#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 5.88 -0.24 0.00 1.01 -1.26 -5.09 116.67 116.97 1bxh s ASP 2 Ca 0.00 0.08 -0.05 0.00 0.71 0.00 0.00 52.55 53.29 1bxh s ASP 2 Cb 0.00 -1.39 -0.01 0.00 1.01 0.00 0.00 42.92 42.53 1bxh s ASP 2 CO 0.00 -0.60 0.01 -0.89 0.21 0.00 0.00 175.17 173.90 1bxh s THR 3 N -2.40 3.70 -0.03 -1.27 2.01 -1.26 -5.03 115.64 111.37 1bxh s THR 3 Ca 0.47 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.07 1bxh s THR 3 Cb -0.10 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1bxh s THR 3 CO 0.35 0.34 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.80 1bxh s ILE 4 N 1.51 1.50 -0.07 1.82 -1.09 -1.26 -3.33 121.20 120.28 1bxh s ILE 4 Ca 0.05 -0.79 0.02 0.00 -2.23 0.00 0.00 60.65 57.70 1bxh s ILE 4 Cb -0.15 -1.26 0.01 0.00 -1.58 0.00 0.00 42.46 39.48 1bxh s ILE 4 CO -0.01 0.43 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.32 1bxh s VAL 5 N -0.26 1.11 0.06 2.92 1.01 -0.92 0.51 120.40 124.84 1bxh s VAL 5 Ca 0.03 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1bxh s VAL 5 Cb -0.09 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1bxh s VAL 5 CO 0.01 0.35 0.32 0.00 0.00 0.00 0.00 175.10 175.78 1bxh s ALA 6 N 0.79 -0.72 -0.22 5.51 0.00 0.34 -1.06 121.76 126.39 1bxh s ALA 6 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1bxh s ALA 6 Cb -0.15 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1bxh s ALA 6 CO 0.02 -0.45 -0.10 0.08 0.00 0.00 0.00 175.76 175.31 1bxh s VAL 7 N -2.80 2.70 -0.05 0.00 1.01 -0.33 0.63 120.40 121.55 1bxh s VAL 7 Ca -0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1bxh s VAL 7 Cb -0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1bxh s VAL 7 CO -0.05 0.33 0.04 -1.83 0.00 0.00 0.00 175.10 173.59 1bxh s GLU 8 N 1.33 3.03 -0.74 2.72 -1.05 -0.10 -1.43 118.70 122.46 1bxh s GLU 8 Ca 0.02 -0.43 -0.06 0.00 -0.15 0.00 0.00 54.97 54.36 1bxh s GLU 8 Cb -0.15 -2.84 0.19 0.00 -0.44 0.00 0.00 34.13 30.89 1bxh s GLU 8 CO -0.07 0.69 0.60 -0.51 0.95 0.00 0.00 175.26 176.92 1bxh s LEU 9 N -1.24 5.72 -0.38 1.83 1.02 0.16 -1.51 118.68 124.29 1bxh s LEU 9 Ca 0.17 -2.98 -0.24 0.00 0.02 0.00 0.00 54.13 51.11 1bxh s LEU 9 Cb -0.12 -1.97 0.01 0.00 0.02 0.00 0.00 46.19 44.14 1bxh s LEU 9 CO 0.07 -0.39 0.81 -0.62 0.02 0.00 0.00 176.35 176.24 1bxh s ASP 10 N 0.95 6.55 0.15 2.29 -1.08 0.36 -1.73 116.67 124.16 1bxh s ASP 10 Ca 0.19 0.32 0.21 0.00 -0.52 0.00 0.00 52.55 52.75 1bxh s ASP 10 Cb -0.15 -2.41 -0.06 0.00 -1.46 0.00 0.00 42.92 38.84 1bxh s ASP 10 CO -0.06 -0.79 0.95 0.35 0.52 0.00 0.00 175.17 176.14 1bxh n THR 11 N 5.89 0.75 -4.16 1.71 -2.24 -1.07 -1.27 114.28 113.89 1bxh n THR 11 Ca 0.04 -0.59 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 1bxh n THR 11 Cb 0.48 -0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 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 -3.25 2.89 -0.54 4.78 5.04 -1.24 -4.47 117.35 120.56 1bxh s TYR 12 Ca -0.02 -0.98 -0.28 0.00 -2.44 0.00 0.00 57.07 53.36 1bxh s TYR 12 Cb 0.09 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.41 1bxh s TYR 12 CO 0.80 -0.50 1.41 -2.14 -1.34 0.00 0.00 175.55 173.78 1bxh s PRO 13 N 1.16 3.35 -1.02 4.97 0.02 -1.26 -4.91 135.00 137.30 1bxh s PRO 13 Ca 0.01 0.53 -0.02 0.00 0.02 0.00 0.00 61.00 61.54 1bxh s PRO 13 Cb -0.14 -4.10 0.30 0.00 0.02 0.00 0.00 34.50 30.58 1bxh s PRO 13 CO -0.03 -1.87 1.43 0.09 -0.33 0.00 0.00 177.00 176.29 1bxh n ASN 14 N 9.44 6.21 -0.17 2.53 4.13 -1.26 -4.82 115.26 131.33 1bxh n ASN 14 Ca 0.13 -3.45 0.29 0.00 1.68 0.00 0.00 54.58 53.23 1bxh n ASN 14 Cb 0.49 -1.18 0.72 0.00 -1.54 0.00 0.00 39.78 38.26 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 3.27 0.41 -0.31 3.41 1.35 -1.82 0.27 112.91 119.50 1bxh h THR 15 Ca 0.23 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.18 1bxh h THR 15 Cb 0.59 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1bxh h THR 15 CO 1.26 0.00 0.29 -2.24 -0.25 0.00 0.00 175.52 174.58 1bxh h ASP 16 N 0.00 0.00 -0.03 5.36 2.03 -1.87 -2.19 116.42 119.72 1bxh h ASP 16 Ca 0.42 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.72 1bxh h ASP 16 Cb 1.86 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.35 1bxh h ASP 16 CO -0.00 0.00 -0.15 2.30 -1.03 0.00 0.00 179.24 180.35 1bxh n ILE 17 N -3.95 2.03 0.00 4.15 -5.35 0.95 -4.98 119.36 112.22 1bxh n ILE 17 Ca 0.05 -2.56 0.00 0.00 -0.27 0.00 0.00 62.75 59.97 1bxh n ILE 17 Cb 0.45 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 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 -1.28 2.64 3.69 3.28 0.00 -0.82 -4.71 105.19 107.99 1bxh n GLY 18 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 2.30 -4.58 1.61 8.00 -1.17 -4.92 116.55 117.79 1bxh n ASP 19 Ca 0.00 1.05 -0.29 0.00 0.71 0.00 0.00 54.79 56.27 1bxh n ASP 19 Cb 0.00 -1.49 0.19 0.00 -0.02 0.00 0.00 41.12 39.80 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 -2.35 0.09 -1.03 -0.24 0.02 -1.26 -3.98 135.00 126.25 1bxh s PRO 20 Ca 0.64 0.44 -0.06 0.00 0.02 0.00 0.00 61.00 62.05 1bxh s PRO 20 Cb -0.49 -1.70 0.05 0.00 0.02 0.00 0.00 34.50 32.37 1bxh s PRO 20 CO 0.56 -2.94 2.67 -1.13 -0.33 0.00 0.00 177.00 175.82 1bxh n SER 21 N -4.31 7.51 0.00 2.53 3.41 -1.26 -4.59 113.62 116.91 1bxh n SER 21 Ca 0.06 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 1bxh n SER 21 Cb 0.57 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1bxh n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bxh n TYR 22 N 1.80 0.00 -1.76 7.33 0.18 -1.26 -5.01 117.16 118.44 1bxh n TYR 22 Ca 0.60 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.97 1bxh n TYR 22 Cb 0.38 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.35 1bxh n TYR 22 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 1bxh n PRO 23 N -0.12 2.37 -3.63 -3.48 -0.02 -1.26 -4.60 135.00 124.26 1bxh n PRO 23 Ca 0.00 0.84 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1bxh n PRO 23 Cb 0.00 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 30.82 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 -1.17 -0.32 0.01 6.00 -3.43 -0.40 -1.35 115.29 114.63 1bxh s HIS 24 Ca 0.59 0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.91 1bxh s HIS 24 Cb -0.46 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.21 1bxh s HIS 24 CO 0.59 -0.97 -0.16 0.96 -2.00 0.00 0.00 174.74 173.17 1bxh s ILE 25 N -3.83 2.95 0.21 -5.38 -4.36 -0.76 -0.49 121.20 109.54 1bxh s ILE 25 Ca 0.06 -1.01 -0.09 0.00 -0.26 0.00 0.00 60.65 59.35 1bxh s ILE 25 Cb -0.02 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 1bxh s ILE 25 CO -0.05 0.41 0.33 -0.83 0.24 0.00 0.00 174.94 175.05 1bxh s GLY 26 N -1.24 0.72 -0.27 6.27 0.00 -0.57 -1.26 107.32 110.97 1bxh s GLY 26 Ca 0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.77 1bxh s GLY 26 CO 0.04 -0.87 -0.01 -0.42 0.00 0.00 0.00 173.10 171.84 1bxh s ILE 27 N -4.03 3.19 -0.25 0.90 1.01 -0.72 -0.92 121.20 120.37 1bxh s ILE 27 Ca 0.24 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 1bxh s ILE 27 Cb 0.02 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1bxh s ILE 27 CO 0.07 0.11 0.11 -1.81 0.00 0.00 0.00 174.94 173.41 1bxh s ASP 28 N 1.36 5.45 -0.42 3.58 1.01 0.21 -1.28 116.67 126.57 1bxh s ASP 28 Ca -0.00 -0.12 -0.06 0.00 0.71 0.00 0.00 52.55 53.07 1bxh s ASP 28 Cb -0.17 -1.99 0.10 0.00 1.01 0.00 0.00 42.92 41.87 1bxh s ASP 28 CO -0.02 -0.03 0.24 -0.63 0.21 0.00 0.00 175.17 174.95 1bxh s ILE 29 N 1.58 3.73 -1.77 0.77 -1.09 -1.26 -0.51 121.20 122.65 1bxh s ILE 29 Ca 0.06 -1.80 0.00 0.00 -2.23 0.00 0.00 60.65 56.69 1bxh s ILE 29 Cb -0.15 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1bxh s ILE 29 CO 0.06 -0.64 0.00 0.29 -1.23 0.00 0.00 174.94 173.42 1bxh n LYS 30 N 4.76 -1.38 -3.64 2.79 5.02 0.18 -4.92 118.16 120.97 1bxh n LYS 30 Ca -0.06 0.99 -0.11 0.00 -2.02 0.00 0.00 58.31 57.11 1bxh n LYS 30 Cb 0.42 -5.31 -0.07 0.00 -0.02 0.00 0.00 35.03 30.05 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 -2.41 -0.61 0.03 4.39 0.15 -1.26 -4.94 113.70 109.04 1bxh s SER 31 Ca 0.00 