#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 5.70 -0.25 0.00 1.01 -1.26 -5.08 116.67 116.79 1bxh s ASP 2 Ca 0.00 0.20 -0.05 0.00 0.71 0.00 0.00 52.55 53.41 1bxh s ASP 2 Cb 0.00 -1.36 0.00 0.00 1.01 0.00 0.00 42.92 42.57 1bxh s ASP 2 CO 0.00 -0.80 0.00 -0.89 0.21 0.00 0.00 175.17 173.69 1bxh s THR 3 N -2.60 3.54 -0.03 -1.27 2.01 -1.26 -5.02 115.64 111.01 1bxh s THR 3 Ca 0.50 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.93 1bxh s THR 3 Cb -0.10 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1bxh s THR 3 CO 0.38 0.26 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.71 1bxh s ILE 4 N 1.46 1.81 -0.08 1.82 -1.09 -1.26 -3.34 121.20 120.53 1bxh s ILE 4 Ca 0.04 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1bxh s ILE 4 Cb -0.16 -1.51 0.02 0.00 -1.58 0.00 0.00 42.46 39.23 1bxh s ILE 4 CO -0.01 0.51 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.44 1bxh s VAL 5 N -0.41 0.93 0.10 2.92 1.01 -0.97 0.53 120.40 124.51 1bxh s VAL 5 Ca 0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 1bxh s VAL 5 Cb -0.10 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1bxh s VAL 5 CO 0.00 0.33 0.23 0.00 0.00 0.00 0.00 175.10 175.66 1bxh s ALA 6 N 1.12 -0.33 -0.23 5.51 0.00 0.33 -1.11 121.76 127.05 1bxh s ALA 6 Ca -0.07 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1bxh s ALA 6 Cb -0.14 0.55 0.05 0.00 0.00 0.00 0.00 23.12 23.58 1bxh s ALA 6 CO -0.01 -0.54 -0.13 0.08 0.00 0.00 0.00 175.76 175.15 1bxh s VAL 7 N -3.86 2.04 -0.05 0.00 1.01 -0.36 0.14 120.40 119.32 1bxh s VAL 7 Ca 0.06 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 1bxh s VAL 7 Cb 0.04 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1bxh s VAL 7 CO -0.10 0.15 0.15 -1.83 0.00 0.00 0.00 175.10 173.46 1bxh s GLU 8 N 1.20 3.37 -0.67 2.72 -1.05 0.14 -1.60 118.70 122.83 1bxh s GLU 8 Ca -0.04 -0.27 -0.04 0.00 -0.15 0.00 0.00 54.97 54.46 1bxh s GLU 8 Cb -0.18 -3.09 0.17 0.00 -0.44 0.00 0.00 34.13 30.60 1bxh s GLU 8 CO -0.08 0.71 0.50 -0.51 0.95 0.00 0.00 175.26 176.84 1bxh s LEU 9 N -1.53 5.44 -0.38 1.83 1.02 0.14 -1.55 118.68 123.66 1bxh s LEU 9 Ca 0.22 -2.89 -0.21 0.00 0.02 0.00 0.00 54.13 51.26 1bxh s LEU 9 Cb -0.12 -1.90 0.01 0.00 0.02 0.00 0.00 46.19 44.20 1bxh s LEU 9 CO 0.12 -0.38 0.69 -0.62 0.02 0.00 0.00 176.35 176.17 1bxh s ASP 10 N 0.80 6.43 0.10 2.29 -1.08 0.45 -1.53 116.67 124.14 1bxh s ASP 10 Ca 0.18 0.08 0.20 0.00 -0.52 0.00 0.00 52.55 52.49 1bxh s ASP 10 Cb -0.18 -2.35 -0.10 0.00 -1.46 0.00 0.00 42.92 38.83 1bxh s ASP 10 CO -0.04 -0.69 0.86 0.35 0.52 0.00 0.00 175.17 176.16 1bxh n THR 11 N 5.74 0.83 -3.92 1.71 -2.24 -1.10 -0.99 114.28 114.32 1bxh n THR 11 Ca 0.00 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.81 1bxh n THR 11 Cb 0.48 -0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 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 -3.16 2.96 -0.50 4.78 5.04 -1.24 -4.47 117.35 120.75 1bxh s TYR 12 Ca -0.03 -0.93 -0.28 0.00 -2.44 0.00 0.00 57.07 53.40 1bxh s TYR 12 Cb 0.09 -2.10 0.01 0.00 0.35 0.00 0.00 41.96 40.31 1bxh s TYR 12 CO 0.81 -0.54 1.49 -2.14 -1.34 0.00 0.00 175.55 173.83 1bxh s PRO 13 N 1.46 3.32 -1.04 4.97 0.02 -1.26 -4.90 135.00 137.57 1bxh s PRO 13 Ca 0.06 0.69 -0.03 0.00 0.02 0.00 0.00 61.00 61.74 1bxh s PRO 13 Cb -0.14 -4.13 0.31 0.00 0.02 0.00 0.00 34.50 30.56 1bxh s PRO 13 CO -0.03 -1.90 1.51 0.09 -0.33 0.00 0.00 177.00 176.34 1bxh n ASN 14 N 9.71 6.45 -0.34 2.53 4.13 -1.26 -4.85 115.26 131.64 1bxh n ASN 14 Ca 0.15 -3.48 0.32 0.00 1.68 0.00 0.00 54.58 53.25 1bxh n ASN 14 Cb 0.49 -1.20 0.68 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 3.15 0.41 -0.62 3.41 1.35 -1.81 0.16 112.91 118.95 1bxh h THR 15 Ca 0.27 -0.04 0.06 0.00 -0.55 0.00 0.00 66.41 66.15 1bxh h THR 15 Cb 0.55 0.29 -0.04 0.00 -1.73 0.00 0.00 68.15 67.22 1bxh h THR 15 CO 1.27 0.02 0.41 -2.24 -0.25 0.00 0.00 175.52 174.73 1bxh h ASP 16 N 0.12 0.56 -0.59 5.36 3.04 -1.88 -2.07 116.42 120.95 1bxh h ASP 16 Ca 0.59 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.39 1bxh h ASP 16 Cb 2.10 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 40.27 1bxh h ASP 16 CO -0.11 0.37 0.00 2.30 -2.04 0.00 0.00 179.24 179.75 1bxh n ILE 17 N -4.47 2.65 0.00 4.15 -5.35 0.54 -4.93 119.36 111.94 1bxh n ILE 17 Ca 0.09 -1.37 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 1bxh n ILE 17 Cb 0.22 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 0.71 2.80 3.72 3.28 0.00 -0.78 -4.71 105.19 110.21 1bxh n GLY 18 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 2.65 -4.45 1.61 8.00 -1.19 -4.93 116.55 118.24 1bxh n ASP 19 Ca 0.00 1.05 -0.29 0.00 0.71 0.00 0.00 54.79 56.26 1bxh n ASP 19 Cb 0.00 -1.54 0.20 0.00 -0.02 0.00 0.00 41.12 39.76 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 -2.53 -0.16 -0.54 -0.24 0.02 -1.26 -3.94 135.00 126.35 1bxh s PRO 20 Ca 0.66 0.36 -0.04 0.00 0.02 0.00 0.00 61.00 62.00 1bxh s PRO 20 Cb -0.46 -1.68 0.07 0.00 0.02 0.00 0.00 34.50 32.45 1bxh s PRO 20 CO 0.54 -3.09 2.74 -1.13 -0.33 0.00 0.00 177.00 175.73 1bxh n SER 21 N -4.40 6.63 -3.59 2.53 3.41 -1.26 -4.60 113.62 112.34 1bxh n SER 21 Ca 0.07 -3.20 -0.04 0.00 -0.26 0.00 0.00 58.87 55.44 1bxh n SER 21 Cb 0.58 -1.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 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 -1.64 -0.13 0.43 7.33 -0.85 -1.26 -5.00 117.35 116.22 1bxh s TYR 22 Ca 0.58 0.08 -0.24 0.00 -0.52 0.00 0.00 57.07 56.97 1bxh s TYR 22 Cb 0.36 0.52 -0.10 0.00 0.38 0.00 0.00 41.96 43.12 1bxh s TYR 22 CO -0.21 -0.21 1.02 -2.30 -1.52 0.00 0.00 175.55 172.33 1bxh n PRO 23 N -0.11 1.37 -3.62 -3.49 -0.02 -1.26 -4.71 135.00 123.16 1bxh n PRO 23 Ca 0.00 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 1bxh n PRO 23 Cb 0.58 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.28 -0.35 0.00 6.00 -3.43 -0.16 -1.44 115.29 114.64 1bxh s HIS 24 Ca 0.64 0.03 0.06 0.00 -0.80 0.00 0.00 55.06 54.98 1bxh s HIS 24 Cb -0.55 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.14 1bxh s HIS 24 CO 0.56 -0.98 -0.16 0.96 -2.00 0.00 0.00 174.74 173.12 1bxh s ILE 25 N -3.83 2.92 0.21 -5.38 -4.36 -0.80 -0.41 121.20 109.54 1bxh s ILE 25 Ca 0.06 -0.98 -0.10 0.00 -0.26 0.00 0.00 60.65 59.36 1bxh s ILE 25 Cb -0.03 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 1bxh s ILE 25 CO -0.05 0.45 0.36 -0.83 0.24 0.00 0.00 174.94 175.11 1bxh s GLY 26 N -1.14 0.60 -0.24 6.27 0.00 -0.59 -1.33 107.32 110.89 1bxh s GLY 26 Ca 0.14 -0.95 -0.03 0.00 0.00 0.00 0.00 44.72 43.88 1bxh s GLY 26 CO 0.03 -0.79 -0.06 -0.42 0.00 0.00 0.00 173.10 171.87 1bxh s ILE 27 N -4.01 3.06 -0.23 0.90 1.01 -0.77 -0.68 121.20 120.48 1bxh s ILE 27 Ca 0.22 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 1bxh s ILE 27 Cb 0.02 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1bxh s ILE 27 CO 0.05 0.29 0.05 -1.81 0.00 0.00 0.00 174.94 173.53 1bxh s ASP 28 N 1.39 5.11 -0.40 3.58 1.01 0.12 -0.93 116.67 126.56 1bxh s ASP 28 Ca 0.03 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.08 1bxh s ASP 28 Cb -0.16 -1.90 0.10 0.00 1.01 0.00 0.00 42.92 41.97 1bxh s ASP 28 CO -0.04 0.02 0.19 -0.63 0.21 0.00 0.00 175.17 174.91 1bxh s ILE 29 N 1.30 3.43 -1.89 0.77 -1.09 -1.26 -0.51 121.20 121.95 1bxh s ILE 29 Ca 0.05 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.61 1bxh s ILE 29 Cb -0.15 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1bxh s ILE 29 CO 0.03 -0.59 0.00 0.29 -1.23 0.00 0.00 174.94 173.44 1bxh n LYS 30 N 4.66 -1.43 -3.63 2.79 5.02 0.19 -4.92 118.16 120.84 1bxh n LYS 30 Ca -0.05 1.07 -0.12 0.00 -2.02 0.00 0.00 58.31 57.19 1bxh n LYS 30 Cb 0.42 -5.41 -0.07 0.00 -0.02 0.00 0.00 35.03 29.95 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 -2.54 -0.61 0.14 4.39 0.15 -1.26 -4.94 113.70 109.03 1bxh s SER 31 Ca 0.00 1.16 0.18 0.00 0.70 0.00 0.00 55.95 57.99 1bxh s SER 31 Cb 0.00 1.17 0.77 0.00 -1.71 0.00 0.00 66.02 66.25 1bxh s SER 31 CO 