#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxh s ASP 2 N 0.00 5.59 -0.24 0.00 1.01 -1.26 -5.08 116.67 116.70 1bxh s ASP 2 Ca 0.00 0.23 -0.03 0.00 0.71 0.00 0.00 52.55 53.47 1bxh s ASP 2 Cb 0.00 -1.32 0.01 0.00 1.01 0.00 0.00 42.92 42.62 1bxh s ASP 2 CO 0.00 -0.91 -0.05 -0.89 0.21 0.00 0.00 175.17 173.53 1bxh s THR 3 N -2.69 3.08 -0.00 -1.27 2.01 -1.26 -5.03 115.64 110.48 1bxh s THR 3 Ca 0.52 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.80 1bxh s THR 3 Cb -0.10 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1bxh s THR 3 CO 0.39 0.29 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.75 1bxh s ILE 4 N 1.39 1.88 -0.07 1.82 -1.09 -1.26 -3.41 121.20 120.46 1bxh s ILE 4 Ca 0.03 -1.09 0.01 0.00 -2.23 0.00 0.00 60.65 57.37 1bxh s ILE 4 Cb -0.16 -1.58 0.02 0.00 -1.58 0.00 0.00 42.46 39.17 1bxh s ILE 4 CO -0.04 0.46 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.38 1bxh s VAL 5 N -0.62 0.77 0.05 2.92 1.01 -0.92 -0.05 120.40 123.55 1bxh s VAL 5 Ca 0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1bxh s VAL 5 Cb -0.09 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1bxh s VAL 5 CO -0.00 0.30 0.25 0.00 0.00 0.00 0.00 175.10 175.65 1bxh s ALA 6 N 1.25 -0.51 -0.25 5.51 0.00 0.41 -1.18 121.76 126.98 1bxh s ALA 6 Ca -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1bxh s ALA 6 Cb -0.14 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1bxh s ALA 6 CO -0.02 -0.40 -0.05 0.08 0.00 0.00 0.00 175.76 175.37 1bxh s VAL 7 N -2.68 3.00 -0.04 0.00 1.01 -0.41 0.76 120.40 122.04 1bxh s VAL 7 Ca -0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1bxh s VAL 7 Cb -0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1bxh s VAL 7 CO -0.04 0.21 0.08 -1.83 0.00 0.00 0.00 175.10 173.52 1bxh s GLU 8 N 1.35 3.15 -0.76 2.72 -1.05 0.02 -1.53 118.70 122.59 1bxh s GLU 8 Ca 0.01 -0.39 -0.04 0.00 -0.15 0.00 0.00 54.97 54.40 1bxh s GLU 8 Cb -0.16 -2.93 0.19 0.00 -0.44 0.00 0.00 34.13 30.79 1bxh s GLU 8 CO -0.04 0.69 0.62 -0.51 0.95 0.00 0.00 175.26 176.97 1bxh s LEU 9 N -1.43 5.60 -0.37 1.83 1.02 0.15 -1.56 118.68 123.92 1bxh s LEU 9 Ca 0.20 -3.16 -0.24 0.00 0.02 0.00 0.00 54.13 50.95 1bxh s LEU 9 Cb -0.12 -1.94 0.01 0.00 0.02 0.00 0.00 46.19 44.17 1bxh s LEU 9 CO 0.10 -0.33 0.81 -0.62 0.02 0.00 0.00 176.35 176.33 1bxh s ASP 10 N 0.63 6.56 0.14 2.29 -1.08 0.40 -1.80 116.67 123.81 1bxh s ASP 10 Ca 0.21 0.34 0.23 0.00 -0.52 0.00 0.00 52.55 52.81 1bxh s ASP 10 Cb -0.14 -2.41 -0.03 0.00 -1.46 0.00 0.00 42.92 38.89 1bxh s ASP 10 CO -0.07 -0.78 0.97 0.35 0.52 0.00 0.00 175.17 176.16 1bxh n THR 11 N 5.87 0.46 -4.04 1.71 -2.24 -1.06 -1.15 114.28 113.83 1bxh n THR 11 Ca 0.04 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 1bxh n THR 11 Cb 0.48 -0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.35 1bxh n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bxh s TYR 12 N -3.36 2.89 -0.51 4.78 5.04 -1.24 -4.51 117.35 120.44 1bxh s TYR 12 Ca -0.01 -1.46 -0.28 0.00 -2.44 0.00 0.00 57.07 52.88 1bxh s TYR 12 Cb 0.11 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.44 1bxh s TYR 12 CO 0.81 -0.73 1.41 -1.25 -1.34 0.00 0.00 175.55 174.45 1bxh s PRO 13 N 1.34 3.40 -1.06 4.97 0.04 -1.26 -4.93 135.00 137.50 1bxh s PRO 13 Ca 0.04 0.63 -0.04 0.00 0.04 0.00 0.00 61.00 61.67 1bxh s PRO 13 Cb -0.14 -4.09 0.30 0.00 0.04 0.00 0.00 34.50 30.61 1bxh s PRO 13 CO -0.09 -1.80 1.37 0.09 0.04 0.00 0.00 177.00 176.61 1bxh n ASN 14 N 9.31 6.08 -0.01 6.66 4.13 -1.26 -4.84 115.26 135.33 1bxh n ASN 14 Ca 0.14 -3.35 0.23 0.00 1.68 0.00 0.00 54.58 53.28 1bxh n ASN 14 Cb 0.49 -1.25 0.72 0.00 -1.54 0.00 0.00 39.78 38.20 1bxh n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1bxh h THR 15 N 3.46 0.44 0.00 3.41 1.35 -1.82 0.86 112.91 120.61 1bxh h THR 15 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1bxh h THR 15 Cb 0.66 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1bxh h THR 15 CO 1.25 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.62 1bxh n ASP 16 N -3.91 0.00 -0.31 5.36 5.68 -1.26 -2.19 116.55 119.92 1bxh n ASP 16 Ca 0.12 0.07 0.03 0.00 -0.50 0.00 0.00 54.79 54.50 1bxh n ASP 16 Cb 0.76 -0.23 0.04 0.00 -1.14 0.00 0.00 41.12 40.55 1bxh n ASP 16 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1bxh n ILE 17 N -1.23 0.59 0.00 2.12 -5.35 0.29 -5.01 119.36 110.77 1bxh n ILE 17 Ca 0.05 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1bxh n ILE 17 Cb 0.07 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1bxh n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bxh n GLY 18 N -0.44 2.15 3.75 3.28 0.00 -0.93 -4.70 105.19 108.30 1bxh n GLY 18 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1bxh n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bxh n ASP 19 N 0.00 3.05 -4.36 1.61 8.00 -1.15 -4.94 116.55 118.76 1bxh n ASP 19 Ca 0.00 1.07 -0.29 0.00 0.71 0.00 0.00 54.79 56.28 1bxh n ASP 19 Cb 0.00 -1.59 0.21 0.00 -0.02 0.00 0.00 41.12 39.72 1bxh n ASP 19 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1bxh s PRO 20 N -2.59 -0.38 -0.55 -0.24 0.02 -1.26 -4.00 135.00 126.00 1bxh s PRO 20 Ca 0.65 0.34 -0.04 0.00 0.02 0.00 0.00 61.00 61.96 1bxh s PRO 20 Cb -0.44 -1.66 0.05 0.00 0.02 0.00 0.00 34.50 32.47 1bxh s PRO 20 CO 0.55 -3.24 2.77 -1.13 -0.33 0.00 0.00 177.00 175.62 1bxh n SER 21 N -4.50 6.62 -3.61 2.53 3.41 -1.26 -4.59 113.62 112.22 1bxh n SER 21 Ca 0.07 -3.15 -0.03 0.00 -0.26 0.00 0.00 58.87 55.49 1bxh n SER 21 Cb 0.58 -1.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.25 1bxh n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1bxh s TYR 22 N -1.47 -0.10 0.32 7.33 -0.85 -1.26 -4.99 117.35 116.32 1bxh s TYR 22 Ca 0.59 0.05 -0.28 0.00 -0.52 0.00 0.00 57.07 56.91 1bxh s TYR 22 Cb 0.35 0.51 -0.13 0.00 0.38 0.00 0.00 41.96 43.08 1bxh s TYR 22 CO -0.19 -0.17 1.17 -2.30 -1.52 0.00 0.00 175.55 172.54 1bxh n PRO 23 N -0.11 1.78 -3.81 -3.49 -0.02 -1.26 -4.69 135.00 123.40 1bxh n PRO 23 Ca 0.01 0.63 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1bxh n PRO 23 Cb 0.58 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 1bxh n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1bxh s HIS 24 N -1.07 -0.02 0.00 6.00 -3.43 -0.30 -1.24 115.29 115.23 1bxh s HIS 24 Ca 0.57 -0.34 0.06 0.00 -0.80 0.00 0.00 55.06 54.55 1bxh s HIS 24 Cb -0.63 0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 30.88 1bxh s HIS 24 CO 0.61 -0.98 -0.19 0.96 -2.00 0.00 0.00 174.74 173.14 1bxh s ILE 25 N -3.91 2.67 0.18 -5.38 -4.36 -0.76 -0.45 121.20 109.18 1bxh s ILE 25 Ca 0.12 -1.05 -0.08 0.00 -0.26 0.00 0.00 60.65 59.39 1bxh s ILE 25 Cb -0.02 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 1bxh s ILE 25 CO 0.01 0.47 0.28 -0.83 0.24 0.00 0.00 174.94 175.11 1bxh s GLY 26 N -1.03 0.61 -0.24 6.27 0.00 -0.60 -1.29 107.32 111.04 1bxh s GLY 26 Ca 0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1bxh s GLY 26 CO 0.02 -0.90 -0.04 -0.42 0.00 0.00 0.00 173.10 171.77 1bxh s ILE 27 N -4.00 3.25 -0.23 0.90 1.01 -0.69 -0.80 121.20 120.64 1bxh s ILE 27 Ca 0.20 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1bxh s ILE 27 Cb 0.03 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1bxh s ILE 27 CO 0.02 0.30 0.04 -1.81 0.00 0.00 0.00 174.94 173.50 1bxh s ASP 28 N 1.42 5.03 -0.43 3.58 1.01 0.23 -1.20 116.67 126.31 1bxh s ASP 28 Ca 0.03 -0.20 -0.05 0.00 0.71 0.00 0.00 52.55 53.04 1bxh s ASP 28 Cb -0.15 -1.89 0.11 0.00 1.01 0.00 0.00 42.92 42.00 1bxh s ASP 28 CO -0.03 0.00 0.25 -0.63 0.21 0.00 0.00 175.17 174.97 1bxh s ILE 29 N 1.38 3.60 -1.94 0.77 -1.09 -1.26 -0.45 121.20 122.20 1bxh s ILE 29 Ca 0.05 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.52 1bxh s ILE 29 Cb -0.15 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1bxh s ILE 29 CO 0.02 -0.71 0.00 0.29 -1.23 0.00 0.00 174.94 173.32 1bxh n LYS 30 N 4.70 -1.45 -3.61 2.79 5.02 0.93 -4.93 118.16 121.61 1bxh n LYS 30 Ca -0.04 1.08 -0.14 0.00 -2.02 0.00 0.00 58.31 57.19 1bxh n LYS 30 Cb 0.41 -5.46 -0.07 0.00 -0.02 0.00 0.00 35.03 29.89 1bxh n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bxh s SER 31 N -2.53 -0.67 0.11 4.39 0.15 -1.26 -4.94 113.70 108.95 1bxh s SER 31 Ca 0.00 1.17 0.20 0.00 0.70 0.00 0.00 55.95 58.02 1bxh s SER 31 Cb 0.00 1.14 0.82 0.00 -1.71 0.00 0.00 66.02 66.27 1bxh s SER 31 CO 0.00 -0.31 1.61 0.55 1.20 0.00 0.00 173.24 176.29 1bxh n VAL 32 N 2.17 0.83 -2.78 4.45 3.14 -1.26 -4.25 118.33 120.63 1bxh n VAL 32 Ca -0.15 0.19 -0.43 0.00 -2.96 0.00 0.00 64.34 61.00 1bxh n VAL 32 Cb 0.56 -1.