1.16 0.12 0.00 0.70 0.00 0.00 55.95 57.92 1bxh s SER 31 Cb 0.00 1.18 0.51 0.00 -1.71 0.00 0.00 66.02 66.00 1bxh s SER 31 CO 0.00 -0.20 1.38 0.55 1.20 0.00 0.00 173.24 176.17 1bxh n VAL 32 N 2.63 1.23 -2.86 4.45 3.14 -1.26 -4.12 118.33 121.54 1bxh n VAL 32 Ca -0.14 0.32 -0.43 0.00 -2.96 0.00 0.00 64.34 61.13 1bxh n VAL 32 Cb 0.56 -1.15 -0.03 0.00 -1.06 0.00 0.00 33.84 32.16 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 -3.04 3.60 0.06 1.45 0.52 -1.26 -4.97 118.95 115.31 1bxh s ARG 33 Ca 0.05 -1.64 -0.37 0.00 -0.52 0.00 0.00 55.73 53.25 1bxh s ARG 33 Cb 0.07 -5.00 -0.18 0.00 0.52 0.00 0.00 34.95 30.36 1bxh s ARG 33 CO 0.21 -1.85 1.13 0.43 0.02 0.00 0.00 175.30 175.23 1bxh n SER 34 N 6.98 0.60 0.27 0.23 7.64 -1.26 -4.83 113.62 123.25 1bxh n SER 34 Ca 0.26 1.14 0.16 0.00 1.01 0.00 0.00 58.87 61.44 1bxh n SER 34 Cb 0.49 -1.05 0.71 0.00 -1.01 0.00 0.00 64.21 63.36 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 3.40 0.00 -1.86 1.43 1.79 -1.52 -3.44 116.57 116.37 1bxh h LYS 35 Ca -0.47 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1bxh h LYS 35 Cb 1.39 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.81 1bxh h LYS 35 CO 0.69 0.07 0.24 0.21 -1.08 0.00 0.00 179.45 179.58 1bxh s LYS 36 N -3.81 0.72 0.31 3.15 2.20 -1.25 -5.02 119.74 116.04 1bxh s LYS 36 Ca -0.00 0.86 0.03 0.00 -0.36 0.00 0.00 55.97 56.50 1bxh s LYS 36 Cb 0.10 0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 36.72 1bxh s LYS 36 CO 0.55 -0.09 0.09 0.95 -0.36 0.00 0.00 175.35 176.50 1bxh s THR 37 N 0.37 0.78 -0.15 3.43 -4.23 -1.26 -1.76 115.64 112.82 1bxh s THR 37 Ca 0.01 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1bxh s THR 37 Cb -0.05 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.19 1bxh s THR 37 CO -0.02 0.00 0.40 0.00 -0.54 0.00 0.00 174.62 174.46 1bxh s ALA 38 N -3.48 -0.99 0.37 3.99 0.00 -0.39 -4.98 121.76 116.28 1bxh s ALA 38 Ca 0.35 1.17 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 1bxh s ALA 38 Cb 0.07 -0.69 -0.11 0.00 0.00 0.00 0.00 23.12 22.40 1bxh s ALA 38 CO 0.15 -0.20 1.43 0.21 0.00 0.00 0.00 175.76 177.35 1bxh s LYS 39 N 0.35 4.16 -0.17 0.00 2.20 -1.26 -1.84 119.74 123.18 1bxh s LYS 39 Ca -0.01 2.45 -0.01 0.00 -0.36 0.00 0.00 55.97 58.04 1bxh s LYS 39 Cb -0.03 -2.98 0.05 0.00 -1.51 0.00 0.00 37.83 33.35 1bxh s LYS 39 CO -0.01 -0.44 -0.02 -0.46 -0.36 0.00 0.00 175.35 174.06 1bxh s TRP 40 N -1.13 1.45 -1.31 4.03 -0.00 -0.46 -4.74 118.94 116.78 1bxh s TRP 40 Ca 0.52 -0.97 -0.16 0.00 -0.00 0.00 0.00 56.10 55.49 1bxh s TRP 40 Cb -0.44 -1.20 0.09 0.00 -0.00 0.00 0.00 33.47 31.92 1bxh s TRP 40 CO 0.60 -0.59 1.78 0.09 -0.00 0.00 0.00 176.95 178.82 1bxh n ASN 41 N 4.94 4.82 -4.75 5.86 3.02 -1.26 -4.31 115.26 123.57 1bxh n ASN 41 Ca -0.10 -2.93 -0.39 0.00 -0.03 0.00 0.00 54.58 51.12 1bxh n ASN 41 Cb 0.47 -1.68 0.03 0.00 -0.61 0.00 0.00 39.78 37.99 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 7.18 2.03 -4.05 3.52 0.00 -1.26 -4.99 117.12 119.55 1bxh n MET 42 Ca 0.47 0.73 -0.32 0.00 -0.00 0.00 0.00 57.70 58.58 1bxh n MET 42 Cb 0.44 -2.61 -0.15 0.00 0.00 0.00 0.00 33.22 30.90 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 -2.61 2.10 0.27 2.12 -0.21 -1.26 -5.10 119.66 114.97 1bxh s GLN 43 Ca 0.65 -1.45 -0.30 0.00 0.02 0.00 0.00 55.36 54.27 1bxh s GLN 43 Cb -0.44 -2.97 -0.13 0.00 1.00 0.00 0.00 33.01 30.47 1bxh s GLN 43 CO 0.54 -0.65 1.47 -1.71 -2.12 0.00 0.00 175.29 172.82 1bxh n ASN 44 N 4.41 3.17 0.00 5.90 2.85 -1.26 -2.59 115.26 127.74 1bxh n ASN 44 Ca -0.10 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.52 1bxh n ASN 44 Cb 0.42 -1.49 0.00 0.00 1.24 0.00 0.00 39.78 39.95 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 2.03 2.31 3.78 8.20 0.00 -0.31 -5.00 105.19 116.21 1bxh n GLY 45 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.02 3.06 0.03 1.61 1.02 -1.07 -4.94 119.74 119.43 1bxh s LYS 46 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 1bxh s LYS 46 Cb 0.00 -2.85 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1bxh s LYS 46 CO 0.00 0.65 1.29 0.08 -0.92 0.00 0.00 175.35 176.44 1bxh s VAL 47 N -1.20 3.86 0.38 3.17 1.01 -1.26 -4.33 120.40 122.03 1bxh s VAL 47 Ca 0.23 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.56 1bxh s VAL 47 Cb -0.12 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1bxh s VAL 47 CO 0.14 0.05 0.03 -0.83 0.00 0.00 0.00 175.10 174.49 1bxh s GLY 48 N 1.39 2.35 0.04 4.51 0.00 0.32 -4.59 107.32 111.34 1bxh s GLY 48 Ca 0.61 -2.15 0.06 0.00 0.00 0.00 0.00 44.72 43.23 1bxh s GLY 48 CO 0.27 -1.99 -0.16 -1.59 0.00 0.00 0.00 173.10 169.63 1bxh s THR 49 N -2.95 1.28 -0.02 0.90 2.01 -0.15 -0.85 115.64 115.86 1bxh s THR 49 Ca 0.35 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.38 1bxh s THR 49 Cb 0.09 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1bxh s THR 49 CO 0.17 0.10 -0.19 0.00 -0.69 0.00 0.00 174.62 174.01 1bxh s ALA 50 N -0.78 1.57 -0.10 7.40 0.00 -0.58 -1.06 121.76 128.22 1bxh s ALA 50 Ca 0.04 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1bxh s ALA 50 Cb -0.08 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1bxh s ALA 50 CO 0.01 0.36 -0.09 -1.01 0.00 0.00 0.00 175.76 175.03 1bxh s HIS 51 N -0.34 1.45 -0.05 0.00 3.76 0.87 -2.53 115.29 118.46 1bxh s HIS 51 Ca 0.05 -0.66 0.06 0.00 -0.15 0.00 0.00 55.06 54.36 1bxh s HIS 51 Cb -0.08 -1.16 -0.01 0.00 1.11 0.00 0.00 32.58 32.43 1bxh s HIS 51 CO -0.00 -0.43 -0.25 0.42 -0.85 0.00 0.00 174.74 173.63 1bxh s ILE 52 N 1.33 2.04 0.05 0.60 1.09 -0.36 -0.55 121.20 125.40 1bxh s ILE 52 Ca -0.02 -1.06 0.00 0.00 -1.10 0.00 0.00 60.65 58.47 1bxh s ILE 52 Cb -0.14 -1.72 -0.03 0.00 -1.06 0.00 0.00 42.46 39.51 1bxh s ILE 52 CO -0.04 0.57 -0.04 0.27 -0.10 0.00 0.00 174.94 175.59 1bxh s ILE 53 N -0.21 0.33 -0.19 2.92 -4.36 -0.05 -1.21 121.20 118.42 1bxh s ILE 53 Ca -0.02 -1.58 -0.28 0.00 -0.26 0.00 0.00 60.65 58.51 1bxh s ILE 53 Cb -0.13 -1.21 0.11 0.00 1.25 0.00 0.00 42.46 42.48 1bxh s ILE 53 CO 0.03 -0.81 0.94 -0.47 0.24 0.00 0.00 174.94 174.87 1bxh s TYR 54 N -3.10 -0.48 -0.04 1.37 5.04 -0.99 -1.64 117.35 117.52 1bxh s TYR 54 Ca 0.02 0.97 -0.10 0.00 -2.44 0.00 0.00 57.07 55.51 1bxh s TYR 54 Cb 0.02 0.40 0.02 0.00 0.35 0.00 0.00 41.96 42.75 1bxh s TYR 54 CO -0.06 -0.35 0.24 0.54 -1.34 0.00 0.00 175.55 174.58 1bxh s ASN 55 N -0.57 -0.15 0.13 4.32 2.20 -1.26 -1.70 114.94 117.91 1bxh s ASN 55 Ca -0.01 0.14 0.21 0.00 -0.94 0.00 0.00 52.86 52.26 1bxh s ASN 55 Cb -0.02 0.35 0.85 0.00 -2.00 0.00 0.00 41.25 40.43 1bxh s ASN 55 CO 0.00 -0.30 1.64 -1.54 -2.94 0.00 0.00 177.10 173.96 1bxh n SER 56 N 1.92 0.37 -0.04 3.54 3.41 0.35 -0.96 113.62 122.20 1bxh n SER 56 Ca -0.19 0.58 -0.14 0.00 -0.26 0.00 0.00 58.87 58.86 1bxh n SER 56 Cb 0.57 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.74 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 1.58 0.00 -3.33 2.07 -1.90 -3.33 116.25 111.35 1bxh h VAL 57 Ca 0.00 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.65 1bxh h VAL 57 Cb 0.37 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1bxh h VAL 57 CO 0.00 0.48 -0.83 0.44 0.02 0.00 0.00 177.57 177.68 1bxh h ASP 58 N -0.67 0.00 -6.11 0.57 3.32 -1.97 -3.48 116.42 108.08 1bxh h ASP 58 Ca -0.01 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.62 1bxh h ASP 58 Cb 0.82 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.43 1bxh h ASP 58 CO 0.01 0.21 -0.85 0.29 -1.72 0.00 0.00 179.24 177.18 1bxh n LYS 59 N -2.89 -4.09 -3.89 3.56 5.02 -0.13 -4.88 118.16 110.85 1bxh n LYS 59 Ca -0.01 0.59 -0.25 0.00 -2.02 0.00 0.00 58.31 56.62 1bxh n LYS 59 Cb 0.64 -5.01 -0.17 0.00 -0.02 0.00 0.00 35.03 30.47 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 -5.94 1.18 -0.34 1.97 3.52 -1.25 -1.31 118.95 116.79 1bxh s ARG 60 Ca 0.09 -0.13 -0.16 0.00 -0.13 0.00 0.00 55.73 55.40 1bxh s ARG 60 Cb -0.03 -1.34 -0.01 0.00 -1.56 0.00 0.00 34.95 32.02 1bxh s ARG 60 CO 0.82 -0.26 0.43 -1.17 -0.81 0.00 0.00 175.30 174.31 1bxh s LEU 61 N 1.74 4.37 0.19 -0.88 2.96 -0.33 -4.21 118.68 122.53 1bxh s LEU 61 Ca 0.04 -0.10 0.11 0.00 -0.22 0.00 0.00 54.13 53.96 1bxh s LEU 61 Cb -0.13 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1bxh s LEU 61 CO -0.07 -0.39 -0.24 -0.44 -1.32 0.00 0.00 176.35 173.90 1bxh s SER 62 N 1.73 3.45 -0.02 3.68 0.01 -0.65 -1.71 113.70 120.20 1bxh s SER 62 Ca 0.15 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 56.50 1bxh s SER 62 Cb -0.16 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1bxh s SER 62 CO 0.12 0.12 0.11 0.00 0.41 0.00 0.00 173.24 174.00 1bxh s ALA 63 N -1.68 -0.26 -0.04 1.44 0.00 -0.14 -0.87 121.76 120.21 1bxh s ALA 63 Ca 0.21 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1bxh s ALA 63 Cb -0.08 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1bxh s ALA 63 CO 0.10 -0.12 -0.02 0.08 0.00 0.00 0.00 175.76 175.80 1bxh s VAL 64 N -0.63 0.33 -0.00 0.00 1.01 0.28 -1.97 120.40 119.42 1bxh s VAL 64 Ca -0.07 0.01 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1bxh s VAL 64 Cb -0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1bxh s VAL 64 CO 0.01 0.18 -0.22 -0.69 0.00 0.00 0.00 175.10 174.38 1bxh s VAL 65 N 1.04 1.74 0.26 2.92 1.01 -0.55 -0.09 120.40 126.73 1bxh s VAL 65 Ca -0.09 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.66 1bxh s VAL 65 Cb -0.14 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.81 1bxh s VAL 65 CO -0.01 0.43 0.68 -0.94 0.00 0.00 0.00 175.10 175.26 1bxh s SER 66 N -0.69 -0.30 0.12 3.32 1.04 -0.22 -1.22 113.70 115.74 1bxh s SER 66 Ca 0.08 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.07 1bxh s SER 66 Cb -0.09 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1bxh s SER 66 CO -0.00 -1.27 -0.17 -0.31 0.98 0.00 0.00 173.24 172.47 1bxh s TYR 67 N -3.89 1.56 0.23 5.02 2.02 -1.26 -0.98 117.35 120.05 1bxh s TYR 67 Ca 0.10 -0.48 -0.31 0.00 -0.37 0.00 0.00 57.07 56.00 1bxh s TYR 67 Cb -0.05 -0.83 -0.13 0.00 -0.40 0.00 0.00 41.96 40.55 1bxh s TYR 67 CO 0.03 0.18 1.44 -2.30 -1.57 0.00 0.00 175.55 173.34 1bxh n PRO 68 N 0.77 2.11 -3.42 -1.71 -0.02 -1.26 -3.15 135.00 128.32 1bxh n PRO 68 Ca -0.17 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 1bxh n PRO 68 Cb 0.55 -2.43 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.31 -5.95 -3.62 2.55 4.13 -1.26 -5.00 115.26 108.42 1bxh n ASN 69 Ca 0.12 -0.18 -0.04 0.00 1.68 0.00 0.00 54.58 56.16 1bxh n ASN 69 Cb 0.32 -2.53 -0.03 0.00 -1.54 0.00 0.00 39.78 35.99 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 -2.03 -2.08 0.65 5.41 0.00 -1.19 -5.14 121.76 117.38 1bxh s ALA 70 Ca 0.27 1.75 -0.16 0.00 0.00 0.00 0.00 51.96 53.82 1bxh s ALA 70 Cb -0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1bxh s ALA 70 CO 0.86 -0.38 1.16 -0.51 0.00 0.00 0.00 175.76 176.88 1bxh s ASP 71 N -1.46 4.93 -0.02 0.00 1.01 -1.26 -4.66 116.67 115.19 1bxh s ASP 71 Ca 0.07 2.19 0.03 0.00 0.71 0.00 0.00 52.55 55.56 1bxh s ASP 71 Cb -0.01 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1bxh s ASP 71 CO -0.05 -1.76 -0.11 -0.94 0.21 0.00 0.00 175.17 172.52 1bxh s SER 72 N -2.15 4.29 0.06 0.27 1.04 -1.26 -4.56 113.70 111.39 1bxh s SER 72 Ca 0.72 -0.18 -0.19 0.00 0.48 0.00 0.00 55.95 56.77 1bxh s SER 72 Cb -0.25 -0.94 -0.06 0.00 0.10 0.00 0.00 66.02 64.86 1bxh s SER 72 CO 0.39 0.32 0.56 0.00 0.98 0.00 0.00 173.24 175.49 1bxh s ALA 73 N -0.85 3.58 0.06 5.32 0.00 -0.36 -4.92 121.76 124.60 1bxh s ALA 73 Ca 0.14 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1bxh s ALA 73 Cb -0.11 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1bxh s ALA 73 CO 0.03 0.37 -0.15 0.99 0.00 0.00 0.00 175.76 177.01 1bxh s THR 74 N -0.98 1.15 -0.20 0.00 2.01 -1.26 -1.48 115.64 114.88 1bxh s THR 74 Ca 0.29 -1.23 -0.17 0.00 0.31 0.00 0.00 61.69 60.89 1bxh s THR 74 Cb -0.19 -1.08 0.05 0.00 0.01 0.00 0.00 72.50 71.29 1bxh s THR 74 CO 0.18 -0.15 0.51 0.54 -0.69 0.00 0.00 174.62 175.02 1bxh s VAL 75 N -1.14 -0.00 0.10 3.82 0.11 -0.83 -4.74 120.40 117.71 1bxh s VAL 75 Ca -0.00 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 1bxh s VAL 75 Cb -0.09 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1bxh s VAL 75 CO 0.02 0.00 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.28 1bxh s SER 76 N 0.49 1.25 -0.26 3.54 0.01 -1.26 -0.97 113.70 116.49 1bxh s SER 76 Ca -0.02 -0.95 -0.17 0.00 1.31 0.00 0.00 55.95 56.12 1bxh s SER 76 Cb -0.04 0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.33 1bxh s SER 76 CO -0.02 -0.40 0.65 -0.47 0.41 0.00 0.00 173.24 173.41 1bxh s TYR 77 N -3.28 -0.95 -0.05 2.43 5.04 -0.69 -4.97 117.35 114.87 1bxh s TYR 77 Ca 0.10 1.98 -0.30 0.00 -2.44 0.00 0.00 57.07 56.41 1bxh s TYR 77 Cb 0.03 0.52 -0.03 0.00 0.35 0.00 0.00 41.96 42.83 1bxh s TYR 77 CO -0.03 -0.47 1.09 -0.51 -1.34 0.00 0.00 175.55 174.29 1bxh s ASP 78 N 1.35 7.18 -0.28 4.32 1.01 -1.26 -1.19 116.67 127.81 1bxh s ASP 78 Ca -0.08 1.71 -0.16 0.00 0.71 0.00 0.00 52.55 54.72 1bxh s ASP 78 Cb -0.05 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.42 1bxh s ASP 78 CO -0.15 -0.46 0.79 0.54 0.21 0.00 0.00 175.17 176.10 1bxh s VAL 79 N 1.78 0.00 -0.51 -1.27 0.11 -0.43 -4.96 120.40 115.12 1bxh s VAL 79 Ca 0.53 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.38 1bxh s VAL 79 Cb -0.22 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.69 1bxh s VAL 79 CO 0.22 0.00 0.65 -0.62 -3.33 0.00 0.00 175.10 172.02 1bxh s ASP 80 N 1.47 6.23 0.65 3.54 -1.08 -1.26 -4.29 116.67 121.93 1bxh s ASP 80 Ca -0.09 -0.91 0.42 0.00 -0.52 0.00 0.00 52.55 51.45 1bxh s ASP 80 Cb -0.05 -2.30 2.26 0.00 -1.46 0.00 0.00 42.92 41.37 1bxh s ASP 80 CO -0.17 -0.93 2.32 -0.07 0.52 0.00 0.00 175.17 176.84 1bxh h LEU 81 N 9.80 0.00 -1.29 -1.34 3.38 -1.98 -2.07 115.31 121.82 1bxh h LEU 81 Ca -0.27 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.71 1bxh h LEU 81 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1bxh h LEU 81 CO 0.98 0.00 0.49 0.44 0.09 0.00 0.00 178.44 180.44 1bxh h ASP 82 N 0.00 0.82 0.39 -0.43 3.32 -1.91 -1.44 116.42 117.16 1bxh h ASP 82 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bxh h ASP 82 Cb 0.06 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1bxh h ASP 82 CO 0.00 0.58 -0.12 0.59 -1.72 0.00 0.00 179.24 178.57 1bxh n ASN 83 N -4.44 0.45 -0.01 6.45 3.02 -0.78 -4.35 115.26 115.61 1bxh n ASN 83 Ca 0.09 -0.53 -0.01 0.00 -0.03 0.00 0.00 54.58 54.10 1bxh n ASN 83 Cb 0.07 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.99 0.13 -4.41 2.41 0.31 -0.76 -5.08 118.33 109.94 1bxh n VAL 84 Ca 0.14 -0.08 -0.24 0.00 -0.01 0.00 0.00 64.34 64.15 1bxh n VAL 84 Cb 0.28 -0.91 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 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 -4.24 2.76 0.94 7.52 1.43 -0.62 -4.93 118.68 121.54 1bxh s LEU 85 Ca -0.01 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1bxh s LEU 85 Cb 0.01 -1.29 0.15 0.00 0.03 0.00 0.00 46.19 45.09 1bxh s LEU 85 CO 0.07 0.04 1.09 -2.84 0.23 0.00 0.00 176.35 174.94 1bxh s PRO 86 N -3.48 0.89 0.32 1.29 0.02 -1.26 -4.78 135.00 128.00 1bxh s PRO 86 Ca 0.30 0.91 0.00 0.00 0.02 0.00 0.00 61.00 62.23 1bxh s PRO 86 Cb -0.06 -1.76 0.53 0.00 0.02 0.00 0.00 34.50 33.23 1bxh s PRO 86 CO 0.16 -2.52 1.95 1.49 -0.33 0.00 0.00 177.00 177.76 1bxh h GLU 87 N -1.75 0.89 -5.88 5.54 4.81 -1.94 -3.42 114.58 112.83 1bxh h GLU 87 Ca -0.51 -0.08 -0.67 0.00 -0.13 0.00 0.00 59.36 57.97 1bxh h GLU 87 Cb 1.29 -0.18 -0.21 0.00 0.63 0.00 0.00 28.75 30.27 1bxh h GLU 87 CO 0.52 0.64 -0.71 -1.58 -0.73 0.00 0.00 179.01 177.16 1bxh s TRP 88 N -5.64 2.91 0.27 0.92 0.52 -1.26 -1.98 118.94 114.69 1bxh s TRP 88 Ca -0.10 -0.15 0.02 0.00 0.02 0.00 0.00 56.10 55.89 1bxh s TRP 88 Cb 0.17 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.71 1bxh s TRP 88 CO 0.78 0.17 0.31 1.33 0.02 0.00 0.00 176.95 179.56 1bxh n VAL 89 N 2.67 0.00 -4.46 4.03 0.24 -0.59 -4.33 118.33 115.89 1bxh n VAL 89 Ca -0.18 -1.67 -0.22 0.00 -2.04 0.00 0.00 64.34 60.23 1bxh n VAL 89 Cb 0.53 0.92 -0.14 0.00 -1.47 0.00 0.00 33.84 33.68 1bxh