#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr1 h PRO 33 N 0.00 -0.31 0.00 5.31 0.11 -2.06 -3.48 132.00 131.58 1xr1 h PRO 33 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1xr1 h PRO 33 Cb 0.00 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1xr1 h PRO 33 CO 0.00 -0.21 0.00 -0.11 -0.21 0.00 0.00 178.00 177.47 1xr1 n LEU 34 N -4.28 0.00 0.14 2.35 7.94 -1.26 -4.93 117.00 116.96 1xr1 n LEU 34 Ca -0.03 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 54.96 1xr1 n LEU 34 Cb 0.22 0.00 0.51 0.00 0.53 0.00 0.00 43.42 44.68 1xr1 n LEU 34 CO 0.04 0.00 0.79 -0.62 -1.11 0.00 0.00 177.39 176.49 1xr1 n GLU 35 N 0.00 0.12 -0.02 1.96 4.71 -1.26 -0.18 120.64 125.97 1xr1 n GLU 35 Ca 0.00 0.62 0.13 0.00 -0.01 0.00 0.00 57.16 57.90 1xr1 n GLU 35 Cb 0.00 -1.91 0.32 0.00 -1.01 0.00 0.00 31.44 28.84 1xr1 n GLU 35 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1xr1 n SER 36 N -2.16 2.27 -0.04 1.62 3.41 -1.26 -4.39 113.62 113.08 1xr1 n SER 36 Ca -0.01 -1.76 -0.07 0.00 -0.26 0.00 0.00 58.87 56.77 1xr1 n SER 36 Cb 0.04 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1xr1 n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xr1 n GLN 37 N 0.76 0.16 -4.61 4.33 6.02 0.75 -4.78 117.38 120.02 1xr1 n GLN 37 Ca 0.17 0.06 -0.33 0.00 -0.01 0.00 0.00 57.00 56.88 1xr1 n GLN 37 Cb 0.47 -0.90 -0.11 0.00 1.02 0.00 0.00 30.24 30.72 1xr1 n GLN 37 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1xr1 s TYR 38 N -2.13 2.88 -0.54 1.08 1.51 -0.90 0.32 117.35 119.57 1xr1 s TYR 38 Ca -0.10 -0.03 -0.19 0.00 -1.01 0.00 0.00 57.07 55.75 1xr1 s TYR 38 Cb 0.03 -1.66 0.08 0.00 -0.11 0.00 0.00 41.96 40.30 1xr1 s TYR 38 CO 0.14 0.33 0.64 -1.14 -1.11 0.00 0.00 175.55 174.40 1xr1 s GLN 39 N -1.02 3.08 0.27 -0.62 2.00 0.13 -4.64 119.66 118.85 1xr1 s GLN 39 Ca 0.14 -1.12 -0.30 0.00 -2.00 0.00 0.00 55.36 52.08 1xr1 s GLN 39 Cb -0.11 -4.17 -0.10 0.00 0.80 0.00 0.00 33.01 29.43 1xr1 s GLN 39 CO 0.03 -1.34 1.43 0.08 -0.50 0.00 0.00 175.29 175.00 1xr1 s VAL 40 N 2.55 2.62 0.00 1.34 1.01 -1.26 -1.99 120.40 124.66 1xr1 s VAL 40 Ca 0.12 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1xr1 s VAL 40 Cb -0.22 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1xr1 s VAL 40 CO 0.09 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1xr1 n GLY 41 N 1.91 5.02 3.77 4.51 0.00 0.54 -4.95 105.19 115.98 1xr1 n GLY 41 Ca 0.06 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 1xr1 n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xr1 s PRO 42 N 2.12 3.58 0.12 1.61 0.04 -1.26 -4.29 135.00 136.92 1xr1 s PRO 42 Ca 0.00 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 1xr1 s PRO 42 Cb 0.00 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1xr1 s PRO 42 CO 0.00 -0.72 1.70 -1.17 0.04 0.00 0.00 177.00 176.86 1xr1 s LEU 43 N -3.25 4.38 0.17 -3.56 2.96 -1.26 -0.41 118.68 117.69 1xr1 s LEU 43 Ca 0.67 2.64 0.17 0.00 -0.22 0.00 0.00 54.13 57.38 1xr1 s LEU 43 Cb -0.30 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.79 1xr1 s LEU 43 CO 0.35 -0.92 1.09 -0.07 -1.32 0.00 0.00 176.35 175.48 1xr1 h LEU 44 N 8.11 0.00 0.00 -0.68 3.38 -0.92 -3.43 115.31 121.77 1xr1 h LEU 44 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xr1 h LEU 44 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xr1 h LEU 44 CO 0.94 0.46 0.00 0.61 0.09 0.00 0.00 178.44 180.54 1xr1 n GLY 45 N 1.30 0.00 2.18 0.83 0.00 -1.20 -4.93 105.19 103.37 1xr1 n GLY 45 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1xr1 n GLY 45 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xr1 n SER 46 N 0.00 -4.16 0.00 1.61 2.88 -1.26 -4.99 113.62 107.70 1xr1 n SER 46 Ca 0.00 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1xr1 n SER 46 Cb 0.00 -2.62 0.00 0.00 -0.75 0.00 0.00 64.21 60.84 1xr1 n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xr1 n GLY 47 N -1.35 0.78 0.20 0.46 0.00 -1.26 -5.15 105.19 98.86 1xr1 n GLY 47 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xr1 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr1 n GLY 48 N 0.00 -3.49 0.00 -0.02 0.00 -1.26 -5.02 105.19 95.40 1xr1 n GLY 48 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1xr1 n GLY 48 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xr1 n PHE 49 N -0.07 -1.48 0.00 1.61 3.72 -1.26 -5.00 117.46 114.98 1xr1 n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1xr1 n PHE 49 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1xr1 n PHE 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xr1 n GLY 50 N 2.85 -0.29 2.51 1.37 0.00 -1.26 -4.97 105.19 105.40 1xr1 n GLY 50 Ca 0.00 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 1xr1 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xr1 s SER 51 N -1.80 2.72 -0.17 1.61 0.01 -1.26 -4.94 113.70 109.88 1xr1 s SER 51 Ca 0.00 -2.05 0.00 0.00 1.31 0.00 0.00 55.95 55.21 1xr1 s SER 51 Cb 0.00 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1xr1 s SER 51 CO 0.00 -0.31 -0.12 0.54 0.41 0.00 0.00 173.24 173.76 1xr1 s VAL 52 N 1.18 1.55 0.28 3.43 0.11 -1.26 -0.34 120.40 125.35 1xr1 s VAL 52 Ca 0.17 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1xr1 s VAL 52 Cb -0.22 -1.55 -0.02 0.00 -1.53 0.00 0.00 36.38 33.06 1xr1 s VAL 52 CO -0.01 0.31 0.36 -0.31 -3.33 0.00 0.00 175.10 172.12 1xr1 s TYR 53 N 1.47 3.21 -0.33 1.54 1.51 0.14 -0.25 117.35 124.64 1xr1 s TYR 53 Ca 0.02 -0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 55.72 1xr1 s TYR 53 Cb -0.14 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1xr1 s TYR 53 CO -0.09 0.28 0.77 0.45 -1.11 0.00 0.00 175.55 175.84 1xr1 s SER 54 N -4.02 6.60 0.43 2.29 0.15 0.45 -1.01 113.70 118.58 1xr1 s SER 54 Ca 0.38 0.52 0.07 0.00 0.70 0.00 0.00 55.95 57.62 1xr1 s SER 54 Cb -0.09 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 1xr1 s SER 54 CO 0.29 -0.64 0.16 -0.83 1.20 0.00 0.00 173.24 173.42 1xr1 s GLY 55 N 1.70 2.40 -0.00 9.45 0.00 -0.33 0.20 107.32 120.74 1xr1 s GLY 55 Ca 0.31 -1.99 0.02 0.00 0.00 0.00 0.00 44.72 43.07 1xr1 s GLY 55 CO 0.14 -1.96 -0.08 -0.42 0.00 0.00 0.00 173.10 170.79 1xr1 s ILE 56 N -2.64 0.60 -0.48 0.90 -1.09 -0.84 -1.73 121.20 115.93 1xr1 s ILE 56 Ca 0.38 -0.36 -0.18 0.00 -2.23 0.00 0.00 60.65 58.25 1xr1 s ILE 56 Cb 0.04 -0.52 0.05 0.00 -1.58 0.00 0.00 42.46 40.46 1xr1 s ILE 56 CO 0.21 0.15 0.54 -0.60 -1.23 0.00 0.00 174.94 174.01 1xr1 s ARG 57 N -0.25 3.10 0.14 2.79 3.52 -0.31 0.17 118.95 128.12 1xr1 s ARG 57 Ca 0.02 -0.93 -0.32 0.00 -0.13 0.00 0.00 55.73 54.38 1xr1 s ARG 57 Cb -0.03 -4.07 -0.11 0.00 -1.56 0.00 0.00 34.95 29.18 1xr1 s ARG 57 CO -0.00 -1.10 1.81 0.28 -0.81 0.00 0.00 175.30 175.48 1xr1 n VAL 58 N 5.51 0.26 0.00 7.11 0.31 0.15 0.92 118.33 132.59 1xr1 n VAL 58 Ca -0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1xr1 n VAL 58 Cb 0.46 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1xr1 n VAL 58 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xr1 n SER 59 N 5.17 0.00 -0.00 4.52 3.41 -1.26 -4.72 113.62 120.73 1xr1 n SER 59 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1xr1 n SER 59 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1xr1 n SER 59 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xr1 n ASP 60 N 0.00 1.40 -4.23 4.04 3.85 -1.14 -5.00 116.55 115.47 1xr1 n ASP 60 Ca 0.00 -1.39 -0.35 0.00 -0.71 0.00 0.00 54.79 52.34 1xr1 n ASP 60 Cb 0.00 -0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 1xr1 n ASP 60 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1xr1 n ASN 61 N -0.19 -2.37 -4.70 -1.12 4.13 0.26 -4.89 115.26 106.37 1xr1 n ASN 61 Ca 0.00 -1.06 -0.42 0.00 1.68 0.00 0.00 54.58 54.79 1xr1 n ASN 61 Cb 0.10 -2.60 -0.03 0.00 -1.54 0.00 0.00 39.78 35.71 1xr1 n ASN 61 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xr1 s LEU 62 N -7.23 4.32 0.08 3.41 1.98 -1.18 -4.63 118.68 115.43 1xr1 s LEU 62 Ca 0.58 1.58 -0.31 0.00 -2.89 0.00 0.00 54.13 53.10 1xr1 s LEU 62 Cb -0.32 -3.52 -0.10 0.00 0.66 0.00 0.00 46.19 42.91 1xr1 s LEU 62 CO 0.94 -0.31 1.90 -2.84 -1.89 0.00 0.00 176.35 174.15 1xr1 s PRO 63 N 1.32 4.14 0.26 0.98 0.02 -1.26 -1.16 135.00 139.30 1xr1 s PRO 63 Ca 0.50 2.61 0.01 0.00 0.02 0.00 0.00 61.00 64.14 1xr1 s PRO 63 Cb -0.20 -3.88 -0.04 0.00 0.02 0.00 0.00 