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.31 1bxh n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bxh s ARG 33 N -3.13 3.62 0.14 1.45 0.52 -1.26 -4.98 118.95 115.32 1bxh s ARG 33 Ca 0.07 -1.56 -0.32 0.00 -0.52 0.00 0.00 55.73 53.39 1bxh s ARG 33 Cb 0.10 -5.10 -0.18 0.00 0.52 0.00 0.00 34.95 30.30 1bxh s ARG 33 CO 0.35 -1.94 0.76 0.43 0.02 0.00 0.00 175.30 174.92 1bxh n SER 34 N 7.42 -0.53 0.20 0.23 7.64 -1.26 -4.83 113.62 122.48 1bxh n SER 34 Ca 0.28 1.14 0.09 0.00 1.01 0.00 0.00 58.87 61.39 1bxh n SER 34 Cb 0.49 -0.98 0.32 0.00 -1.01 0.00 0.00 64.21 63.03 1bxh n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1bxh h LYS 35 N 1.83 0.00 -1.95 1.43 1.79 -1.50 -3.45 116.57 114.72 1bxh h LYS 35 Ca -0.37 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.08 1bxh h LYS 35 Cb 1.42 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.86 1bxh h LYS 35 CO 0.61 0.25 0.16 0.21 -1.08 0.00 0.00 179.45 179.60 1bxh s LYS 36 N -3.41 0.78 0.34 3.15 2.20 -1.25 -5.02 119.74 116.54 1bxh s LYS 36 Ca 0.02 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.64 1bxh s LYS 36 Cb 0.09 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.72 1bxh s LYS 36 CO 0.66 -0.10 0.08 0.95 -0.36 0.00 0.00 175.35 176.58 1bxh s THR 37 N 0.50 0.96 -0.12 3.43 -4.23 -1.26 -1.71 115.64 113.22 1bxh s THR 37 Ca -0.01 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 1bxh s THR 37 Cb -0.05 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.16 1bxh s THR 37 CO -0.02 0.00 0.33 0.00 -0.54 0.00 0.00 174.62 174.39 1bxh s ALA 38 N -3.34 -0.83 0.32 3.99 0.00 -0.41 -4.98 121.76 116.52 1bxh s ALA 38 Ca 0.33 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 1bxh s ALA 38 Cb 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 22.58 1bxh s ALA 38 CO 0.15 -0.17 1.41 0.21 0.00 0.00 0.00 175.76 177.36 1bxh s LYS 39 N 0.06 4.25 -0.17 0.00 2.20 -1.26 -1.82 119.74 122.99 1bxh s LYS 39 Ca -0.01 2.37 -0.00 0.00 -0.36 0.00 0.00 55.97 57.96 1bxh s LYS 39 Cb -0.03 -3.05 0.04 0.00 -1.51 0.00 0.00 37.83 33.29 1bxh s LYS 39 CO 0.01 -0.38 -0.07 -0.46 -0.36 0.00 0.00 175.35 174.09 1bxh s TRP 40 N -0.76 1.85 -1.32 4.03 -0.00 -0.37 -4.76 118.94 117.61 1bxh s TRP 40 Ca 0.54 -1.18 -0.14 0.00 -0.00 0.00 0.00 56.10 55.31 1bxh s TRP 40 Cb -0.43 -1.38 0.11 0.00 -0.00 0.00 0.00 33.47 31.76 1bxh s TRP 40 CO 0.53 -0.64 1.82 0.09 -0.00 0.00 0.00 176.95 178.75 1bxh n ASN 41 N 4.84 4.76 -4.70 5.86 3.02 -1.26 -4.36 115.26 123.43 1bxh n ASN 41 Ca -0.13 -2.95 -0.40 0.00 -0.03 0.00 0.00 54.58 51.08 1bxh n ASN 41 Cb 0.48 -1.63 0.03 0.00 -0.61 0.00 0.00 39.78 38.04 1bxh n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1bxh n MET 42 N 6.28 1.66 -4.01 3.52 0.00 -1.26 -4.99 117.12 118.32 1bxh n MET 42 Ca 0.45 0.60 -0.31 0.00 -0.00 0.00 0.00 57.70 58.44 1bxh n MET 42 Cb 0.42 -2.39 -0.15 0.00 0.00 0.00 0.00 33.22 31.09 1bxh n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1bxh s GLN 43 N -2.50 1.82 0.16 2.12 -0.21 -1.26 -5.10 119.66 114.69 1bxh s GLN 43 Ca 0.67 -1.41 -0.34 0.00 0.02 0.00 0.00 55.36 54.30 1bxh s GLN 43 Cb -0.47 -2.87 -0.14 0.00 1.00 0.00 0.00 33.01 30.53 1bxh s GLN 43 CO 0.53 -0.70 1.52 -1.71 -2.12 0.00 0.00 175.29 172.81 1bxh n ASN 44 N 4.45 2.81 0.00 5.90 2.85 -1.26 -2.38 115.26 127.63 1bxh n ASN 44 Ca -0.08 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.48 1bxh n ASN 44 Cb 0.42 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 40.06 1bxh n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bxh n GLY 45 N 3.14 1.97 3.73 8.20 0.00 -0.56 -4.99 105.19 116.68 1bxh n GLY 45 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1bxh n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bxh s LYS 46 N -0.04 2.84 0.02 1.61 1.02 -1.00 -4.95 119.74 119.25 1bxh s LYS 46 Ca 0.00 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 1bxh s LYS 46 Cb 0.00 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1bxh s LYS 46 CO 0.00 0.60 1.15 0.08 -0.92 0.00 0.00 175.35 176.26 1bxh s VAL 47 N -1.23 4.26 0.40 3.17 1.01 -1.26 -4.29 120.40 122.45 1bxh s VAL 47 Ca 0.24 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.88 1bxh s VAL 47 Cb -0.12 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1bxh s VAL 47 CO 0.16 0.10 0.03 -0.83 0.00 0.00 0.00 175.10 174.56 1bxh s GLY 48 N 1.13 2.44 0.02 4.51 0.00 -0.10 -4.56 107.32 110.77 1bxh s GLY 48 Ca 0.57 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 43.42 1bxh s GLY 48 CO 0.27 -2.00 -0.13 -1.59 0.00 0.00 0.00 173.10 169.65 1bxh s THR 49 N -2.96 1.00 -0.01 0.90 2.01 -0.11 -1.05 115.64 115.42 1bxh s THR 49 Ca 0.31 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.57 1bxh s THR 49 Cb 0.08 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1bxh s THR 49 CO 0.15 0.08 -0.20 0.00 -0.69 0.00 0.00 174.62 173.96 1bxh s ALA 50 N -0.65 1.69 -0.09 7.40 0.00 -0.46 -0.95 121.76 128.70 1bxh s ALA 50 Ca 0.02 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1bxh s ALA 50 Cb -0.07 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1bxh s ALA 50 CO 0.01 0.41 -0.09 -1.01 0.00 0.00 0.00 175.76 175.08 1bxh s HIS 51 N -0.51 1.37 -0.04 0.00 3.76 0.78 -2.52 115.29 118.13 1bxh s HIS 51 Ca 0.08 -0.59 0.07 0.00 -0.15 0.00 0.00 55.06 54.47 1bxh s HIS 51 Cb -0.08 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.50 1bxh s HIS 51 CO -0.00 -0.38 -0.25 0.42 -0.85 0.00 0.00 174.74 173.67 1bxh s ILE 52 N 1.24 1.99 0.04 0.60 1.09 -0.16 -0.52 121.20 125.48 1bxh s ILE 52 Ca -0.04 -1.05 -0.02 0.00 -1.10 0.00 0.00 60.65 58.44 1bxh s ILE 52 Cb -0.14 -1.67 -0.03 0.00 -1.06 0.00 0.00 42.46 39.57 1bxh s ILE 52 CO -0.03 0.56 0.01 0.27 -0.10 0.00 0.00 174.94 175.65 1bxh s ILE 53 N -0.33 0.17 -0.27 2.92 -4.36 -0.20 -1.15 121.20 117.97 1bxh s ILE 53 Ca 0.02 -1.40 -0.25 0.00 -0.26 0.00 0.00 60.65 58.76 1bxh s ILE 53 Cb -0.12 -1.07 0.12 0.00 1.25 0.00 0.00 42.46 42.65 1bxh s ILE 53 CO 0.02 -0.77 1.02 -0.47 0.24 0.00 0.00 174.94 174.97 1bxh s TYR 54 N -3.03 -0.48 0.00 1.37 5.04 -1.01 -1.67 117.35 117.57 1bxh s TYR 54 Ca -0.01 1.14 -0.03 0.00 -2.44 0.00 0.00 57.07 55.73 1bxh s TYR 54 Cb 0.01 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.68 1bxh s TYR 54 CO -0.07 -0.24 0.06 0.54 -1.34 0.00 0.00 175.55 174.50 1bxh s ASN 55 N 0.13 0.08 0.25 4.32 2.20 -1.26 -1.43 114.94 119.23 1bxh s ASN 55 Ca 0.03 -0.23 0.23 0.00 -0.94 0.00 0.00 52.86 51.95 1bxh s ASN 55 Cb -0.05 0.15 0.97 0.00 -2.00 0.00 0.00 41.25 40.32 1bxh s ASN 55 CO -0.05 -0.25 1.71 -1.54 -2.94 0.00 0.00 177.10 174.02 1bxh n SER 56 N 1.93 0.66 0.04 3.54 3.41 0.46 -0.94 113.62 122.72 1bxh n SER 56 Ca -0.20 0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 58.95 1bxh n SER 56 Cb 0.56 -0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1bxh n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1bxh h VAL 57 N 0.00 1.01 0.00 -3.33 2.07 -1.90 -3.32 116.25 110.78 1bxh h VAL 57 Ca 0.00 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1bxh h VAL 57 Cb 0.38 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1bxh h VAL 57 CO 0.00 0.26 -0.53 0.44 0.02 0.00 0.00 177.57 177.76 1bxh h ASP 58 N -0.79 0.00 -6.09 0.57 3.32 -1.97 -3.47 116.42 107.98 1bxh h ASP 58 Ca -0.02 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.62 1bxh h ASP 58 Cb 0.55 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.18 1bxh h ASP 58 CO 0.03 0.31 -0.88 0.29 -1.72 0.00 0.00 179.24 177.26 1bxh n LYS 59 N -3.09 -2.91 -3.74 3.56 5.02 -0.11 -4.87 118.16 112.02 1bxh n LYS 59 Ca 0.01 0.57 -0.22 0.00 -2.02 0.00 0.00 58.31 56.64 1bxh n LYS 59 Cb 0.67 -4.79 -0.18 0.00 -0.02 0.00 0.00 35.03 30.71 1bxh n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1bxh s ARG 60 N -5.81 0.39 -0.28 1.97 3.52 -1.25 -1.70 118.95 115.79 1bxh s ARG 60 Ca 0.25 0.16 -0.16 0.00 -0.13 0.00 0.00 55.73 55.86 1bxh s ARG 60 Cb -0.08 -0.91 -0.03 0.00 -1.56 0.00 0.00 34.95 32.37 1bxh s ARG 60 CO 0.83 -0.34 0.40 -1.17 -0.81 0.00 0.00 175.30 174.22 1bxh s LEU 61 N 2.03 4.12 0.16 -0.88 2.96 -0.52 -4.21 118.68 122.33 1bxh s LEU 61 Ca 0.05 0.23 0.09 0.00 -0.22 0.00 