0.00 -0.21 1.55 0.55 1.20 0.00 0.00 173.24 176.33 1bxh n VAL 32 N 2.42 1.01 -2.84 4.45 3.14 -1.26 -4.20 118.33 121.05 1bxh n VAL 32 Ca -0.13 0.30 -0.43 0.00 -2.96 0.00 0.00 64.34 61.12 1bxh n VAL 32 Cb 0.55 -1.17 -0.03 0.00 -1.06 0.00 0.00 33.84 32.14 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 -3.18 3.61 0.09 1.45 0.52 -1.26 -4.97 118.95 115.21 1bxh s ARG 33 Ca 0.04 -1.63 -0.34 0.00 -0.52 0.00 0.00 55.73 53.28 1bxh s ARG 33 Cb 0.08 -5.03 -0.18 0.00 0.52 0.00 0.00 34.95 30.34 1bxh s ARG 33 CO 0.29 -1.88 0.81 0.43 0.02 0.00 0.00 175.30 174.97 1bxh n SER 34 N 7.09 -0.57 0.24 0.23 7.64 -1.26 -4.84 113.62 122.15 1bxh n SER 34 Ca 0.27 1.13 0.15 0.00 1.01 0.00 0.00 58.87 61.43 1bxh n SER 34 Cb 0.49 -0.92 0.45 0.00 -1.01 0.00 0.00 64.21 63.22 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 2.06 0.00 -1.83 1.43 1.79 -1.37 -3.45 116.57 115.21 1bxh h LYS 35 Ca -0.40 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.08 1bxh h LYS 35 Cb 1.42 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.84 1bxh h LYS 35 CO 0.61 0.00 0.26 0.21 -1.08 0.00 0.00 179.45 179.44 1bxh s LYS 36 N -3.43 0.68 0.30 3.15 2.20 -1.25 -5.02 119.74 116.37 1bxh s LYS 36 Ca 0.04 0.85 0.03 0.00 -0.36 0.00 0.00 55.97 56.53 1bxh s LYS 36 Cb 0.07 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 1bxh s LYS 36 CO 0.59 -0.09 0.09 0.95 -0.36 0.00 0.00 175.35 176.53 1bxh s THR 37 N 0.45 0.81 -0.12 3.43 -4.23 -1.26 -1.85 115.64 112.86 1bxh s THR 37 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1bxh s THR 37 Cb -0.05 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.14 1bxh s THR 37 CO -0.04 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 174.36 1bxh s ALA 38 N -3.53 -0.78 0.33 3.99 0.00 -0.44 -4.98 121.76 116.35 1bxh s ALA 38 Ca 0.36 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 1bxh s ALA 38 Cb 0.08 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 22.59 1bxh s ALA 38 CO 0.15 -0.15 1.44 0.21 0.00 0.00 0.00 175.76 177.40 1bxh s LYS 39 N 0.11 4.21 -0.17 0.00 2.20 -1.26 -1.91 119.74 122.92 1bxh s LYS 39 Ca -0.01 2.42 -0.01 0.00 -0.36 0.00 0.00 55.97 58.02 1bxh s LYS 39 Cb -0.02 -3.03 0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1bxh s LYS 39 CO 0.01 -0.43 -0.04 -0.46 -0.36 0.00 0.00 175.35 174.07 1bxh s TRP 40 N -0.80 1.61 -1.30 4.03 -0.00 -0.52 -4.76 118.94 117.20 1bxh s TRP 40 Ca 0.54 -1.05 -0.17 0.00 -0.00 0.00 0.00 56.10 55.42 1bxh s TRP 40 Cb -0.44 -1.27 0.09 0.00 -0.00 0.00 0.00 33.47 31.85 1bxh s TRP 40 CO 0.55 -0.61 1.73 0.09 -0.00 0.00 0.00 176.95 178.71 1bxh n ASN 41 N 4.90 4.91 -4.75 5.86 3.02 -1.26 -4.30 115.26 123.63 1bxh n ASN 41 Ca -0.11 -2.93 -0.39 0.00 -0.03 0.00 0.00 54.58 51.12 1bxh n ASN 41 Cb 0.47 -1.70 0.03 0.00 -0.61 0.00 0.00 39.78 37.97 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 7.62 1.94 -4.04 3.52 0.00 -1.26 -4.99 117.12 119.92 1bxh n MET 42 Ca 0.47 0.70 -0.31 0.00 -0.00 0.00 0.00 57.70 58.56 1bxh n MET 42 Cb 0.45 -2.60 -0.15 0.00 0.00 0.00 0.00 33.22 30.92 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 -2.68 1.88 0.25 2.12 -0.21 -1.26 -5.10 119.66 114.67 1bxh s GLN 43 Ca 0.67 -1.54 -0.31 0.00 0.02 0.00 0.00 55.36 54.20 1bxh s GLN 43 Cb -0.43 -2.99 -0.14 0.00 1.00 0.00 0.00 33.01 30.45 1bxh s GLN 43 CO 0.53 -0.73 1.31 -1.71 -2.12 0.00 0.00 175.29 172.58 1bxh n ASN 44 N 4.38 2.42 0.00 5.90 2.85 -1.26 -2.23 115.26 127.31 1bxh n ASN 44 Ca -0.06 1.16 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 1bxh n ASN 44 Cb 0.42 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.05 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 1.81 1.84 3.88 8.20 0.00 -0.29 -5.00 105.19 115.63 1bxh n GLY 45 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.05 3.41 0.08 1.61 1.02 -0.95 -4.92 119.74 119.94 1bxh s LYS 46 Ca 0.00 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.43 1bxh s LYS 46 Cb 0.00 -3.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 1bxh s LYS 46 CO 0.00 0.72 1.27 0.08 -0.92 0.00 0.00 175.35 176.50 1bxh s VAL 47 N -1.19 3.77 0.36 3.17 1.01 -1.26 -4.35 120.40 121.92 1bxh s VAL 47 Ca 0.22 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.52 1bxh s VAL 47 Cb -0.12 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1bxh s VAL 47 CO 0.12 0.10 0.04 -0.83 0.00 0.00 0.00 175.10 174.53 1bxh s GLY 48 N 1.09 2.28 0.01 4.51 0.00 0.26 -4.55 107.32 110.91 1bxh s GLY 48 Ca 0.61 -2.05 0.04 0.00 0.00 0.00 0.00 44.72 43.32 1bxh s GLY 48 CO 0.29 -1.93 -0.14 -1.59 0.00 0.00 0.00 173.10 169.74 1bxh s THR 49 N -3.08 1.08 -0.02 0.90 2.01 0.11 -1.03 115.64 115.61 1bxh s THR 49 Ca 0.34 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.64 1bxh s THR 49 Cb 0.09 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1bxh s THR 49 CO 0.16 0.15 -0.22 0.00 -0.69 0.00 0.00 174.62 174.02 1bxh s ALA 50 N -0.57 1.83 -0.09 7.40 0.00 -0.64 -0.75 121.76 128.94 1bxh s ALA 50 Ca 0.03 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1bxh s ALA 50 Cb -0.06 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1bxh s ALA 50 CO 0.00 0.45 -0.09 -1.01 0.00 0.00 0.00 175.76 175.11 1bxh s HIS 51 N -0.50 1.45 -0.04 0.00 3.76 0.11 -2.53 115.29 117.53 1bxh s HIS 51 Ca 0.08 -0.64 0.07 0.00 -0.15 0.00 0.00 55.06 54.42 1bxh s HIS 51 Cb -0.09 -1.15 -0.01 0.00 1.11 0.00 0.00 32.58 32.44 1bxh s HIS 51 CO -0.01 -0.41 -0.25 0.42 -0.85 0.00 0.00 174.74 173.64 1bxh s ILE 52 N 1.26 2.09 0.04 0.60 1.09 -0.29 -0.51 121.20 125.48 1bxh s ILE 52 Ca -0.03 -1.07 -0.01 0.00 -1.10 0.00 0.00 60.65 58.43 1bxh s ILE 52 Cb -0.14 -1.74 -0.03 0.00 -1.06 0.00 0.00 42.46 39.49 1bxh s ILE 52 CO -0.03 0.57 -0.01 0.27 -0.10 0.00 0.00 174.94 175.64 1bxh s ILE 53 N -0.34 0.18 -0.21 2.92 -4.36 -0.16 -1.13 121.20 118.10 1bxh s ILE 53 Ca 0.02 -1.49 -0.28 0.00 -0.26 0.00 0.00 60.65 58.64 1bxh s ILE 53 Cb -0.12 -1.13 0.11 0.00 1.25 0.00 0.00 42.46 42.57 1bxh s ILE 53 CO 0.02 -0.82 0.96 -0.47 0.24 0.00 0.00 174.94 174.87 1bxh s TYR 54 N -3.16 -0.48 -0.04 1.37 5.04 -0.96 -1.90 117.35 117.22 1bxh s TYR 54 Ca -0.00 1.01 -0.08 0.00 -2.44 0.00 0.00 57.07 55.56 1bxh s TYR 54 Cb 0.02 0.39 0.01 0.00 0.35 0.00 0.00 41.96 42.74 1bxh s TYR 54 CO -0.07 -0.32 0.19 0.54 -1.34 0.00 0.00 175.55 174.55 1bxh s ASN 55 N -0.41 -0.12 0.22 4.32 2.20 -1.26 -1.77 114.94 118.13 1bxh s ASN 55 Ca -0.00 0.13 0.22 0.00 -0.94 0.00 0.00 52.86 52.26 1bxh s ASN 55 Cb -0.03 0.33 0.93 0.00 -2.00 0.00 0.00 41.25 40.48 1bxh s ASN 55 CO -0.01 -0.24 1.66 -1.54 -2.94 0.00 0.00 177.10 174.03 1bxh n SER 56 N 2.16 0.56 -0.00 3.54 3.41 0.44 -1.22 113.62 122.51 1bxh n SER 56 Ca -0.18 0.65 -0.12 0.00 -0.26 0.00 0.00 58.87 58.96 1bxh n SER 56 Cb 0.57 -0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 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 1.25 0.00 -3.33 2.07 -1.90 -3.31 116.25 111.02 1bxh h VAL 57 Ca 0.00 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1bxh h VAL 57 Cb 0.31 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1bxh h VAL 57 CO 0.00 0.33 -0.38 0.44 0.02 0.00 0.00 177.57 177.98 1bxh h ASP 58 N -0.76 0.00 -6.15 0.57 3.32 -1.97 -3.47 116.42 107.96 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 0.61 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.22 1bxh h ASP 58 CO 0.01 0.02 -0.89 0.29 -1.72 0.00 0.00 179.24 176.96 1bxh n LYS 59 N -2.96 -2.96 -3.70 3.56 5.02 -0.35 -4.89 118.16 111.89 1bxh n LYS 59 Ca 0.02 0.54 -0.22 0.00 -2.02 0.00 0.00 58.31 56.64 1bxh n LYS 59 Cb 0.55 -4.73 -0.18 0.00 -0.02 0.00 0.00 35.03 30.65 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 -5.92 0.18 -0.28 1.97 3.52 -1.25 -1.76 118.95 115.41 1bxh s ARG 60 Ca 0.23 0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.88 1bxh s ARG 60 Cb -0.07 -0.86 -0.03 0.00 -1.56 0.00 0.00 34.95 32.42 1bxh s ARG 60 CO 0.84 -0.37 0.41 -1.17 -0.81 0.00 0.00 175.30 174.19 1bxh s LEU 61 N 2.09 4.09 0.09 -0.88 2.96 -0.52 -4.24 118.68 122.27 