 99.75 1ubj h GLY 550 Ca 0.05 -0.45 -0.37 0.00 0.00 0.00 0.00 47.33 46.55 1ubj h GLY 550 CO -0.14 0.43 -2.42 -0.62 0.00 0.00 0.00 176.54 173.79 1ubj n VAL 551 N -4.34 1.42 -0.12 4.60 0.31 -0.51 -4.41 118.33 115.28 1ubj n VAL 551 Ca 0.05 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1ubj n VAL 551 Cb 0.14 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1ubj n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51