n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bxh s ARG 90 N -2.85 1.09 0.04 7.34 0.52 -0.47 -0.04 118.95 124.59 1bxh s ARG 90 Ca 0.27 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 1bxh s ARG 90 Cb 0.00 -1.14 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 1bxh s ARG 90 CO 0.19 0.29 -0.08 0.14 0.02 0.00 0.00 175.30 175.86 1bxh s VAL 91 N -0.82 3.55 0.26 3.52 -7.23 -1.26 -1.66 120.40 116.76 1bxh s VAL 91 Ca 0.04 -0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 59.10 1bxh s VAL 91 Cb -0.08 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.32 1bxh s VAL 91 CO 0.01 0.28 0.73 0.61 -0.31 0.00 0.00 175.10 176.42 1bxh n GLY 92 N 1.20 0.99 3.27 2.32 0.00 -0.28 -1.43 105.19 111.25 1bxh n GLY 92 Ca -0.14 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 2.04 0.05 0.99 1.43 0.15 -0.97 118.68 122.38 1bxh s LEU 93 Ca 0.15 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1bxh s LEU 93 Cb -0.03 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1bxh s LEU 93 CO 0.08 0.29 -0.09 -0.55 0.23 0.00 0.00 176.35 176.31 1bxh s SER 94 N -0.54 1.02 0.21 2.29 0.15 0.81 -1.01 113.70 116.64 1bxh s SER 94 Ca 0.09 -0.61 -0.16 0.00 0.70 0.00 0.00 55.95 55.96 1bxh s SER 94 Cb -0.09 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 1bxh s SER 94 CO -0.01 -0.21 0.51 0.00 1.20 0.00 0.00 173.24 174.72 1bxh s ALA 95 N -1.62 -0.72 0.26 5.45 0.00 -0.70 0.35 121.76 124.78 1bxh s ALA 95 Ca -0.06 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.25 1bxh s ALA 95 Cb -0.08 0.89 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1bxh s ALA 95 CO 0.00 -0.82 0.76 -1.54 0.00 0.00 0.00 175.76 174.16 1bxh s SER 96 N -2.92 -0.24 0.05 0.00 1.04 -1.08 -2.05 113.70 108.50 1bxh s SER 96 Ca 0.13 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 1bxh s SER 96 Cb -0.01 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 1bxh s SER 96 CO 0.01 -1.28 0.09 0.42 0.98 0.00 0.00 173.24 173.46 1bxh s THR 97 N -3.80 0.15 0.00 2.02 -4.23 -0.00 -0.17 115.64 109.61 1bxh s THR 97 Ca 0.11 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1bxh s THR 97 Cb -0.05 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1bxh s THR 97 CO 0.06 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 1bxh n GLY 98 N 0.40 3.42 0.11 3.99 0.00 -1.26 -1.88 105.19 109.97 1bxh n GLY 98 Ca -0.17 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 0.23-10.14 0.99 5.85 -1.97 -1.10 115.31 109.17 1bxh h LEU 99 Ca 0.00 -0.28 -0.51 0.00 0.84 0.00 0.00 57.88 57.93 1bxh h LEU 99 Cb 0.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1bxh h LEU 99 CO 0.00 0.46 -0.15 -0.31 -0.34 0.00 0.00 178.44 178.09 1bxh s TYR 100 N -5.08 3.49 0.15 1.25 2.02 -1.26 -4.85 117.35 113.06 1bxh s TYR 100 Ca -0.14 0.55 0.02 0.00 -0.37 0.00 0.00 57.07 57.14 1bxh s TYR 100 Cb 0.06 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1bxh s TYR 100 CO 0.71 0.15 0.09 0.36 -1.57 0.00 0.00 175.55 175.29 1bxh n LYS 101 N -1.21 0.44 -3.61 -0.62 0.00 -1.25 -4.47 118.16 107.43 1bxh n LYS 101 Ca -0.03 -1.35 -0.01 0.00 -0.00 0.00 0.00 58.31 56.93 1bxh n LYS 101 Cb 0.55 0.94 -0.01 0.00 -0.00 0.00 0.00 35.03 36.50 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 -2.57 0.15 0.19 -1.58 -1.05 -1.08 -3.01 118.70 109.75 1bxh s GLU 102 Ca 0.12 -0.07 -0.17 0.00 -0.15 0.00 0.00 54.97 54.71 1bxh s GLU 102 Cb 0.01 0.06 -0.08 0.00 -0.44 0.00 0.00 34.13 33.68 1bxh s GLU 102 CO 0.09 -0.07 0.65 0.95 0.95 0.00 0.00 175.26 177.83 1bxh s THR 103 N -2.19 4.70 -0.56 1.83 -4.23 -0.10 -4.72 115.64 110.38 1bxh s THR 103 Ca 0.12 1.06 0.07 0.00 -1.18 0.00 0.00 61.69 61.76 1bxh s THR 103 Cb 0.02 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.35 1bxh s THR 103 CO -0.04 0.20 0.77 0.59 -0.54 0.00 0.00 174.62 175.60 1bxh n ASN 104 N 0.70 3.18 -4.72 3.99 4.13 -1.26 -3.49 115.26 117.79 1bxh n ASN 104 Ca -0.03 -3.36 -0.40 0.00 1.68 0.00 0.00 54.58 52.47 1bxh n ASN 104 Cb 0.51 -0.63 -0.05 0.00 -1.54 0.00 0.00 39.78 38.08 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 -2.85 5.06 -0.27 3.41 2.01 -1.10 -2.12 115.64 119.78 1bxh s THR 105 Ca 0.42 1.40 -0.08 0.00 0.31 0.00 0.00 61.69 63.74 1bxh s THR 105 Cb 0.21 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1bxh s THR 105 CO -0.07 0.26 0.09 -0.63 -0.69 0.00 0.00 174.62 173.58 1bxh s ILE 106 N 0.77 4.26 -0.07 1.82 -1.09 0.78 -0.48 121.20 127.18 1bxh s ILE 106 Ca 0.36 -0.36 0.14 0.00 -2.23 0.00 0.00 60.65 58.57 1bxh s ILE 106 Cb -0.17 -3.07 -0.16 0.00 -1.58 0.00 0.00 42.46 37.47 1bxh s ILE 106 CO 0.17 0.23 0.85 -0.07 -1.23 0.00 0.00 174.94 174.89 1bxh h LEU 107 N 8.26 0.00 -7.00 2.97 4.07 -1.28 -1.60 115.31 120.73 1bxh h LEU 107 Ca -0.36 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.65 1bxh h LEU 107 Cb 1.16 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.72 1bxh h LEU 107 CO 0.59 0.77 0.40 -0.94 -1.08 0.00 0.00 178.44 178.19 1bxh s SER 108 N -6.03 -0.46 -0.22 -0.43 1.04 -1.22 -4.54 113.70 101.85 1bxh s SER 108 Ca -0.03 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.53 1bxh s SER 108 Cb 0.08 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.71 1bxh s SER 108 CO 0.81 -0.61 0.52 0.86 0.98 0.00 0.00 173.24 175.80 1bxh s TRP 109 N -2.38 -0.84 0.09 5.02 -0.00 0.01 -1.66 118.94 119.19 1bxh s TRP 109 Ca -0.00 1.68 0.04 0.00 -0.00 0.00 0.00 56.10 57.81 1bxh s TRP 109 Cb -0.01 0.43 -0.03 0.00 -0.00 0.00 0.00 33.47 33.86 1bxh s TRP 109 CO -0.04 -0.45 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.82 1bxh s SER 110 N 1.81 1.45 -0.12 5.86 1.04 0.59 -0.13 113.70 124.20 1bxh s SER 110 Ca -0.08 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 1bxh s SER 110 Cb -0.08 0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1bxh s SER 110 CO -0.15 -0.24 0.31 0.12 0.98 0.00 0.00 173.24 174.26 1bxh s PHE 111 N -2.24 -0.34 -0.01 5.02 5.36 -0.53 -1.13 117.98 124.10 1bxh s PHE 111 Ca 0.04 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 56.86 1bxh s PHE 111 Cb -0.04 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 1bxh s PHE 111 CO 0.00 -0.17 -0.05 0.99 -1.46 0.00 0.00 175.22 174.54 1bxh s THR 112 N 0.18 0.43 -0.01 0.12 2.01 0.47 -2.05 115.64 116.79 1bxh s THR 112 Ca -0.00 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1bxh s THR 112 Cb -0.02 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1bxh s THR 112 CO 0.00 0.15 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.49 1bxh s SER 113 N 0.20 0.54 -0.00 3.53 0.15 -0.04 -0.67 113.70 117.40 1bxh s SER 113 Ca -0.02 -0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 1bxh s SER 113 Cb -0.06 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1bxh s SER 113 CO -0.00 0.03 0.01 -0.54 1.20 0.00 0.00 173.24 173.94 1bxh s LYS 114 N 0.07 0.01 -0.16 5.44 1.02 -0.35 -1.09 119.74 124.68 1bxh s LYS 114 Ca -0.00 0.02 -0.00 0.00 0.02 0.00 0.00 55.97 56.00 1bxh s LYS 114 Cb -0.04 -0.01 0.04 0.00 -0.52 0.00 0.00 37.83 37.30 1bxh s LYS 114 CO -0.00 -0.01 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.84 1bxh s LEU 115 N 0.06 1.61 -0.30 3.17 1.43 0.25 -1.62 118.68 123.29 1bxh s LEU 115 Ca -0.01 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 1bxh s LEU 115 Cb -0.01 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1bxh s LEU 115 CO -0.00 -0.17 0.25 -0.54 0.23 0.00 0.00 176.35 176.12 1bxh s LYS 116 N 1.62 3.83 0.58 1.70 -0.14 0.10 -0.99 119.74 126.44 1bxh s LYS 116 Ca 0.01 -0.32 0.10 0.00 -1.36 0.00 0.00 55.97 54.40 1bxh s LYS 116 Cb -0.15 -3.70 0.09 0.00 -1.68 0.00 0.00 37.83 32.39 1bxh s LYS 116 CO -0.08 -0.29 0.80 0.45 -0.76 0.00 0.00 175.35 175.47 1bxh s SER 117 N 1.73 5.09 -0.84 2.83 0.15 -1.05 0.47 113.70 122.07 1bxh s SER 117 Ca 0.09 -0.84 -0.22 0.00 0.70 0.00 0.00 55.95 55.68 1bxh s SER 117 Cb -0.16 0.29 -0.15 0.00 -1.71 0.00 0.00 66.02 64.30 1bxh s SER 117 CO 0.11 -1.35 1.92 0.59 1.20 0.00 0.00 173.24 175.71 1bxh n ASN 118 N -2.25 2.63 -3.63 5.45 4.13 -1.20 -4.65 115.26 115.74 1bxh n ASN 118 Ca 0.16 -2.68 -0.03 0.00 1.68 0.00 0.00 54.58 53.71 