1bxh s LEU 61 Ca 0.04 0.27 0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1bxh s LEU 61 Cb -0.13 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1bxh s LEU 61 CO -0.05 -0.24 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.11 1bxh s SER 62 N 1.64 2.37 0.01 3.68 0.01 -0.80 -1.02 113.70 119.58 1bxh s SER 62 Ca 0.16 -0.66 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 1bxh s SER 62 Cb -0.16 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 1bxh s SER 62 CO 0.10 0.04 -0.00 0.00 0.41 0.00 0.00 173.24 173.79 1bxh s ALA 63 N -1.14 0.03 -0.05 1.44 0.00 0.01 -0.99 121.76 121.05 1bxh s ALA 63 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1bxh s ALA 63 Cb -0.10 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1bxh s ALA 63 CO 0.04 -0.06 -0.04 0.08 0.00 0.00 0.00 175.76 175.77 1bxh s VAL 64 N -0.56 0.58 -0.03 0.00 1.01 0.34 -1.83 120.40 119.91 1bxh s VAL 64 Ca -0.06 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1bxh s VAL 64 Cb -0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1bxh s VAL 64 CO -0.00 0.25 -0.23 -0.69 0.00 0.00 0.00 175.10 174.42 1bxh s VAL 65 N 1.12 1.84 0.25 2.92 1.01 -0.57 0.07 120.40 127.03 1bxh s VAL 65 Ca -0.08 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 1bxh s VAL 65 Cb -0.14 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1bxh s VAL 65 CO -0.01 0.52 0.64 -0.94 0.00 0.00 0.00 175.10 175.31 1bxh s SER 66 N -0.43 -0.27 0.13 3.32 1.04 0.07 -1.33 113.70 116.24 1bxh s SER 66 Ca 0.06 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1bxh s SER 66 Cb -0.10 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1bxh s SER 66 CO 0.00 -1.23 -0.17 -0.31 0.98 0.00 0.00 173.24 172.51 1bxh s TYR 67 N -3.91 1.64 0.30 5.02 2.02 -1.26 -0.71 117.35 120.45 1bxh s TYR 67 Ca 0.11 -0.49 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 1bxh s TYR 67 Cb -0.04 -0.85 -0.12 0.00 -0.40 0.00 0.00 41.96 40.55 1bxh s TYR 67 CO 0.03 0.23 1.42 -2.30 -1.57 0.00 0.00 175.55 173.36 1bxh n PRO 68 N 0.57 2.29 -3.53 -1.71 -0.02 -1.26 -3.32 135.00 128.01 1bxh n PRO 68 Ca -0.15 0.81 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 1bxh n PRO 68 Cb 0.56 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.53 -5.62 -3.60 2.55 4.13 -1.26 -4.99 115.26 108.00 1bxh n ASN 69 Ca 0.08 -0.41 -0.05 0.00 1.68 0.00 0.00 54.58 55.88 1bxh n ASN 69 Cb 0.35 -2.23 -0.03 0.00 -1.54 0.00 0.00 39.78 36.33 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 -2.26 -2.04 0.65 5.41 0.00 -1.21 -5.15 121.76 117.16 1bxh s ALA 70 Ca 0.20 1.64 -0.16 0.00 0.00 0.00 0.00 51.96 53.64 1bxh s ALA 70 Cb -0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 1bxh s ALA 70 CO 0.87 -0.46 1.14 -0.51 0.00 0.00 0.00 175.76 176.79 1bxh s ASP 71 N -1.71 5.02 0.03 0.00 1.01 -1.26 -4.68 116.67 115.08 1bxh s ASP 71 Ca 0.07 2.11 0.04 0.00 0.71 0.00 0.00 52.55 55.48 1bxh s ASP 71 Cb -0.01 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1bxh s ASP 71 CO -0.04 -1.69 -0.09 -0.94 0.21 0.00 0.00 175.17 172.62 1bxh s SER 72 N -2.32 4.47 0.01 0.27 1.04 -1.26 -4.57 113.70 111.34 1bxh s SER 72 Ca 0.70 -0.23 -0.15 0.00 0.48 0.00 0.00 55.95 56.75 1bxh s SER 72 Cb -0.23 -0.97 -0.06 0.00 0.10 0.00 0.00 66.02 64.86 1bxh s SER 72 CO 0.40 0.26 0.42 0.00 0.98 0.00 0.00 173.24 175.30 1bxh s ALA 73 N -1.02 3.69 0.06 5.32 0.00 -0.44 -4.94 121.76 124.43 1bxh s ALA 73 Ca 0.18 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1bxh s ALA 73 Cb -0.11 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1bxh s ALA 73 CO 0.08 0.48 -0.14 0.99 0.00 0.00 0.00 175.76 177.18 1bxh s THR 74 N -1.10 1.06 -0.19 0.00 2.01 -1.26 -1.52 115.64 114.64 1bxh s THR 74 Ca 0.25 -1.22 -0.16 0.00 0.31 0.00 0.00 61.69 60.87 1bxh s THR 74 Cb -0.17 -1.01 0.05 0.00 0.01 0.00 0.00 72.50 71.38 1bxh s THR 74 CO 0.14 -0.19 0.49 0.54 -0.69 0.00 0.00 174.62 174.91 1bxh s VAL 75 N -1.19 -0.00 0.09 3.82 0.11 -0.76 -4.74 120.40 117.72 1bxh s VAL 75 Ca -0.02 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1bxh s VAL 75 Cb -0.10 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 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 0.53 1.15 -0.25 3.54 0.01 -1.26 -0.81 113.70 116.61 1bxh s SER 76 Ca -0.02 -0.94 -0.15 0.00 1.31 0.00 0.00 55.95 56.14 1bxh s SER 76 Cb -0.04 0.08 0.07 0.00 0.21 0.00 0.00 66.02 66.34 1bxh s SER 76 CO -0.03 -0.42 0.63 -0.47 0.41 0.00 0.00 173.24 173.36 1bxh s TYR 77 N -3.28 -0.93 0.00 2.43 5.04 -0.19 -4.98 117.35 115.44 1bxh s TYR 77 Ca 0.09 1.91 -0.30 0.00 -2.44 0.00 0.00 57.07 56.33 1bxh s TYR 77 Cb 0.03 0.51 -0.04 0.00 0.35 0.00 0.00 41.96 42.81 1bxh s TYR 77 CO -0.04 -0.47 1.12 -0.51 -1.34 0.00 0.00 175.55 174.31 1bxh s ASP 78 N 1.43 7.17 -0.29 4.32 1.01 -1.26 -1.44 116.67 127.61 1bxh s ASP 78 Ca -0.09 1.82 -0.16 0.00 0.71 0.00 0.00 52.55 54.83 1bxh s ASP 78 Cb -0.06 -2.57 0.12 0.00 1.01 0.00 0.00 42.92 41.43 1bxh s ASP 78 CO -0.16 -0.43 0.89 0.54 0.21 0.00 0.00 175.17 176.22 1bxh s VAL 79 N 1.40 0.00 -0.47 -1.27 0.11 -0.72 -4.96 120.40 114.49 1bxh s VAL 79 Ca 0.55 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.41 1bxh s VAL 79 Cb -0.25 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1bxh s VAL 79 CO 0.26 0.00 0.61 -0.62 -3.33 0.00 0.00 175.10 172.02 1bxh s ASP 80 N 1.37 6.25 0.55 3.54 -1.08 -1.26 -4.16 116.67 121.89 1bxh s ASP 80 Ca -0.09 -0.69 0.37 0.00 -0.52 0.00 0.00 52.55 51.62 1bxh s ASP 80 Cb -0.04 -2.29 1.92 0.00 -1.46 0.00 0.00 42.92 41.04 1bxh s ASP 80 CO -0.16 -0.82 2.12 -0.07 0.52 0.00 0.00 175.17 176.77 1bxh h LEU 81 N 9.63 0.00 -1.45 -1.34 3.38 -1.98 -2.15 115.31 121.39 1bxh h LEU 81 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1bxh h LEU 81 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1bxh h LEU 81 CO 0.92 0.00 0.11 0.44 0.09 0.00 0.00 178.44 179.99 1bxh h ASP 82 N 0.00 0.42 0.69 -0.43 3.32 -1.92 -1.16 116.42 117.35 1bxh h ASP 82 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1bxh h ASP 82 Cb 0.11 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1bxh h ASP 82 CO 0.00 0.41 -0.18 0.59 -1.72 0.00 0.00 179.24 178.34 1bxh n ASN 83 N -4.38 0.26 -0.04 6.45 3.02 -0.81 -4.46 115.26 115.30 1bxh n ASN 83 Ca 0.02 0.01 -0.06 0.00 -0.03 0.00 0.00 54.58 54.52 1bxh n ASN 83 Cb 0.16 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.37 0.40 -4.05 2.41 0.31 -0.82 -5.07 118.33 110.14 1bxh n VAL 84 Ca 0.08 -0.14 -0.25 0.00 -0.01 0.00 0.00 64.34 64.03 1bxh n VAL 84 Cb 0.32 -1.04 -0.05 0.00 -0.91 0.00 0.00 33.84 32.16 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 -5.75 3.96 0.93 7.52 1.43 -0.50 -4.99 118.68 121.27 1bxh s LEU 85 Ca -0.10 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 1bxh s LEU 85 Cb 0.03 -2.54 0.15 0.00 0.03 0.00 0.00 46.19 43.85 1bxh s LEU 85 CO 0.15 0.04 1.10 -2.16 0.23 0.00 0.00 176.35 175.71 1bxh s PRO 86 N -3.28 1.02 0.35 1.29 0.04 -1.26 -4.78 135.00 128.37 1bxh s PRO 86 Ca 0.32 0.61 0.03 0.00 0.04 0.00 0.00 61.00 62.00 1bxh s PRO 86 Cb -0.10 -1.80 0.65 0.00 0.04 0.00 0.00 34.50 33.29 1bxh s PRO 86 CO 0.25 -2.35 1.99 1.49 0.04 0.00 0.00 177.00 178.42 1bxh h GLU 87 N -1.62 0.82 -6.03 4.56 4.81 -1.95 -3.41 114.58 111.76 1bxh h GLU 87 Ca -0.51 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 57.99 1bxh h GLU 87 Cb 1.31 -0.19 -0.23 0.00 0.63 0.00 0.00 28.75 30.27 1bxh h GLU 87 CO 0.57 0.55 -0.75 -1.58 -0.73 0.00 0.00 179.01 177.07 1bxh s TRP 88 N -5.73 2.78 0.32 0.92 0.52 -1.26 -2.09 118.94 114.40 1bxh s TRP 88 Ca -0.10 -0.24 -0.03 0.00 0.02 0.00 0.00 56.10 55.75 1bxh s TRP 88 Cb 0.18 -1.70 -0.00 0.00 -1.15 0.00 0.00 33.47 30.80 1bxh s TRP 88 CO 0.77 0.11 0.44 0.14 0.02 0.00 0.00 176.95 178.43 1bxh s VAL 89 N -0.46 0.00 0.05 4.03 -7.23 -0.63 -4.35 120.40 111.82 1bxh s VAL 89 Ca 0.06 -1.62 0.08 0.00 -1.81 0.00 0.00 61.98 58.69 1bxh s VAL 89 Cb -0.12 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1bxh s VAL 89 CO 0.02 0.00 