0.00 54.13 54.27 1bxh s LEU 61 Cb -0.12 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1bxh s LEU 61 CO -0.05 -0.24 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.11 1bxh s SER 62 N 1.65 2.69 -0.02 3.68 0.01 -0.67 -1.52 113.70 119.52 1bxh s SER 62 Ca 0.16 -0.84 -0.04 0.00 1.31 0.00 0.00 55.95 56.53 1bxh s SER 62 Cb -0.16 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1bxh s SER 62 CO 0.10 -0.02 0.09 0.00 0.41 0.00 0.00 173.24 173.83 1bxh s ALA 63 N -1.95 -0.22 -0.05 1.44 0.00 -0.02 -1.03 121.76 119.93 1bxh s ALA 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1bxh s ALA 63 Cb -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1bxh s ALA 63 CO 0.06 -0.12 -0.03 0.08 0.00 0.00 0.00 175.76 175.76 1bxh s VAL 64 N -0.68 0.45 -0.03 0.00 1.01 0.33 -2.03 120.40 119.46 1bxh s VAL 64 Ca -0.08 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1bxh s VAL 64 Cb -0.05 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1bxh s VAL 64 CO 0.00 0.23 -0.24 -0.69 0.00 0.00 0.00 175.10 174.41 1bxh s VAL 65 N 1.24 1.88 0.22 2.92 1.01 -0.64 -0.16 120.40 126.87 1bxh s VAL 65 Ca -0.06 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 1bxh s VAL 65 Cb -0.14 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1bxh s VAL 65 CO -0.02 0.53 0.60 -0.94 0.00 0.00 0.00 175.10 175.28 1bxh s SER 66 N -0.44 -0.32 0.15 3.32 1.04 -0.13 -1.38 113.70 115.94 1bxh s SER 66 Ca 0.06 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.14 1bxh s SER 66 Cb -0.10 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1bxh s SER 66 CO 0.00 -1.14 -0.21 -0.31 0.98 0.00 0.00 173.24 172.57 1bxh s TYR 67 N -3.87 1.93 0.33 5.02 2.02 -1.26 -0.93 117.35 120.58 1bxh s TYR 67 Ca 0.09 -0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 56.08 1bxh s TYR 67 Cb -0.03 -1.00 -0.13 0.00 -0.40 0.00 0.00 41.96 40.41 1bxh s TYR 67 CO -0.01 0.32 1.25 -2.30 -1.57 0.00 0.00 175.55 173.24 1bxh n PRO 68 N 0.59 2.01 -3.58 -1.71 -0.02 -1.26 -3.27 135.00 127.77 1bxh n PRO 68 Ca -0.15 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 1bxh n PRO 68 Cb 0.55 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1bxh n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1bxh n ASN 69 N 0.86 -5.37 -3.63 2.55 4.13 -1.26 -4.98 115.26 107.56 1bxh n ASN 69 Ca 0.06 -0.40 -0.03 0.00 1.68 0.00 0.00 54.58 55.89 1bxh n ASN 69 Cb 0.35 -1.78 -0.04 0.00 -1.54 0.00 0.00 39.78 36.78 1bxh n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bxh s ALA 70 N -1.99 -2.10 0.63 5.41 0.00 -1.20 -5.15 121.76 117.36 1bxh s ALA 70 Ca 0.26 1.83 -0.17 0.00 0.00 0.00 0.00 51.96 53.88 1bxh s ALA 70 Cb -0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 1bxh s ALA 70 CO 0.88 -0.31 1.19 -0.51 0.00 0.00 0.00 175.76 177.01 1bxh s ASP 71 N -1.24 4.97 0.03 0.00 1.01 -1.26 -4.65 116.67 115.52 1bxh s ASP 71 Ca 0.08 2.33 0.04 0.00 0.71 0.00 0.00 52.55 55.71 1bxh s ASP 71 Cb -0.01 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1bxh s ASP 71 CO -0.06 -1.74 -0.08 -0.94 0.21 0.00 0.00 175.17 172.56 1bxh s SER 72 N -1.82 4.56 -0.00 0.27 1.04 -1.26 -4.60 113.70 111.88 1bxh s SER 72 Ca 0.75 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.82 1bxh s SER 72 Cb -0.29 -1.01 -0.06 0.00 0.10 0.00 0.00 66.02 64.77 1bxh s SER 72 CO 0.37 0.25 0.43 0.00 0.98 0.00 0.00 173.24 175.26 1bxh s ALA 73 N -1.06 3.68 0.07 5.32 0.00 -0.48 -4.94 121.76 124.35 1bxh s ALA 73 Ca 0.18 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1bxh s ALA 73 Cb -0.11 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1bxh s ALA 73 CO 0.09 0.44 -0.14 0.99 0.00 0.00 0.00 175.76 177.15 1bxh s THR 74 N -0.97 1.08 -0.20 0.00 2.01 -1.26 -1.63 115.64 114.67 1bxh s THR 74 Ca 0.24 -1.26 -0.17 0.00 0.31 0.00 0.00 61.69 60.81 1bxh s THR 74 Cb -0.17 -1.04 0.06 0.00 0.01 0.00 0.00 72.50 71.36 1bxh s THR 74 CO 0.14 -0.21 0.53 0.54 -0.69 0.00 0.00 174.62 174.93 1bxh s VAL 75 N -1.23 -0.00 0.11 3.82 0.11 -0.86 -4.73 120.40 117.61 1bxh s VAL 75 Ca -0.02 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1bxh s VAL 75 Cb -0.10 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1bxh s VAL 75 CO 0.02 0.01 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.29 1bxh s SER 76 N 0.56 1.20 -0.27 3.54 0.01 -1.26 -0.84 113.70 116.65 1bxh s SER 76 Ca -0.02 -1.01 -0.19 0.00 1.31 0.00 0.00 55.95 56.03 1bxh s SER 76 Cb -0.04 0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.35 1bxh s SER 76 CO -0.03 -0.46 0.69 -0.47 0.41 0.00 0.00 173.24 173.38 1bxh s TYR 77 N -3.60 -0.95 -0.13 2.43 5.04 -0.58 -4.97 117.35 114.60 1bxh s TYR 77 Ca 0.13 2.03 -0.29 0.00 -2.44 0.00 0.00 57.07 56.49 1bxh s TYR 77 Cb 0.05 0.49 -0.01 0.00 0.35 0.00 0.00 41.96 42.84 1bxh s TYR 77 CO -0.04 -0.47 1.02 -0.51 -1.34 0.00 0.00 175.55 174.21 1bxh s ASP 78 N 1.15 7.22 -0.28 4.32 1.01 -1.26 -1.44 116.67 127.38 1bxh s ASP 78 Ca -0.06 1.51 -0.21 0.00 0.71 0.00 0.00 52.55 54.51 1bxh s ASP 78 Cb -0.05 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.41 1bxh s ASP 78 CO -0.12 -0.49 0.76 0.54 0.21 0.00 0.00 175.17 176.07 1bxh s VAL 79 N 2.23 0.00 -0.47 -1.27 0.11 -0.69 -4.98 120.40 115.33 1bxh s VAL 79 Ca 0.48 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.36 1bxh s VAL 79 Cb -0.18 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.73 1bxh s VAL 79 CO 0.16 0.00 0.49 -0.62 -3.33 0.00 0.00 175.10 171.79 1bxh s ASP 80 N 0.97 6.18 0.56 3.54 -1.08 -1.26 -4.20 116.67 121.38 1bxh s ASP 80 Ca -0.05 -1.04 0.37 0.00 -0.52 0.00 0.00 52.55 51.32 1bxh s ASP 80 Cb -0.05 -2.23 1.96 0.00 -1.46 0.00 0.00 42.92 41.14 1bxh s ASP 80 CO -0.10 -0.72 2.14 -0.07 0.52 0.00 0.00 175.17 176.94 1bxh h LEU 81 N 9.16 0.00 -0.95 -1.34 3.38 -1.98 -1.99 115.31 121.59 1bxh h LEU 81 Ca -0.28 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1bxh h LEU 81 Cb 1.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1bxh h LEU 81 CO 0.89 0.00 0.62 0.44 0.09 0.00 0.00 178.44 180.48 1bxh h ASP 82 N 0.00 1.10 0.56 -0.43 3.32 -1.92 -1.50 116.42 117.56 1bxh h ASP 82 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1bxh h ASP 82 Cb 0.09 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1bxh h ASP 82 CO 0.00 0.81 -0.02 0.59 -1.72 0.00 0.00 179.24 178.90 1bxh n ASN 83 N -4.41 0.05 -0.02 6.45 3.02 -0.75 -4.30 115.26 115.29 1bxh n ASN 83 Ca 0.11 -0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.46 1bxh n ASN 83 Cb 0.02 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1bxh n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1bxh n VAL 84 N -1.26 0.29 -4.20 2.41 0.31 -0.91 -5.07 118.33 109.90 1bxh n VAL 84 Ca 0.14 -0.12 -0.27 0.00 -0.01 0.00 0.00 64.34 64.08 1bxh n VAL 84 Cb 0.25 -0.71 -0.08 0.00 -0.91 0.00 0.00 33.84 32.39 1bxh n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1bxh s LEU 85 N -5.14 3.33 0.97 7.52 1.43 -0.61 -4.96 118.68 121.22 1bxh s LEU 85 Ca -0.06 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1bxh s LEU 85 Cb 0.02 -1.99 0.17 0.00 0.03 0.00 0.00 46.19 44.41 1bxh s LEU 85 CO 0.13 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.73 1bxh s PRO 86 N -2.87 0.65 0.37 1.29 0.04 -1.26 -4.77 135.00 128.46 1bxh s PRO 86 Ca 0.27 0.79 0.05 0.00 0.04 0.00 0.00 61.00 62.16 1bxh s PRO 86 Cb -0.10 -1.74 0.73 0.00 0.04 0.00 0.00 34.50 33.44 1bxh s PRO 86 CO 0.19 -2.65 1.99 1.49 0.04 0.00 0.00 177.00 178.05 1bxh h GLU 87 N -1.85 0.58 -5.87 4.56 4.81 -1.94 -3.41 114.58 111.46 1bxh h GLU 87 Ca -0.52 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 57.97 1bxh h GLU 87 Cb 1.30 -0.12 -0.24 0.00 0.63 0.00 0.00 28.75 30.32 1bxh h GLU 87 CO 0.54 0.46 -0.76 -1.58 -0.73 0.00 0.00 179.01 176.94 1bxh s TRP 88 N -5.35 2.77 0.34 0.92 0.52 -1.26 -2.00 118.94 114.88 1bxh s TRP 88 Ca -0.08 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 55.71 1bxh s TRP 88 Cb 0.17 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 1bxh s TRP 88 CO 0.75 0.02 0.39 0.14 0.02 0.00 0.00 176.95 178.27 1bxh s VAL 89 N -0.26 0.00 0.07 4.03 -7.23 -0.56 -4.30 120.40 112.15 1bxh s VAL 89 Ca 0.02 -1.78 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 1bxh s VAL 89 Cb -0.13 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1bxh s VAL 89 CO 0.03 0.00 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.48 1bxh s ARG 90 N -3.18 1.31 0.04 4.82 