34.50 30.40 1xr1 s PRO 63 CO 0.24 -0.90 0.13 0.14 -0.33 0.00 0.00 177.00 176.27 1xr1 s VAL 64 N 3.61 0.33 -0.11 3.83 -7.23 -0.70 -2.20 120.40 117.93 1xr1 s VAL 64 Ca 0.85 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1xr1 s VAL 64 Cb -0.44 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 33.95 1xr1 s VAL 64 CO 0.39 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 175.07 1xr1 s ALA 65 N -3.81 1.49 -0.50 1.32 0.00 0.54 -1.19 121.76 119.61 1xr1 s ALA 65 Ca 0.38 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1xr1 s ALA 65 Cb 0.07 -0.89 0.07 0.00 0.00 0.00 0.00 23.12 22.37 1xr1 s ALA 65 CO 0.15 -0.29 0.52 0.42 0.00 0.00 0.00 175.76 176.56 1xr1 s ILE 66 N 1.42 5.05 -0.26 0.00 1.01 -0.18 -0.80 121.20 127.44 1xr1 s ILE 66 Ca 0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1xr1 s ILE 66 Cb -0.13 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 1xr1 s ILE 66 CO -0.06 -0.74 0.16 -0.75 0.00 0.00 0.00 174.94 173.55 1xr1 s LYS 67 N 2.13 3.95 -0.12 2.79 2.20 -0.06 -0.69 119.74 129.94 1xr1 s LYS 67 Ca 0.09 -0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 55.31 1xr1 s LYS 67 Cb -0.23 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1xr1 s LYS 67 CO 0.08 -0.08 0.12 -1.01 -0.36 0.00 0.00 175.35 174.10 1xr1 s HIS 68 N 1.45 3.53 -0.08 4.03 3.76 0.54 -0.33 115.29 128.18 1xr1 s HIS 68 Ca 0.07 0.46 0.01 0.00 -0.15 0.00 0.00 55.06 55.45 1xr1 s HIS 68 Cb -0.15 -1.95 0.02 0.00 1.11 0.00 0.00 32.58 31.61 1xr1 s HIS 68 CO 0.08 0.66 -0.09 0.54 -0.85 0.00 0.00 174.74 175.07 1xr1 s VAL 69 N -0.86 1.01 0.15 -0.90 0.11 -0.40 -4.12 120.40 115.40 1xr1 s VAL 69 Ca 0.14 -0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 58.54 1xr1 s VAL 69 Cb -0.12 -0.98 -0.07 0.00 -1.53 0.00 0.00 36.38 33.68 1xr1 s VAL 69 CO 0.03 0.34 1.15 -1.61 -3.33 0.00 0.00 175.10 171.69 1xr1 s GLU 70 N 1.13 4.53 0.27 1.54 2.02 -1.26 -1.51 118.70 125.42 1xr1 s GLU 70 Ca -0.06 1.78 -0.03 0.00 0.02 0.00 0.00 54.97 56.68 1xr1 s GLU 70 Cb -0.14 -3.28 0.36 0.00 0.10 0.00 0.00 34.13 31.16 1xr1 s GLU 70 CO -0.02 -0.05 1.85 0.87 0.02 0.00 0.00 175.26 177.94 1xr1 h LYS 71 N 5.52 0.98 -0.69 1.61 1.57 -1.31 -2.81 116.57 121.44 1xr1 h LYS 71 Ca -0.44 -0.15 0.09 0.00 -1.87 0.00 0.00 60.65 58.28 1xr1 h LYS 71 Cb 1.21 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 1xr1 h LYS 71 CO 0.75 0.79 0.33 -0.44 -0.57 0.00 0.00 179.45 180.31 1xr1 h ASP 72 N 0.97 0.43 -0.46 0.86 5.19 -1.92 -2.17 116.42 119.32 1xr1 h ASP 72 Ca 0.23 0.06 -0.26 0.00 -0.62 0.00 0.00 57.03 56.44 1xr1 h ASP 72 Cb 0.16 -0.01 -0.14 0.00 0.18 0.00 0.00 39.33 39.52 1xr1 h ASP 72 CO -0.02 0.25 0.34 -2.11 -3.12 0.00 0.00 179.24 174.57 1xr1 n ARG 73 N -4.88 1.64 -3.67 3.56 -4.01 -1.06 -4.79 116.66 103.45 1xr1 n ARG 73 Ca 0.10 -1.42 -0.39 0.00 -1.04 0.00 0.00 57.85 55.11 1xr1 n ARG 73 Cb 0.26 -1.56 -0.10 0.00 -3.04 0.00 0.00 32.46 28.02 1xr1 n ARG 73 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1xr1 s ILE 74 N -1.74 3.82 0.01 8.89 1.01 -0.82 -4.92 121.20 127.44 1xr1 s ILE 74 Ca 0.27 -1.74 -0.25 0.00 0.00 0.00 0.00 60.65 58.94 1xr1 s ILE 74 Cb 0.22 -3.47 -0.19 0.00 0.01 0.00 0.00 42.46 39.04 1xr1 s ILE 74 CO 0.03 -0.62 1.36 0.77 0.00 0.00 0.00 174.94 176.48 1xr1 h SER 75 N 8.27 -0.05 -3.54 3.58 4.64 -1.88 -3.45 113.55 121.12 1xr1 h SER 75 Ca -0.19 -0.34 -0.67 0.00 -0.47 0.00 0.00 61.79 60.12 1xr1 h SER 75 Cb 1.07 0.01 -0.20 0.00 -0.31 0.00 0.00 62.40 62.97 1xr1 h SER 75 CO 0.75 0.31 -0.69 -1.81 -0.87 0.00 0.00 176.83 174.52 1xr1 s ASP 76 N -5.49 4.64 0.08 4.97 -0.00 -1.26 -5.10 116.67 114.50 1xr1 s ASP 76 Ca -0.15 -0.07 0.10 0.00 -0.00 0.00 0.00 52.55 52.43 1xr1 s ASP 76 Cb 0.03 -1.36 -0.03 0.00 -0.00 0.00 0.00 42.92 41.56 1xr1 s ASP 76 CO 0.65 0.30 -0.26 0.26 -0.00 0.00 0.00 175.17 176.13 1xr1 s TRP 77 N -0.44 2.23 0.05 4.23 0.52 -1.26 -1.85 118.94 122.42 1xr1 s TRP 77 Ca 0.06 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.79 1xr1 s TRP 77 Cb -0.12 -1.29 -0.03 0.00 -1.15 0.00 0.00 33.47 30.88 1xr1 s TRP 77 CO 0.02 0.19 -0.05 0.20 0.02 0.00 0.00 176.95 177.34 1xr1 s GLY 78 N -1.53 0.49 -0.11 0.98 0.00 0.84 -4.69 107.32 103.31 1xr1 s GLY 78 Ca 0.12 -1.04 -0.18 0.00 0.00 0.00 0.00 44.72 43.62 1xr1 s GLY 78 CO 0.03 -1.13 0.47 -0.54 0.00 0.00 0.00 173.10 171.93 1xr1 s GLU 79 N -3.02 4.30 1.07 2.90 0.41 -1.26 -1.98 118.70 121.11 1xr1 s GLU 79 Ca 0.01 0.44 -0.13 0.00 -0.41 0.00 0.00 54.97 54.88 1xr1 s GLU 79 Cb 0.01 -3.41 0.23 0.00 -1.78 0.00 0.00 34.13 29.17 1xr1 s GLU 79 CO -0.05 0.21 1.07 -1.17 -0.49 0.00 0.00 175.26 174.83 1xr1 s LEU 80 N 0.44 1.25 0.60 1.80 2.96 -1.12 -4.75 118.68 119.87 1xr1 s LEU 80 Ca 0.26 1.24 0.29 0.00 -0.22 0.00 0.00 54.13 55.69 1xr1 s LEU 80 Cb -0.15 -3.31 1.45 0.00 0.50 0.00 0.00 46.19 44.68 1xr1 s LEU 80 CO 0.11 -3.55 1.86 1.55 -1.32 0.00 0.00 176.35 174.99 1xr1 h PRO 81 N -2.18 0.00 -1.12 0.98 0.13 -1.97 0.42 132.00 128.26 1xr1 h PRO 81 Ca -0.57 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.91 1xr1 h PRO 81 Cb 1.34 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.12 1xr1 h PRO 81 CO 0.56 0.00 0.21 0.27 -0.23 0.00 0.00 178.00 178.81 1xr1 n ASN 82 N -3.60 6.51 -3.49 1.44 6.94 -1.26 -4.98 115.26 116.82 1xr1 n ASN 82 Ca 0.08 -3.78 -0.36 0.00 -0.02 0.00 0.00 54.58 50.50 1xr1 n ASN 82 Cb 0.69 -0.74 0.03 0.00 -2.36 0.00 0.00 39.78 37.41 1xr1 n ASN 82 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xr1 n GLY 83 N -0.75 -0.05 2.77 4.83 0.00 0.14 -5.00 105.19 107.12 1xr1 n GLY 83 Ca 0.53 1.12 -0.26 0.00 0.00 0.00 0.00 46.02 47.42 1xr1 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xr1 s THR 84 N -1.68 0.53 -0.27 2.61 2.01 -1.26 -4.83 115.64 112.76 1xr1 s THR 84 Ca 0.34 -0.27 -0.34 0.00 0.31 0.00 0.00 61.69 61.73 1xr1 s THR 84 Cb -0.04 -0.85 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1xr1 s THR 84 CO 0.87 0.03 2.11 -1.14 -0.69 0.00 0.00 174.62 175.80 1xr1 n ARG 85 N 5.07 1.48 -3.82 4.92 3.00 -1.26 -2.78 116.66 123.27 1xr1 n ARG 85 Ca -0.09 0.45 -0.09 0.00 -0.00 0.00 0.00 57.85 58.13 1xr1 n ARG 85 Cb 0.48 -2.63 -0.07 0.00 0.00 0.00 0.00 32.46 30.25 1xr1 n ARG 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1xr1 s VAL 86 N 6.61 0.13 0.31 5.15 0.11 -0.84 -5.01 120.40 126.86 1xr1 s VAL 86 Ca 1.04 -1.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1xr1 s VAL 86 Cb -0.74 -1.31 -0.10 0.00 -1.53 0.00 0.00 36.38 32.70 1xr1 s VAL 86 CO 0.48 -0.59 1.43 -2.84 -3.33 0.00 0.00 175.10 170.25 1xr1 s PRO 87 N -3.85 4.24 0.64 1.54 0.02 -1.26 -0.11 135.00 136.21 1xr1 s PRO 87 Ca 0.05 2.36 0.27 0.00 0.02 0.00 0.00 61.00 63.70 1xr1 s PRO 87 Cb 0.04 -3.06 1.42 0.00 0.02 0.00 0.00 34.50 32.92 1xr1 s PRO 87 CO -0.11 -0.40 1.81 1.98 -0.33 0.00 0.00 177.00 179.96 1xr1 h MET 88 N 4.09 0.00 -0.42 5.54 4.05 -1.64 0.27 114.93 126.81 1xr1 h MET 88 Ca -0.48 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 58.83 1xr1 h MET 88 Cb 1.22 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 1xr1 h MET 88 CO 0.71 0.00 -0.17 1.49 0.23 0.00 0.00 176.91 179.17 1xr1 h GLU 89 N 0.00 0.86 -0.16 0.39 4.81 -1.84 -1.76 114.58 116.87 1xr1 h GLU 89 Ca 0.10 -0.36 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 1xr1 h GLU 89 Cb 1.