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.45 1bxh s ARG 90 N -3.28 1.53 0.06 4.82 0.52 -0.44 0.12 118.95 122.28 1bxh s ARG 90 Ca 0.31 -1.04 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 1bxh s ARG 90 Cb 0.00 -1.71 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 1bxh s ARG 90 CO 0.18 0.43 -0.03 0.14 0.02 0.00 0.00 175.30 176.05 1bxh s VAL 91 N -0.84 3.86 0.25 3.52 -7.23 -1.26 -1.67 120.40 117.03 1bxh s VAL 91 Ca 0.09 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.16 1bxh s VAL 91 Cb -0.09 -2.79 0.06 0.00 0.56 0.00 0.00 36.38 34.12 1bxh s VAL 91 CO 0.02 0.20 0.78 0.61 -0.31 0.00 0.00 175.10 176.41 1bxh n GLY 92 N 0.88 0.91 3.23 2.32 0.00 -0.31 -1.07 105.19 111.16 1bxh n GLY 92 Ca -0.13 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 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 2.06 0.03 0.99 1.43 0.20 -0.91 118.68 122.48 1bxh s LEU 93 Ca 0.17 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1bxh s LEU 93 Cb -0.03 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 1bxh s LEU 93 CO 0.07 0.25 -0.06 -0.55 0.23 0.00 0.00 176.35 176.29 1bxh s SER 94 N -0.59 0.65 0.17 2.29 0.15 0.87 -1.03 113.70 116.22 1bxh s SER 94 Ca 0.08 -0.50 -0.17 0.00 0.70 0.00 0.00 55.95 56.06 1bxh s SER 94 Cb -0.08 0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1bxh s SER 94 CO -0.00 -0.21 0.47 0.00 1.20 0.00 0.00 173.24 174.70 1bxh s ALA 95 N -1.31 -0.92 0.29 5.45 0.00 -0.71 0.79 121.76 125.35 1bxh s ALA 95 Ca -0.11 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 1bxh s ALA 95 Cb -0.09 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1bxh s ALA 95 CO -0.00 -0.74 0.66 -1.54 0.00 0.00 0.00 175.76 174.14 1bxh s SER 96 N -2.85 -0.15 0.03 0.00 1.04 -1.07 -1.89 113.70 108.81 1bxh s SER 96 Ca 0.07 -0.78 -0.06 0.00 0.48 0.00 0.00 55.95 55.65 1bxh s SER 96 Cb 0.00 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 1bxh s SER 96 CO -0.06 -1.34 0.12 0.42 0.98 0.00 0.00 173.24 173.36 1bxh s THR 97 N -3.72 0.12 0.00 2.02 -4.23 -0.11 -0.41 115.64 109.31 1bxh s THR 97 Ca 0.15 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1bxh s THR 97 Cb -0.04 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 72.97 1bxh s THR 97 CO 0.08 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1bxh n GLY 98 N 0.85 2.76 0.14 3.99 0.00 -1.26 -2.16 105.19 109.50 1bxh n GLY 98 Ca -0.19 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 0.36-10.10 0.99 5.85 -1.97 -0.76 115.31 109.69 1bxh h LEU 99 Ca 0.00 -0.25 -0.52 0.00 0.84 0.00 0.00 57.88 57.95 1bxh h LEU 99 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1bxh h LEU 99 CO 0.00 0.52 -0.27 -0.31 -0.34 0.00 0.00 178.44 178.04 1bxh s TYR 100 N -5.20 3.48 0.22 1.25 2.02 -1.26 -4.87 117.35 112.99 1bxh s TYR 100 Ca -0.14 0.41 0.03 0.00 -0.37 0.00 0.00 57.07 57.00 1bxh s TYR 100 Cb 0.07 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1bxh s TYR 100 CO 0.73 0.30 0.13 0.36 -1.57 0.00 0.00 175.55 175.50 1bxh n LYS 101 N -0.87 0.48 -3.61 -0.62 0.00 -1.26 -4.44 118.16 107.85 1bxh n LYS 101 Ca -0.04 -2.01 -0.01 0.00 -0.00 0.00 0.00 58.31 56.25 1bxh n LYS 101 Cb 0.54 1.37 -0.01 0.00 -0.00 0.00 0.00 35.03 36.93 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 -2.86 0.32 0.20 -1.58 -1.05 -1.08 -3.22 118.70 109.43 1bxh s GLU 102 Ca 0.18 -0.15 -0.15 0.00 -0.15 0.00 0.00 54.97 54.69 1bxh s GLU 102 Cb 0.01 0.12 -0.08 0.00 -0.44 0.00 0.00 34.13 33.75 1bxh s GLU 102 CO 0.13 -0.14 0.62 0.95 0.95 0.00 0.00 175.26 177.76 1bxh s THR 103 N -2.38 4.77 -0.55 1.83 -4.23 0.17 -4.73 115.64 110.52 1bxh s THR 103 Ca 0.12 0.92 0.07 0.00 -1.18 0.00 0.00 61.69 61.62 1bxh s THR 103 Cb 0.02 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.40 1bxh s THR 103 CO -0.04 0.14 0.75 0.59 -0.54 0.00 0.00 174.62 175.52 1bxh n ASN 104 N 0.53 2.94 -4.71 3.99 5.03 -1.26 -3.46 115.26 118.31 1bxh n ASN 104 Ca -0.03 -3.31 -0.39 0.00 0.87 0.00 0.00 54.58 51.72 1bxh n ASN 104 Cb 0.52 -0.63 -0.05 0.00 -1.02 0.00 0.00 39.78 38.59 1bxh n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1bxh s THR 105 N -2.68 5.08 -0.25 3.41 2.01 -1.10 -2.10 115.64 120.00 1bxh s THR 105 Ca 0.41 1.31 -0.07 0.00 0.31 0.00 0.00 61.69 63.66 1bxh s THR 105 Cb 0.20 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1bxh s THR 105 CO -0.07 0.26 0.05 -0.63 -0.69 0.00 0.00 174.62 173.54 1bxh s ILE 106 N 0.85 4.14 -0.05 1.82 -1.09 0.75 -0.69 121.20 126.94 1bxh s ILE 106 Ca 0.34 -0.26 0.13 0.00 -2.23 0.00 0.00 60.65 58.63 1bxh s ILE 106 Cb -0.17 -2.95 -0.19 0.00 -1.58 0.00 0.00 42.46 37.57 1bxh s ILE 106 CO 0.16 0.33 0.82 -0.07 -1.23 0.00 0.00 174.94 174.95 1bxh h LEU 107 N 8.22 0.00 -7.00 2.97 4.07 -1.43 -1.41 115.31 120.73 1bxh h LEU 107 Ca -0.38 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.60 1bxh h LEU 107 Cb 1.17 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.77 1bxh h LEU 107 CO 0.58 0.87 0.31 -0.94 -1.08 0.00 0.00 178.44 178.19 1bxh s SER 108 N -6.11 -0.50 -0.25 -0.43 1.04 -1.23 -4.51 113.70 101.71 1bxh s SER 108 Ca -0.03 0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.34 1bxh s SER 108 Cb 0.08 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.80 1bxh s SER 108 CO 0.82 -0.81 0.59 0.86 0.98 0.00 0.00 173.24 175.68 1bxh s TRP 109 N -3.26 -0.96 0.10 5.02 -0.00 0.22 -1.89 118.94 118.17 1bxh s TRP 109 Ca 0.01 1.90 0.04 0.00 -0.00 0.00 0.00 56.10 58.05 1bxh s TRP 109 Cb -0.01 0.54 -0.04 0.00 -0.00 0.00 0.00 33.47 33.96 1bxh s TRP 109 CO -0.09 -0.50 -0.11 -1.54 -0.00 0.00 0.00 176.95 174.71 1bxh s SER 110 N 1.82 1.55 -0.13 5.86 1.04 0.84 -0.27 113.70 124.41 1bxh s SER 110 Ca -0.09 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 1bxh s SER 110 Cb -0.07 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1bxh s SER 110 CO -0.17 -0.24 0.34 0.12 0.98 0.00 0.00 173.24 174.26 1bxh s PHE 111 N -2.37 -0.38 -0.02 5.02 5.36 -0.37 -1.36 117.98 123.85 1bxh s PHE 111 Ca 0.06 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 56.96 1bxh s PHE 111 Cb -0.03 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.78 1bxh s PHE 111 CO 0.01 -0.19 -0.04 0.99 -1.46 0.00 0.00 175.22 174.53 1bxh s THR 112 N 0.31 0.38 -0.01 0.12 2.01 0.46 -2.04 115.64 116.87 1bxh s THR 112 Ca -0.01 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1bxh s THR 112 Cb -0.03 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1bxh s THR 112 CO -0.01 0.14 -0.05 -0.55 -0.69 0.00 0.00 174.62 173.46 1bxh s SER 113 N 0.30 0.69 0.00 3.53 0.15 -0.05 -0.80 113.70 117.51 1bxh s SER 113 Ca -0.03 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1bxh s SER 113 Cb -0.07 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1bxh s SER 113 CO -0.00 0.04 -0.04 -0.54 1.20 0.00 0.00 173.24 173.90 1bxh s LYS 114 N 0.10 0.31 -0.15 5.44 1.02 -0.23 -0.86 119.74 125.38 1bxh s LYS 114 Ca -0.01 -0.18 -0.00 0.00 0.02 0.00 0.00 55.97 55.79 1bxh s LYS 114 Cb -0.05 -0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.02 1bxh s LYS 114 CO -0.00 0.07 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.92 1bxh s LEU 115 N -0.22 1.48 -0.27 3.17 1.43 0.08 -1.58 118.68 122.76 1bxh s LEU 115 Ca 0.00 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1bxh s LEU 115 Cb -0.02 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.24 1bxh s LEU 115 CO -0.00 -0.15 0.17 -0.54 0.23 0.00 0.00 176.35 176.06 1bxh s LYS 116 N 1.65 3.92 0.55 1.70 -0.14 0.92 -1.13 119.74 127.21 1bxh s LYS 116 Ca 0.02 -0.34 0.09 0.00 -1.36 0.00 0.00 55.97 54.39 1bxh s LYS 116 Cb -0.14 -3.61 0.07 0.00 -1.68 0.00 0.00 37.83 32.47 1bxh s LYS 116 CO -0.08 -0.16 0.71 0.45 -0.76 0.00 0.00 175.35 175.50 1bxh s SER 117 N 1.69 5.10 -0.81 2.83 0.15 -1.01 0.40 113.70 122.05 1bxh s SER 117 Ca 0.07 -0.85 -0.23 0.00 0.70 0.00 0.00 55.95 55.64 1bxh s SER 117 Cb -0.16 0.18 -0.16 0.00 -1.71 0.00 0.00 66.02 64.18 1bxh s SER 117 CO 0.10 -1.23 1.91 0.59 1.20 0.00 0.00 173.24 175.81 1bxh