0.52 -0.42 0.05 118.95 122.08 1bxh s ARG 90 Ca 0.35 -1.04 0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1bxh s ARG 90 Cb 0.01 -1.50 -0.03 0.00 0.52 0.00 0.00 34.95 33.95 1bxh s ARG 90 CO 0.24 0.37 -0.11 0.14 0.02 0.00 0.00 175.30 175.96 1bxh s VAL 91 N -0.94 3.29 0.32 3.52 -7.23 -1.26 -1.49 120.40 116.61 1bxh s VAL 91 Ca 0.07 -1.02 -0.17 0.00 -1.81 0.00 0.00 61.98 59.05 1bxh s VAL 91 Cb -0.09 -2.44 0.07 0.00 0.56 0.00 0.00 36.38 34.47 1bxh s VAL 91 CO 0.03 0.31 0.87 0.61 -0.31 0.00 0.00 175.10 176.62 1bxh n GLY 92 N 1.37 0.85 3.29 2.32 0.00 -0.45 -1.07 105.19 111.50 1bxh n GLY 92 Ca -0.15 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1bxh n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxh s LEU 93 N 0.00 2.05 0.05 0.99 1.43 0.07 -0.79 118.68 122.48 1bxh s LEU 93 Ca 0.18 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1bxh s LEU 93 Cb -0.04 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1bxh s LEU 93 CO 0.10 0.30 -0.08 -0.55 0.23 0.00 0.00 176.35 176.35 1bxh s SER 94 N -0.59 0.96 0.20 2.29 0.15 0.77 -1.17 113.70 116.31 1bxh s SER 94 Ca 0.10 -0.60 -0.16 0.00 0.70 0.00 0.00 55.95 55.99 1bxh s SER 94 Cb -0.10 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.27 1bxh s SER 94 CO -0.01 -0.22 0.49 0.00 1.20 0.00 0.00 173.24 174.71 1bxh s ALA 95 N -1.57 -0.71 0.31 5.45 0.00 -0.74 0.42 121.76 124.92 1bxh s ALA 95 Ca -0.07 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 1bxh s ALA 95 Cb -0.09 0.88 0.03 0.00 0.00 0.00 0.00 23.12 23.94 1bxh s ALA 95 CO 0.00 -0.80 0.73 -1.54 0.00 0.00 0.00 175.76 174.15 1bxh s SER 96 N -2.91 -0.18 0.04 0.00 1.04 -1.10 -2.08 113.70 108.50 1bxh s SER 96 Ca 0.12 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 55.70 1bxh s SER 96 Cb -0.01 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1bxh s SER 96 CO -0.00 -1.43 0.20 0.42 0.98 0.00 0.00 173.24 173.41 1bxh s THR 97 N -3.51 0.11 0.00 2.02 -4.23 -0.13 -0.72 115.64 109.17 1bxh s THR 97 Ca 0.13 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1bxh s THR 97 Cb -0.06 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1bxh s THR 97 CO 0.08 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1bxh n GLY 98 N 0.71 3.10 0.32 3.99 0.00 -1.26 -2.09 105.19 109.96 1bxh n GLY 98 Ca -0.19 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 1bxh n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bxh h LEU 99 N 0.00 1.06 -9.98 0.99 5.85 -1.98 -0.98 115.31 110.28 1bxh h LEU 99 Ca 0.00 -0.26 -0.54 0.00 0.84 0.00 0.00 57.88 57.92 1bxh h LEU 99 Cb 0.00 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1bxh h LEU 99 CO 0.00 1.06 -0.49 -0.31 -0.34 0.00 0.00 178.44 178.36 1bxh s TYR 100 N -5.18 3.37 0.19 1.25 2.02 -1.26 -4.89 117.35 112.86 1bxh s TYR 100 Ca -0.12 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1bxh s TYR 100 Cb 0.14 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1bxh s TYR 100 CO 0.85 0.51 0.11 0.36 -1.57 0.00 0.00 175.55 175.81 1bxh n LYS 101 N -0.62 0.49 -3.61 -0.62 0.00 -1.26 -4.47 118.16 108.08 1bxh n LYS 101 Ca -0.08 -1.76 0.00 0.00 -0.00 0.00 0.00 58.31 56.48 1bxh n LYS 101 Cb 0.55 1.19 -0.01 0.00 -0.00 0.00 0.00 35.03 36.76 1bxh n LYS 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1bxh s GLU 102 N -2.76 0.32 0.15 -1.58 -1.05 -1.10 -3.18 118.70 109.50 1bxh s GLU 102 Ca 0.16 -0.16 -0.13 0.00 -0.15 0.00 0.00 54.97 54.69 1bxh s GLU 102 Cb 0.01 0.11 -0.07 0.00 -0.44 0.00 0.00 34.13 33.74 1bxh s GLU 102 CO 0.11 -0.14 0.52 0.95 0.95 0.00 0.00 175.26 177.65 1bxh s THR 103 N -2.36 4.91 -0.58 1.83 -4.23 -0.01 -4.69 115.64 110.52 1bxh s THR 103 Ca 0.13 0.70 0.06 0.00 -1.18 0.00 0.00 61.69 61.40 1bxh s THR 103 Cb 0.04 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.45 1bxh s THR 103 CO -0.04 0.20 0.75 0.59 -0.54 0.00 0.00 174.62 175.58 1bxh n ASN 104 N 0.66 3.26 -4.71 3.99 4.13 -1.26 -3.54 115.26 117.79 1bxh n ASN 104 Ca -0.05 -3.37 -0.40 0.00 1.68 0.00 0.00 54.58 52.45 1bxh n ASN 104 Cb 0.52 -0.64 -0.05 0.00 -1.54 0.00 0.00 39.78 38.07 1bxh n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1bxh s THR 105 N -2.67 5.05 -0.24 3.41 2.01 -1.13 -2.10 115.64 119.97 1bxh s THR 105 Ca 0.41 1.42 -0.06 0.00 0.31 0.00 0.00 61.69 63.77 1bxh s THR 105 Cb 0.19 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1bxh s THR 105 CO -0.05 0.24 0.02 -0.63 -0.69 0.00 0.00 174.62 173.51 1bxh s ILE 106 N 0.88 3.93 -0.14 1.82 -1.09 0.75 -0.64 121.20 126.71 1bxh s ILE 106 Ca 0.37 -0.30 0.18 0.00 -2.23 0.00 0.00 60.65 58.66 1bxh s ILE 106 Cb -0.17 -2.82 -0.12 0.00 -1.58 0.00 0.00 42.46 37.77 1bxh s ILE 106 CO 0.17 0.37 0.84 0.18 -1.23 0.00 0.00 174.94 175.28 1bxh n LEU 107 N 4.87 0.83 -3.52 2.97 4.32 -0.42 -1.36 117.00 124.70 1bxh n LEU 107 Ca -0.17 0.36 -0.09 0.00 -0.02 0.00 0.00 56.01 56.09 1bxh n LEU 107 Cb 0.51 0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.34 1bxh n LEU 107 CO 0.30 0.09 0.69 -0.94 -1.22 0.00 0.00 177.39 176.31 1bxh s SER 108 N -5.68 -0.38 -0.26 -1.43 1.04 -1.23 -4.52 113.70 101.22 1bxh s SER 108 Ca -0.03 0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.37 1bxh s SER 108 Cb 0.09 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.67 1bxh s SER 108 CO 0.81 -0.57 0.63 0.86 0.98 0.00 0.00 173.24 175.94 1bxh s TRP 109 N -2.66 -1.01 0.09 5.02 -0.00 0.00 -1.87 118.94 118.52 1bxh s TRP 109 Ca 0.03 1.99 0.03 0.00 -0.00 0.00 0.00 56.10 58.15 1bxh s TRP 109 Cb -0.01 0.58 -0.04 0.00 -0.00 0.00 0.00 33.47 34.01 1bxh s TRP 109 CO -0.06 -0.51 -0.09 -1.54 -0.00 0.00 0.00 176.95 174.74 1bxh s SER 110 N 1.74 1.36 -0.11 5.86 1.04 0.75 -0.33 113.70 124.02 1bxh s SER 110 Ca -0.09 -0.81 -0.10 0.00 0.48 0.00 0.00 55.95 55.43 1bxh s SER 110 Cb -0.06 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.10 1bxh s SER 110 CO -0.18 -0.28 0.28 0.12 0.98 0.00 0.00 173.24 174.16 1bxh s PHE 111 N -2.46 -0.31 -0.02 5.02 5.36 -0.44 -1.43 117.98 123.69 1bxh s PHE 111 Ca 0.05 0.76 0.01 0.00 -0.96 0.00 0.00 56.93 56.79 1bxh s PHE 111 Cb -0.03 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.77 1bxh s PHE 111 CO -0.00 -0.15 -0.04 0.99 -1.46 0.00 0.00 175.22 174.55 1bxh s THR 112 N 0.16 0.40 -0.00 0.12 2.01 0.49 -2.04 115.64 116.79 1bxh s THR 112 Ca -0.00 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1bxh s THR 112 Cb -0.02 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1bxh s THR 112 CO 0.00 0.15 -0.06 -0.55 -0.69 0.00 0.00 174.62 173.47 1bxh s SER 113 N 0.28 0.73 -0.02 3.53 0.15 0.04 -0.87 113.70 117.55 1bxh s SER 113 Ca -0.03 -0.15 -0.02 0.00 0.70 0.00 0.00 55.95 56.46 1bxh s SER 113 Cb -0.07 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1bxh s SER 113 CO -0.00 0.05 0.05 -0.54 1.20 0.00 0.00 173.24 174.00 1bxh s LYS 114 N -0.26 0.06 -0.15 5.44 1.02 -0.26 -1.16 119.74 124.43 1bxh s LYS 114 Ca 0.01 0.07 -0.00 0.00 0.02 0.00 0.00 55.97 56.07 1bxh s LYS 114 Cb -0.03 0.03 0.04 0.00 -0.52 0.00 0.00 37.83 37.34 1bxh s LYS 114 CO -0.00 -0.01 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.85 1bxh s LEU 115 N 0.03 1.51 -0.29 3.17 1.43 0.02 -1.61 118.68 122.95 1bxh s LEU 115 Ca -0.00 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1bxh s LEU 115 Cb -0.00 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1bxh s LEU 115 CO 0.00 -0.16 0.21 -0.54 0.23 0.00 0.00 176.35 176.10 1bxh s LYS 116 N 1.64 3.88 0.57 1.70 -0.14 0.77 -1.05 119.74 127.11 1bxh s LYS 116 Ca 0.02 -0.34 0.08 0.00 -1.36 0.00 0.00 55.97 54.37 1bxh s LYS 116 Cb -0.14 -3.68 0.08 0.00 -1.68 0.00 0.00 37.83 32.40 1bxh s LYS 116 CO -0.08 -0.23 0.79 0.45 -0.76 0.00 0.00 175.35 175.52 1bxh s SER 117 N 1.75 5.09 -0.86 2.83 0.15 -1.00 0.34 113.70 121.99 1bxh s SER 117 Ca 0.08 -0.73 -0.22 0.00 0.70 0.00 0.00 55.95 55.78 1bxh s SER 117 Cb -0.16 0.13 -0.14 0.00 -1.71 0.00 0.00 66.02 64.13 1bxh s SER 117 CO 0.11 -1.33 1.93 0.59 1.20 0.00 0.00 173.24 175.74 1bxh n ASN 118 N -2.26 2.67 -3.62 5.45 4.13 -1.20 -4.66 115.26 115.76 1bxh n ASN 118 Ca 0.15 -2.69 -0.02 0.00 1.68 0.00 0.00 54.58 53.70 1bxh n ASN 118 Cb 0.61 -1.25 -0.00 0.00 -1.54 0.00 0.00 39.78 37.60 1bxh n ASN 118 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1bxh s SER 119 N 5.29 -0.10 -0.11 6.41 0.01 -1.26 -5.09 113.70 118.84 1bxh s SER 119 Ca 0.60 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 