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1xr1 h GLU 89 CO -0.00 1.00 -0.43 0.28 -0.73 0.00 0.00 179.01 179.13 1xr1 h VAL 90 N 0.68 1.31 0.25 0.32 2.07 -0.82 -1.39 116.25 118.67 1xr1 h VAL 90 Ca 0.10 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1xr1 h VAL 90 Cb 0.72 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1xr1 h VAL 90 CO 0.06 0.49 -0.12 0.58 0.02 0.00 0.00 177.57 178.59 1xr1 h VAL 91 N 0.32 0.80 -0.52 2.57 2.07 -1.37 -2.43 116.25 117.69 1xr1 h VAL 91 Ca 0.03 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1xr1 h VAL 91 Cb 0.89 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1xr1 h VAL 91 CO 0.07 0.10 0.33 -0.07 0.02 0.00 0.00 177.57 178.03 1xr1 h LEU 92 N -0.59 0.56 -1.02 2.57 3.38 -1.28 -2.48 115.31 116.44 1xr1 h LEU 92 Ca -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xr1 h LEU 92 Cb 0.43 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1xr1 h LEU 92 CO 0.06 0.40 0.64 -0.07 0.09 0.00 0.00 178.44 179.56 1xr1 h LEU 93 N 0.67 1.13 -0.91 1.67 3.38 -1.27 -1.97 115.31 118.01 1xr1 h LEU 93 Ca 0.20 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1xr1 h LEU 93 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1xr1 h LEU 93 CO -0.07 0.83 -0.42 0.07 0.09 0.00 0.00 178.44 178.94 1xr1 h LYS 94 N 1.33 0.00 0.00 1.13 5.09 -1.20 0.03 116.57 122.96 1xr1 h LYS 94 Ca 0.36 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.98 1xr1 h LYS 94 Cb -0.14 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.17 1xr1 h LYS 94 CO -0.08 0.42 -0.55 0.87 -2.09 0.00 0.00 179.45 178.02 1xr1 h LYS 95 N 0.00 0.00 -0.02 0.07 1.57 -0.94 -3.14 116.57 114.10 1xr1 h LYS 95 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xr1 h LYS 95 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1xr1 h LYS 95 CO 0.05 0.55 -0.07 1.33 -0.57 0.00 0.00 179.45 180.75 1xr1 n VAL 96 N -3.39 0.00 -3.09 0.50 0.24 -0.80 -4.84 118.33 106.95 1xr1 n VAL 96 Ca 0.01 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.34 61.45 1xr1 n VAL 96 Cb 0.69 1.41 -0.05 0.00 -1.47 0.00 0.00 33.84 34.42 1xr1 n VAL 96 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1xr1 s SER 97 N -1.86 7.10 0.00 -1.34 1.04 -0.02 -4.80 113.70 113.82 1xr1 s SER 97 Ca 0.24 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1xr1 s SER 97 Cb 0.18 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1xr1 s SER 97 CO 0.30 0.06 0.00 -1.54 0.98 0.00 0.00 173.24 173.04 1xr1 n SER 98 N 2.76 0.00 0.00 7.02 3.41 -1.26 -4.95 113.62 120.60 1xr1 n SER 98 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1xr1 n SER 98 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1xr1 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xr1 n GLY 99 N 0.00 0.00 3.53 5.00 0.00 -1.26 -4.99 105.19 107.47 1xr1 n GLY 99 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xr1 n GLY 99 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xr1 n PHE 100 N -2.81 1.11 0.00 1.61 7.35 -1.26 -4.76 117.46 118.70 1xr1 n PHE 100 Ca 0.00 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 1xr1 n PHE 100 Cb 0.44 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1xr1 n PHE 100 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1xr1 n SER 101 N 13.90 0.00 0.10 -2.13 3.41 -1.26 -3.41 113.62 124.23 1xr1 n SER 101 Ca 0.48 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 59.10 1xr1 n SER 101 Cb 0.35 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.67 1xr1 n SER 101 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1xr1 h GLY 102 N 0.15 0.31 -4.44 5.00 0.00 -1.86 -3.43 103.07 98.79 1xr1 h GLY 102 Ca 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 47.33 46.62 1xr1 h GLY 102 CO 0.00 0.18 -0.82 0.54 0.00 0.00 0.00 176.54 176.44 1xr1 s VAL 103 N -4.73 1.47 0.33 4.60 0.11 -1.22 -0.92 120.40 120.04 1xr1 s VAL 103 Ca -0.06 -1.28 -0.29 0.00 -2.93 0.00 0.00 61.98 57.42 1xr1 s VAL 103 Cb 0.15 -1.33 -0.11 0.00 -1.53 0.00 0.00 36.38 33.57 1xr1 s VAL 103 CO 0.74 0.01 1.51 0.27 -3.33 0.00 0.00 175.10 174.30 1xr1 s ILE 104 N -1.00 2.14 0.02 7.04 -5.25 -0.73 -4.82 121.20 118.60 1xr1 s ILE 104 Ca 0.04 0.13 -0.14 0.00 -0.99 0.00 0.00 60.65 59.69 1xr1 s ILE 104 Cb -0.09 -3.08 -0.06 0.00 2.95 0.00 0.00 42.46 42.18 1xr1 s ILE 104 CO 0.03 0.03 0.41 -0.13 -1.79 0.00 0.00 174.94 173.48 1xr1 s ARG 105 N -1.38 3.89 -0.54 0.37 0.52 -1.26 -4.92 118.95 115.63 1xr1 s ARG 105 Ca 0.57 0.37 -0.27 0.00 -0.52 0.00 0.00 55.73 55.88 1xr1 s ARG 105 Cb -0.46 -3.18 0.03 0.00 0.52 0.00 0.00 34.95 31.86 1xr1 s ARG 105 CO 0.56 0.67 1.10 -1.17 0.02 0.00 0.00 175.30 176.47 1xr1 s LEU 106 N -1.23 3.68 0.17 2.53 0.20 -1.26 -2.01 118.68 120.76 1xr1 s LEU 106 Ca 0.25 0.07 -0.01 0.00 0.69 0.00 0.00 54.13 55.14 1xr1 s LEU 106 Cb -0.16 -3.16 0.05 0.00 -0.43 0.00 0.00 46.19 42.48 1xr1 s LEU 106 CO 0.14 -1.34 1.42 -0.07 -0.29 0.00 0.00 176.35 176.21 1xr1 h LEU 107 N 11.46 0.43 -7.18 -0.68 3.38 -0.53 -3.48 115.31 118.71 1xr1 h LEU 107 Ca -0.25 -0.30 0.33 0.00 0.09 0.00 0.00 57.88 57.75 1xr1 h LEU 107 Cb 1.06 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 1xr1 h LEU 107 CO 1.14 1.05 0.85 -0.62 0.09 0.00 0.00 178.44 180.94 1xr1 s ASP 108 N -6.97 -0.06 0.15 -0.43 2.15 -1.11 -5.01 116.67 105.40 1xr1 s ASP 108 Ca -0.05 -0.11 -0.07 0.00 0.43 0.00 0.00 52.55 52.75 1xr1 s ASP 108 Cb 0.10 0.14 -0.01 0.00 -0.30 0.00 0.00 42.92 42.85 1xr1 s ASP 108 CO 0.84 -0.26 0.23 -1.66 -0.17 0.00 0.00 175.17 174.14 1xr1 s TRP 109 N -2.38 0.47 0.03 -5.34 1.48 -1.26 0.10 118.94 112.04 1xr1 s TRP 109 Ca 0.14 -0.85 -0.04 0.00 -1.06 0.00 0.00 56.10 54.29 1xr1 s TRP 109 Cb 0.05 -0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.20 1xr1 s TRP 109 CO -0.04 -0.66 0.07 -0.06 -4.06 0.00 0.00 176.95 172.20 1xr1 s PHE 110 N -3.98 0.20 -0.08 1.66 0.40 0.15 -4.97 117.98 111.36 1xr1 s PHE 110 Ca 0.17 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1xr1 s PHE 110 Cb 0.04 -0.15 -0.01 0.00 0.51 0.00 0.00 43.02 43.41 1xr1 s PHE 110 CO -0.01 -0.31 -0.19 -2.00 0.70 0.00 0.00 175.22 173.41 1xr1 s GLU 111 N -2.17 2.87 0.20 0.44 2.12 -1.26 -0.44 118.70 120.47 1xr1 s GLU 111 Ca -0.09 -0.79 0.10 0.00 0.36 0.00 0.00 54.97 54.55 1xr1 s GLU 111 Cb -0.04 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.93 1xr1 s GLU 111 CO -0.03 0.35 -0.19 1.03 -0.54 0.00 0.00 175.26 175.89 1xr1 s ARG 112 N -0.05 1.42 0.25 4.30 0.52 0.15 -5.00 118.95 120.53 1xr1 s ARG 112 Ca -0.05 -1.55 0.08 0.00 -0.52 0.00 0.00 55.73 53.69 1xr1 s ARG 112 Cb -0.14 -1.46 0.76 0.00 0.52 0.00 0.00 34.95 34.62 1xr1 s ARG 112 CO 0.04 0.28 1.14 -0.35 0.02 0.00 0.00 175.30 176.44 1xr1 n PRO 113 N -0.07 -0.05 0.00 3.54 -0.04 -1.26 -1.91 135.00 135.21 1xr1 n PRO 113 Ca -0.10 1.04 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1xr1 n PRO 113 Cb 0.58 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1xr1 n PRO 113 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xr1 n ASP 114 N -4.82 1.13 -3.89 3.54 8.00 -1.26 -5.04 116.55 114.22 1xr1 n ASP 114 Ca 0.22 -1.34 -0.09 0.00 0.71 0.00 0.00 54.79 54.29 1xr1 n ASP 114 Cb 0.74 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 1xr1 n ASP 114 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xr1 s SER 115 N -0.34 -0.06 -0.04 -2.24 1.04 -0.80 -0.78 113.70 110.48 1xr1 s SER 115 Ca 0.00 -0.91 0.06 0.00 0.48 0.00 0.00 55.95 55.58 1xr1 s SER 115 Cb 0.00 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 1xr1 s SER 115 CO 0.00 -1.21 -0.23 -0.36 0.98 0.00 0.00 173.24 172.42 1xr1 s PHE 116 N -3.87 2.14 -0.12 5.02 0.40 -0.57 0.33 117.98 121.31 1xr1 s PHE 116 Ca 0.20 -0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1xr1 s PHE 116 Cb -0.02 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1xr1 s PHE 116 CO 0.09 -0.13 -0.02 0.08 0.70 0.00 0.00 175.22 175.94 1xr1 s VAL 117 N -0.28 4.06 -0.09 -0.44 1.01 0.42 -1.27 120.40 123.81 1xr1 s VAL 117 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1xr1 s VAL 117 Cb -0.11 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1xr1 s VAL 117 CO 0.01 0.54 -0.18 -0.76 0.00 0.00 0.00 175.10 174.71 1xr1 s LEU 118 N -0.18 2.44 -0.39 3.92 1.43 0.55 -0.67 118.68 125.79 1xr1 s LEU 118 Ca 0.04 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1xr1 s LEU 118 Cb -0.13 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.65 1xr1 s LEU 118 CO 0.02 0.23 0.20 -0.63 0.23 0.00 0.00 176.35 176.40 1xr1 s ILE 119 N -0.05 4.10 0.15 -0.59 -1.09 0.11 -0.88 121.20 122.95 1xr1 s ILE 119 Ca -0.05 -1.26 0.04 0.00 -2.23 0.00 0.00 60.65 57.15 1xr1 s ILE 119 Cb -0.14 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1xr1 s ILE 119 CO 0.04 -0.37 0.19 -0.76 -1.23 0.00 0.00 174.94 172.82 1xr1 s LEU 120 N 1.43 4.04 0.44 2.97 1.43 0.02 0.26 118.68 129.25 1xr1 s LEU 120 Ca 0.02 0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 1xr1 s LEU 120 Cb -0.21 -2.64 -0.08 0.00 0.03 0.00 0.00 46.19 43.29 1xr1 s LEU 120 CO 0.03 0.07 1.12 -1.83 0.23 0.00 0.00 176.35 175.97 1xr1 s GLU 121 N -3.09 3.91 -0.18 1.70 -1.05 -0.85 -0.34 118.70 118.80 1xr1 s GLU 121 Ca 0.32 1.66 -0.01 0.00 -0.15 0.00 0.00 54.97 56.79 1xr1 s GLU 121 Cb -0.11 -2.44 0.05 0.00 -0.44 0.00 0.00 34.13 31.19 1xr1 s GLU 121 CO 0.25 -0.40 -0.05 0.50 0.95 0.00 0.00 175.26 176.52 1xr1 