n ASN 118 N -2.12 2.56 -3.64 5.45 4.13 -1.20 -4.66 115.26 115.78 1bxh n ASN 118 Ca 0.12 -2.68 -0.03 0.00 1.68 0.00 0.00 54.58 53.68 1bxh n ASN 118 Cb 0.62 -1.20 -0.00 0.00 -1.54 0.00 0.00 39.78 37.65 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 5.37 -0.11 -0.13 6.41 0.01 -1.26 -5.09 113.70 118.90 1bxh s SER 119 Ca 0.60 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 57.13 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 0.13 -0.84 1.35 0.42 0.41 0.00 0.00 173.24 174.71 1bxh s THR 120 N -2.87 4.10 -1.24 1.44 -4.23 -1.26 -3.75 115.64 107.82 1bxh s THR 120 Ca 0.15 1.34 -0.08 0.00 -1.18 0.00 0.00 61.69 61.93 1bxh s THR 120 Cb -0.01 -3.87 0.01 0.00 1.34 0.00 0.00 72.50 69.98 1bxh s THR 120 CO 0.02 -0.10 0.15 1.57 -0.54 0.00 0.00 174.62 175.71 1bxh n HIS 121 N 6.56 -1.09 -3.35 3.99 -0.00 -1.26 -4.84 115.22 115.24 1bxh n HIS 121 Ca 0.14 0.39 -0.37 0.00 -0.00 0.00 0.00 57.72 57.89 1bxh n HIS 121 Cb 0.44 -2.35 -0.04 0.00 -0.00 0.00 0.00 29.99 28.04 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 -4.14 3.32 -4.22 1.57 4.07 -1.25 -5.04 120.64 114.95 1bxh n GLU 122 Ca -0.23 -4.55 -0.36 0.00 -0.06 0.00 0.00 57.16 51.96 1bxh n GLU 122 Cb 0.56 -2.42 -0.08 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 -2.14 4.68 -0.11 6.31 2.01 -1.26 -2.42 115.64 122.72 1bxh s THR 123 Ca 0.32 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.21 1bxh s THR 123 Cb 0.02 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1bxh s THR 123 CO -0.02 0.61 -0.08 0.20 -0.69 0.00 0.00 174.62 174.64 1bxh s ASN 124 N -0.90 4.50 0.05 3.53 -0.87 -0.28 -4.96 114.94 116.02 1bxh s ASN 124 Ca 0.14 -0.14 0.01 0.00 -1.57 0.00 0.00 52.86 51.30 1bxh s ASN 124 Cb -0.12 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.25 39.63 1bxh s ASN 124 CO 0.03 0.25 -0.06 0.00 -2.57 0.00 0.00 177.10 174.75 1bxh s ALA 125 N -0.15 0.55 -0.03 0.60 0.00 -1.26 -0.75 121.76 120.73 1bxh s ALA 125 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1bxh s ALA 125 Cb -0.13 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1bxh s ALA 125 CO 0.03 -0.14 -0.00 -1.17 0.00 0.00 0.00 175.76 174.48 1bxh s LEU 126 N -2.02 1.28 -0.08 0.00 2.96 -0.04 -4.99 118.68 115.79 1bxh s LEU 126 Ca -0.05 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1bxh s LEU 126 Cb -0.05 -0.21 0.03 0.00 0.50 0.00 0.00 46.19 46.46 1bxh s LEU 126 CO -0.02 -0.08 0.18 -2.28 -1.32 0.00 0.00 176.35 172.83 1bxh s HIS 127 N 0.88 -0.22 -0.00 5.38 5.65 -1.26 -0.87 115.29 124.84 1bxh s HIS 127 Ca -0.09 0.55 -0.03 0.00 0.25 0.00 0.00 55.06 55.74 1bxh s HIS 127 Cb -0.12 0.02 -0.00 0.00 -1.18 0.00 0.00 32.58 31.29 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 0.68 0.07 -0.03 3.88 -0.12 -0.86 -5.01 117.98 116.59 1bxh s PHE 128 Ca -0.05 -0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 56.67 1bxh s PHE 128 Cb -0.06 -0.07 0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1bxh s PHE 128 CO -0.04 -0.17 0.05 1.41 -0.05 0.00 0.00 175.22 176.42 1bxh s MET 129 N -0.93 -0.02 -0.20 1.99 1.75 -1.26 -1.24 119.30 119.39 1bxh s MET 129 Ca -0.10 0.30 -0.01 0.00 -1.25 0.00 0.00 55.69 54.62 1bxh s MET 129 Cb -0.06 -0.45 0.01 0.00 2.84 0.00 0.00 34.83 37.16 1bxh s MET 129 CO 0.00 -0.27 -0.12 -0.06 -0.65 0.00 0.00 175.02 173.92 1bxh s PHE 130 N 1.78 2.87 -0.05 4.11 0.08 0.62 -4.92 117.98 122.47 1bxh s PHE 130 Ca 0.00 -1.27 0.04 0.00 0.12 0.00 0.00 56.93 55.82 1bxh s PHE 130 Cb -0.12 -2.01 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 1bxh s PHE 130 CO -0.03 -0.67 0.10 0.09 -0.10 0.00 0.00 175.22 174.62 1bxh n ASN 131 N 4.68 2.96 -3.74 1.36 3.02 -1.26 -0.61 115.26 121.68 1bxh n ASN 131 Ca -0.20 -0.17 -0.17 0.00 -0.03 0.00 0.00 54.58 54.01 1bxh n ASN 131 Cb 0.50 1.12 -0.17 0.00 -0.61 0.00 0.00 39.78 40.63 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 -1.98 -0.05 -0.23 3.52 2.00 -1.26 -4.70 119.66 116.96 1bxh s GLN 132 Ca -0.01 0.26 -0.07 0.00 -2.00 0.00 0.00 55.36 53.55 1bxh s GLN 132 Cb 0.02 -0.33 -0.03 0.00 0.80 0.00 0.00 33.01 33.48 1bxh s GLN 132 CO 0.15 -0.22 0.05 -0.06 -0.50 0.00 0.00 175.29 174.71 1bxh s PHE 133 N 1.44 3.09 0.57 1.67 0.08 0.04 -5.04 117.98 119.83 1bxh s PHE 133 Ca -0.04 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 1bxh s PHE 133 Cb -0.13 -2.18 0.03 0.00 -0.57 0.00 0.00 43.02 40.18 1bxh s PHE 133 CO -0.03 -0.27 0.81 -1.54 -0.10 0.00 0.00 175.22 174.09 1bxh s SER 134 N 1.31 5.28 0.24 1.36 1.04 -1.26 -3.59 113.70 118.08 1bxh s SER 134 Ca 0.05 0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.57 1bxh s SER 134 Cb -0.15 -1.06 0.26 0.00 0.10 0.00 0.00 66.02 65.18 1bxh s SER 134 CO 0.03 -1.16 1.89 0.50 0.98 0.00 0.00 173.24 175.47 1bxh h LYS 135 N -0.02 1.08 -3.14 4.02 3.64 -1.90 -3.26 116.57 116.99 1bxh h LYS 135 Ca -0.43 -0.07 -0.67 0.00 -1.27 0.00 0.00 60.65 58.21 1bxh h LYS 135 Cb 1.29 -0.24 -0.38 0.00 -0.41 0.00 0.00 32.23 32.49 1bxh h LYS 135 CO 0.55 0.72 -0.27 -3.47 -2.27 0.00 0.00 179.45 174.70 1bxh n ASP 136 N -4.52 3.83 -4.47 4.20 2.03 -1.26 -4.79 116.55 111.57 1bxh n ASP 136 Ca 0.11 -3.20 -0.44 0.00 0.52 0.00 0.00 54.79 51.79 1bxh n ASP 136 Cb 0.08 -0.93 -0.02 0.00 -0.72 0.00 0.00 41.12 39.53 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 -1.55 3.65 0.00 -0.67 2.00 -1.23 -4.88 119.66 116.98 1bxh s GLN 137 Ca 0.28 -1.77 0.19 0.00 -2.00 0.00 0.00 55.36 52.06 1bxh s GLN 137 Cb -0.04 -5.00 0.87 0.00 0.80 0.00 0.00 33.01 29.64 1bxh s GLN 137 CO -0.13 -1.83 1.58 1.63 -0.50 0.00 0.00 175.29 176.04 1bxh n LYS 138 N 6.78 0.14 -0.35 1.67 5.02 -1.26 -2.70 118.16 127.46 1bxh n LYS 138 Ca 0.27 0.15 0.12 0.00 -2.02 0.00 0.00 58.31 56.82 1bxh n LYS 138 Cb 0.49 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.30 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 -1.39 3.87 -4.30 4.39 5.68 -1.26 -4.88 116.55 118.66 1bxh n ASP 139 Ca 0.07 -2.00 -0.30 0.00 -0.50 0.00 0.00 54.79 52.06 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 -1.05 2.09 -0.34 -2.12 1.43 -1.10 -1.04 118.68 116.54 1bxh s LEU 140 Ca 0.47 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1bxh s LEU 140 Cb 0.25 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 45.24 1bxh s LEU 140 CO 0.32 0.28 0.17 -0.63 0.23 0.00 0.00 176.35 176.72 1bxh s ILE 141 N -0.65 4.45 -0.11 -0.59 1.01 0.52 -4.86 121.20 120.97 1bxh s ILE 141 Ca 0.10 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1bxh s ILE 141 Cb -0.09 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1bxh s ILE 141 CO 0.00 -0.10 0.39 -0.76 0.00 0.00 0.00 174.94 174.46 1bxh s LEU 142 N 1.55 4.31 0.13 2.97 1.43 -1.26 -1.26 118.68 126.55 1bxh s LEU 142 Ca 0.03 0.73 0.08 0.00 -1.03 0.00 0.00 54.13 53.93 1bxh s LEU 142 Cb -0.18 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1bxh s LEU 142 CO 0.06 0.12 -0.19 -1.10 0.23 0.00 0.00 176.35 175.46 1bxh s GLN 143 N 0.15 1.19 6.16 1.70 -0.21 -0.15 -4.99 119.66 123.51 1bxh s GLN 143 Ca 0.22 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.31 1bxh s GLN 143 Cb -0.15 -1.33 0.00 0.00 1.00 0.00 0.00 33.01 32.54 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 0.67 2.51 0.27 3.09 0.00 -1.26 -1.75 105.19 108.72 1bxh n GLY 144 Ca -0.16 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 2.93 0.81 -4.75 1.61 8.00 0.17 -4.93 116.55 120.38 1bxh n ASP 145 Ca 0.00 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.57 1bxh n ASP 145 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.91 3.62 0.10 2.24 0.00 -1.00 -4.32 121.76 120.48 1bxh s ALA 146 Ca 0.32 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.58 1bxh s ALA 146 Cb 0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1bxh s ALA 146 CO 0.26 -0.77 0.13 0.95 0.00 0.00 0.00 175.76 176.33 1bxh s THR 147 N -0.23 0.15 0.24 0.00 -4.23 -0.21 -4.75 115.64 106.61 1bxh s THR 147 Ca 0.58 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1bxh s THR 147 Cb -0.42 -1.