57.14 1bxh s SER 119 Cb 0.11 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.73 1bxh s SER 119 CO 0.12 -0.79 1.36 0.42 0.41 0.00 0.00 173.24 174.75 1bxh s THR 120 N -2.78 4.07 -1.35 1.44 -4.23 -1.26 -3.74 115.64 107.79 1bxh s THR 120 Ca 0.16 1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 61.97 1bxh s THR 120 Cb -0.00 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.00 1bxh s THR 120 CO 0.02 -0.09 0.04 1.57 -0.54 0.00 0.00 174.62 175.62 1bxh n HIS 121 N 6.47 -1.07 -3.38 3.99 -0.00 -1.26 -4.85 115.22 115.11 1bxh n HIS 121 Ca 0.14 0.53 -0.41 0.00 -0.00 0.00 0.00 57.72 57.98 1bxh n HIS 121 Cb 0.44 -2.33 -0.02 0.00 -0.00 0.00 0.00 29.99 28.08 1bxh n HIS 121 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1bxh n GLU 122 N -4.03 3.36 -4.18 1.57 -0.58 -1.24 -5.03 120.64 110.50 1bxh n GLU 122 Ca -0.25 -4.50 -0.35 0.00 -0.42 0.00 0.00 57.16 51.64 1bxh n GLU 122 Cb 0.58 -2.48 -0.08 0.00 -0.57 0.00 0.00 31.44 28.89 1bxh n GLU 122 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1bxh s THR 123 N -1.68 4.69 -0.12 2.62 2.01 -1.26 -2.39 115.64 119.51 1bxh s THR 123 Ca 0.30 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 1bxh s THR 123 Cb -0.05 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 1bxh s THR 123 CO -0.06 0.53 -0.10 0.20 -0.69 0.00 0.00 174.62 174.51 1bxh s ASN 124 N -1.17 4.30 0.09 3.53 -0.87 -0.22 -4.95 114.94 115.65 1bxh s ASN 124 Ca 0.16 -0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.25 1bxh s ASN 124 Cb -0.12 -1.54 -0.04 0.00 -0.02 0.00 0.00 41.25 39.53 1bxh s ASN 124 CO 0.06 0.20 -0.08 0.00 -2.57 0.00 0.00 177.10 174.72 1bxh s ALA 125 N 0.13 0.93 -0.02 0.60 0.00 -1.26 -0.80 121.76 121.34 1bxh s ALA 125 Ca -0.05 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.73 1bxh s ALA 125 Cb -0.14 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1bxh s ALA 125 CO 0.04 -0.13 0.04 -1.17 0.00 0.00 0.00 175.76 174.54 1bxh s LEU 126 N -2.57 1.18 -0.09 0.00 2.96 -0.31 -4.99 118.68 114.85 1bxh s LEU 126 Ca 0.05 0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1bxh s LEU 126 Cb -0.00 0.01 0.03 0.00 0.50 0.00 0.00 46.19 46.73 1bxh s LEU 126 CO -0.02 -0.11 0.23 -2.28 -1.32 0.00 0.00 176.35 172.85 1bxh s HIS 127 N 0.90 -0.28 0.00 5.38 5.65 -1.26 -0.78 115.29 124.91 1bxh s HIS 127 Ca -0.07 0.67 -0.05 0.00 0.25 0.00 0.00 55.06 55.86 1bxh s HIS 127 Cb -0.11 0.07 -0.00 0.00 -1.18 0.00 0.00 32.58 31.36 1bxh s HIS 127 CO -0.03 -0.16 0.08 -0.59 -0.65 0.00 0.00 174.74 173.40 1bxh s PHE 128 N 0.51 0.08 -0.04 3.88 -0.12 -0.87 -5.01 117.98 116.42 1bxh s PHE 128 Ca -0.03 -0.19 -0.02 0.00 -0.05 0.00 0.00 56.93 56.63 1bxh s PHE 128 Cb -0.05 -0.08 0.03 0.00 -0.63 0.00 0.00 43.02 42.30 1bxh s PHE 128 CO -0.03 -0.23 0.07 1.41 -0.05 0.00 0.00 175.22 176.40 1bxh s MET 129 N -1.21 -0.06 -0.20 1.99 1.75 -1.26 -1.33 119.30 118.97 1bxh s MET 129 Ca -0.13 0.39 -0.02 0.00 -1.25 0.00 0.00 55.69 54.67 1bxh s MET 129 Cb -0.07 -0.46 -0.00 0.00 2.84 0.00 0.00 34.83 37.14 1bxh s MET 129 CO 0.01 -0.31 -0.09 -0.06 -0.65 0.00 0.00 175.02 173.92 1bxh s PHE 130 N 2.09 2.90 -0.01 4.11 0.08 0.54 -4.91 117.98 122.79 1bxh s PHE 130 Ca 0.04 -1.05 0.01 0.00 0.12 0.00 0.00 56.93 56.05 1bxh s PHE 130 Cb -0.12 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1bxh s PHE 130 CO -0.03 -0.56 0.03 0.09 -0.10 0.00 0.00 175.22 174.64 1bxh n ASN 131 N 4.61 3.77 -3.80 1.36 3.02 -1.26 -0.82 115.26 122.14 1bxh n ASN 131 Ca -0.19 -0.11 -0.17 0.00 -0.03 0.00 0.00 54.58 54.09 1bxh n ASN 131 Cb 0.51 1.04 -0.16 0.00 -0.61 0.00 0.00 39.78 40.56 1bxh n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1bxh s GLN 132 N -1.88 0.22 -0.21 3.52 2.00 -1.26 -4.70 119.66 117.35 1bxh s GLN 132 Ca -0.00 0.11 -0.04 0.00 -2.00 0.00 0.00 55.36 53.43 1bxh s GLN 132 Cb 0.01 -0.45 -0.02 0.00 0.80 0.00 0.00 33.01 33.36 1bxh s GLN 132 CO 0.05 -0.15 -0.03 -0.06 -0.50 0.00 0.00 175.29 174.60 1bxh s PHE 133 N 1.10 2.98 0.56 1.67 0.08 -0.15 -5.04 117.98 119.19 1bxh s PHE 133 Ca -0.09 -0.70 -0.00 0.00 0.12 0.00 0.00 56.93 56.26 1bxh s PHE 133 Cb -0.13 -2.08 0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1bxh s PHE 133 CO -0.02 -0.39 0.80 -1.54 -0.10 0.00 0.00 175.22 173.96 1bxh s SER 134 N 1.22 5.29 0.32 1.36 1.04 -1.26 -3.62 113.70 118.04 1bxh s SER 134 Ca 0.03 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.57 1bxh s SER 134 Cb -0.14 -1.01 0.52 0.00 0.10 0.00 0.00 66.02 65.49 1bxh s SER 134 CO -0.00 -1.15 1.98 0.50 0.98 0.00 0.00 173.24 175.55 1bxh h LYS 135 N 0.01 0.99 -2.78 4.02 3.64 -1.91 -3.23 116.57 117.30 1bxh h LYS 135 Ca -0.43 -0.06 -0.65 0.00 -1.27 0.00 0.00 60.65 58.24 1bxh h LYS 135 Cb 1.29 -0.22 -0.39 0.00 -0.41 0.00 0.00 32.23 32.50 1bxh h LYS 135 CO 0.54 0.65 -0.36 -3.47 -2.27 0.00 0.00 179.45 174.55 1bxh n ASP 136 N -4.42 3.87 -4.52 4.20 2.03 -1.26 -4.80 116.55 111.64 1bxh n ASP 136 Ca 0.08 -3.30 -0.43 0.00 0.52 0.00 0.00 54.79 51.66 1bxh n ASP 136 Cb 0.04 -0.83 -0.02 0.00 -0.72 0.00 0.00 41.12 39.58 1bxh n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bxh s GLN 137 N -1.96 3.70 0.11 -0.67 2.00 -1.22 -4.86 119.66 116.76 1bxh s GLN 137 Ca 0.32 -1.61 0.19 0.00 -2.00 0.00 0.00 55.36 52.25 1bxh s GLN 137 Cb 0.03 -5.20 0.78 0.00 0.80 0.00 0.00 33.01 29.42 1bxh s GLN 137 CO -0.08 -2.02 1.58 1.63 -0.50 0.00 0.00 175.29 175.90 1bxh n LYS 138 N 7.69 0.08 -0.30 1.67 5.02 -1.26 -2.56 118.16 128.50 1bxh n LYS 138 Ca 0.32 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 57.03 1bxh n LYS 138 Cb 0.49 -1.65 0.27 0.00 -0.02 0.00 0.00 35.03 34.12 1bxh n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1bxh n ASP 139 N -1.81 3.31 -4.30 4.39 5.68 -1.26 -4.85 116.55 117.71 1bxh n ASP 139 Ca 0.03 -1.99 -0.29 0.00 -0.50 0.00 0.00 54.79 52.03 1bxh n ASP 139 Cb 0.20 -0.40 -0.15 0.00 -1.14 0.00 0.00 41.12 39.63 1bxh n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1bxh s LEU 140 N -1.05 2.10 -0.34 -2.12 1.43 -1.06 -0.95 118.68 116.68 1bxh s LEU 140 Ca 0.41 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 1bxh s LEU 140 Cb 0.22 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 45.21 1bxh s LEU 140 CO 0.29 0.27 0.18 -0.63 0.23 0.00 0.00 176.35 176.69 1bxh s ILE 141 N -0.67 4.60 -0.14 -0.59 1.01 0.48 -4.85 121.20 121.04 1bxh s ILE 141 Ca 0.10 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1bxh s ILE 141 Cb -0.10 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1bxh s ILE 141 CO 0.00 -0.07 0.31 -0.76 0.00 0.00 0.00 174.94 174.42 1bxh s LEU 142 N 1.59 4.28 0.11 2.97 1.43 -1.26 -1.29 118.68 126.51 1bxh s LEU 142 Ca 0.03 0.58 0.09 0.00 -1.03 0.00 0.00 54.13 53.80 1bxh s LEU 142 Cb -0.18 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1bxh s LEU 142 CO 0.06 0.13 -0.22 -1.10 0.23 0.00 0.00 176.35 175.46 1bxh s GLN 143 N 0.23 1.19 6.37 1.70 -0.21 -0.30 -4.98 119.66 123.66 1bxh s GLN 143 Ca 0.18 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.34 1bxh s GLN 143 Cb -0.13 -1.50 0.00 0.00 1.00 0.00 0.00 33.01 32.38 1bxh s GLN 143 CO 0.05 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 1bxh n GLY 144 N 1.00 2.46 0.57 3.09 0.00 -1.26 -1.67 105.19 109.37 1bxh n GLY 144 Ca -0.19 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.48 1bxh n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bxh n ASP 145 N 3.58 1.65 -4.74 1.61 8.00 0.27 -4.94 116.55 121.98 1bxh n ASP 145 Ca 0.00 -2.00 -0.41 0.00 0.71 0.00 0.00 54.79 53.09 1bxh n ASP 145 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 1bxh n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bxh s ALA 146 N -1.59 3.50 0.06 2.24 0.00 -1.09 -4.26 121.76 120.62 1bxh s ALA 146 Ca 0.21 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 1bxh s ALA 146 Cb 0.11 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1bxh s ALA 146 CO 0.14 -0.49 0.05 0.95 0.00 0.00 0.00 175.76 176.41 1bxh s THR 147 N 0.16 0.19 0.28 0.00 -4.23 -0.43 -4.74 115.64 106.87 1bxh s THR 147 Ca 0.56 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.54 1bxh s THR 147 Cb -0.35 -1.