s ARG 122 N -2.66 1.40 0.76 -4.83 3.52 -0.93 -4.59 118.95 111.62 1xr1 s ARG 122 Ca 0.62 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.53 1xr1 s ARG 122 Cb -0.25 -2.10 0.05 0.00 -1.56 0.00 0.00 34.95 31.08 1xr1 s ARG 122 CO 0.31 -0.47 1.09 -1.25 -0.81 0.00 0.00 175.30 174.16 1xr1 s PRO 123 N 1.62 2.34 -0.29 5.12 0.04 -1.26 -4.56 135.00 138.01 1xr1 s PRO 123 Ca -0.00 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 1xr1 s PRO 123 Cb -0.16 -1.91 0.11 0.00 0.04 0.00 0.00 34.50 32.58 1xr1 s PRO 123 CO -0.07 -1.56 0.67 -2.00 0.04 0.00 0.00 177.00 174.08 1xr1 s GLU 124 N -4.94 0.64 0.79 4.56 2.12 -1.26 -4.18 118.70 116.43 1xr1 s GLU 124 Ca 0.61 1.34 -0.11 0.00 0.36 0.00 0.00 54.97 57.18 1xr1 s GLU 124 Cb -0.16 0.53 0.07 0.00 0.26 0.00 0.00 34.13 34.82 1xr1 s GLU 124 CO 0.56 -0.18 1.10 -2.14 -0.54 0.00 0.00 175.26 174.06 1xr1 s PRO 125 N 2.31 2.12 0.05 4.30 0.02 -1.26 -4.89 135.00 137.64 1xr1 s PRO 125 Ca -0.08 1.18 -0.07 0.00 0.02 0.00 0.00 61.00 62.05 1xr1 s PRO 125 Cb -0.09 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 1xr1 s PRO 125 CO -0.19 -1.74 0.13 0.54 -0.33 0.00 0.00 177.00 175.40 1xr1 s VAL 126 N -2.89 0.14 -0.28 3.83 0.11 -1.26 -2.89 120.40 117.16 1xr1 s VAL 126 Ca 0.62 -1.12 -0.20 0.00 -2.93 0.00 0.00 61.98 58.35 1xr1 s VAL 126 Cb -0.18 -1.04 0.10 0.00 -1.53 0.00 0.00 36.38 33.73 1xr1 s VAL 126 CO 0.56 -0.62 0.81 -1.58 -3.33 0.00 0.00 175.10 170.94 1xr1 s GLN 127 N -2.96 0.65 0.58 1.54 0.74 -1.09 -4.96 119.66 114.16 1xr1 s GLN 127 Ca -0.02 0.96 -0.14 0.00 0.05 0.00 0.00 55.36 56.20 1xr1 s GLN 127 Cb 0.01 0.22 -0.05 0.00 1.10 0.00 0.00 33.01 34.29 1xr1 s GLN 127 CO -0.06 -0.11 1.02 0.16 -0.55 0.00 0.00 175.29 175.75 1xr1 s ASP 128 N 1.02 6.15 0.38 6.67 3.84 -1.26 -0.80 116.67 132.66 1xr1 s ASP 128 Ca -0.05 1.60 0.10 0.00 -0.00 0.00 0.00 52.55 54.20 1xr1 s ASP 128 Cb -0.05 -2.50 0.87 0.00 -1.38 0.00 0.00 42.92 39.86 1xr1 s ASP 128 CO -0.11 -0.92 1.91 0.25 -0.00 0.00 0.00 175.17 176.30 1xr1 h LEU 129 N 0.27 0.58 -0.28 2.11 6.46 -1.21 -1.31 115.31 121.94 1xr1 h LEU 129 Ca -0.46 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 1xr1 h LEU 129 Cb 1.20 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1xr1 h LEU 129 CO 0.60 0.32 0.08 0.15 -0.62 0.00 0.00 178.44 178.97 1xr1 h PHE 130 N 0.63 0.46 -0.29 1.25 3.04 -1.80 0.10 116.94 120.34 1xr1 h PHE 130 Ca 0.39 -0.05 -0.13 0.00 3.98 0.00 0.00 57.97 62.16 1xr1 h PHE 130 Cb 0.64 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1xr1 h PHE 130 CO -0.00 0.50 -0.35 -0.44 -2.02 0.00 0.00 178.31 176.00 1xr1 h ASP 131 N 0.29 0.68 -0.05 0.41 3.32 -1.80 -1.08 116.42 118.19 1xr1 h ASP 131 Ca 0.09 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1xr1 h ASP 131 Cb 0.26 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1xr1 h ASP 131 CO -0.00 0.97 -0.09 0.15 -1.72 0.00 0.00 179.24 178.55 1xr1 h PHE 132 N 0.54 0.32 0.23 4.55 3.57 -1.00 -1.12 116.94 124.03 1xr1 h PHE 132 Ca 0.06 -0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.21 1xr1 h PHE 132 Cb 0.86 -0.09 0.03 0.00 2.79 0.00 0.00 35.95 39.54 1xr1 h PHE 132 CO 0.04 0.40 -1.37 0.82 -2.23 0.00 0.00 178.31 175.96 1xr1 h ILE 133 N 0.29 1.31 -0.82 1.41 1.08 -0.49 -2.61 117.51 117.68 1xr1 h ILE 133 Ca 0.06 -2.66 -0.02 0.00 -0.39 0.00 0.00 64.86 61.85 1xr1 h ILE 133 Cb 0.35 3.07 -0.04 0.00 -3.07 0.00 0.00 36.82 37.12 1xr1 h ILE 133 CO 0.02 0.79 0.43 0.74 -0.69 0.00 0.00 178.15 179.44 1xr1 h THR 134 N 0.05 1.25 -0.30 -0.27 2.02 -1.03 2.24 112.91 116.86 1xr1 h THR 134 Ca -0.24 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.18 1xr1 h THR 134 Cb 2.07 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1xr1 h THR 134 CO 0.25 0.29 -0.22 -0.08 0.37 0.00 0.00 175.52 176.13 1xr1 h GLU 135 N 1.15 0.68 0.00 6.66 4.81 -1.29 -3.33 114.58 123.26 1xr1 h GLU 135 Ca 0.29 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xr1 h GLU 135 Cb 0.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1xr1 h GLU 135 CO -0.04 0.93 -0.68 -2.13 -0.73 0.00 0.00 179.01 176.36 1xr1 n ARG 136 N -4.32 2.29 0.00 1.92 0.63 -0.98 -5.10 116.66 111.10 1xr1 n ARG 136 Ca -0.03 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1xr1 n ARG 136 Cb 0.43 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 32.17 1xr1 n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xr1 n GLY 137 N 1.34 -1.40 3.01 5.14 0.00 0.76 -4.80 105.19 109.24 1xr1 n GLY 137 Ca 0.03 -1.17 -0.47 0.00 0.00 0.00 0.00 46.02 44.41 1xr1 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr1 n ALA 138 N 0.00 -2.98 -2.30 4.61 0.00 -1.26 -4.79 120.51 113.79 1xr1 n ALA 138 Ca 0.00 0.46 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 1xr1 n ALA 138 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 1xr1 n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xr1 s LEU 139 N 1.18 4.17 0.56 0.00 1.43 0.35 -4.94 118.68 121.43 1xr1 s LEU 139 Ca 0.69 1.09 -0.20 0.00 -1.03 0.00 0.00 54.13 54.68 1xr1 s LEU 139 Cb -0.97 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 1xr1 s LEU 139 CO 0.49 -0.08 1.26 -1.10 0.23 0.00 0.00 176.35 177.15 1xr1 s GLN 140 N -2.69 3.12 0.26 1.70 -0.21 -1.26 -4.57 119.66 116.02 1xr1 s GLN 140 Ca 0.48 1.99 -0.03 0.00 0.02 0.00 0.00 55.36 57.82 1xr1 s GLN 140 Cb -0.12 -2.12 0.41 0.00 1.00 0.00 0.00 33.01 32.19 1xr1 s GLN 140 CO 0.20 -1.13 1.86 0.93 -2.12 0.00 0.00 175.29 175.03 1xr1 h GLU 141 N 1.25 1.04 -0.60 2.91 5.08 -1.96 0.79 114.58 123.09 1xr1 h GLU 141 Ca -0.50 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 57.84 1xr1 h GLU 141 Cb 1.29 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1xr1 h GLU 141 CO 0.56 0.69 0.33 1.49 -1.00 0.00 0.00 179.01 181.08 1xr1 h GLU 142 N 1.07 0.60 -0.19 2.33 4.81 -2.00 0.21 114.58 121.42 1xr1 h GLU 142 Ca 0.43 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.47 1xr1 h GLU 142 Cb 0.24 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1xr1 h GLU 142 CO -0.19 0.40 -0.52 1.25 -0.73 0.00 0.00 179.01 179.22 1xr1 h LEU 143 N 0.62 0.60 -1.33 1.64 5.85 -1.73 -2.82 115.31 118.14 1xr1 h LEU 143 Ca 0.26 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1xr1 h LEU 143 Cb 0.14 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1xr1 h LEU 143 CO -0.16 1.01 -0.33 0.00 -0.34 0.00 0.00 178.44 178.61 1xr1 h ALA 144 N 1.01 1.44 -0.30 1.25 0.00 0.03 -1.90 119.26 120.79 1xr1 h ALA 144 Ca 0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1xr1 h ALA 144 Cb 1.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1xr1 h ALA 144 CO 0.10 0.42 -0.33 -0.09 0.00 0.00 0.00 179.25 179.34 1xr1 h ARG 145 N 0.00 0.75 -0.10 0.00 2.43 -0.42 0.38 114.38 117.42 1xr1 h ARG 145 Ca -0.00 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1xr1 h ARG 145 Cb 0.59 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1xr1 h ARG 145 CO 0.04 1.04 -0.03 1.03 -1.51 0.00 0.00 179.97 180.54 1xr1 h SER 146 N 0.51 0.19 0.51 -3.80 0.87 -1.28 -1.91 113.55 108.64 1xr1 h SER 146 Ca 0.04 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 1xr1 h SER 146 Cb 0.91 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1xr1 h SER 146 CO 0.08 0.52 -0.24 -0.26 -0.53 0.00 0.00 176.83 176.40 1xr1 h PHE 147 N -0.14 -0.63 -0.55 2.24 -1.00 -1.37 -1.38 116.94 114.12 1xr1 h PHE 147 Ca 0.02 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.86 1xr1 h PHE 147 Cb 0.44 0.21 -0.06 0.00 3.61 0.00 0.00 35.95 40.15 1xr1 h PHE 147 CO 0.05 -0.36 0.24 0.35 -1.61 0.00 0.00 178.31 176.98 1xr1 h PHE 148 N -0.76 0.42 -0.05 -0.55 3.57 -1.00 -1.80 116.94 116.78 1xr1 h PHE 148 Ca -0.07 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1xr1 h PHE 148 Cb 0.56 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1xr1 h PHE 148 CO -0.02 0.17 -0.26 2.35 -2.23 0.00 0.00 178.31 178.31 1xr1 h TRP 149 N 0.45 -0.69 -0.94 0.41 2.91 -1.24 -0.57 115.95 116.27 1xr1 h TRP 149 Ca 0.26 0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.42 1xr1 h TRP 149 Cb 0.24 0.31 -0.08 0.00 -0.51 0.00 0.00 29.16 29.12 1xr1 h TRP 149 CO -0.13 -0.35 0.57 1.96 -1.03 0.00 0.00 178.44 179.46 1xr1 h GLN 150 N -0.37 0.87 -0.18 2.65 4.20 -0.45 0.32 115.11 122.14 1xr1 h GLN 150 Ca 0.08 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1xr1 