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 1bxh s THR 147 CO 0.46 -0.66 -0.03 0.42 -0.54 0.00 0.00 174.62 174.27 1bxh s THR 148 N -3.92 1.26 0.00 3.99 -4.23 -1.26 -0.62 115.64 110.86 1bxh s THR 148 Ca 0.10 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1bxh s THR 148 Cb 0.06 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1bxh s THR 148 CO -0.07 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1bxh n GLY 149 N -0.46 3.24 3.56 3.99 0.00 -1.14 -4.56 105.19 109.83 1bxh n GLY 149 Ca -0.06 -1.02 -0.14 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 -0.08 3.03 -0.05 2.61 2.01 -1.26 -1.04 115.64 120.86 1bxh s THR 150 Ca 0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 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 -0.06 0.00 0.47 -0.69 0.00 0.00 174.62 174.34 1bxh n ASP 151 N 18.50 -3.21 -0.44 3.53 8.00 -1.26 -2.96 116.55 138.71 1bxh n ASP 151 Ca 0.47 0.01 -0.06 0.00 0.71 0.00 0.00 54.79 55.92 1bxh n ASP 151 Cb 0.43 -0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.74 0.82 3.92 0.44 0.00 -0.21 -4.94 105.19 102.48 1bxh n GLY 152 Ca -0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.94 5.26 -0.25 1.61 0.01 -1.16 -0.78 114.94 116.70 1bxh s ASN 153 Ca 0.00 -0.63 -0.06 0.00 -0.71 0.00 0.00 52.86 51.47 1bxh s ASN 153 Cb 0.00 -0.62 -0.01 0.00 0.41 0.00 0.00 41.25 41.03 1bxh s ASN 153 CO 0.00 -0.68 0.02 -0.22 -1.51 0.00 0.00 177.10 174.71 1bxh s LEU 154 N -4.20 3.29 -0.39 0.60 2.96 -0.53 -2.87 118.68 117.55 1bxh s LEU 154 Ca 0.50 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.86 1bxh s LEU 154 Cb -0.06 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1bxh s LEU 154 CO 0.30 -0.07 0.27 -1.61 -1.32 0.00 0.00 176.35 173.92 1bxh s GLU 155 N 1.52 3.08 0.02 1.98 0.41 0.21 -0.18 118.70 125.74 1bxh s GLU 155 Ca 0.05 -0.94 -0.20 0.00 -0.41 0.00 0.00 54.97 53.47 1bxh s GLU 155 Cb -0.15 -3.89 -0.18 0.00 -1.78 0.00 0.00 34.13 28.13 1bxh s GLU 155 CO 0.00 -0.66 1.23 -0.07 -0.49 0.00 0.00 175.26 175.27 1bxh h LEU 156 N 8.56 0.44 -9.82 1.80 3.38 -1.69 -0.54 115.31 117.45 1bxh h LEU 156 Ca -0.28 -0.61 -0.52 0.00 0.09 0.00 0.00 57.88 56.56 1bxh h LEU 156 Cb 1.13 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1bxh h LEU 156 CO 0.70 0.98 -0.55 0.42 0.09 0.00 0.00 178.44 180.07 1bxh s THR 157 N -3.79 4.22 0.36 0.22 -4.23 -1.26 -2.36 115.64 108.80 1bxh s THR 157 Ca -0.14 -1.52 -0.28 0.00 -1.18 0.00 0.00 61.69 58.57 1bxh s THR 157 Cb 0.04 -3.27 -0.11 0.00 1.34 0.00 0.00 72.50 70.50 1bxh s THR 157 CO 0.78 -0.35 1.47 -1.14 -0.54 0.00 0.00 174.62 174.84 1bxh n ARG 158 N -1.10 2.60 -3.90 3.99 0.63 -1.26 -4.80 116.66 112.82 1bxh n ARG 158 Ca -0.08 0.91 -0.19 0.00 -0.92 0.00 0.00 57.85 57.57 1bxh n ARG 158 Cb 0.58 -2.63 -0.17 0.00 0.45 0.00 0.00 32.46 30.70 1bxh n ARG 158 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1bxh s VAL 159 N -0.99 0.24 0.68 5.15 1.01 -1.26 -2.17 120.40 123.05 1bxh s VAL 159 Ca 0.55 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 1bxh s VAL 159 Cb -0.49 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1bxh s VAL 159 CO 0.62 0.19 1.18 -0.94 0.00 0.00 0.00 175.10 176.15 1bxh s SER 160 N 1.36 4.68 0.50 3.32 1.04 0.35 -4.82 113.70 120.14 1bxh s SER 160 Ca -0.05 2.28 0.32 0.00 0.48 0.00 0.00 55.95 58.99 1bxh s SER 160 Cb -0.13 -2.58 1.44 0.00 0.10 0.00 0.00 66.02 64.85 1bxh s SER 160 CO -0.02 -1.93 1.79 0.77 0.98 0.00 0.00 173.24 174.82 1bxh h SER 161 N 0.10 0.12 1.27 7.02 4.64 -2.01 1.45 113.55 126.13 1bxh h SER 161 Ca -0.48 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1bxh h SER 161 Cb 1.28 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1bxh h SER 161 CO 0.52 0.01 0.00 -0.55 -0.87 0.00 0.00 176.83 175.95 1bxh h ASN 162 N 0.10 0.00 0.00 4.97 7.08 -2.05 -3.46 115.58 122.21 1bxh h ASN 162 Ca 0.58 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.80 1bxh h ASN 162 Cb 2.08 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.32 1bxh h ASN 162 CO -0.09 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.87 1bxh n GLY 163 N 0.52 0.78 3.80 9.14 0.00 0.49 -5.11 105.19 114.82 1bxh n GLY 163 Ca 0.03 0.00 -0.39 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 -1.57 7.19 0.81 1.61 1.04 -1.24 -4.75 113.70 116.79 1bxh s SER 164 Ca 0.00 1.44 -0.12 0.00 0.48 0.00 0.00 55.95 57.75 1bxh s SER 164 Cb 0.00 -2.42 0.08 0.00 0.10 0.00 0.00 66.02 63.78 1bxh s SER 164 CO 0.00 0.22 1.14 -2.84 0.98 0.00 0.00 173.24 172.74 1bxh s PRO 165 N -1.25 1.80 0.12 4.02 0.02 -1.26 -0.49 135.00 137.95 1bxh s PRO 165 Ca 0.34 1.47 0.09 0.00 0.02 0.00 0.00 61.00 62.91 1bxh s PRO 165 Cb -0.21 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1bxh s PRO 165 CO 0.22 -2.03 -0.17 -0.65 -0.33 0.00 0.00 177.00 174.04 1bxh s GLN 166 N -4.51 1.82 0.62 5.54 -1.52 -0.92 -4.78 119.66 115.90 1bxh s GLN 166 Ca 0.67 -1.18 -0.02 0.00 -1.95 0.00 0.00 55.36 52.88 1bxh s GLN 166 Cb -0.22 -2.13 0.05 0.00 -0.22 0.00 0.00 33.01 30.49 1bxh s GLN 166 CO 0.53 0.48 0.88 0.20 -0.25 0.00 0.00 175.29 177.13 1bxh s GLY 167 N -2.19 1.77 -1.46 3.09 0.00 -1.26 -4.38 107.32 102.90 1bxh s GLY 167 Ca 0.19 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 1bxh s GLY 167 CO 0.11 -0.84 0.94 1.44 0.00 0.00 0.00 173.10 174.74 1bxh n SER 168 N -2.60 -4.04 -4.46 1.64 7.64 -0.29 -4.90 113.62 106.61 1bxh n SER 168 Ca 0.08 -0.76 -0.29 0.00 1.01 0.00 0.00 58.87 58.91 1bxh n SER 168 Cb 0.60 -4.05 -0.12 0.00 -1.01 0.00 0.00 64.21 59.63 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 -3.58 3.76 -0.13 6.43 0.15 -1.06 -4.95 113.70 114.31 1bxh s SER 169 Ca 0.49 -0.59 -0.07 0.00 0.70 0.00 0.00 55.95 56.48 1bxh s SER 169 Cb -0.24 -0.48 0.05 0.00 -1.71 0.00 0.00 66.02 63.64 1bxh s SER 169 CO 0.82 0.18 0.31 0.54 1.20 0.00 0.00 173.24 176.29 1bxh s VAL 170 N -1.11 -0.04 0.06 4.45 0.11 -1.26 -0.93 120.40 121.68 1bxh s VAL 170 Ca 0.17 0.13 -0.08 0.00 -2.93 0.00 0.00 61.98 59.27 1bxh s VAL 170 Cb -0.10 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1bxh s VAL 170 CO 0.09 0.05 0.15 -0.83 -3.33 0.00 0.00 175.10 171.23 1bxh s GLY 171 N 1.32 0.12 0.05 6.54 0.00 -0.79 -0.66 107.32 113.90 1bxh s GLY 171 Ca -0.09 -0.54 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 1bxh s GLY 171 CO -0.10 -0.70 0.27 0.50 0.00 0.00 0.00 173.10 173.07 1bxh s ARG 172 N -3.13 0.79 -0.04 2.90 0.52 -0.72 -1.73 118.95 117.54 1bxh s ARG 172 Ca -0.01 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 54.63 1bxh s ARG 172 Cb 0.02 0.34 0.03 0.00 0.52 0.00 0.00 34.95 35.85 1bxh s ARG 172 CO -0.07 -0.25 0.05 0.00 0.02 0.00 0.00 175.30 175.05 1bxh s ALA 173 N -2.64 0.27 0.04 2.13 0.00 -0.20 -0.98 121.76 120.38 1bxh s ALA 173 Ca -0.04 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.15 1bxh s ALA 173 Cb -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1bxh s ALA 173 CO -0.04 -0.47 -0.18 -0.51 0.00 0.00 0.00 175.76 174.56 1bxh s LEU 174 N 2.09 2.61 0.35 0.00 1.02 -0.39 -0.63 118.68 123.74 1bxh s LEU 174 Ca 0.04 -0.43 -0.27 0.00 0.02 0.00 0.00 54.13 53.49 1bxh s LEU 174 Cb -0.12 -1.52 -0.09 0.00 0.02 0.00 0.00 46.19 44.48 1bxh s LEU 174 CO -0.03 0.25 1.22 0.12 0.02 0.00 0.00 176.35 177.93 1bxh s PHE 175 N -0.93 3.14 0.11 0.29 5.36 -0.23 -0.36 117.98 125.37 1bxh s PHE 175 Ca 0.15 1.52 -0.20 0.00 -0.96 0.00 0.00 56.93 57.43 1bxh s PHE 175 Cb -0.10 -3.50 -0.08 0.00 -0.34 0.00 0.00 43.02 38.99 1bxh s PHE 175 CO 0.05 -1.42 1.76 -0.92 -1.46 0.00 0.00 175.22 173.23 1bxh h TYR 176 N 3.15 0.16 -3.81 10.12 3.20 -1.42 -3.43 116.97 124.93 1bxh h TYR 176 Ca -0.48 0.01 -0.49 0.00 3.14 0.00 0.00 58.73 60.90 1bxh h TYR 176 Cb 1.23 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1bxh h TYR 176 CO 0.56 0.10 0.39 0.00 -1.64 0.00 0.00 178.16 177.56 1bxh s ALA 177 N -6.18 3.31 0.57 1.82 0.00 -1.26 -5.03 121.76 115.00 1bxh s ALA 177 Ca -0.13 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 1bxh s ALA 177 Cb 0.08 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1bxh