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.98 1bxh s THR 147 CO 0.37 -0.88 -0.05 0.42 -0.54 0.00 0.00 174.62 173.94 1bxh s THR 148 N -3.90 1.55 0.00 3.99 -4.23 -1.26 -0.55 115.64 111.23 1bxh s THR 148 Ca 0.06 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1bxh s THR 148 Cb 0.07 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1bxh s THR 148 CO -0.10 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1bxh n GLY 149 N -0.57 3.26 3.56 3.99 0.00 -1.13 -4.57 105.19 109.73 1bxh n GLY 149 Ca -0.05 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1bxh n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxh s THR 150 N -0.07 3.01 -0.03 2.61 2.01 -1.26 -1.30 115.64 120.61 1bxh s THR 150 Ca 0.00 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1bxh s THR 150 Cb 0.00 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1bxh s THR 150 CO 0.00 -0.03 0.00 0.47 -0.69 0.00 0.00 174.62 174.37 1bxh n ASP 151 N 18.72 -3.19 -0.26 3.53 8.00 -1.26 -2.96 116.55 139.14 1bxh n ASP 151 Ca 0.47 0.01 -0.03 0.00 0.71 0.00 0.00 54.79 55.94 1bxh n ASP 151 Cb 0.43 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 1bxh n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bxh n GLY 152 N -2.76 0.61 3.88 0.44 0.00 -0.42 -4.95 105.19 101.98 1bxh n GLY 152 Ca -0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1bxh n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bxh s ASN 153 N -2.96 5.15 -0.24 1.61 0.01 -1.15 -0.97 114.94 116.39 1bxh s ASN 153 Ca 0.00 -0.65 -0.06 0.00 -0.71 0.00 0.00 52.86 51.44 1bxh s ASN 153 Cb 0.00 -0.69 -0.02 0.00 0.41 0.00 0.00 41.25 40.95 1bxh s ASN 153 CO 0.00 -0.57 0.02 -0.22 -1.51 0.00 0.00 177.10 174.82 1bxh s LEU 154 N -4.10 3.20 -0.40 0.60 2.96 -0.47 -2.85 118.68 117.61 1bxh s LEU 154 Ca 0.46 -0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 53.96 1bxh s LEU 154 Cb -0.04 -1.84 0.04 0.00 0.50 0.00 0.00 46.19 44.84 1bxh s LEU 154 CO 0.28 -0.03 0.27 -1.61 -1.32 0.00 0.00 176.35 173.94 1bxh s GLU 155 N 1.54 2.87 0.08 1.98 0.41 0.28 -0.18 118.70 125.68 1bxh s GLU 155 Ca 0.06 -1.14 -0.17 0.00 -0.41 0.00 0.00 54.97 53.31 1bxh s GLU 155 Cb -0.15 -3.87 -0.10 0.00 -1.78 0.00 0.00 34.13 28.23 1bxh s GLU 155 CO 0.01 -0.79 1.40 -0.07 -0.49 0.00 0.00 175.26 175.32 1bxh h LEU 156 N 8.54 0.60 -9.82 1.80 3.38 -1.69 -1.13 115.31 116.99 1bxh h LEU 156 Ca -0.26 -0.46 -0.53 0.00 0.09 0.00 0.00 57.88 56.72 1bxh h LEU 156 Cb 1.11 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1bxh h LEU 156 CO 0.73 0.93 -0.54 0.42 0.09 0.00 0.00 178.44 180.07 1bxh s THR 157 N -4.40 3.66 0.31 0.22 -4.23 -1.26 -2.68 115.64 107.27 1bxh s THR 157 Ca -0.13 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 58.49 1bxh s THR 157 Cb 0.07 -3.11 -0.11 0.00 1.34 0.00 0.00 72.50 70.69 1bxh s THR 157 CO 0.80 -0.28 1.52 -0.60 -0.54 0.00 0.00 174.62 175.51 1bxh s ARG 158 N -3.83 4.16 -0.05 3.99 3.52 -1.26 -4.79 118.95 120.69 1bxh s ARG 158 Ca 0.35 2.51 -0.00 0.00 -0.13 0.00 0.00 55.73 58.46 1bxh s ARG 158 Cb -0.06 -3.02 0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1bxh s ARG 158 CO 0.23 -0.54 -0.01 0.08 -0.81 0.00 0.00 175.30 174.25 1bxh s VAL 159 N -0.41 0.36 0.72 7.11 1.01 -1.26 -2.00 120.40 125.92 1bxh s VAL 159 Ca 0.59 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 1bxh s VAL 159 Cb -0.46 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.49 1bxh s VAL 159 CO 0.52 0.22 1.16 -0.94 0.00 0.00 0.00 175.10 176.06 1bxh s SER 160 N 1.41 4.46 0.45 3.32 1.04 -0.00 -4.82 113.70 119.55 1bxh s SER 160 Ca -0.04 2.20 0.26 0.00 0.48 0.00 0.00 55.95 58.85 1bxh s SER 160 Cb -0.13 -2.57 1.28 0.00 0.10 0.00 0.00 66.02 64.70 1bxh s SER 160 CO -0.03 -2.08 1.77 0.77 0.98 0.00 0.00 173.24 174.65 1bxh h SER 161 N -0.30 0.28 1.09 7.02 4.64 -2.01 1.05 113.55 125.32 1bxh h SER 161 Ca -0.47 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1bxh h SER 161 Cb 1.27 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1bxh h SER 161 CO 0.51 0.03 0.00 -0.55 -0.87 0.00 0.00 176.83 175.95 1bxh h ASN 162 N 0.23 0.00 0.00 4.97 7.08 -2.05 -3.46 115.58 122.35 1bxh h ASN 162 Ca 0.61 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.83 1bxh h ASN 162 Cb 1.87 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.11 1bxh h ASN 162 CO -0.22 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.74 1bxh n GLY 163 N 0.19 0.81 3.78 9.14 0.00 0.36 -5.11 105.19 114.37 1bxh n GLY 163 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1bxh n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bxh s SER 164 N -1.57 7.08 0.73 1.61 1.04 -1.24 -4.76 113.70 116.59 1bxh s SER 164 Ca 0.00 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.58 1bxh s SER 164 Cb 0.00 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.77 1bxh s SER 164 CO 0.00 0.19 1.15 -2.16 0.98 0.00 0.00 173.24 173.40 1bxh s PRO 165 N -0.71 2.24 0.13 4.02 0.04 -1.26 -0.82 135.00 138.64 1bxh s PRO 165 Ca 0.31 1.54 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1bxh s PRO 165 Cb -0.20 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1bxh s PRO 165 CO 0.20 -1.71 -0.05 -0.65 0.04 0.00 0.00 177.00 174.83 1bxh s GLN 166 N -4.18 2.30 0.67 4.56 -1.52 -0.85 -4.83 119.66 115.81 1bxh s GLN 166 Ca 0.69 -1.03 -0.02 0.00 -1.95 0.00 0.00 55.36 53.06 1bxh s GLN 166 Cb -0.24 -2.36 0.08 0.00 -0.22 0.00 0.00 33.01 30.27 1bxh s GLN 166 CO 0.47 0.49 0.93 0.20 -0.25 0.00 0.00 175.29 177.13 1bxh s GLY 167 N -2.51 1.77 -1.45 3.09 0.00 -1.26 -4.40 107.32 102.56 1bxh s GLY 167 Ca 0.25 -1.43 -0.08 0.00 0.00 0.00 0.00 44.72 43.46 1bxh s GLY 167 CO 0.16 -0.98 0.82 1.44 0.00 0.00 0.00 173.10 174.54 1bxh n SER 168 N -2.71 -2.98 -4.39 1.64 7.64 -0.37 -4.88 113.62 107.57 1bxh n SER 168 Ca 0.11 -0.83 -0.29 0.00 1.01 0.00 0.00 58.87 58.88 1bxh n SER 168 Cb 0.60 -3.81 -0.13 0.00 -1.01 0.00 0.00 64.21 59.87 1bxh n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bxh s SER 169 N -3.79 3.31 -0.12 6.43 0.15 -1.07 -4.95 113.70 113.66 1bxh s SER 169 Ca 0.37 -0.76 -0.07 0.00 0.70 0.00 0.00 55.95 56.18 1bxh s SER 169 Cb -0.18 -0.22 0.04 0.00 -1.71 0.00 0.00 66.02 63.95 1bxh s SER 169 CO 0.83 0.17 0.28 0.54 1.20 0.00 0.00 173.24 176.27 1bxh s VAL 170 N -1.14 -0.03 0.06 4.45 0.11 -1.26 -0.96 120.40 121.63 1bxh s VAL 170 Ca 0.15 0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.19 1bxh s VAL 170 Cb -0.10 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1bxh s VAL 170 CO 0.06 0.04 0.25 -0.83 -3.33 0.00 0.00 175.10 171.30 1bxh s GLY 171 N 1.04 -0.04 0.06 6.54 0.00 -0.88 -0.57 107.32 113.47 1bxh s GLY 171 Ca -0.07 -0.22 -0.10 0.00 0.00 0.00 0.00 44.72 44.33 1bxh s GLY 171 CO -0.07 -0.42 0.21 0.50 0.00 0.00 0.00 173.10 173.32 1bxh s ARG 172 N -2.88 0.77 -0.07 2.90 0.52 -0.67 -1.79 118.95 117.72 1bxh s ARG 172 Ca -0.03 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.42 1bxh s ARG 172 Cb 0.00 0.32 0.04 0.00 0.52 0.00 0.00 34.95 35.83 1bxh s ARG 172 CO -0.06 -0.24 0.11 0.00 0.02 0.00 0.00 175.30 175.14 1bxh s ALA 173 N -3.07 0.05 0.04 2.13 0.00 -0.31 -1.15 121.76 119.45 1bxh s ALA 173 Ca -0.01 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.36 1bxh s ALA 173 Cb 0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1bxh s ALA 173 CO -0.07 -0.56 -0.19 -0.51 0.00 0.00 0.00 175.76 174.43 1bxh s LEU 174 N 2.23 2.55 0.25 0.00 1.02 -0.41 -0.75 118.68 123.57 1bxh s LEU 174 Ca 0.04 -0.44 -0.30 0.00 0.02 0.00 0.00 54.13 53.46 1bxh s LEU 174 Cb -0.12 -1.49 -0.09 0.00 0.02 0.00 0.00 46.19 44.51 1bxh s LEU 174 CO -0.05 0.26 1.28 0.12 0.02 0.00 0.00 176.35 177.98 1bxh s PHE 175 N -0.90 3.24 0.15 0.29 5.36 -0.23 -0.39 117.98 125.51 1bxh s PHE 175 Ca 0.14 1.35 -0.17 0.00 -0.96 0.00 0.00 56.93 57.29 1bxh s PHE 175 Cb -0.10 -3.58 0.05 0.00 -0.34 0.00 0.00 43.02 39.05 1bxh s PHE 175 CO 0.05 -1.67 1.71 -0.92 -1.46 0.00 0.00 175.22 172.93 1bxh h TYR 176 N 4.53 0.02 -3.76 10.12 3.20 -1.38 -3.43 116.97 126.27 1bxh h TYR 176 Ca -0.46 0.02 -0.50 0.00 3.14 0.00 0.00 58.73 60.93 1bxh h TYR 176 Cb 1.22 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1bxh h TYR 176 CO 0.60 -0.04 0.39 0.00 -1.64 0.00 0.00 178.16 177.47 1bxh s ALA 177 N -6.18 3.36 0.55 1.82 0.00 -1.26 -5.03 121.76 115.02 1bxh s ALA 177 Ca -0.13 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 1bxh s ALA 177 Cb 0.12 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1bxh s ALA 177 CO 0.70 0.07 1.17 -2.14 0.00 0.00 0.00 175.76 175.56 1bxh s PRO 178 N -1.24 3.27 -0.10 0.00 0.02 -1.26 -4.81 135.00 130.87 1bxh s PRO 178 Ca 0.42 