h GLN 150 Cb 0.48 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1xr1 h GLN 150 CO -0.26 0.58 -0.47 -0.39 -0.67 0.00 0.00 178.83 177.62 1xr1 h VAL 151 N 0.90 1.32 -0.80 -0.54 -1.51 -0.70 -1.33 116.25 113.58 1xr1 h VAL 151 Ca 0.47 -1.67 0.03 0.00 -1.23 0.00 0.00 66.70 64.30 1xr1 h VAL 151 Cb 0.49 1.69 -0.05 0.00 -2.13 0.00 0.00 31.29 31.29 1xr1 h VAL 151 CO -0.28 0.51 0.51 -0.07 -1.23 0.00 0.00 177.57 177.02 1xr1 h LEU 152 N 0.37 0.86 -0.80 4.19 3.38 0.57 0.50 115.31 124.39 1xr1 h LEU 152 Ca 0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1xr1 h LEU 152 Cb 0.96 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1xr1 h LEU 152 CO 0.08 0.60 0.00 -0.33 0.09 0.00 0.00 178.44 178.89 1xr1 h GLU 153 N 1.01 0.91 -0.22 1.13 4.39 -0.77 0.76 114.58 121.79 1xr1 h GLU 153 Ca 0.31 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1xr1 h GLU 153 Cb -0.02 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1xr1 h GLU 153 CO -0.10 0.90 -0.28 0.00 -1.16 0.00 0.00 179.01 178.37 1xr1 h ALA 154 N 1.15 0.33 -0.28 3.43 0.00 -0.09 0.11 119.26 123.92 1xr1 h ALA 154 Ca 0.16 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1xr1 h ALA 154 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xr1 h ALA 154 CO 0.02 0.34 -0.21 0.28 0.00 0.00 0.00 179.25 179.69 1xr1 h VAL 155 N 0.27 1.26 -0.46 0.00 2.07 0.05 -0.89 116.25 118.56 1xr1 h VAL 155 Ca 0.03 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.26 1xr1 h VAL 155 Cb 0.85 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1xr1 h VAL 155 CO 0.07 0.38 -0.09 -0.09 0.02 0.00 0.00 177.57 177.86 1xr1 h ARG 156 N 0.46 0.82 -0.45 1.57 2.43 -0.71 -1.63 114.38 116.87 1xr1 h ARG 156 Ca 0.07 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1xr1 h ARG 156 Cb 0.62 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1xr1 h ARG 156 CO 0.04 0.88 0.19 1.25 -1.51 0.00 0.00 179.97 180.82 1xr1 h HIS 157 N 0.74 0.67 -0.42 2.20 2.76 -0.18 -1.63 115.15 119.29 1xr1 h HIS 157 Ca 0.13 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1xr1 h HIS 157 Cb 0.58 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1xr1 h HIS 157 CO 0.03 0.57 0.25 0.00 -1.30 0.00 0.00 177.93 177.48 1xr1 h HIS 159 N 0.51 0.13 0.00 0.00 -0.00 -1.07 0.29 115.15 115.00 1xr1 h HIS 159 Ca 0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1xr1 h HIS 159 Cb -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1xr1 h HIS 159 CO -0.07 0.36 0.00 -0.91 -0.00 0.00 0.00 177.93 177.32 1xr1 h ASN 160 N 0.11 0.00 -0.28 2.45 4.21 -0.47 -2.41 115.58 119.19 1xr1 h ASN 160 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1xr1 h ASN 160 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1xr1 h ASN 160 CO 0.04 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.18 1xr1 n GLY 162 N -0.09 0.41 3.29 0.00 0.00 -0.91 -4.83 105.19 103.06 1xr1 n GLY 162 Ca 0.16 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1xr1 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xr1 s VAL 163 N -2.21 2.18 -0.27 1.61 1.01 0.93 -0.52 120.40 123.12 1xr1 s VAL 163 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1xr1 s VAL 163 Cb 0.00 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.62 1xr1 s VAL 163 CO 0.00 0.57 -0.05 -0.22 0.00 0.00 0.00 175.10 175.39 1xr1 s LEU 164 N -0.17 3.52 0.09 3.92 1.98 0.81 -2.64 118.68 126.19 1xr1 s LEU 164 Ca -0.03 -1.18 -0.26 0.00 -2.89 0.00 0.00 54.13 49.77 1xr1 s LEU 164 Cb -0.14 -1.64 -0.16 0.00 0.66 0.00 0.00 46.19 44.91 1xr1 s LEU 164 CO 0.04 -0.20 1.71 -0.74 -1.89 0.00 0.00 176.35 175.27 1xr1 h HIS 165 N 7.94 -0.23 0.00 5.38 -0.00 -1.93 -0.68 115.15 125.62 1xr1 h HIS 165 Ca -0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1xr1 h HIS 165 Cb 1.07 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 1xr1 h HIS 165 CO 0.61 -0.14 0.00 0.54 -0.00 0.00 0.00 177.93 178.93 1xr1 n ARG 166 N -5.20 -0.50 -2.72 5.26 1.74 -1.26 -2.53 116.66 111.45 1xr1 n ARG 166 Ca -0.09 0.13 -0.04 0.00 -0.77 0.00 0.00 57.85 57.08 1xr1 n ARG 166 Cb 0.12 -3.66 0.09 0.00 -1.02 0.00 0.00 32.46 27.99 1xr1 n ARG 166 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xr1 n ASP 167 N -0.25 -0.25 -4.71 0.55 2.03 -1.26 -4.54 116.55 108.12 1xr1 n ASP 167 Ca 0.00 -2.29 -0.42 0.00 0.52 0.00 0.00 54.79 52.59 1xr1 n ASP 167 Cb 0.13 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 1xr1 n ASP 167 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1xr1 s ILE 168 N -1.47 3.60 -0.19 5.18 1.01 -1.26 -4.71 121.20 123.35 1xr1 s ILE 168 Ca 0.20 1.12 -0.31 0.00 0.00 0.00 0.00 60.65 61.65 1xr1 s ILE 168 Cb 0.41 -3.72 0.15 0.00 0.01 0.00 0.00 42.46 39.31 1xr1 s ILE 168 CO -0.07 0.07 1.16 -1.59 0.00 0.00 0.00 174.94 174.51 1xr1 s LYS 169 N 1.37 0.37 0.47 2.79 -2.85 -1.26 -4.90 119.74 115.72 1xr1 s LYS 169 Ca 0.63 -0.02 0.28 0.00 -1.00 0.00 0.00 55.97 55.86 1xr1 s LYS 169 Cb -0.34 0.17 1.33 0.00 -2.06 0.00 0.00 37.83 36.94 1xr1 s LYS 169 CO 0.29 -0.14 1.77 0.38 0.10 0.00 0.00 175.35 177.75 1xr1 h ASP 170 N 2.18 0.23 -0.11 0.03 -0.00 -1.93 0.24 116.42 117.06 1xr1 h ASP 170 Ca -0.13 0.05 -0.10 0.00 -0.00 0.00 0.00 57.03 56.86 1xr1 h ASP 170 Cb 1.18 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.51 1xr1 h ASP 170 CO 0.26 0.02 -0.24 -0.33 -0.00 0.00 0.00 179.24 178.95 1xr1 h GLU 171 N 0.19 0.55 -0.84 4.15 5.08 -1.95 -2.89 114.58 118.87 1xr1 h GLU 171 Ca 0.61 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1xr1 h GLU 171 Cb 1.96 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.17 1xr1 h GLU 171 CO -0.18 0.75 0.01 0.09 -1.00 0.00 0.00 179.01 178.67 1xr1 n ASN 172 N -4.12 2.88 -3.97 1.42 3.02 0.82 -4.81 115.26 110.51 1xr1 n ASN 172 Ca -0.00 -2.37 -0.18 0.00 -0.03 0.00 0.00 54.58 52.00 1xr1 n ASN 172 Cb 0.41 -0.58 -0.15 0.00 -0.61 0.00 0.00 39.78 38.86 1xr1 n ASN 172 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1xr1 s ILE 173 N -1.69 0.56 0.22 2.41 -4.36 -1.17 -1.21 121.20 115.97 1xr1 s ILE 173 Ca 0.22 -0.27 0.08 0.00 -0.26 0.00 0.00 60.65 60.41 1xr1 s ILE 173 Cb 0.16 -0.49 -0.04 0.00 1.25 0.00 0.00 42.46 43.34 1xr1 s ILE 173 CO 0.06 0.17 0.08 -0.76 0.24 0.00 0.00 174.94 174.74 1xr1 s LEU 174 N 0.03 3.51 -0.23 0.37 1.43 0.83 -1.83 118.68 122.79 1xr1 s LEU 174 Ca -0.00 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1xr1 s LEU 174 Cb -0.05 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1xr1 s LEU 174 CO -0.00 0.02 -0.14 -0.63 0.23 0.00 0.00 176.35 175.83 1xr1 s ILE 175 N -2.04 2.20 -0.76 -0.59 1.01 0.02 -0.04 121.20 121.00 1xr1 s ILE 175 Ca 0.31 -1.33 -0.27 0.00 0.00 0.00 0.00 60.65 59.36 1xr1 s ILE 175 Cb -0.08 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.27 1xr1 s ILE 175 CO 0.22 0.19 1.31 -0.62 0.00 0.00 0.00 174.94 176.04 1xr1 s ASP 176 N 1.19 6.17 0.62 3.58 3.68 -0.18 -2.66 116.67 129.06 1xr1 s ASP 176 Ca -0.03 -0.52 0.33 0.00 2.13 0.00 0.00 52.55 54.46 1xr1 s ASP 176 Cb -0.17 -2.56 1.90 0.00 -1.45 0.00 0.00 42.92 40.64 1xr1 s ASP 176 CO -0.08 -1.82 2.20 -0.07 0.13 0.00 0.00 175.17 175.53 1xr1 h LEU 177 N 13.10 0.00 0.12 -1.34 3.38 -1.84 0.47 115.31 129.20 1xr1 h LEU 177 Ca -0.23 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.53 1xr1 h LEU 177 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1xr1 h LEU 177 CO 1.29 0.00 -0.98 0.78 0.09 0.00 0.00 178.44 179.62 1xr1 h ASN 178 N 0.00 0.39 1.18 -0.43 -0.26 -1.89 -3.36 115.58 111.21 1xr1 h ASN 178 Ca 0.03 -0.91 0.00 0.00 -0.56 0.00 0.00 56.30 54.86 1xr1 h ASN 178 Cb 0.23 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1xr1 h ASN 178 CO -0.00 1.45 -0.65 0.03 -1.06 0.00 0.00 177.43 177.20 1xr1 h ARG 179 N -0.41 0.00 -1.60 0.81 -0.00 -1.89 -3.46 114.38 107.83 1xr1 h ARG 179 Ca -0.19 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.11 1xr1 h ARG 179 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.60 1xr1 h ARG 179 CO 0.10 0.00 -0.24 0.41 0.00 0.00 0.00 179.97 180.24 1xr1 n GLY 180 N 1.21 0.06 3.45 0.04 0.00 0.16 -2.91 105.19 107.21 1xr1 n GLY 180 Ca 0.02 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1xr1 n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xr1 s GLU 181 N -4.65 3.60 0.10 1.61 2.02 -1.08 -4.63 118.70 115.68 1xr1 s GLU 181 Ca 0.05 -0.54 -0.23 0.00 0.02 0.00 0.00 