1bxh n ASN 118 Cb 0.62 -1.22 -0.00 0.00 -1.54 0.00 0.00 39.78 37.63 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 5.24 -0.11 -0.12 6.41 0.01 -1.26 -5.10 113.70 118.78 1bxh s SER 119 Ca 0.59 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 57.12 1bxh s SER 119 Cb 0.12 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 1bxh s SER 119 CO 0.12 -0.84 1.35 0.42 0.41 0.00 0.00 173.24 174.70 1bxh s THR 120 N -2.84 4.09 -1.21 1.44 -4.23 -1.26 -3.77 115.64 107.86 1bxh s THR 120 Ca 0.15 1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 61.94 1bxh s THR 120 Cb -0.01 -3.87 0.01 0.00 1.34 0.00 0.00 72.50 69.97 1bxh s THR 120 CO 0.02 -0.10 0.13 1.57 -0.54 0.00 0.00 174.62 175.70 1bxh n HIS 121 N 6.49 -1.05 -3.23 3.99 -0.00 -1.26 -4.84 115.22 115.32 1bxh n HIS 121 Ca 0.14 0.40 -0.37 0.00 -0.00 0.00 0.00 57.72 57.89 1bxh n HIS 121 Cb 0.44 -2.29 -0.03 0.00 -0.00 0.00 0.00 29.99 28.12 1bxh n HIS 121 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1bxh n GLU 122 N -4.04 3.59 -4.07 1.57 4.07 -1.25 -5.04 120.64 115.48 1bxh n GLU 122 Ca -0.23 -4.59 -0.36 0.00 -0.06 0.00 0.00 57.16 51.92 1bxh n GLU 122 Cb 0.55 -2.42 -0.07 0.00 -0.06 0.00 0.00 31.44 29.44 1bxh n GLU 122 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1bxh s THR 123 N -2.48 5.04 -0.11 6.31 2.01 -1.26 -2.54 115.64 122.61 1bxh s THR 123 Ca 0.34 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 1bxh s THR 123 Cb 0.06 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1bxh s THR 123 CO 0.03 0.61 -0.08 0.20 -0.69 0.00 0.00 174.62 174.69 1bxh s ASN 124 N -0.99 4.45 0.05 3.53 -0.87 -0.16 -4.95 114.94 115.99 1bxh s ASN 124 Ca 0.15 -0.16 0.01 0.00 -1.57 0.00 0.00 52.86 51.29 1bxh s ASN 124 Cb -0.12 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.25 39.65 1bxh s ASN 124 CO 0.04 0.25 -0.05 0.00 -2.57 0.00 0.00 177.10 174.77 1bxh s ALA 125 N -0.14 0.51 -0.03 0.60 0.00 -1.26 -0.58 121.76 120.86 1bxh s ALA 125 Ca 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1bxh s ALA 125 Cb -0.13 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1bxh s ALA 125 CO 0.03 -0.19 -0.01 -1.17 0.00 0.00 0.00 175.76 174.43 1bxh s LEU 126 N -2.15 1.30 -0.08 0.00 2.96 -0.25 -4.99 118.68 115.47 1bxh s LEU 126 Ca -0.03 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1bxh s LEU 126 Cb -0.03 -0.22 0.03 0.00 0.50 0.00 0.00 46.19 46.47 1bxh s LEU 126 CO -0.03 -0.08 0.20 -2.28 -1.32 0.00 0.00 176.35 172.83 1bxh s HIS 127 N 0.85 -0.23 0.01 5.38 5.65 -1.26 -0.86 115.29 124.83 1bxh s HIS 127 Ca -0.09 0.58 -0.04 0.00 0.25 0.00 0.00 55.06 55.76 1bxh s HIS 127 Cb -0.12 0.04 -0.01 0.00 -1.18 0.00 0.00 32.58 31.31 1bxh s HIS 127 CO -0.01 -0.15 0.06 -0.59 -0.65 0.00 0.00 174.74 173.40 1bxh s PHE 128 N 0.60 0.12 -0.03 3.88 -0.12 -0.87 -5.01 117.98 116.55 1bxh s PHE 128 Ca -0.04 -0.27 -0.01 0.00 -0.05 0.00 0.00 56.93 56.56 1bxh s PHE 128 Cb -0.06 -0.10 0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1bxh s PHE 128 CO -0.03 -0.23 0.04 1.41 -0.05 0.00 0.00 175.22 176.37 1bxh s MET 129 N -1.30 -0.03 -0.18 1.99 1.75 -1.26 -1.45 119.30 118.82 1bxh s MET 129 Ca -0.14 0.29 -0.01 0.00 -1.25 0.00 0.00 55.69 54.58 1bxh s MET 129 Cb -0.08 -0.42 0.00 0.00 2.84 0.00 0.00 34.83 37.17 1bxh s MET 129 CO 0.00 -0.26 -0.13 -0.06 -0.65 0.00 0.00 175.02 173.92 1bxh s PHE 130 N 1.71 2.84 -0.00 4.11 0.08 0.81 -4.92 117.98 122.60 1bxh s PHE 130 Ca -0.01 -1.20 0.02 0.00 0.12 0.00 0.00 56.93 55.86 1bxh s PHE 130 Cb -0.12 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1bxh s PHE 130 CO -0.03 -0.60 0.03 0.09 -0.10 0.00 0.00 175.22 174.61 1bxh n ASN 131 N 4.46 4.65 -3.86 1.36 3.02 -1.26 -0.81 115.26 122.82 1bxh n ASN 131 Ca -0.19 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.16 1bxh n ASN 131 Cb 0.51 1.06 -0.16 0.00 -0.61 0.00 0.00 39.78 40.57 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 -2.11 0.64 -0.23 3.52 2.00 -1.26 -4.69 119.66 117.53 1bxh s GLN 132 Ca -0.01 -0.03 -0.06 0.00 -2.00 0.00 0.00 55.36 53.27 1bxh s GLN 132 Cb 0.01 -0.73 -0.02 0.00 0.80 0.00 0.00 33.01 33.07 1bxh s GLN 132 CO 0.06 -0.11 0.01 -0.06 -0.50 0.00 0.00 175.29 174.69 1bxh s PHE 133 N 1.03 3.03 0.57 1.67 0.08 0.27 -5.04 117.98 119.59 1bxh s PHE 133 Ca -0.10 -0.60 -0.02 0.00 0.12 0.00 0.00 56.93 56.34 1bxh s PHE 133 Cb -0.14 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.19 1bxh s PHE 133 CO -0.01 -0.39 0.83 -1.54 -0.10 0.00 0.00 175.22 174.02 1bxh s SER 134 N 1.40 5.34 0.25 1.36 1.04 -1.26 -3.56 113.70 118.27 1bxh s SER 134 Ca 0.05 0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.73 1bxh s SER 134 Cb -0.15 -1.22 0.33 0.00 0.10 0.00 0.00 66.02 65.09 1bxh s SER 134 CO 0.01 -1.15 1.90 0.50 0.98 0.00 0.00 173.24 175.48 1bxh h LYS 135 N -0.07 1.18 -2.97 4.02 3.64 -1.90 -3.24 116.57 117.23 1bxh h LYS 135 Ca -0.44 -0.07 -0.66 0.00 -1.27 0.00 0.00 60.65 58.21 1bxh h LYS 135 Cb 1.28 -0.27 -0.39 0.00 -0.41 0.00 0.00 32.23 32.45 1bxh h LYS 135 CO 0.57 0.78 -0.30 -3.47 -2.27 0.00 0.00 179.45 174.75 1bxh n ASP 136 N -4.48 3.86 -4.51 4.20 2.03 -1.26 -4.79 116.55 111.61 1bxh n ASP 136 Ca 0.13 -3.25 -0.43 0.00 0.52 0.00 0.00 54.79 51.77 1bxh n ASP 136 Cb 0.11 -0.88 -0.02 0.00 -0.72 0.00 0.00 41.12 39.60 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 -1.75 3.67 0.17 -0.67 2.00 -1.22 -4.87 119.66 116.97 1bxh s GLN 137 Ca 0.30 -1.58 0.19 0.00 -2.00 0.00 0.00 55.36 52.27 1bxh s GLN 137 Cb -0.01 -5.16 0.82 0.00 0.80 0.00 0.00 33.01 29.46 1bxh s GLN 137 CO -0.10 -1.99 1.58 1.63 -0.50 0.00 0.00 175.29 175.91 1bxh n LYS 138 N 7.60 0.12 -0.34 1.67 5.02 -1.26 -2.64 118.16 128.33 1bxh n LYS 138 Ca 0.31 0.39 0.11 0.00 -2.02 0.00 0.00 58.31 57.10 1bxh n LYS 138 Cb 0.49 -1.74 0.30 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.96 3.65 -4.33 4.39 5.68 -1.26 -4.86 116.55 117.86 1bxh n ASP 139 Ca 0.02 -2.00 -0.31 0.00 -0.50 0.00 0.00 54.79 52.00 1bxh n ASP 139 Cb 0.18 -0.45 -0.15 0.00 -1.14 0.00 0.00 41.12 39.55 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 -1.02 2.12 -0.36 -2.12 1.43 -1.08 -0.95 118.68 116.69 1bxh s LEU 140 Ca 0.46 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1bxh s LEU 140 Cb 0.24 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1bxh s LEU 140 CO 0.31 0.30 0.20 -0.63 0.23 0.00 0.00 176.35 176.76 1bxh s ILE 141 N -0.67 4.63 -0.11 -0.59 1.01 0.64 -4.86 121.20 121.25 1bxh s ILE 141 Ca 0.11 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 1bxh s ILE 141 Cb -0.10 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1bxh s ILE 141 CO -0.00 -0.16 0.37 -0.76 0.00 0.00 0.00 174.94 174.40 1bxh s LEU 142 N 1.58 4.31 0.12 2.97 1.43 -1.26 -1.42 118.68 126.41 1bxh s LEU 142 Ca 0.03 0.71 0.08 0.00 -1.03 0.00 0.00 54.13 53.91 1bxh s LEU 142 Cb -0.19 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1bxh s LEU 142 CO 0.07 0.13 -0.20 -1.10 0.23 0.00 0.00 176.35 175.48 1bxh s GLN 143 N 0.13 1.14 6.04 1.70 -0.21 -0.36 -4.99 119.66 123.11 1bxh s GLN 143 Ca 0.21 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1bxh s GLN 143 Cb -0.14 -1.32 0.00 0.00 1.00 0.00 0.00 33.01 32.55 1bxh s GLN 143 CO 0.08 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 1bxh n GLY 144 N 0.87 2.33 0.26 3.09 0.00 -1.26 -1.75 105.19 108.73 1bxh n GLY 144 Ca -0.18 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 3.10 0.81 -4.74 1.61 8.00 0.15 -4.95 116.55 120.53 1bxh n ASP 145 Ca 0.00 -1.36 -0.42 0.00 0.71 0.00 0.00 54.79 53.73 1bxh n ASP 145 Cb 0.00 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.97 3.73 0.09 2.24 0.00 -0.99 -4.35 121.76 120.51 1bxh s ALA 146 Ca 0.39 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.78 1bxh s ALA 146 Cb 0.19 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1bxh s ALA 146 CO 0.32 -0.87 0.05 0.95 0.00 0.00 0.00 175.76 176.21 1bxh s THR 147 N 0.31 0.17 0.29 0.00 -4.23 -0.31 -4.74 115.64 107.12 1bxh s THR 147 Ca 0.64 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 59.50 1bxh s THR 147 Cb -0.45 -1.65 -0.06 0.00 