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1bxh s PRO 178 Cb -0.28 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.19 1bxh s PRO 178 CO 0.35 -0.94 -0.10 0.08 -0.33 0.00 0.00 177.00 176.05 1bxh s VAL 179 N -1.67 3.34 -0.85 3.83 1.01 0.11 -4.93 120.40 121.24 1bxh s VAL 179 Ca 0.73 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1bxh s VAL 179 Cb -0.27 -2.39 0.09 0.00 0.00 0.00 0.00 36.38 33.81 1bxh s VAL 179 CO 0.30 0.55 1.13 -2.28 0.00 0.00 0.00 175.10 174.80 1bxh s HIS 180 N -0.12 2.84 -0.17 5.22 2.46 -1.26 -1.50 115.29 122.77 1bxh s HIS 180 Ca -0.00 -0.97 0.23 0.00 0.47 0.00 0.00 55.06 54.79 1bxh s HIS 180 Cb -0.13 -4.36 0.54 0.00 -0.13 0.00 0.00 32.58 28.49 1bxh s HIS 180 CO 0.03 -1.64 1.67 0.97 -2.47 0.00 0.00 174.74 173.30 1bxh h ILE 181 N 6.04 0.34 -2.35 0.89 6.09 -1.72 -3.47 117.51 123.32 1bxh h ILE 181 Ca -0.00 -1.27 0.12 0.00 -1.37 0.00 0.00 64.86 62.34 1bxh h ILE 181 Cb 1.04 1.99 -0.13 0.00 0.47 0.00 0.00 36.82 40.19 1bxh h ILE 181 CO 1.19 0.17 0.47 -1.66 -3.07 0.00 0.00 178.15 175.25 1bxh s TRP 182 N -3.30 -0.30 -0.13 2.19 1.48 -1.24 -4.81 118.94 112.83 1bxh s TRP 182 Ca 0.04 0.11 -0.14 0.00 -1.06 0.00 0.00 56.10 55.06 1bxh s TRP 182 Cb 0.07 0.57 0.04 0.00 -1.16 0.00 0.00 33.47 32.99 1bxh s TRP 182 CO 0.66 -0.65 0.38 -2.00 -4.06 0.00 0.00 176.95 171.29 1bxh s GLU 183 N -3.21 0.48 0.22 3.25 2.12 -1.26 -4.75 118.70 115.54 1bxh s GLU 183 Ca 0.07 0.47 -0.14 0.00 0.36 0.00 0.00 54.97 55.72 1bxh s GLU 183 Cb -0.01 0.23 0.25 0.00 0.26 0.00 0.00 34.13 34.86 1bxh s GLU 183 CO -0.06 -0.07 1.61 0.66 -0.54 0.00 0.00 175.26 176.86 1bxh h SER 184 N 5.35 -0.75 -0.81 -1.70 4.64 -2.02 -1.42 113.55 116.84 1bxh h SER 184 Ca -0.27 0.21 -0.48 0.00 -0.47 0.00 0.00 61.79 60.78 1bxh h SER 184 Cb 1.18 0.46 -0.19 0.00 -0.31 0.00 0.00 62.40 63.54 1bxh h SER 184 CO 0.28 -0.25 0.58 -1.20 -0.87 0.00 0.00 176.83 175.37 1bxh n SER 185 N -5.46 6.88 -4.80 4.97 7.64 -1.26 -4.94 113.62 116.65 1bxh n SER 185 Ca 0.08 -3.34 -0.36 0.00 1.01 0.00 0.00 58.87 56.26 1bxh n SER 185 Cb 0.36 -1.07 -0.07 0.00 -1.01 0.00 0.00 64.21 62.42 1bxh n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bxh s ALA 186 N -2.50 3.78 -0.03 -0.43 0.00 -0.54 -3.23 121.76 118.81 1bxh s ALA 186 Ca 0.46 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.57 1bxh s ALA 186 Cb 0.35 -2.06 -0.32 0.00 0.00 0.00 0.00 23.12 21.09 1bxh s ALA 186 CO -0.07 0.39 0.87 0.28 0.00 0.00 0.00 175.76 177.24 1bxh h VAL 187 N 4.32 1.35 -2.72 0.00 2.07 -0.38 -3.47 116.25 117.43 1bxh h VAL 187 Ca -0.48 -2.57 -0.12 0.00 0.82 0.00 0.00 66.70 64.35 1bxh h VAL 187 Cb 1.19 3.07 -0.25 0.00 -1.52 0.00 0.00 31.29 33.78 1bxh h VAL 187 CO 0.67 0.75 -0.28 -0.69 0.02 0.00 0.00 177.57 178.04 1bxh s VAL 188 N -2.50 -0.01 0.01 2.57 1.01 -1.15 -4.88 120.40 115.45 1bxh s VAL 188 Ca -0.13 0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1bxh s VAL 188 Cb 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1bxh s VAL 188 CO 0.86 0.02 -0.10 0.00 0.00 0.00 0.00 175.10 175.88 1bxh s ALA 189 N 0.81 0.83 0.04 5.51 0.00 -1.26 -0.16 121.76 127.53 1bxh s ALA 189 Ca -0.05 -0.54 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 1bxh s ALA 189 Cb -0.06 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1bxh s ALA 189 CO -0.06 0.17 0.66 -1.54 0.00 0.00 0.00 175.76 174.99 1bxh s SER 190 N -0.59 -0.60 0.10 0.00 1.04 -0.63 -0.40 113.70 112.62 1bxh s SER 190 Ca 0.01 0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.79 1bxh s SER 190 Cb -0.05 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1bxh s SER 190 CO 0.00 -0.76 0.08 0.72 0.98 0.00 0.00 173.24 174.26 1bxh s PHE 191 N -2.36 0.59 -0.12 5.02 -0.12 -0.52 -1.10 117.98 119.38 1bxh s PHE 191 Ca -0.05 -1.03 -0.08 0.00 -0.05 0.00 0.00 56.93 55.72 1bxh s PHE 191 Cb -0.00 -0.33 0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1bxh s PHE 191 CO -0.01 -0.51 0.30 -2.00 -0.05 0.00 0.00 175.22 172.95 1bxh s GLU 192 N -3.97 0.30 0.02 1.99 2.12 -0.05 -2.41 118.70 116.70 1bxh s GLU 192 Ca 0.15 0.52 0.02 0.00 0.36 0.00 0.00 54.97 56.03 1bxh s GLU 192 Cb 0.07 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 1bxh s GLU 192 CO -0.04 -0.11 -0.08 0.00 -0.54 0.00 0.00 175.26 174.49 1bxh s ALA 193 N 0.79 0.63 -0.05 6.30 0.00 -0.30 -0.38 121.76 128.76 1bxh s ALA 193 Ca -0.05 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 1bxh s ALA 193 Cb -0.06 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1bxh s ALA 193 CO -0.05 0.08 0.18 0.99 0.00 0.00 0.00 175.76 176.95 1bxh s THR 194 N -0.77 0.02 -0.15 0.00 2.01 -0.51 -0.99 115.64 115.25 1bxh s THR 194 Ca -0.03 -0.20 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 1bxh s THR 194 Cb -0.06 -0.32 0.06 0.00 0.01 0.00 0.00 72.50 72.18 1bxh s THR 194 CO 0.00 -0.11 0.61 0.72 -0.69 0.00 0.00 174.62 175.15 1bxh s PHE 195 N -0.35 -0.62 -0.07 4.92 -0.71 -1.05 -0.17 117.98 119.93 1bxh s PHE 195 Ca -0.04 1.35 -0.01 0.00 -1.04 0.00 0.00 56.93 57.18 1bxh s PHE 195 Cb -0.03 0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 42.02 1bxh s PHE 195 CO 0.01 -0.42 -0.01 0.95 -1.34 0.00 0.00 175.22 174.41 1bxh s THR 196 N -0.32 4.20 0.17 -4.49 -4.23 -0.78 -1.35 115.64 108.83 1bxh s THR 196 Ca -0.05 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1bxh s THR 196 Cb -0.03 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 1bxh s THR 196 CO 0.04 0.56 -0.04 0.72 -0.54 0.00 0.00 174.62 175.36 1bxh s PHE 197 N -0.91 1.26 -0.27 3.99 -0.12 -0.21 -1.30 117.98 120.41 1bxh s PHE 197 Ca 0.14 -0.90 -0.01 0.00 -0.05 0.00 0.00 56.93 56.11 1bxh s PHE 197 Cb -0.11 -0.70 0.09 0.00 -0.63 0.00 0.00 43.02 41.67 1bxh s PHE 197 CO 0.04 -0.07 0.07 -1.17 -0.05 0.00 0.00 175.22 174.04 1bxh s LEU 198 N -3.18 1.88 -0.35 -1.99 2.96 0.18 -0.92 118.68 117.27 1bxh s LEU 198 Ca 0.21 -1.37 -0.13 0.00 -0.22 0.00 0.00 54.13 52.62 1bxh s LEU 198 Cb 0.05 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.94 1bxh s LEU 198 CO 0.03 -0.37 0.25 -0.63 -1.32 0.00 0.00 176.35 174.30 1bxh s ILE 199 N 1.69 5.24 -0.14 6.68 1.01 -1.26 -2.85 121.20 131.57 1bxh s ILE 199 Ca 0.06 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1bxh s ILE 199 Cb -0.17 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1bxh s ILE 199 CO -0.20 -0.06 -0.19 -0.75 0.00 0.00 0.00 174.94 173.74 1bxh s LYS 200 N 1.71 2.74 -0.22 2.79 2.20 -1.23 -1.50 119.74 126.23 1bxh s LYS 200 Ca 0.06 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 1bxh s LYS 200 Cb -0.18 -2.31 0.04 0.00 -1.51 0.00 0.00 37.83 33.88 1bxh s LYS 200 CO 0.10 -0.10 -0.13 0.45 -0.36 0.00 0.00 175.35 175.31 1bxh s SER 201 N 1.06 3.76 -0.06 1.43 0.15 -1.26 -0.83 113.70 117.96 1bxh s SER 201 Ca -0.02 -1.04 -0.25 0.00 0.70 0.00 0.00 55.95 55.34 1bxh s SER 201 Cb -0.14 -1.42 -0.24 0.00 -1.71 0.00 0.00 66.02 62.50 1bxh s SER 201 CO -0.06 -0.13 1.01 -0.65 1.20 0.00 0.00 173.24 174.61 1bxh h PRO 202 N 7.88 0.17 0.00 5.44 0.11 -1.95 -3.47 132.00 140.18 1bxh h PRO 202 Ca -0.29 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1bxh h PRO 202 Cb 1.08 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bxh h PRO 202 CO 0.51 0.94 0.00 -0.40 -0.21 0.00 0.00 178.00 178.84 1bxh n ASP 203 N -4.49 -0.36 0.00 -2.05 5.75 -1.26 -5.03 116.55 109.11 1bxh n ASP 203 Ca -0.10 -0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.47 1bxh n ASP 203 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1bxh n ASP 203 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1bxh n SER 204 N -1.19 0.00 -4.91 -1.12 7.64 -1.26 -4.79 113.62 107.99 1bxh n SER 204 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1bxh n SER 204 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1bxh n SER 204 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1bxh s HIS 205 N 0.00 3.48 0.42 1.43 3.76 -1.26 -5.08 115.29 118.05 1bxh s HIS 205 Ca 0.00 0.63 -0.17 0.00 -0.15 0.00 0.00 55.06 55.37 1bxh s HIS 205 Cb 0.00 -2.10 -0.09 0.00 1.11 0.00 0.00 32.58 31.50 1bxh s HIS 205 CO 0.00 0.14 0.88 -2.14 -0.85 0.00 0.00 174.74 172.77 1bxh s PRO 206 N -3.67 4.03 -0.13 8.40 0.02 -1.26 -4.27 135.00 138.12 1bxh s PRO 206 Ca 0.44 0.87 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 1bxh s PRO 206 Cb -0.11 -2.26 0.13 0.00 0.02 0.00 0.00 34.50 32.28 1bxh s PRO 206 CO 0.31 -0.05 1.02 0.00 -0.33 0.00 0.00 