54.97 54.27 1xr1 s GLU 181 Cb -0.02 -2.97 -0.07 0.00 0.10 0.00 0.00 34.13 31.17 1xr1 s GLU 181 CO 0.06 0.10 0.69 -0.51 0.02 0.00 0.00 175.26 175.62 1xr1 s LEU 182 N 0.73 4.54 -0.14 1.80 1.43 -1.26 -1.01 118.68 124.76 1xr1 s LEU 182 Ca -0.01 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1xr1 s LEU 182 Cb -0.14 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1xr1 s LEU 182 CO 0.02 0.20 -0.19 -0.54 0.23 0.00 0.00 176.35 176.07 1xr1 s LYS 183 N -0.89 3.12 0.19 1.70 -0.14 0.94 -4.67 119.74 119.99 1xr1 s LYS 183 Ca 0.33 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 1xr1 s LYS 183 Cb -0.21 -2.51 -0.08 0.00 -1.68 0.00 0.00 37.83 33.35 1xr1 s LYS 183 CO 0.22 0.03 0.95 -1.17 -0.76 0.00 0.00 175.35 174.63 1xr1 s LEU 184 N 0.74 4.59 0.32 3.17 2.96 -0.10 -0.12 118.68 130.23 1xr1 s LEU 184 Ca -0.08 1.89 0.05 0.00 -0.22 0.00 0.00 54.13 55.77 1xr1 s LEU 184 Cb -0.16 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 1xr1 s LEU 184 CO 0.00 0.06 0.22 0.27 -1.32 0.00 0.00 176.35 175.59 1xr1 s ILE 185 N -0.70 0.13 -0.36 6.68 -4.36 -0.35 -1.77 121.20 120.47 1xr1 s ILE 185 Ca 0.43 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.75 1xr1 s ILE 185 Cb -0.25 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 40.99 1xr1 s ILE 185 CO 0.31 0.00 0.28 -0.67 0.24 0.00 0.00 174.94 175.10 1xr1 n ASP 186 N -1.23 -8.00 -1.50 4.36 2.03 -1.26 -4.81 116.55 106.13 1xr1 n ASP 186 Ca 0.04 1.01 0.07 0.00 0.52 0.00 0.00 54.79 56.43 1xr1 n ASP 186 Cb 0.64 -5.35 0.32 0.00 -0.72 0.00 0.00 41.12 36.01 1xr1 n ASP 186 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1xr1 n PHE 187 N 0.24 1.46 0.09 -0.67 3.01 -1.26 -4.53 117.46 115.80 1xr1 n PHE 187 Ca 0.06 -0.54 0.01 0.00 1.01 0.00 0.00 57.45 57.98 1xr1 n PHE 187 Cb 0.22 -0.31 0.05 0.00 -0.01 0.00 0.00 39.48 39.43 1xr1 n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xr1 n GLY 188 N 0.82 -0.43 0.00 1.37 0.00 -1.26 -0.29 105.19 105.41 1xr1 n GLY 188 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1xr1 n GLY 188 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xr1 n SER 189 N -1.36 1.02 -3.20 1.61 7.64 -1.26 -4.94 113.62 113.12 1xr1 n SER 189 Ca 0.01 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1xr1 n SER 189 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1xr1 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xr1 n GLY 190 N -0.13 -3.09 0.00 0.23 0.00 0.61 -4.63 105.19 98.18 1xr1 n GLY 190 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1xr1 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr1 n ALA 191 N -2.68 0.00 -1.80 4.61 0.00 -0.26 -4.95 120.51 115.43 1xr1 n ALA 191 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1xr1 n ALA 191 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1xr1 n ALA 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xr1 s LEU 192 N 0.00 4.37 -0.11 0.00 1.02 -1.26 -0.13 118.68 122.57 1xr1 s LEU 192 Ca 0.00 2.84 -0.30 0.00 0.02 0.00 0.00 54.13 56.69 1xr1 s LEU 192 Cb 0.00 -3.64 -0.03 0.00 0.02 0.00 0.00 46.19 42.54 1xr1 s LEU 192 CO 0.00 -0.75 1.29 -0.22 0.02 0.00 0.00 176.35 176.69 1xr1 s LEU 193 N -1.20 4.23 0.24 1.79 2.96 0.32 -4.68 118.68 122.34 1xr1 s LEU 193 Ca 0.56 1.81 0.09 0.00 -0.22 0.00 0.00 54.13 56.37 1xr1 s LEU 193 Cb -0.44 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.66 1xr1 s LEU 193 CO 0.52 -0.72 -0.16 -1.59 -1.32 0.00 0.00 176.35 173.09 1xr1 s LYS 194 N 3.05 1.48 0.00 1.98 -2.85 -1.26 -4.89 119.74 117.25 1xr1 s LYS 194 Ca 0.57 -1.68 0.24 0.00 -1.00 0.00 0.00 55.97 54.11 1xr1 s LYS 194 Cb -0.24 -1.36 0.30 0.00 -2.06 0.00 0.00 37.83 34.47 1xr1 s LYS 194 CO 0.19 0.22 1.29 -0.25 0.10 0.00 0.00 175.35 176.91 1xr1 n ASP 195 N -0.49 1.98 -4.99 0.03 8.00 -1.26 -4.66 116.55 115.16 1xr1 n ASP 195 Ca -0.07 -1.49 -0.19 0.00 0.71 0.00 0.00 54.79 53.75 1xr1 n ASP 195 Cb 0.61 0.26 0.01 0.00 -0.02 0.00 0.00 41.12 41.97 1xr1 n ASP 195 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xr1 s THR 196 N -2.33 3.54 0.97 -3.53 -4.23 -1.26 -5.01 115.64 103.80 1xr1 s THR 196 Ca 0.24 -0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 59.74 1xr1 s THR 196 Cb 0.19 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.89 1xr1 s THR 196 CO 0.48 -0.11 0.64 1.33 -0.54 0.00 0.00 174.62 176.42 1xr1 n VAL 197 N -1.86 0.00 -5.06 2.29 0.24 -1.26 -4.75 118.33 107.92 1xr1 n VAL 197 Ca 0.04 -0.16 -0.32 0.00 -2.04 0.00 0.00 64.34 61.86 1xr1 n VAL 197 Cb 0.59 -0.76 -0.17 0.00 -1.47 0.00 0.00 33.84 32.02 1xr1 n VAL 197 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1xr1 s TYR 198 N -2.46 2.50 -1.31 6.34 2.02 0.06 -4.97 117.35 119.53 1xr1 s TYR 198 Ca 0.61 -1.07 0.11 0.00 -0.37 0.00 0.00 57.07 56.35 1xr1 s TYR 198 Cb -0.21 -1.68 0.15 0.00 -0.40 0.00 0.00 41.96 39.82 1xr1 s TYR 198 CO 0.64 -0.45 0.97 0.25 -1.57 0.00 0.00 175.55 175.39 1xr1 n THR 199 N 3.66 0.26 -4.27 -0.71 -2.24 -1.26 -2.00 114.28 107.72 1xr1 n THR 199 Ca -0.19 -0.63 -0.22 0.00 -2.27 0.00 0.00 64.05 60.73 1xr1 n THR 199 Cb 0.53 1.04 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 1xr1 n THR 199 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1xr1 s ASP 200 N -0.97 2.39 -0.28 3.42 -4.77 -1.26 -4.84 116.67 110.36 1xr1 s ASP 200 Ca 0.16 -0.72 -0.04 0.00 -3.30 0.00 0.00 52.55 48.66 1xr1 s ASP 200 Cb 0.10 -0.12 0.16 0.00 -1.09 0.00 0.00 42.92 41.97 1xr1 s ASP 200 CO 0.15 0.01 0.56 0.12 0.70 0.00 0.00 175.17 176.71 1xr1 s PHE 201 N -1.41 -1.37 -0.39 2.11 5.36 -1.26 -5.02 117.98 116.00 1xr1 s PHE 201 Ca 0.07 1.71 0.05 0.00 -0.96 0.00 0.00 56.93 57.81 1xr1 s PHE 201 Cb -0.09 0.52 0.44 0.00 -0.34 0.00 0.00 43.02 43.55 1xr1 s PHE 201 CO 0.04 -0.78 1.19 -3.47 -1.46 0.00 0.00 175.22 170.74 1xr1 n ASP 202 N 5.42 4.94 -2.33 6.13 4.64 -1.26 -5.03 116.55 129.06 1xr1 n ASP 202 Ca -0.04 -3.74 -0.03 0.00 -1.38 0.00 0.00 54.79 49.59 1xr1 n ASP 202 Cb 0.50 -0.44 -0.00 0.00 -1.04 0.00 0.00 41.12 40.14 1xr1 n ASP 202 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xr1 n GLY 203 N -0.59 3.49 3.62 0.27 0.00 -1.26 -4.84 105.19 105.88 1xr1 n GLY 203 Ca 0.42 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1xr1 n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xr1 s THR 204 N -0.70 3.28 0.04 2.61 2.01 -1.26 -4.91 115.64 116.70 1xr1 s THR 204 Ca 0.02 0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 1xr1 s THR 204 Cb -0.00 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1xr1 s THR 204 CO 0.01 -0.16 1.13 -0.09 -0.69 0.00 0.00 174.62 174.83 1xr1 h ARG 205 N 12.77 -0.05 0.00 4.92 9.65 -1.97 -1.06 114.38 138.65 1xr1 h ARG 205 Ca -0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1xr1 h ARG 205 Cb 1.20 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1xr1 h ARG 205 CO 0.98 -0.03 0.33 1.33 2.80 0.00 0.00 179.97 185.38 1xr1 n VAL 206 N -3.46 0.72 0.78 0.20 0.24 -1.26 0.11 118.33 115.66 1xr1 n VAL 206 Ca -0.00 0.61 0.08 0.00 -2.04 0.00 0.00 64.34 62.99 1xr1 n VAL 206 Cb 0.07 -1.61 -0.07 0.00 -1.47 0.00 0.00 33.84 30.76 1xr1 n VAL 206 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1xr1 n TYR 207 N -1.57 0.00 -2.37 6.34 4.02 -0.42 -4.83 117.16 118.33 1xr1 n TYR 207 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1xr1 n TYR 207 Cb 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.64 1xr1 n TYR 207 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1xr1 s SER 208 N -2.44 6.02 0.74 7.72 1.04 0.29 -4.16 113.70 122.92 1xr1 s SER 208 Ca 0.08 2.10 -0.12 0.00 0.48 0.00 0.00 55.95 58.50 1xr1 s SER 208 Cb 0.13 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.71 1xr1 s SER 208 CO 0.62 -1.01 1.12 -2.16 0.98 0.00 0.00 173.24 172.79 1xr1 s PRO 209 N -3.16 2.53 0.53 4.02 0.04 -1.26 -4.92 135.00 132.78 1xr1 s PRO 209 Ca 0.69 0.40 0.23 0.00 0.04 0.00 0.00 61.00 62.36 1xr1 s PRO 209 Cb -0.22 -1.99 1.46 0.00 0.04 0.00 0.00 34.50 33.80 1xr1 s PRO 209 CO 0.25 -1.25 2.15 -1.00 0.04 0.00 0.00 177.00 177.19 1xr1 h PRO 210 N -0.81 0.00 -0.28 0.56 0.13 -1.87 -2.49 132.00 127.24 1xr1 h PRO 210 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xr1 h PRO 210 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1xr1 h PRO 210 CO 0.64 0.05 0.17 0.93 -0.23 0.00 0.00 178.00 179.55 1xr1 h GLU 211 N 0.00 