1.34 0.00 0.00 72.50 71.67 1bxh s THR 147 CO 0.42 -0.75 -0.01 0.42 -0.54 0.00 0.00 174.62 174.16 1bxh s THR 148 N -3.95 1.40 0.00 3.99 -4.23 -1.26 -0.59 115.64 111.01 1bxh s THR 148 Ca 0.12 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1bxh s THR 148 Cb 0.07 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1bxh s THR 148 CO -0.06 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1bxh n GLY 149 N -0.60 3.17 3.56 3.99 0.00 -1.12 -4.60 105.19 109.59 1bxh n GLY 149 Ca -0.04 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.17 3.06 -0.09 2.61 2.01 -1.26 -0.98 115.64 120.82 1bxh s THR 150 Ca 0.00 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1bxh s THR 150 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1bxh s THR 150 CO 0.00 -0.14 0.00 0.47 -0.69 0.00 0.00 174.62 174.26 1bxh n ASP 151 N 17.88 -3.36 -0.29 3.53 8.00 -1.26 -2.76 116.55 138.28 1bxh n ASP 151 Ca 0.45 0.02 -0.04 0.00 0.71 0.00 0.00 54.79 55.93 1bxh n ASP 151 Cb 0.45 -0.94 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 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 -2.55 0.68 3.92 0.44 0.00 -0.15 -4.95 105.19 102.58 1bxh n GLY 152 Ca -0.01 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.90 5.34 -0.24 1.61 0.01 -1.11 -0.57 114.94 117.08 1bxh s ASN 153 Ca 0.00 -0.56 -0.06 0.00 -0.71 0.00 0.00 52.86 51.53 1bxh s ASN 153 Cb 0.00 -0.72 -0.01 0.00 0.41 0.00 0.00 41.25 40.93 1bxh s ASN 153 CO 0.00 -0.62 0.02 -0.22 -1.51 0.00 0.00 177.10 174.77 1bxh s LEU 154 N -4.18 3.24 -0.40 0.60 2.96 -0.60 -2.80 118.68 117.51 1bxh s LEU 154 Ca 0.49 -0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 53.89 1bxh s LEU 154 Cb -0.06 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1bxh s LEU 154 CO 0.29 -0.05 0.27 -1.61 -1.32 0.00 0.00 176.35 173.94 1bxh s GLU 155 N 1.53 2.92 0.04 1.98 0.41 0.25 -0.16 118.70 125.67 1bxh s GLU 155 Ca 0.05 -1.05 -0.21 0.00 -0.41 0.00 0.00 54.97 53.36 1bxh s GLU 155 Cb -0.15 -3.91 -0.14 0.00 -1.78 0.00 0.00 34.13 28.15 1bxh s GLU 155 CO 0.00 -0.74 1.35 -0.07 -0.49 0.00 0.00 175.26 175.31 1bxh h LEU 156 N 8.57 0.34 -9.93 1.80 3.38 -1.69 -0.80 115.31 116.98 1bxh h LEU 156 Ca -0.26 -0.46 -0.51 0.00 0.09 0.00 0.00 57.88 56.73 1bxh h LEU 156 Cb 1.11 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1bxh h LEU 156 CO 0.71 0.73 -0.50 0.42 0.09 0.00 0.00 178.44 179.89 1bxh s THR 157 N -4.37 3.81 0.37 0.22 -4.23 -1.26 -2.36 115.64 107.82 1bxh s THR 157 Ca -0.14 -1.46 -0.28 0.00 -1.18 0.00 0.00 61.69 58.62 1bxh s THR 157 Cb 0.05 -3.22 -0.11 0.00 1.34 0.00 0.00 72.50 70.56 1bxh s THR 157 CO 0.74 -0.26 1.46 -0.60 -0.54 0.00 0.00 174.62 175.42 1bxh s ARG 158 N -3.90 4.15 -0.04 3.99 3.52 -1.26 -4.80 118.95 120.61 1bxh s ARG 158 Ca 0.37 2.51 -0.01 0.00 -0.13 0.00 0.00 55.73 58.47 1bxh s ARG 158 Cb -0.06 -2.98 0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1bxh s ARG 158 CO 0.25 -0.48 0.04 0.08 -0.81 0.00 0.00 175.30 174.38 1bxh s VAL 159 N -1.13 -0.00 0.81 7.11 1.01 -1.26 -2.32 120.40 124.62 1bxh s VAL 159 Ca 0.52 0.30 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 1bxh s VAL 159 Cb -0.45 -0.20 0.08 0.00 0.00 0.00 0.00 36.38 35.81 1bxh s VAL 159 CO 0.61 0.16 1.18 -0.94 0.00 0.00 0.00 175.10 176.12 1bxh s SER 160 N 1.74 3.70 0.41 3.32 1.04 0.08 -4.82 113.70 119.17 1bxh s SER 160 Ca -0.00 2.26 0.19 0.00 0.48 0.00 0.00 55.95 58.87 1bxh s SER 160 Cb -0.12 -2.58 1.11 0.00 0.10 0.00 0.00 66.02 64.53 1bxh s SER 160 CO -0.03 -2.59 1.79 0.77 0.98 0.00 0.00 173.24 174.17 1bxh h SER 161 N -0.99 0.43 0.98 7.02 4.64 -2.01 0.67 113.55 124.30 1bxh h SER 161 Ca -0.46 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bxh h SER 161 Cb 1.28 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bxh h SER 161 CO 0.47 0.11 0.00 -0.55 -0.87 0.00 0.00 176.83 175.99 1bxh h ASN 162 N 0.39 0.00 0.00 4.97 7.08 -2.05 -3.46 115.58 122.51 1bxh h ASN 162 Ca 0.56 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.78 1bxh h ASN 162 Cb 1.43 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.67 1bxh h ASN 162 CO -0.25 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.71 1bxh n GLY 163 N 0.01 0.95 3.83 9.14 0.00 0.24 -5.12 105.19 114.24 1bxh n GLY 163 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.54 6.95 0.68 1.61 1.04 -1.24 -4.79 113.70 116.40 1bxh s SER 164 Ca 0.00 1.18 -0.15 0.00 0.48 0.00 0.00 55.95 57.46 1bxh s SER 164 Cb 0.00 -2.33 0.01 0.00 0.10 0.00 0.00 66.02 63.80 1bxh s SER 164 CO 0.00 0.19 1.14 -2.84 0.98 0.00 0.00 173.24 172.71 1bxh s PRO 165 N -1.53 2.62 0.11 4.02 0.02 -1.26 -0.74 135.00 138.24 1bxh s PRO 165 Ca 0.33 1.51 0.07 0.00 0.02 0.00 0.00 61.00 62.94 1bxh s PRO 165 Cb -0.17 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1bxh s PRO 165 CO 0.19 -1.41 -0.09 -0.65 -0.33 0.00 0.00 177.00 174.71 1bxh s GLN 166 N -4.00 2.14 0.67 5.54 -1.52 -0.98 -4.83 119.66 116.68 1bxh s GLN 166 Ca 0.69 -1.04 -0.02 0.00 -1.95 0.00 0.00 55.36 53.04 1bxh s GLN 166 Cb -0.23 -2.30 0.09 0.00 -0.22 0.00 0.00 33.01 30.34 1bxh s GLN 166 CO 0.42 0.50 0.94 0.20 -0.25 0.00 0.00 175.29 177.10 1bxh s GLY 167 N -2.30 1.77 -1.48 3.09 0.00 -1.26 -4.40 107.32 102.75 1bxh s GLY 167 Ca 0.22 -1.43 -0.09 0.00 0.00 0.00 0.00 44.72 43.41 1bxh s GLY 167 CO 0.14 -0.98 0.85 1.44 0.00 0.00 0.00 173.10 174.55 1bxh n SER 168 N -2.72 -3.33 -4.38 1.64 7.64 -0.42 -4.87 113.62 107.17 1bxh n SER 168 Ca 0.11 -0.83 -0.29 0.00 1.01 0.00 0.00 58.87 58.87 1bxh n SER 168 Cb 0.60 -3.77 -0.13 0.00 -1.01 0.00 0.00 64.21 59.90 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 -3.68 3.32 -0.08 6.43 0.15 -1.11 -4.95 113.70 113.78 1bxh s SER 169 Ca 0.44 -0.67 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 1bxh s SER 169 Cb -0.22 -0.28 0.04 0.00 -1.71 0.00 0.00 66.02 63.84 1bxh s SER 169 CO 0.84 0.21 0.19 0.54 1.20 0.00 0.00 173.24 176.22 1bxh s VAL 170 N -0.97 -0.03 0.08 4.45 0.11 -1.26 -0.82 120.40 121.95 1bxh s VAL 170 Ca 0.13 0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 59.20 1bxh s VAL 170 Cb -0.10 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1bxh s VAL 170 CO 0.05 0.05 0.24 -0.83 -3.33 0.00 0.00 175.10 171.27 1bxh s GLY 171 N 0.91 0.00 0.03 6.54 0.00 -0.87 -0.67 107.32 113.26 1bxh s GLY 171 Ca -0.07 -0.41 -0.13 0.00 0.00 0.00 0.00 44.72 44.12 1bxh s GLY 171 CO -0.05 -0.61 0.27 0.50 0.00 0.00 0.00 173.10 173.21 1bxh s ARG 172 N -3.51 0.75 -0.05 2.90 0.52 -0.72 -1.72 118.95 117.12 1bxh s ARG 172 Ca 0.02 -0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1bxh s ARG 172 Cb 0.03 0.32 0.03 0.00 0.52 0.00 0.00 34.95 35.85 1bxh s ARG 172 CO -0.09 -0.23 0.04 0.00 0.02 0.00 0.00 175.30 175.04 1bxh s ALA 173 N -2.33 0.37 0.05 2.13 0.00 -0.18 -1.22 121.76 120.59 1bxh s ALA 173 Ca -0.07 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1bxh s ALA 173 Cb -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1bxh s ALA 173 CO -0.02 -0.49 -0.17 -0.51 0.00 0.00 0.00 175.76 174.56 1bxh s LEU 174 N 2.11 2.67 0.29 0.00 1.02 -0.51 -0.68 118.68 123.58 1bxh s LEU 174 Ca 0.05 -0.43 -0.29 0.00 0.02 0.00 0.00 54.13 53.48 1bxh s LEU 174 Cb -0.12 -1.55 -0.10 0.00 0.02 0.00 0.00 46.19 44.44 1bxh s LEU 174 CO -0.04 0.24 1.19 0.12 0.02 0.00 0.00 176.35 177.88 1bxh s PHE 175 N -0.97 3.38 0.12 0.29 5.36 -0.51 -0.26 117.98 125.38 1bxh s PHE 175 Ca 0.15 1.56 -0.20 0.00 -0.96 0.00 0.00 56.93 57.48 1bxh s PHE 175 Cb -0.11 -3.44 -0.04 0.00 -0.34 0.00 0.00 43.02 39.09 1bxh s PHE 175 CO 0.06 -1.10 1.71 -0.92 -1.46 0.00 0.00 175.22 173.52 1bxh h TYR 176 N 3.86 -0.08 -3.79 10.12 3.20 -1.38 -3.43 116.97 125.47 1bxh h TYR 176 Ca -0.47 0.02 -0.49 0.00 3.14 0.00 0.00 58.73 60.92 1bxh h TYR 176 Cb 1.22 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 1bxh h TYR 176 CO 0.58 -0.07 0.40 0.00 -1.64 0.00 0.00 178.16 177.43 1bxh s ALA 177 N -6.20 3.35 0.54 1.82 0.00 -1.26 -5.02 121.76 114.98 1bxh s ALA 177 Ca -0.13 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 1bxh s ALA 177 Cb 0.10 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1bxh