s ALA 177 CO 0.68 0.06 1.14 -2.14 0.00 0.00 0.00 175.76 175.50 1bxh s PRO 178 N -1.52 3.21 -0.10 0.00 0.02 -1.26 -4.80 135.00 130.54 1bxh s PRO 178 Ca 0.45 1.60 0.01 0.00 0.02 0.00 0.00 61.00 63.08 1bxh s PRO 178 Cb -0.26 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 1bxh s PRO 178 CO 0.33 -0.97 -0.13 0.08 -0.33 0.00 0.00 177.00 175.98 1bxh s VAL 179 N -1.85 3.07 -0.82 3.83 1.01 0.12 -4.94 120.40 120.81 1bxh s VAL 179 Ca 0.72 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1bxh s VAL 179 Cb -0.24 -2.26 0.10 0.00 0.00 0.00 0.00 36.38 33.98 1bxh s VAL 179 CO 0.30 0.55 1.07 -2.28 0.00 0.00 0.00 175.10 174.74 1bxh s HIS 180 N -0.04 2.90 -0.13 5.22 2.46 -1.26 -1.60 115.29 122.84 1bxh s HIS 180 Ca -0.03 -1.01 0.22 0.00 0.47 0.00 0.00 55.06 54.71 1bxh s HIS 180 Cb -0.14 -4.31 0.54 0.00 -0.13 0.00 0.00 32.58 28.54 1bxh s HIS 180 CO 0.04 -1.58 1.66 0.97 -2.47 0.00 0.00 174.74 173.36 1bxh h ILE 181 N 5.95 0.43 -2.43 0.89 6.09 -1.74 -3.47 117.51 123.24 1bxh h ILE 181 Ca -0.03 -1.36 0.12 0.00 -1.37 0.00 0.00 64.86 62.22 1bxh h ILE 181 Cb 1.04 2.01 -0.12 0.00 0.47 0.00 0.00 36.82 40.23 1bxh h ILE 181 CO 1.16 0.22 0.44 -1.66 -3.07 0.00 0.00 178.15 175.24 1bxh s TRP 182 N -3.31 -0.28 -0.13 2.19 1.48 -1.24 -4.81 118.94 112.84 1bxh s TRP 182 Ca 0.04 0.06 -0.16 0.00 -1.06 0.00 0.00 56.10 54.97 1bxh s TRP 182 Cb 0.08 0.59 0.04 0.00 -1.16 0.00 0.00 33.47 33.01 1bxh s TRP 182 CO 0.67 -0.72 0.43 -2.00 -4.06 0.00 0.00 176.95 171.27 1bxh s GLU 183 N -3.30 0.57 0.20 3.25 2.12 -1.26 -4.75 118.70 115.53 1bxh s GLU 183 Ca 0.07 0.45 -0.16 0.00 0.36 0.00 0.00 54.97 55.69 1bxh s GLU 183 Cb -0.01 0.27 0.20 0.00 0.26 0.00 0.00 34.13 34.85 1bxh s GLU 183 CO -0.05 -0.10 1.61 0.66 -0.54 0.00 0.00 175.26 176.84 1bxh h SER 184 N 5.03 -0.82 -0.58 -1.70 4.64 -2.02 -1.46 113.55 116.63 1bxh h SER 184 Ca -0.27 0.21 -0.40 0.00 -0.47 0.00 0.00 61.79 60.86 1bxh h SER 184 Cb 1.18 0.47 -0.17 0.00 -0.31 0.00 0.00 62.40 63.57 1bxh h SER 184 CO 0.27 -0.26 0.51 -1.20 -0.87 0.00 0.00 176.83 175.29 1bxh n SER 185 N -5.44 6.70 -4.77 4.97 7.64 -1.26 -4.94 113.62 116.51 1bxh n SER 185 Ca 0.06 -3.21 -0.36 0.00 1.01 0.00 0.00 58.87 56.37 1bxh n SER 185 Cb 0.35 -1.04 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.23 3.69 0.02 -0.43 0.00 -0.55 -3.26 121.76 119.00 1bxh s ALA 186 Ca 0.38 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 1bxh s ALA 186 Cb 0.30 -2.24 -0.35 0.00 0.00 0.00 0.00 23.12 20.83 1bxh s ALA 186 CO -0.01 0.27 0.98 0.28 0.00 0.00 0.00 175.76 177.28 1bxh h VAL 187 N 4.41 1.28 -2.54 0.00 2.07 -0.32 -3.46 116.25 117.68 1bxh h VAL 187 Ca -0.45 -2.68 -0.09 0.00 0.82 0.00 0.00 66.70 64.29 1bxh h VAL 187 Cb 1.18 3.05 -0.24 0.00 -1.52 0.00 0.00 31.29 33.75 1bxh h VAL 187 CO 0.70 0.81 -0.19 -0.69 0.02 0.00 0.00 177.57 178.22 1bxh s VAL 188 N -2.59 -0.01 -0.00 2.57 1.01 -1.15 -4.89 120.40 115.34 1bxh s VAL 188 Ca -0.10 0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1bxh s VAL 188 Cb 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1bxh s VAL 188 CO 0.94 0.02 -0.08 0.00 0.00 0.00 0.00 175.10 175.97 1bxh s ALA 189 N 0.86 0.67 0.13 5.51 0.00 -1.26 -0.06 121.76 127.60 1bxh s ALA 189 Ca -0.05 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.35 1bxh s ALA 189 Cb -0.06 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1bxh s ALA 189 CO -0.07 0.16 0.50 -1.54 0.00 0.00 0.00 175.76 174.81 1bxh s SER 190 N -0.24 -0.40 0.10 0.00 1.04 -0.61 -0.42 113.70 113.16 1bxh s SER 190 Ca 0.03 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.26 1bxh s SER 190 Cb -0.03 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 1bxh s SER 190 CO -0.00 -0.88 0.20 0.72 0.98 0.00 0.00 173.24 174.26 1bxh s PHE 191 N -3.57 0.20 -0.10 5.02 -0.12 -0.73 -1.06 117.98 117.61 1bxh s PHE 191 Ca 0.01 -0.62 -0.08 0.00 -0.05 0.00 0.00 56.93 56.19 1bxh s PHE 191 Cb 0.00 -0.07 0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1bxh s PHE 191 CO -0.11 -0.57 0.27 -2.00 -0.05 0.00 0.00 175.22 172.76 1bxh s GLU 192 N -3.88 0.28 0.02 1.99 2.12 0.02 -2.27 118.70 116.97 1bxh s GLU 192 Ca 0.07 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.86 1bxh s GLU 192 Cb 0.05 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 1bxh s GLU 192 CO -0.09 -0.08 -0.07 0.00 -0.54 0.00 0.00 175.26 174.48 1bxh s ALA 193 N 0.56 0.52 -0.07 6.30 0.00 -0.28 -0.40 121.76 128.39 1bxh s ALA 193 Ca -0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1bxh s ALA 193 Cb -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1bxh s ALA 193 CO -0.03 0.05 0.23 0.99 0.00 0.00 0.00 175.76 177.00 1bxh s THR 194 N -0.73 0.02 -0.16 0.00 2.01 -0.47 -1.14 115.64 115.17 1bxh s THR 194 Ca -0.04 -0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.61 1bxh s THR 194 Cb -0.06 -0.36 0.06 0.00 0.01 0.00 0.00 72.50 72.14 1bxh s THR 194 CO 0.00 -0.07 0.59 0.72 -0.69 0.00 0.00 174.62 175.17 1bxh s PHE 195 N -0.19 -0.61 -0.06 4.92 -0.71 -1.05 -0.11 117.98 120.18 1bxh s PHE 195 Ca -0.03 1.34 -0.01 0.00 -1.04 0.00 0.00 56.93 57.19 1bxh s PHE 195 Cb -0.03 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 1bxh s PHE 195 CO 0.01 -0.40 0.02 0.95 -1.34 0.00 0.00 175.22 174.46 1bxh s THR 196 N -0.24 4.38 0.08 -4.49 -4.23 -0.79 -1.62 115.64 108.73 1bxh s THR 196 Ca -0.04 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1bxh s THR 196 Cb -0.03 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 1bxh s THR 196 CO 0.03 0.52 -0.06 0.72 -0.54 0.00 0.00 174.62 175.29 1bxh s PHE 197 N -0.98 0.79 -0.25 3.99 -0.12 -0.19 -1.14 117.98 120.07 1bxh s PHE 197 Ca 0.16 -0.89 -0.01 0.00 -0.05 0.00 0.00 56.93 56.14 1bxh s PHE 197 Cb -0.11 -0.47 0.08 0.00 -0.63 0.00 0.00 43.02 41.88 1bxh s PHE 197 CO 0.06 -0.19 0.04 -1.17 -0.05 0.00 0.00 175.22 173.91 1bxh s LEU 198 N -2.84 1.97 -0.34 -1.99 2.96 0.13 -0.58 118.68 118.00 1bxh s LEU 198 Ca 0.08 -1.24 -0.11 0.00 -0.22 0.00 0.00 54.13 52.64 1bxh s LEU 198 Cb 0.04 -0.85 -0.00 0.00 0.50 0.00 0.00 46.19 45.88 1bxh s LEU 198 CO -0.05 -0.33 0.19 -0.63 -1.32 0.00 0.00 176.35 174.21 1bxh s ILE 199 N 1.64 4.82 -0.15 6.68 1.01 -1.26 -2.71 121.20 131.24 1bxh s ILE 199 Ca 0.02 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1bxh s ILE 199 Cb -0.18 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.79 1bxh s ILE 199 CO -0.14 -0.03 -0.20 -0.75 0.00 0.00 0.00 174.94 173.82 1bxh s LYS 200 N 1.64 2.88 -0.23 2.79 2.20 -1.22 -1.13 119.74 126.66 1bxh s LYS 200 Ca 0.05 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 1bxh s LYS 200 Cb -0.18 -2.39 0.05 0.00 -1.51 0.00 0.00 37.83 33.80 1bxh s LYS 200 CO 0.08 -0.09 -0.11 0.45 -0.36 0.00 0.00 175.35 175.32 1bxh s SER 201 N 1.01 3.92 -0.05 1.43 0.15 -1.26 -0.66 113.70 118.25 1bxh s SER 201 Ca -0.03 -1.14 -0.24 0.00 0.70 0.00 0.00 55.95 55.24 1bxh s SER 201 Cb -0.15 -1.41 -0.23 0.00 -1.71 0.00 0.00 66.02 62.52 1bxh s SER 201 CO -0.06 -0.16 1.04 -0.65 1.20 0.00 0.00 173.24 174.62 1bxh h PRO 202 N 7.87 0.19 0.00 5.44 0.11 -1.95 -3.47 132.00 140.19 1bxh h PRO 202 Ca -0.25 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1bxh h PRO 202 Cb 1.07 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1bxh h PRO 202 CO 0.48 0.92 0.00 -0.40 -0.21 0.00 0.00 178.00 178.79 1bxh n ASP 203 N -4.50 -0.50 0.00 -2.05 5.75 -1.26 -5.02 116.55 108.97 1bxh n ASP 203 Ca -0.10 -0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.47 1bxh n ASP 203 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 -1.40 0.00 -4.92 -1.12 7.64 -1.26 -4.79 113.62 107.76 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 0.38 1.43 3.76 -1.26 -5.09 115.29 117.99 1bxh s HIS 205 Ca 0.00 0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 55.10 1bxh s HIS 205 Cb 0.00 -1.88 -0.10 0.00 1.11 0.00 0.00 32.58 31.71 1bxh s HIS 205 CO 0.00 0.37 0.85 -2.14 -0.85 0.00 0.00 174.74 172.97 1bxh s PRO 206 N -3.28 4.13 -0.09 8.40 0.02 -1.26 -4.20 