177.00 177.95 1bxh s ALA 207 N -2.28 -1.93 -0.02 -1.55 0.00 -1.19 -4.01 121.76 110.77 1bxh s ALA 207 Ca 0.58 1.47 0.13 0.00 0.00 0.00 0.00 51.96 54.13 1bxh s ALA 207 Cb -0.10 -0.41 -0.19 0.00 0.00 0.00 0.00 23.12 22.42 1bxh s ALA 207 CO 0.22 -0.43 0.27 -0.25 0.00 0.00 0.00 175.76 175.56 1bxh n ASP 208 N 0.38 2.11 0.00 0.00 8.00 0.10 -2.71 116.55 124.42 1bxh n ASP 208 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1bxh n ASP 208 Cb 0.59 1.54 0.00 0.00 -0.02 0.00 0.00 41.12 43.23 1bxh n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bxh n GLY 209 N 1.80 2.34 3.31 0.44 0.00 -1.23 -2.55 105.19 109.31 1bxh n GLY 209 Ca -0.03 -1.80 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 1bxh n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxh s ILE 210 N -1.62 1.75 -0.08 -0.61 1.01 -0.74 -2.72 121.20 118.17 1bxh s ILE 210 Ca 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 60.65 58.73 1bxh s ILE 210 Cb 0.00 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.77 1bxh s ILE 210 CO 0.00 -0.25 0.34 0.00 0.00 0.00 0.00 174.94 175.03 1bxh s ALA 211 N -1.79 -0.84 -0.17 9.38 0.00 0.17 0.33 121.76 128.84 1bxh s ALA 211 Ca 0.12 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1bxh s ALA 211 Cb -0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1bxh s ALA 211 CO 0.06 -0.21 0.19 0.12 0.00 0.00 0.00 175.76 175.91 1bxh s PHE 212 N -0.45 3.47 0.08 0.00 5.36 -0.59 -0.16 117.98 125.69 1bxh s PHE 212 Ca -0.06 0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 56.35 1bxh s PHE 212 Cb -0.04 -2.17 -0.03 0.00 -0.34 0.00 0.00 43.02 40.44 1bxh s PHE 212 CO 0.02 0.37 0.02 -0.59 -1.46 0.00 0.00 175.22 173.58 1bxh s PHE 213 N 0.09 0.55 -0.04 10.12 -0.71 0.03 -1.28 117.98 126.73 1bxh s PHE 213 Ca 0.12 -1.04 0.04 0.00 -1.04 0.00 0.00 56.93 55.01 1bxh s PHE 213 Cb -0.12 -0.36 -0.00 0.00 -1.21 0.00 0.00 43.02 41.32 1bxh s PHE 213 CO 0.01 -0.44 -0.17 0.42 -1.34 0.00 0.00 175.22 173.70 1bxh s ILE 214 N -3.94 1.43 0.36 -4.49 1.01 -0.33 -1.34 121.20 113.89 1bxh s ILE 214 Ca 0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 1bxh s ILE 214 Cb 0.07 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1bxh s ILE 214 CO -0.07 0.41 0.54 -0.94 0.00 0.00 0.00 174.94 174.87 1bxh s SER 215 N -0.01 0.80 0.55 3.58 1.04 -0.56 -2.18 113.70 116.93 1bxh s SER 215 Ca -0.03 -1.44 -0.20 0.00 0.48 0.00 0.00 55.95 54.76 1bxh s SER 215 Cb -0.11 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1bxh s SER 215 CO 0.02 -1.38 1.19 0.54 0.98 0.00 0.00 173.24 174.59 1bxh s ASN 216 N -3.22 5.51 0.30 7.02 4.22 -1.22 -1.30 114.94 126.25 1bxh s ASN 216 Ca 0.28 2.35 0.05 0.00 -2.14 0.00 0.00 52.86 53.39 1bxh s ASN 216 Cb -0.01 -2.60 0.77 0.00 1.28 0.00 0.00 41.25 40.69 1bxh s ASN 216 CO 0.19 -1.37 1.68 0.40 -2.04 0.00 0.00 177.10 175.96 1bxh h ILE 217 N 1.18 0.41 -0.55 0.54 2.04 -1.86 -2.24 117.51 117.03 1bxh h ILE 217 Ca -0.50 -0.12 -0.20 0.00 1.00 0.00 0.00 64.86 65.04 1bxh h ILE 217 Cb 1.28 0.04 -0.12 0.00 -0.74 0.00 0.00 36.82 37.28 1bxh h ILE 217 CO 0.57 0.06 0.26 -0.90 0.00 0.00 0.00 178.15 178.13 1bxh n ASP 218 N -5.09 3.78 -4.77 1.72 5.75 -1.26 -4.82 116.55 111.86 1bxh n ASP 218 Ca 0.23 -2.88 -0.39 0.00 -0.01 0.00 0.00 54.79 51.74 1bxh n ASP 218 Cb 0.71 -0.68 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1bxh n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1bxh s SER 219 N -0.52 6.39 0.18 -1.12 0.15 -0.84 -5.05 113.70 112.89 1bxh s SER 219 Ca 0.37 2.59 -0.03 0.00 0.70 0.00 0.00 55.95 59.58 1bxh s SER 219 Cb 0.30 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1bxh s SER 219 CO 0.09 -0.79 0.17 -0.94 1.20 0.00 0.00 173.24 172.97 1bxh s SER 220 N -0.80 0.15 0.06 5.45 1.04 -1.26 -5.08 113.70 113.26 1bxh s SER 220 Ca 0.56 -1.23 -0.31 0.00 0.48 0.00 0.00 55.95 55.46 1bxh s SER 220 Cb -0.37 0.39 -0.08 0.00 0.10 0.00 0.00 66.02 66.07 1bxh s SER 220 CO 0.47 -0.86 1.59 -0.63 0.98 0.00 0.00 173.24 174.79 1bxh s ILE 221 N -4.09 3.19 0.38 -1.02 1.01 -1.26 -4.98 121.20 114.43 1bxh s ILE 221 Ca 0.31 0.64 -0.26 0.00 0.00 0.00 0.00 60.65 61.33 1bxh s ILE 221 Cb 0.06 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 1bxh s ILE 221 CO 0.08 -0.00 1.23 -2.84 0.00 0.00 0.00 174.94 173.41 1bxh s PRO 222 N 2.52 4.13 0.35 2.79 0.02 -1.26 -4.95 135.00 138.60 1bxh s PRO 222 Ca 0.71 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 63.45 1bxh s PRO 222 Cb -0.38 -2.82 -0.11 0.00 0.02 0.00 0.00 34.50 31.21 1bxh s PRO 222 CO 0.31 -0.30 1.48 -1.12 -0.33 0.00 0.00 177.00 177.04 1bxh s SER 223 N -0.87 6.41 -1.17 2.53 0.01 -1.26 -2.20 113.70 117.16 1bxh s SER 223 Ca 0.54 2.97 0.00 0.00 1.31 0.00 0.00 55.95 60.78 1bxh s SER 223 Cb -0.35 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.22 1bxh s SER 223 CO 0.45 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1bxh n GLY 224 N 0.86 1.19 1.38 3.44 0.00 -1.26 -4.88 105.19 105.91 1bxh n GLY 224 Ca 0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 1bxh n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bxh n SER 225 N -0.25 3.36 -4.07 1.61 3.41 -0.94 -4.86 113.62 111.88 1bxh n SER 225 Ca -0.11 -2.49 -0.29 0.00 -0.26 0.00 0.00 58.87 55.72 1bxh n SER 225 Cb 0.42 -0.62 0.19 0.00 -0.26 0.00 0.00 64.21 63.94 1bxh n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1bxh s THR 226 N -0.99 2.00 0.00 6.66 -4.23 -1.26 -0.45 115.64 117.38 1bxh s THR 226 Ca 0.17 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1bxh s THR 226 Cb 0.14 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1bxh s THR 226 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1bxh n GLY 227 N -3.75 2.84 0.39 3.99 0.00 -0.89 -3.22 105.19 104.54 1bxh n GLY 227 Ca 0.16 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 46.01 1bxh n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bxh h ARG 228 N 0.00 0.00 -0.00 1.61 0.11 -1.91 -2.00 114.38 112.18 1bxh h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bxh h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1bxh h ARG 228 CO 0.00 0.00 -0.06 1.28 0.10 0.00 0.00 179.97 181.29 1bxh n LEU 229 N -3.38 0.26 -1.99 0.08 4.77 -1.20 -4.93 117.00 110.61 1bxh n LEU 229 Ca 0.06 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 1bxh n LEU 229 Cb 0.67 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1bxh n LEU 229 CO 0.22 0.05 -0.13 0.18 -1.33 0.00 0.00 177.39 176.37 1bxh n LEU 230 N -1.08 -0.99 -1.24 2.23 4.77 -0.75 -1.21 117.00 118.72 1bxh n LEU 230 Ca 0.15 0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 56.21 1bxh n LEU 230 Cb 0.25 -1.98 -0.07 0.00 -2.33 0.00 0.00 43.42 39.29 1bxh n LEU 230 CO 0.23 -0.32 -0.15 0.61 -1.33 0.00 0.00 177.39 176.42 1bxh n GLY 231 N -0.55 1.61 0.02 -0.72 0.00 0.41 -4.20 105.19 101.74 1bxh n GLY 231 Ca -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 1bxh n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bxh n LEU 232 N -1.83 1.61 -4.38 0.99 4.77 -0.35 -4.54 117.00 113.27 1bxh n LEU 232 Ca -0.16 -0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.50 1bxh n LEU 232 Cb 0.55 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1bxh n LEU 232 CO 0.25 0.35 -0.55 -0.36 -1.33 0.00 0.00 177.39 175.74 1bxh s PHE 233 N -2.09 2.38 0.29 -1.77 0.08 -1.15 -4.82 117.98 110.90 1bxh s PHE 233 Ca -0.04 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 56.72 1bxh s PHE 233 Cb 0.01 -1.39 0.43 0.00 -0.57 0.00 0.00 43.02 41.51 1bxh s PHE 233 CO 0.12 0.19 1.67 -1.00 -0.10 0.00 0.00 175.22 176.10 1bxh h PRO 234 N 4.58 0.13 0.00 0.24 0.13 -1.92 -3.43 132.00 131.74 1bxh h PRO 234 Ca -0.47 -0.07 -0.31 0.00 -0.87 0.00 0.00 66.00 64.27 1bxh h PRO 234 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 1bxh h PRO 234 CO 0.44 0.61 -0.18 -0.40 -0.23 0.00 0.00 178.00 178.23 1bxh n ASP 235 N -3.95 -1.34 -1.99 1.44 5.68 -1.26 -4.89 116.55 110.25 1bxh n ASP 235 Ca -0.02 -2.98 -0.11 0.00 -0.50 0.00 0.00 54.79 51.19 1bxh n ASP 235 Cb 0.53 2.53 0.24 0.00 -1.14 0.00 0.00 41.12 43.28 1bxh n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bxh n ALA 236 N -0.64 4.74 1.79 2.12 0.00 -1.26 -4.71 120.51 122.55 1bxh n ALA 236 Ca -0.14 -2.30 0.14 0.00 0.00 0.00 0.00 53.44 51.15 1bxh n ALA 236 Cb 0.60 -1.30 0.85 0.00 0.00 0.00 0.00 19.45 19.61 1bxh n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59