s ALA 177 CO 0.68 0.06 1.17 -2.14 0.00 0.00 0.00 175.76 175.53 1bxh s PRO 178 N -1.37 3.33 -0.11 0.00 0.02 -1.26 -4.82 135.00 130.78 1bxh s PRO 178 Ca 0.43 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 63.18 1bxh s PRO 178 Cb -0.28 -2.08 -0.02 0.00 0.02 0.00 0.00 34.50 32.14 1bxh s PRO 178 CO 0.35 -0.90 -0.08 0.08 -0.33 0.00 0.00 177.00 176.12 1bxh s VAL 179 N -1.65 3.55 -0.88 3.83 1.01 0.94 -4.94 120.40 122.27 1bxh s VAL 179 Ca 0.72 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 1bxh s VAL 179 Cb -0.27 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 33.72 1bxh s VAL 179 CO 0.31 0.54 1.12 -2.28 0.00 0.00 0.00 175.10 174.79 1bxh s HIS 180 N -0.07 2.96 -0.10 5.22 2.46 -1.26 -1.54 115.29 122.95 1bxh s HIS 180 Ca -0.00 -1.14 0.28 0.00 0.47 0.00 0.00 55.06 54.67 1bxh s HIS 180 Cb -0.13 -4.33 0.88 0.00 -0.13 0.00 0.00 32.58 28.87 1bxh s HIS 180 CO 0.03 -1.57 1.80 0.97 -2.47 0.00 0.00 174.74 173.50 1bxh h ILE 181 N 5.97 0.11 -2.16 0.89 6.09 -1.72 -3.47 117.51 123.22 1bxh h ILE 181 Ca 0.06 -0.84 0.14 0.00 -1.37 0.00 0.00 64.86 62.85 1bxh h ILE 181 Cb 1.03 1.76 -0.15 0.00 0.47 0.00 0.00 36.82 39.94 1bxh h ILE 181 CO 1.16 0.05 0.54 -1.66 -3.07 0.00 0.00 178.15 175.17 1bxh s TRP 182 N -3.47 -0.28 -0.14 2.19 1.48 -1.23 -4.81 118.94 112.69 1bxh s TRP 182 Ca 0.03 0.13 -0.14 0.00 -1.06 0.00 0.00 56.10 55.07 1bxh s TRP 182 Cb 0.08 0.55 0.04 0.00 -1.16 0.00 0.00 33.47 32.97 1bxh s TRP 182 CO 0.61 -0.53 0.39 -2.00 -4.06 0.00 0.00 176.95 171.37 1bxh s GLU 183 N -3.03 0.49 0.23 3.25 2.12 -1.26 -4.75 118.70 115.74 1bxh s GLU 183 Ca 0.07 0.49 -0.11 0.00 0.36 0.00 0.00 54.97 55.78 1bxh s GLU 183 Cb -0.01 0.24 0.31 0.00 0.26 0.00 0.00 34.13 34.93 1bxh s GLU 183 CO -0.07 -0.07 1.62 0.66 -0.54 0.00 0.00 175.26 176.86 1bxh h SER 184 N 5.35 -0.59 -0.92 -1.70 4.64 -2.02 -1.34 113.55 116.97 1bxh h SER 184 Ca -0.27 0.21 -0.51 0.00 -0.47 0.00 0.00 61.79 60.75 1bxh h SER 184 Cb 1.18 0.42 -0.20 0.00 -0.31 0.00 0.00 62.40 63.49 1bxh h SER 184 CO 0.27 -0.22 0.60 -1.20 -0.87 0.00 0.00 176.83 175.41 1bxh n SER 185 N -5.45 6.92 -4.72 4.97 7.64 -1.26 -4.95 113.62 116.78 1bxh n SER 185 Ca 0.10 -3.37 -0.35 0.00 1.01 0.00 0.00 58.87 56.26 1bxh n SER 185 Cb 0.38 -1.08 -0.08 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 -2.57 3.58 -0.01 -0.43 0.00 -0.51 -3.24 121.76 118.57 1bxh s ALA 186 Ca 0.49 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.54 1bxh s ALA 186 Cb 0.37 -1.98 -0.32 0.00 0.00 0.00 0.00 23.12 21.19 1bxh s ALA 186 CO -0.10 0.29 0.95 0.28 0.00 0.00 0.00 175.76 177.18 1bxh h VAL 187 N 4.58 1.42 -2.75 0.00 2.07 -0.25 -3.47 116.25 117.86 1bxh h VAL 187 Ca -0.43 -2.56 -0.12 0.00 0.82 0.00 0.00 66.70 64.41 1bxh h VAL 187 Cb 1.17 3.09 -0.25 0.00 -1.52 0.00 0.00 31.29 33.79 1bxh h VAL 187 CO 0.69 0.74 -0.26 -0.69 0.02 0.00 0.00 177.57 178.07 1bxh s VAL 188 N -2.56 -0.01 0.01 2.57 1.01 -1.14 -4.88 120.40 115.40 1bxh s VAL 188 Ca -0.12 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1bxh s VAL 188 Cb 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1bxh s VAL 188 CO 0.88 0.01 -0.07 0.00 0.00 0.00 0.00 175.10 175.92 1bxh s ALA 189 N 0.48 0.55 0.05 5.51 0.00 -1.26 0.01 121.76 127.10 1bxh s ALA 189 Ca -0.02 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 1bxh s ALA 189 Cb -0.04 -0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.07 1bxh s ALA 189 CO -0.02 0.09 0.68 -1.54 0.00 0.00 0.00 175.76 174.97 1bxh s SER 190 N -0.53 -0.56 0.12 0.00 1.04 -0.64 -0.50 113.70 112.63 1bxh s SER 190 Ca -0.01 0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.64 1bxh s SER 190 Cb -0.04 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1bxh s SER 190 CO -0.00 -0.78 0.13 0.72 0.98 0.00 0.00 173.24 174.29 1bxh s PHE 191 N -2.69 0.54 -0.12 5.02 -0.12 -0.69 -1.21 117.98 118.72 1bxh s PHE 191 Ca -0.03 -0.96 -0.10 0.00 -0.05 0.00 0.00 56.93 55.80 1bxh s PHE 191 Cb -0.01 -0.27 0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1bxh s PHE 191 CO -0.04 -0.56 0.31 -2.00 -0.05 0.00 0.00 175.22 172.88 1bxh s GLU 192 N -3.97 0.33 0.02 1.99 2.12 0.15 -2.34 118.70 117.00 1bxh s GLU 192 Ca 0.16 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.98 1bxh s GLU 192 Cb 0.06 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 1bxh s GLU 192 CO -0.03 -0.07 -0.06 0.00 -0.54 0.00 0.00 175.26 174.56 1bxh s ALA 193 N 0.47 0.42 -0.08 6.30 0.00 -0.35 -0.40 121.76 128.13 1bxh s ALA 193 Ca -0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 1bxh s ALA 193 Cb -0.04 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1bxh s ALA 193 CO -0.02 0.01 0.24 0.99 0.00 0.00 0.00 175.76 176.97 1bxh s THR 194 N -0.86 0.01 -0.15 0.00 2.01 -0.28 -1.22 115.64 115.14 1bxh s THR 194 Ca -0.06 -0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.59 1bxh s THR 194 Cb -0.07 -0.38 0.06 0.00 0.01 0.00 0.00 72.50 72.13 1bxh s THR 194 CO -0.00 -0.06 0.62 0.72 -0.69 0.00 0.00 174.62 175.21 1bxh s PHE 195 N -0.13 -0.63 -0.08 4.92 -0.71 -1.05 -0.30 117.98 120.00 1bxh s PHE 195 Ca -0.02 1.36 -0.01 0.00 -1.04 0.00 0.00 56.93 57.22 1bxh s PHE 195 Cb -0.03 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 1bxh s PHE 195 CO 0.01 -0.43 -0.03 0.95 -1.34 0.00 0.00 175.22 174.37 1bxh s THR 196 N -0.35 4.01 0.15 -4.49 -4.23 -0.66 -1.53 115.64 108.53 1bxh s THR 196 Ca -0.05 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 1bxh s THR 196 Cb -0.03 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 1bxh s THR 196 CO 0.04 0.60 -0.06 0.72 -0.54 0.00 0.00 174.62 175.38 1bxh s PHE 197 N -0.77 1.20 -0.25 3.99 -0.12 -0.03 -0.82 117.98 121.17 1bxh s PHE 197 Ca 0.12 -0.88 -0.02 0.00 -0.05 0.00 0.00 56.93 56.10 1bxh s PHE 197 Cb -0.11 -0.66 0.08 0.00 -0.63 0.00 0.00 43.02 41.70 1bxh s PHE 197 CO 0.02 -0.06 0.06 -1.17 -0.05 0.00 0.00 175.22 174.02 1bxh s LEU 198 N -3.16 1.79 -0.34 -1.99 2.96 0.37 -0.52 118.68 117.80 1bxh s LEU 198 Ca 0.19 -1.25 -0.11 0.00 -0.22 0.00 0.00 54.13 52.73 1bxh s LEU 198 Cb 0.04 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 1bxh s LEU 198 CO 0.01 -0.35 0.20 -0.63 -1.32 0.00 0.00 176.35 174.26 1bxh s ILE 199 N 1.71 4.90 -0.16 6.68 1.01 -1.26 -2.72 121.20 131.36 1bxh s ILE 199 Ca 0.04 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1bxh s ILE 199 Cb -0.17 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.76 1bxh s ILE 199 CO -0.17 -0.02 -0.21 -0.75 0.00 0.00 0.00 174.94 173.79 1bxh s LYS 200 N 1.65 3.01 -0.23 2.79 2.20 -1.23 -1.17 119.74 126.76 1bxh s LYS 200 Ca 0.05 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 1bxh s LYS 200 Cb -0.18 -2.51 0.05 0.00 -1.51 0.00 0.00 37.83 33.69 1bxh s LYS 200 CO 0.08 -0.11 -0.11 0.45 -0.36 0.00 0.00 175.35 175.30 1bxh s SER 201 N 1.06 3.96 -0.07 1.43 0.15 -1.26 -0.92 113.70 118.05 1bxh s SER 201 Ca -0.01 -1.16 -0.26 0.00 0.70 0.00 0.00 55.95 55.22 1bxh s SER 201 Cb -0.14 -1.41 -0.21 0.00 -1.71 0.00 0.00 66.02 62.54 1bxh s SER 201 CO -0.08 -0.16 1.00 -0.65 1.20 0.00 0.00 173.24 174.55 1bxh h PRO 202 N 7.86 -0.03 0.00 5.44 0.11 -1.94 -3.47 132.00 139.97 1bxh h PRO 202 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1bxh h PRO 202 Cb 1.07 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1bxh h PRO 202 CO 0.48 0.62 0.00 -0.40 -0.21 0.00 0.00 178.00 178.49 1bxh n ASP 203 N -4.78 -0.13 0.00 -2.05 5.75 -1.26 -5.02 116.55 109.07 1bxh n ASP 203 Ca -0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 1bxh n ASP 203 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.27 0.00 -4.93 -1.12 7.64 -1.26 -4.83 113.62 108.85 1bxh n SER 204 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 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 3.40 0.38 1.43 3.76 -1.26 -5.09 115.29 117.91 1bxh s HIS 205 Ca 0.00 0.02 -0.16 0.00 -0.15 0.00 0.00 55.06 54.77 1bxh s HIS 205 Cb 0.00 -1.58 -0.09 0.00 1.11 0.00 0.00 32.58 32.02 1bxh s HIS 205 CO 0.00 0.48 0.82 -2.14 -0.85 0.00 0.00 174.74 173.05 1bxh s PRO 206 N -3.64 4.02 -0.16 8.40 0.02 -1.26 -4.17 135.00 138.21 1bxh s PRO 206 Ca 0.34 0.79 -0.31 0.00 0.02 0.00 0.00 61.00 61.84 1bxh s PRO 206 Cb -0.10 -2.33 0.14 0.00 0.02 0.00 0.00 34.50 32.23 1bxh s PRO 206 CO 0.28 0.04 1.08 0.00 -0.33 0.00 0.00 177.00 178.07 1bxh s ALA 207 N -2.16 -1.97 -0.14 -1.55 0.00 -1.16 -4.06 121.76 110.71 1bxh s ALA 207 Ca 0.56 1.56 0.13 0.00 0.00 0.00 0.00 51.96 54.21 1bxh s ALA 207 Cb -0.10 -0.58 -0.19 0.00 0.00 0.00 0.00 23.12 22.25 1bxh s ALA 207 CO 0.20 -0.40 0.35 -0.25 0.00 0.00 0.00 175.76 175.65 1bxh n ASP 208 N 0.40 1.68 0.00 0.00 8.00 0.76 -2.65 116.55 124.73 1bxh n ASP 208 Ca -0.06 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1bxh n ASP 208 Cb 0.59 1.48 0.00 0.00 -0.02 0.00 0.00 41.12 43.17 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 1.65 2.59 3.33 0.44 0.00 -1.22 -2.59 105.19 109.40 1bxh n GLY 209 Ca -0.01 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.75 1.90 -0.06 -0.61 1.01 -0.70 -2.64 121.20 118.34 1bxh s ILE 210 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 60.65 58.81 1bxh s ILE 210 Cb 0.00 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.72 1bxh s ILE 210 CO 0.00 -0.11 0.25 0.00 0.00 0.00 0.00 174.94 175.08 1bxh s ALA 211 N -1.44 -0.62 -0.18 9.38 0.00 0.16 0.36 121.76 129.41 1bxh s ALA 211 Ca 0.12 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 1bxh s ALA 211 Cb -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1bxh s ALA 211 CO 0.06 -0.17 0.21 0.12 0.00 0.00 0.00 175.76 175.97 1bxh s PHE 212 N -0.52 3.44 0.08 0.00 5.36 -0.52 -0.13 117.98 125.69 1bxh s PHE 212 Ca -0.06 0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 56.37 1bxh s PHE 212 Cb -0.04 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.37 1bxh s PHE 212 CO 0.02 0.29 -0.01 -0.59 -1.46 0.00 0.00 175.22 173.46 1bxh s PHE 213 N 0.34 0.65 -0.02 10.12 -0.71 -0.14 -1.19 117.98 127.02 1bxh s PHE 213 Ca 0.12 -1.10 0.06 0.00 -1.04 0.00 0.00 56.93 54.97 1bxh s PHE 213 Cb -0.12 -0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 41.25 1bxh s PHE 213 CO 0.01 -0.39 -0.19 0.42 -1.34 0.00 0.00 175.22 173.73 1bxh s ILE 214 N -3.92 1.51 0.34 -4.49 1.01 -0.22 -1.13 121.20 114.29 1bxh s ILE 214 Ca 0.12 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1bxh s ILE 214 Cb 0.08 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.30 1bxh s ILE 214 CO -0.06 0.43 0.58 -0.94 0.00 0.00 0.00 174.94 174.94 1bxh s SER 215 N -0.33 0.46 0.60 3.58 1.04 -0.66 -2.16 113.70 116.23 1bxh s SER 215 Ca 0.04 -1.28 -0.19 0.00 0.48 0.00 0.00 55.95 55.01 1bxh s SER 215 Cb -0.09 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1bxh s SER 215 CO 0.00 -1.40 1.21 0.54 0.98 0.00 0.00 173.24 174.57 1bxh s ASN 216 N -3.15 5.16 0.29 7.02 4.22 -1.21 -1.36 114.94 125.91 1bxh s ASN 216 Ca 0.24 2.38 0.04 0.00 -2.14 0.00 0.00 52.86 53.38 1bxh s ASN 216 Cb -0.02 -2.60 0.73 0.00 1.28 0.00 0.00 41.25 40.64 1bxh s ASN 216 CO 0.16 -1.61 1.69 0.40 -2.04 0.00 0.00 177.10 175.69 1bxh h ILE 217 N 0.84 0.44 -0.55 0.54 2.04 -1.85 -2.34 117.51 116.63 1bxh h ILE 217 Ca -0.50 -0.12 -0.22 0.00 1.00 0.00 0.00 64.86 65.01 1bxh h ILE 217 Cb 1.30 0.05 -0.13 0.00 -0.74 0.00 0.00 36.82 37.30 1bxh h ILE 217 CO 0.55 0.07 0.28 -0.90 0.00 0.00 0.00 178.15 178.15 1bxh n ASP 218 N -5.08 3.70 -4.77 1.72 5.75 -1.26 -4.83 116.55 111.78 1bxh n ASP 218 Ca 0.22 -2.89 -0.38 0.00 -0.01 0.00 0.00 54.79 51.72 1bxh n ASP 218 Cb 0.67 -0.69 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.49 6.25 0.16 -1.12 0.15 -0.88 -5.05 113.70 112.71 1bxh s SER 219 Ca 0.36 2.47 -0.04 0.00 0.70 0.00 0.00 55.95 59.44 1bxh s SER 219 Cb 0.30 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 1bxh s SER 219 CO 0.08 -0.88 0.16 -0.94 1.20 0.00 0.00 173.24 172.87 1bxh s SER 220 N -1.05 0.18 0.11 5.45 1.04 -1.26 -5.09 113.70 113.09 1bxh s SER 220 Ca 0.60 -1.10 -0.31 0.00 0.48 0.00 0.00 55.95 55.62 1bxh s SER 220 Cb -0.33 0.37 -0.10 0.00 0.10 0.00 0.00 66.02 66.06 1bxh s SER 220 CO 0.42 -0.82 1.70 -0.63 0.98 0.00 0.00 173.24 174.89 1bxh s ILE 221 N -4.03 2.73 0.35 -1.02 1.01 -1.26 -4.96 121.20 114.01 1bxh s ILE 221 Ca 0.23 0.30 -0.27 0.00 0.00 0.00 0.00 60.65 60.92 1bxh s ILE 221 Cb 0.06 -3.20 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 1bxh s ILE 221 CO 0.03 0.01 1.20 -2.84 0.00 0.00 0.00 174.94 173.33 1bxh s PRO 222 N 2.30 4.28 0.34 2.79 0.02 -1.26 -4.95 135.00 138.51 1bxh s PRO 222 Ca 0.76 1.95 -0.29 0.00 0.02 0.00 0.00 61.00 63.44 1bxh s PRO 222 Cb -0.43 -2.92 -0.11 0.00 0.02 0.00 0.00 34.50 31.06 1bxh s PRO 222 CO 0.33 -0.16 1.51 -1.12 -0.33 0.00 0.00 177.00 177.23 1bxh s SER 223 N -0.87 6.40 -1.38 2.53 0.01 -1.26 -2.16 113.70 116.98 1bxh s SER 223 Ca 0.52 2.97 0.00 0.00 1.31 0.00 0.00 55.95 60.75 1bxh s SER 223 Cb -0.34 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.24 1bxh s SER 223 CO 0.44 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1bxh n GLY 224 N 1.14 1.36 1.26 3.44 0.00 -1.26 -4.88 105.19 106.24 1bxh n GLY 224 Ca 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.38 3.07 -3.81 1.61 3.41 -0.92 -4.87 113.62 111.74 1bxh n SER 225 Ca -0.13 -2.38 -0.28 0.00 -0.26 0.00 0.00 58.87 55.81 1bxh n SER 225 Cb 0.46 -0.58 0.20 0.00 -0.26 0.00 0.00 64.21 64.03 1bxh n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1bxh n THR 226 N 0.10 0.00 -2.60 6.66 -2.24 -1.26 -0.49 114.28 114.44 1bxh n THR 226 Ca 0.14 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1bxh n THR 226 Cb 0.76 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1bxh n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxh n GLY 227 N -3.43 3.31 0.39 3.38 0.00 -0.79 -3.12 105.19 104.93 1bxh n GLY 227 Ca 0.16 -0.24 0.20 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.90 -2.05 114.38 112.14 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 -0.03 1.28 0.10 0.00 0.00 179.97 181.32 1bxh n LEU 229 N -3.48 0.26 -2.03 0.08 4.77 -1.18 -4.93 117.00 110.48 1bxh n LEU 229 Ca 0.07 0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1bxh n LEU 229 Cb 0.65 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1bxh n LEU 229 CO 0.24 0.05 -0.12 0.18 -1.33 0.00 0.00 177.39 176.40 1bxh n LEU 230 N -0.98 -0.91 -0.76 2.23 4.77 -0.77 -1.06 117.00 119.52 1bxh n LEU 230 Ca 0.18 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.31 1bxh n LEU 230 Cb 0.22 -1.89 -0.04 0.00 -2.33 0.00 0.00 43.42 39.38 1bxh n LEU 230 CO 0.21 -0.27 -0.09 0.61 -1.33 0.00 0.00 177.39 176.51 1bxh n GLY 231 N -0.56 1.05 0.04 -0.72 0.00 0.36 -4.20 105.19 101.16 1bxh n GLY 231 Ca -0.12 -0.17 -0.05 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 -1.12 2.21 -4.45 0.99 4.77 -0.23 -4.52 117.00 114.65 1bxh n LEU 232 Ca -0.10 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.55 1bxh n LEU 232 Cb 0.46 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.26 1bxh n LEU 232 CO 0.15 0.51 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.87 1bxh s PHE 233 N -2.16 2.53 0.29 -1.77 0.08 -1.16 -4.81 117.98 110.97 1bxh s PHE 233 Ca -0.09 -0.27 0.10 0.00 0.12 0.00 0.00 56.93 56.78 1bxh s PHE 233 Cb 0.03 -1.42 0.43 0.00 -0.57 0.00 0.00 43.02 41.48 1bxh s PHE 233 CO 0.21 0.28 1.66 -1.00 -0.10 0.00 0.00 175.22 176.27 1bxh h PRO 234 N 4.32 0.06 0.00 0.24 0.13 -1.92 -3.43 132.00 131.41 1bxh h PRO 234 Ca -0.48 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.32 1bxh h PRO 234 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1bxh h PRO 234 CO 0.47 0.59 -0.16 -0.40 -0.23 0.00 0.00 178.00 178.27 1bxh n ASP 235 N -3.90 -1.34 -1.96 1.44 5.68 -1.26 -4.88 116.55 110.33 1bxh n ASP 235 Ca -0.02 -2.90 -0.10 0.00 -0.50 0.00 0.00 54.79 51.28 1bxh n ASP 235 Cb 0.56 2.51 0.25 0.00 -1.14 0.00 0.00 41.12 43.30 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 -0.70 4.64 1.70 2.12 0.00 -1.26 -4.71 120.51 122.29 1bxh n ALA 236 Ca -0.13 -2.23 0.14 0.00 0.00 0.00 0.00 53.44 51.21 1bxh n ALA 236 Cb 0.59 -1.28 0.81 0.00 0.00 0.00 0.00 19.45 19.56 1bxh n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59