135.00 138.71 1bxh s PRO 206 Ca 0.39 0.91 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 1bxh s PRO 206 Cb -0.11 -2.30 0.12 0.00 0.02 0.00 0.00 34.50 32.22 1bxh s PRO 206 CO 0.29 0.06 0.95 0.00 -0.33 0.00 0.00 177.00 177.97 1bxh s ALA 207 N -2.08 -1.89 -0.10 -1.55 0.00 -1.20 -3.99 121.76 110.94 1bxh s ALA 207 Ca 0.58 1.34 0.12 0.00 0.00 0.00 0.00 51.96 54.00 1bxh s ALA 207 Cb -0.10 -0.18 -0.17 0.00 0.00 0.00 0.00 23.12 22.67 1bxh s ALA 207 CO 0.15 -0.48 0.30 -0.25 0.00 0.00 0.00 175.76 175.48 1bxh n ASP 208 N 0.29 2.00 0.00 0.00 8.00 0.46 -2.62 116.55 124.68 1bxh n ASP 208 Ca -0.09 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1bxh n ASP 208 Cb 0.59 1.45 0.00 0.00 -0.02 0.00 0.00 41.12 43.15 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 1.74 2.44 3.30 0.44 0.00 -1.22 -2.71 105.19 109.18 1bxh n GLY 209 Ca -0.01 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.66 1.73 -0.05 -0.61 1.01 -0.58 -2.61 121.20 118.42 1bxh s ILE 210 Ca 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 60.65 58.89 1bxh s ILE 210 Cb 0.00 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1bxh s ILE 210 CO 0.00 -0.16 0.22 0.00 0.00 0.00 0.00 174.94 175.00 1bxh s ALA 211 N -1.50 -0.55 -0.15 9.38 0.00 0.24 0.28 121.76 129.46 1bxh s ALA 211 Ca 0.10 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 1bxh s ALA 211 Cb -0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1bxh s ALA 211 CO 0.05 -0.16 0.24 0.12 0.00 0.00 0.00 175.76 176.01 1bxh s PHE 212 N -0.49 3.49 0.06 0.00 5.36 -0.63 -0.09 117.98 125.69 1bxh s PHE 212 Ca -0.06 0.56 -0.02 0.00 -0.96 0.00 0.00 56.93 56.45 1bxh s PHE 212 Cb -0.04 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.37 1bxh s PHE 212 CO 0.01 0.36 0.00 -0.59 -1.46 0.00 0.00 175.22 173.55 1bxh s PHE 213 N 0.09 0.51 -0.03 10.12 -0.71 -0.09 -1.22 117.98 126.65 1bxh s PHE 213 Ca 0.15 -1.03 0.06 0.00 -1.04 0.00 0.00 56.93 55.07 1bxh s PHE 213 Cb -0.13 -0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 41.31 1bxh s PHE 213 CO 0.03 -0.41 -0.20 0.42 -1.34 0.00 0.00 175.22 173.72 1bxh s ILE 214 N -3.92 1.58 0.37 -4.49 1.01 -0.27 -1.16 121.20 114.32 1bxh s ILE 214 Ca 0.08 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 1bxh s ILE 214 Cb 0.08 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.24 1bxh s ILE 214 CO -0.09 0.45 0.61 -0.94 0.00 0.00 0.00 174.94 174.97 1bxh s SER 215 N -0.29 0.57 0.55 3.58 1.04 -0.67 -2.29 113.70 116.19 1bxh s SER 215 Ca 0.03 -1.36 -0.20 0.00 0.48 0.00 0.00 55.95 54.90 1bxh s SER 215 Cb -0.09 0.75 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 1bxh s SER 215 CO 0.01 -1.48 1.18 0.54 0.98 0.00 0.00 173.24 174.47 1bxh s ASN 216 N -3.17 5.56 0.29 7.02 4.22 -1.21 -1.33 114.94 126.31 1bxh s ASN 216 Ca 0.24 2.33 0.02 0.00 -2.14 0.00 0.00 52.86 53.32 1bxh s ASN 216 Cb -0.02 -2.60 0.70 0.00 1.28 0.00 0.00 41.25 40.61 1bxh s ASN 216 CO 0.17 -1.34 1.67 0.40 -2.04 0.00 0.00 177.10 175.96 1bxh h ILE 217 N 1.22 0.39 -0.51 0.54 2.04 -1.86 -2.14 117.51 117.20 1bxh h ILE 217 Ca -0.50 -0.10 -0.19 0.00 1.00 0.00 0.00 64.86 65.07 1bxh h ILE 217 Cb 1.28 0.08 -0.12 0.00 -0.74 0.00 0.00 36.82 37.32 1bxh h ILE 217 CO 0.57 0.05 0.25 -0.90 0.00 0.00 0.00 178.15 178.12 1bxh n ASP 218 N -5.15 3.62 -4.76 1.72 5.75 -1.26 -4.81 116.55 111.65 1bxh n ASP 218 Ca 0.21 -2.82 -0.38 0.00 -0.01 0.00 0.00 54.79 51.80 1bxh n ASP 218 Cb 0.66 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 -0.42 5.94 0.17 -1.12 0.15 -0.80 -5.05 113.70 112.57 1bxh s SER 219 Ca 0.34 2.47 -0.05 0.00 0.70 0.00 0.00 55.95 59.41 1bxh s SER 219 Cb 0.28 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 1bxh s SER 219 CO 0.08 -1.09 0.20 -0.94 1.20 0.00 0.00 173.24 172.69 1bxh s SER 220 N -1.18 0.14 0.11 5.45 1.04 -1.26 -5.08 113.70 112.91 1bxh s SER 220 Ca 0.65 -1.09 -0.31 0.00 0.48 0.00 0.00 55.95 55.68 1bxh s SER 220 Cb -0.33 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.10 1bxh s SER 220 CO 0.40 -0.85 1.61 -0.63 0.98 0.00 0.00 173.24 174.75 1bxh s ILE 221 N -4.04 2.90 0.35 -1.02 1.01 -1.26 -4.97 121.20 114.17 1bxh s ILE 221 Ca 0.24 0.49 -0.27 0.00 0.00 0.00 0.00 60.65 61.11 1bxh s ILE 221 Cb 0.05 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.11 1bxh s ILE 221 CO 0.04 0.01 1.20 -2.84 0.00 0.00 0.00 174.94 173.35 1bxh s PRO 222 N 2.03 4.30 0.35 2.79 0.02 -1.26 -4.96 135.00 138.26 1bxh s PRO 222 Ca 0.72 1.95 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 1bxh s PRO 222 Cb -0.41 -2.93 -0.11 0.00 0.02 0.00 0.00 34.50 31.07 1bxh s PRO 222 CO 0.32 -0.14 1.50 -1.12 -0.33 0.00 0.00 177.00 177.22 1bxh s SER 223 N -0.86 6.39 -1.32 2.53 0.01 -1.26 -2.24 113.70 116.96 1bxh s SER 223 Ca 0.51 2.99 0.00 0.00 1.31 0.00 0.00 55.95 60.76 1bxh s SER 223 Cb -0.34 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.23 1bxh s SER 223 CO 0.44 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1bxh n GLY 224 N 0.94 1.30 1.15 3.44 0.00 -1.26 -4.88 105.19 105.87 1bxh n GLY 224 Ca 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 2.84 -3.89 1.61 3.41 -0.95 -4.87 113.62 111.38 1bxh n SER 225 Ca -0.12 -2.34 -0.30 0.00 -0.26 0.00 0.00 58.87 55.84 1bxh n SER 225 Cb 0.46 -0.57 0.22 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.04 1.92 0.00 6.66 -4.23 -1.26 -0.42 115.64 117.26 1bxh s THR 226 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1bxh s THR 226 Cb 0.12 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 71.04 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 -3.38 2.87 0.43 3.99 0.00 -0.92 -3.18 105.19 105.00 1bxh n GLY 227 Ca 0.17 -0.35 0.24 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.12 114.38 112.07 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 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1bxh n LEU 229 N -3.84 0.00 -2.14 0.08 4.77 -1.19 -4.92 117.00 109.75 1bxh n LEU 229 Ca 0.13 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1bxh n LEU 229 Cb 0.84 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1bxh n LEU 229 CO 0.31 -0.01 -0.14 0.18 -1.33 0.00 0.00 177.39 176.40 1bxh n LEU 230 N -1.21 -1.02 -1.02 2.23 4.77 -0.80 -1.23 117.00 118.73 1bxh n LEU 230 Ca 0.16 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1bxh n LEU 230 Cb 0.20 -2.01 -0.06 0.00 -2.33 0.00 0.00 43.42 39.22 1bxh n LEU 230 CO 0.21 -0.25 -0.13 0.61 -1.33 0.00 0.00 177.39 176.50 1bxh n GLY 231 N -0.63 1.35 0.02 -0.72 0.00 0.44 -4.21 105.19 101.43 1bxh n GLY 231 Ca -0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.52 2.09 -4.45 0.99 4.77 -0.36 -4.54 117.00 113.98 1bxh n LEU 232 Ca -0.13 -0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.53 1bxh n LEU 232 Cb 0.53 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1bxh n LEU 232 CO 0.20 0.43 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.83 1bxh s PHE 233 N -2.09 2.51 0.29 -1.77 0.08 -1.15 -4.81 117.98 111.04 1bxh s PHE 233 Ca -0.05 -0.28 0.11 0.00 0.12 0.00 0.00 56.93 56.82 1bxh s PHE 233 Cb 0.01 -1.42 0.42 0.00 -0.57 0.00 0.00 43.02 41.47 1bxh s PHE 233 CO 0.12 0.27 1.65 -1.00 -0.10 0.00 0.00 175.22 176.16 1bxh h PRO 234 N 4.37 0.01 0.00 0.24 0.13 -1.92 -3.43 132.00 131.41 1bxh h PRO 234 Ca -0.48 -0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 1bxh h PRO 234 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1bxh h PRO 234 CO 0.46 0.57 -0.13 -0.40 -0.23 0.00 0.00 178.00 178.28 1bxh n ASP 235 N -3.86 -1.36 -2.01 1.44 5.68 -1.26 -4.88 116.55 110.30 1bxh n ASP 235 Ca -0.01 -2.84 -0.09 0.00 -0.50 0.00 0.00 54.79 51.34 1bxh n ASP 235 Cb 0.58 2.52 0.27 0.00 -1.14 0.00 0.00 41.12 43.34 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 -0.75 4.70 1.76 2.12 0.00 -1.26 -4.71 120.51 122.37 1bxh n ALA 236 Ca -0.13 -2.31 0.14 0.00 0.00 0.00 0.00 53.44 51.14 1bxh n ALA 236 Cb 0.57 -1.29 0.84 0.00 0.00 0.00 0.00 19.45 19.57 1bxh n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59