0.39 0.53 0.86 3.07 -1.86 0.06 114.58 117.62 1xr1 h GLU 211 Ca -0.00 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1xr1 h GLU 211 Cb 0.11 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1xr1 h GLU 211 CO 0.01 0.31 -0.25 2.35 -1.40 0.00 0.00 179.01 180.03 1xr1 h TRP 212 N 0.35 -0.65 -0.86 4.33 2.91 -1.49 0.28 115.95 120.82 1xr1 h TRP 212 Ca 0.10 -0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.24 1xr1 h TRP 212 Cb 0.03 0.22 -0.09 0.00 -0.51 0.00 0.00 29.16 28.81 1xr1 h TRP 212 CO -0.04 -0.35 0.47 0.82 -1.03 0.00 0.00 178.44 178.31 1xr1 h ILE 213 N -0.86 0.79 0.00 2.65 1.08 -1.44 1.10 117.51 120.82 1xr1 h ILE 213 Ca -0.07 -0.24 -0.24 0.00 -0.39 0.00 0.00 64.86 63.92 1xr1 h ILE 213 Cb 0.60 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 1xr1 h ILE 213 CO 0.12 0.13 -1.40 0.03 -0.69 0.00 0.00 178.15 176.34 1xr1 h ARG 214 N 0.70 0.00 0.00 2.37 3.08 -0.95 -3.42 114.38 116.16 1xr1 h ARG 214 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1xr1 h ARG 214 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1xr1 h ARG 214 CO -0.33 0.62 0.00 0.66 -1.07 0.00 0.00 179.97 179.85 1xr1 n TYR 215 N -3.13 0.00 -2.20 3.04 4.01 0.97 -5.02 117.16 114.83 1xr1 n TYR 215 Ca -0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.48 1xr1 n TYR 215 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.99 1xr1 n TYR 215 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1xr1 n HIS 216 N -0.22 -0.66 -3.82 -0.72 8.25 0.38 -4.96 115.22 113.47 1xr1 n HIS 216 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1xr1 n HIS 216 Cb 0.06 -3.19 -0.12 0.00 1.12 0.00 0.00 29.99 27.86 1xr1 n HIS 216 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1xr1 s ARG 217 N -4.61 0.25 0.30 -0.41 1.70 -1.25 -4.43 118.95 110.50 1xr1 s ARG 217 Ca 0.00 0.16 -0.18 0.00 -0.47 0.00 0.00 55.73 55.24 1xr1 s ARG 217 Cb 0.00 0.12 0.02 0.00 -0.57 0.00 0.00 34.95 34.52 1xr1 s ARG 217 CO 0.00 -0.04 0.68 1.52 -1.08 0.00 0.00 175.30 176.39 1xr1 s TYR 218 N -0.11 0.02 -0.09 5.89 -0.85 -0.84 -3.51 117.35 117.85 1xr1 s TYR 218 Ca -0.02 -0.50 0.03 0.00 -0.52 0.00 0.00 57.07 56.06 1xr1 s TYR 218 Cb -0.02 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 1xr1 s TYR 218 CO 0.00 -1.27 -0.20 -1.01 -1.52 0.00 0.00 175.55 171.56 1xr1 s HIS 219 N -3.55 2.61 0.02 -3.49 3.76 -1.26 -0.76 115.29 112.61 1xr1 s HIS 219 Ca 0.15 -0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 54.27 1xr1 s HIS 219 Cb -0.05 -1.71 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 1xr1 s HIS 219 CO 0.09 -0.24 0.84 0.41 -0.85 0.00 0.00 174.74 174.98 1xr1 n GLY 220 N 3.24 -2.39 0.35 -2.22 0.00 -1.26 -1.10 105.19 101.81 1xr1 n GLY 220 Ca -0.18 0.53 0.01 0.00 0.00 0.00 0.00 46.02 46.38 1xr1 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xr1 h ARG 221 N 0.00 1.06 0.00 1.61 3.08 -1.97 0.50 114.38 118.66 1xr1 h ARG 221 Ca 0.02 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1xr1 h ARG 221 Cb 0.05 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1xr1 h ARG 221 CO -0.10 0.70 -0.80 0.66 -1.07 0.00 0.00 179.97 179.36 1xr1 h SER 222 N 1.09 0.00 -0.15 7.04 4.64 -1.86 -2.06 113.55 122.25 1xr1 h SER 222 Ca 0.40 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.64 1xr1 h SER 222 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1xr1 h SER 222 CO -0.17 0.80 -0.23 0.00 -0.87 0.00 0.00 176.83 176.36 1xr1 h ALA 223 N 1.20 0.23 -0.85 5.18 0.00 -0.74 -2.58 119.26 121.70 1xr1 h ALA 223 Ca -0.01 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.64 1xr1 h ALA 223 Cb 1.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 1xr1 h ALA 223 CO 0.10 0.20 0.55 0.00 0.00 0.00 0.00 179.25 180.10 1xr1 h ALA 224 N 0.58 1.77 -0.19 0.00 0.00 -0.84 0.16 119.26 120.73 1xr1 h ALA 224 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1xr1 h ALA 224 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xr1 h ALA 224 CO 0.05 0.03 -0.28 0.28 0.00 0.00 0.00 179.25 179.34 1xr1 h VAL 225 N 0.74 1.26 -0.41 0.00 2.07 -1.21 -1.14 116.25 117.57 1xr1 h VAL 225 Ca 0.41 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 1xr1 h VAL 225 Cb 0.56 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1xr1 h VAL 225 CO -0.17 0.39 -0.11 -0.25 0.02 0.00 0.00 177.57 177.45 1xr1 h TRP 226 N 0.32 0.89 -0.48 1.57 2.91 -0.32 -0.84 115.95 120.00 1xr1 h TRP 226 Ca 0.05 -0.19 -0.08 0.00 1.13 0.00 0.00 58.89 59.80 1xr1 h TRP 226 Cb 0.66 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 1xr1 h TRP 226 CO 0.02 0.92 -0.01 0.66 -1.03 0.00 0.00 178.44 178.99 1xr1 h SER 227 N 0.60 0.77 -0.28 2.65 4.64 -1.07 -1.36 113.55 119.50 1xr1 h SER 227 Ca 0.10 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1xr1 h SER 227 Cb 0.63 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1xr1 h SER 227 CO 0.04 0.85 0.18 -0.07 -0.87 0.00 0.00 176.83 176.96 1xr1 h LEU 228 N 0.75 0.34 -0.35 5.97 4.07 -0.72 -0.45 115.31 124.91 1xr1 h LEU 228 Ca 0.14 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.97 1xr1 h LEU 228 Cb 0.47 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1xr1 h LEU 228 CO 0.02 0.26 -0.25 1.23 -1.08 0.00 0.00 178.44 178.62 1xr1 h GLY 229 N 0.42 0.86 0.96 0.83 0.00 -0.08 -1.39 103.07 104.67 1xr1 h GLY 229 Ca 0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 1xr1 h GLY 229 CO -0.02 0.74 -0.25 -2.22 0.00 0.00 0.00 176.54 174.80 1xr1 h ILE 230 N 0.58 0.49 -0.54 2.60 1.08 -0.70 -2.60 117.51 118.42 1xr1 h ILE 230 Ca 0.07 -0.09 0.10 0.00 -0.39 0.00 0.00 64.86 64.55 1xr1 h ILE 230 Cb 0.81 0.53 -0.11 0.00 -3.07 0.00 0.00 36.82 34.98 1xr1 h ILE 230 CO 0.07 0.02 -0.31 0.25 -0.69 0.00 0.00 178.15 177.49 1xr1 h LEU 231 N -0.75 -1.05 -0.13 1.44 5.85 -1.07 0.18 115.31 119.77 1xr1 h LEU 231 Ca -0.07 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1xr1 h LEU 231 Cb 0.56 0.53 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1xr1 h LEU 231 CO 0.12 -0.30 -0.25 0.25 -0.34 0.00 0.00 178.44 177.92 1xr1 h LEU 232 N -0.17 -0.79 -0.35 2.25 6.46 -1.20 0.20 115.31 121.72 1xr1 h LEU 232 Ca 0.22 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 58.18 1xr1 h LEU 232 Cb 0.54 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 40.75 1xr1 h LEU 232 CO -0.63 -0.30 -0.09 0.22 -0.62 0.00 0.00 178.44 177.01 1xr1 h TYR 233 N -0.32 -0.20 -0.67 1.25 5.03 -0.92 0.11 116.97 121.26 1xr1 h TYR 233 Ca 0.10 0.03 0.16 0.00 2.58 0.00 0.00 58.73 61.60 1xr1 h TYR 233 Cb 0.47 0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 1xr1 h TYR 233 CO -0.35 -0.15 0.46 0.22 -1.32 0.00 0.00 178.16 177.01 1xr1 h ASP 234 N -0.01 0.17 -0.04 -2.11 -0.00 0.47 0.16 116.42 115.07 1xr1 h ASP 234 Ca 0.17 0.01 -0.13 0.00 -0.00 0.00 0.00 57.03 57.08 1xr1 h ASP 234 Cb 0.26 -0.02 0.01 0.00 -0.00 0.00 0.00 39.33 39.57 1xr1 h ASP 234 CO -0.36 0.09 -0.49 0.24 -0.00 0.00 0.00 179.24 178.72 1xr1 h MET 235 N 0.18 0.39 0.00 0.28 2.86 0.12 -1.51 114.93 117.26 1xr1 h MET 235 Ca 0.32 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1xr1 h MET 235 Cb 1.01 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1xr1 h MET 235 CO -0.06 1.03 -0.41 1.33 1.06 0.00 0.00 176.91 179.87 1xr1 n VAL 236 N -4.29 0.26 0.22 -2.22 0.24 -0.74 -0.49 118.33 111.29 1xr1 n VAL 236 Ca -0.09 -0.17 0.04 0.00 -2.04 0.00 0.00 64.34 62.08 1xr1 n VAL 236 Cb 0.60 -0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.76 1xr1 n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xr1 n GLY 238 N 1.55 1.21 3.61 0.00 0.00 -0.57 -4.54 105.19 106.45 1xr1 n GLY 238 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1xr1 n GLY 238 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xr1 s ASP 239 N -3.12 -0.26 0.37 1.61 -1.08 -1.20 -4.78 116.67 108.21 1xr1 s ASP 239 Ca 0.00 -0.54 -0.26 0.00 -0.52 0.00 0.00 52.55 51.22 1xr1 s ASP 239 Cb 0.00 0.62 -0.09 0.00 -1.46 0.00 0.00 42.92 41.99 1xr1 s ASP 239 CO 0.00 -1.13 1.18 -0.63 0.52 0.00 0.00 175.17 175.10 1xr1 s ILE 240 N -3.90 3.14 0.10 4.11 -1.09 -1.26 -3.54 121.20 118.76 1xr1 s ILE 240 Ca 0.11 1.01 -0.14 0.00 -2.23 0.00 0.00 60.65 59.40 1xr1 s ILE 240 Cb -0.02 -3.59 -0.14 0.00 -1.58 0.00 0.00 42.46 37.14 1xr1 s ILE 240 CO 0.01 0.13 1.33 1.55 -1.23 0.00 0.00 174.94 176.73 1xr1 h PRO 241 N 2.89 0.76 -6.47 2.79 0.13 -1.93 -3.46 132.00 126.71 1xr1 h PRO 241 Ca -0.48 -0.56 -0.64 0.00 -0.87 0.00 0.00 66.00 63.45 1xr1 h PRO 241 Cb 1.23 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 1xr1 h PRO 241 CO 0.63 1.17 -0.71 -0.06 -0.23 0.00 0.00 178.00 178.81 1xr1 s PHE 242 N -3.90 2.76 0.00 1.56 0.08 -1.26 -4.94 117.98 112.28 1xr1 s PHE 242 Ca -0.11 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1xr1 s PHE 242 Cb 0.08 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 1xr1 s PHE 242 CO 0.88 0.47 0.00 -1.91 -0.10 0.00 0.00 175.22 174.56 1xr1 n GLU 243 N 0.36 1.89 -4.97 0.44 2.13 -1.26 -4.94 120.64 114.28 1xr1 n GLU 243 Ca -0.12 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.41 1xr1 n GLU 243 Cb 0.54 -0.69 -0.15 0.00 0.27 0.00 0.00 31.44 31.41 1xr1 n GLU 243 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1xr1 s HIS 244 N -1.26 2.18 0.38 4.31 3.76 -1.26 -4.95 115.29 118.44 1xr1 s HIS 244 Ca 0.00 -0.40 0.22 0.00 -0.15 0.00 0.00 55.06 54.72 1xr1 s HIS 244 Cb 0.00 -1.34 1.34 0.00 1.11 0.00 0.00 32.58 33.69 1xr1 s HIS 244 CO 0.00 0.06 1.59 -0.44 -0.85 0.00 0.00 174.74 175.10 1xr1 h ASP 245 N 5.07 0.33 -0.40 1.40 3.32 -1.99 0.55 116.42 124.71 1xr1 h ASP 245 Ca -0.44 0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1xr1 h ASP 245 Cb 1.14 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 1xr1 h ASP 245 CO 0.45 -0.38 0.24 1.05 -1.72 0.00 0.00 179.24 178.88 1xr1 h GLU 246 N 0.04 0.47 -0.58 3.56 9.09 -1.98 0.17 114.58 125.36 1xr1 h GLU 246 Ca 0.84 -0.03 -0.06 0.00 0.05 0.00 0.00 59.36 60.16 1xr1 h GLU 246 Cb 2.26 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 29.23 1xr1 h GLU 246 CO -0.71 0.31 0.11 0.93 0.05 0.00 0.00 179.01 179.70 1xr1 h GLU 247 N 0.49 0.94 -0.80 1.06 5.08 -0.32 0.59 114.58 121.62 1xr1 h GLU 247 Ca 0.16 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xr1 h GLU 247 Cb -0.00 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1xr1 h GLU 247 CO -0.07 0.89 0.47 0.82 -1.00 0.00 0.00 179.01 180.12 1xr1 h ILE 248 N 0.84 1.23 -0.06 3.13 2.04 -0.91 0.14 117.51 123.92 1xr1 h ILE 248 Ca 0.18 -0.52 -0.16 0.00 1.00 0.00 0.00 64.86 65.35 1xr1 h ILE 248 Cb 0.40 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1xr1 h ILE 248 CO 0.01 0.24 -0.68 0.40 0.00 0.00 0.00 178.15 178.12 1xr1 h ILE 249 N 1.10 1.40 -0.06 -0.67 2.04 -0.38 -3.12 117.51 117.82 1xr1 h ILE 249 Ca 0.28 -2.13 -0.21 0.00 1.00 0.00 0.00 64.86 63.80 1xr1 h ILE 249 Cb -0.02 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1xr1 h ILE 249 CO -0.05 0.63 -0.83 -0.09 0.00 0.00 0.00 178.15 177.81 1xr1 h ARG 250 N 0.19 0.49 -0.34 2.37 2.43 -0.55 -3.48 114.38 115.49 1xr1 h ARG 250 Ca -0.02 -0.45 -0.15 0.00 -0.81 0.00 0.00 59.98 58.56 1xr1 h ARG 250 Cb 1.22 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1xr1 h ARG 250 CO 0.11 1.09 -0.13 0.41 -1.51 0.00 0.00 179.97 179.93 1xr1 n GLY 251 N 0.74 0.86 3.73 2.80 0.00 0.46 -4.99 105.19 108.79 1xr1 n GLY 251 Ca -0.06 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1xr1 n GLY 251 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xr1 s GLN 252 N -2.25 4.67 -0.22 1.61 -1.52 -1.26 -4.97 119.66 115.72 1xr1 s GLN 252 Ca 0.00 1.49 -0.02 0.00 -1.95 0.00 0.00 55.36 54.88 1xr1 s GLN 252 Cb 0.00 -3.37 0.01 0.00 -0.22 0.00 0.00 33.01 29.43 1xr1 s GLN 252 CO 0.00 0.16 -0.10 0.08 -0.25 0.00 0.00 175.29 175.18 1xr1 s VAL 253 N 0.09 2.78 -0.13 1.09 1.01 -1.26 -5.00 120.40 118.98 1xr1 s VAL 253 Ca 0.48 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1xr1 s VAL 253 Cb -0.24 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1xr1 s VAL 253 CO 0.30 0.39 -0.02 0.12 0.00 0.00 0.00 175.10 175.89 1xr1 s PHE 254 N 1.37 3.07 -0.27 5.22 5.36 -1.26 -5.09 117.98 126.38 1xr1 s PHE 254 Ca 0.04 -0.09 -0.12 0.00 -0.96 0.00 0.00 56.93 55.80 1xr1 s PHE 254 Cb -0.15 -1.89 -0.05 0.00 -0.34 0.00 0.00 43.02 40.60 1xr1 s PHE 254 CO -0.07 0.17 0.25 -0.06 -1.46 0.00 0.00 175.22 174.05 1xr1 s PHE 255 N -0.14 3.25 -1.54 10.12 0.08 -1.26 -4.93 117.98 123.57 1xr1 s PHE 255 Ca 0.03 0.25 0.27 0.00 0.12 0.00 0.00 56.93 57.61 1xr1 s PHE 255 Cb -0.13 -2.43 0.91 0.00 -0.57 0.00 0.00 43.02 40.81 1xr1 s PHE 255 CO 0.02 -0.13 1.67 2.89 -0.10 0.00 0.00 175.22 179.57 1xr1 n ARG 256 N 4.98 0.59 -4.09 0.44 1.85 -1.26 -4.89 116.66 114.27 1xr1 n ARG 256 Ca -0.12 -0.28 -0.11 0.00 -1.00 0.00 0.00 57.85 56.34 1xr1 n ARG 256 Cb 0.52 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.33 1xr1 n ARG 256 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1xr1 s GLN 257 N -2.61 0.61 -0.10 2.89 -1.52 -1.26 -5.10 119.66 112.57 1xr1 s GLN 257 Ca 0.23 -1.01 -0.29 0.00 -1.95 0.00 0.00 55.36 52.34 1xr1 s GLN 257 Cb 0.19 -0.12 -0.06 0.00 -0.22 0.00 0.00 33.01 32.81 1xr1 s GLN 257 CO 0.53 -0.01 1.84 0.50 -0.25 0.00 0.00 175.29 177.90 1xr1 s ARG 258 N -2.72 3.87 -0.03 2.91 6.06 -1.26 -4.96 118.95 122.82 1xr1 s ARG 258 Ca -0.01 2.13 0.02 0.00 -2.50 0.00 0.00 55.73 55.38 1xr1 s ARG 258 Cb -0.02 -4.12 0.01 0.00 0.06 0.00 0.00 34.95 30.88 1xr1 s ARG 258 CO -0.03 -1.24 -0.07 0.08 -2.50 0.00 0.00 175.30 171.54 1xr1 s VAL 259 N 5.27 0.65 0.81 7.11 1.01 -1.26 -5.06 120.40 128.93 1xr1 s VAL 259 Ca 0.82 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 1xr1 s VAL 259 Cb -0.34 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.49 1xr1 s VAL 259 CO 0.34 0.22 0.95 -1.54 0.00 0.00 0.00 175.10 175.07 1xr1 n SER 260 N 3.51 0.13 -0.33 3.32 3.41 -1.26 -4.74 113.62 117.66 1xr1 n SER 260 Ca -0.20 0.55 -0.03 0.00 -0.26 0.00 0.00 58.87 58.93 1xr1 n SER 260 Cb 0.54 -1.41 0.09 0.00 -0.26 0.00 0.00 64.21 63.17 1xr1 n SER 260 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xr1 h SER 261 N -0.90 1.03 0.39 4.04 0.02 -2.00 -1.17 113.55 114.95 1xr1 h SER 261 Ca -0.46 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1xr1 h SER 261 Cb 1.31 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1xr1 h SER 261 CO 0.43 0.75 -0.25 -0.33 -1.14 0.00 0.00 176.83 176.30 1xr1 h GLU 262 N 1.20 -0.59 -0.79 3.45 4.39 -1.99 0.27 114.58 120.51 1xr1 h GLU 262 Ca 0.32 0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.08 1xr1 h GLU 262 Cb -0.12 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1xr1 h GLU 262 CO -0.07 -0.40 0.52 0.00 -1.16 0.00 0.00 179.01 177.91 1xr1 h GLN 264 N 1.04 1.06 -0.55 0.00 4.20 -0.85 -1.86 115.11 118.16 1xr1 h GLN 264 Ca 0.30 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1xr1 h GLN 264 Cb -0.07 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1xr1 h GLN 264 CO -0.07 0.92 0.19 1.25 -0.67 0.00 0.00 178.83 180.45 1xr1 h HIS 265 N 1.00 0.87 -0.84 2.96 2.76 0.05 -0.84 115.15 121.11 1xr1 h HIS 265 Ca 0.22 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1xr1 h HIS 265 Cb 0.31 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 1xr1 h HIS 265 CO 0.02 0.73 0.39 1.25 -1.30 0.00 0.00 177.93 179.02 1xr1 h LEU 266 N 0.76 1.11 -0.27 0.26 6.46 -1.00 -1.34 115.31 121.30 1xr1 h LEU 266 Ca 0.18 -0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1xr1 h LEU 266 Cb 0.26 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1xr1 h LEU 266 CO -0.01 0.95 -0.04 0.40 -0.62 0.00 0.00 178.44 179.12 1xr1 h ILE 267 N 1.20 1.27 -0.65 4.05 2.04 -0.99 -1.26 117.51 123.18 1xr1 h ILE 267 Ca 0.29 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 1xr1 h ILE 267 Cb 0.14 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1xr1 h ILE 267 CO -0.03 0.32 0.20 0.03 0.00 0.00 0.00 178.15 178.67 1xr1 h ARG 268 N 0.27 0.99 -0.30 2.37 2.47 -1.06 -1.86 114.38 117.25 1xr1 h ARG 268 Ca 0.07 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1xr1 h ARG 268 Cb 0.49 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1xr1 h ARG 268 CO 0.02 0.85 0.20 2.35 0.56 0.00 0.00 179.97 183.95 1xr1 h TRP 269 N 0.96 0.39 0.00 3.04 7.01 -1.00 -1.78 115.95 124.56 1xr1 h TRP 269 Ca 0.21 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 1xr1 h TRP 269 Cb 0.28 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1xr1 h TRP 269 CO 0.02 0.26 -0.07 0.00 -2.79 0.00 0.00 178.44 175.85 1xr1 n LEU 271 N -3.25 5.97 -4.75 0.00 4.32 -0.72 -3.98 117.00 114.59 1xr1 n LEU 271 Ca -0.00 -3.19 -0.41 0.00 -0.02 0.00 0.00 56.01 52.39 1xr1 n LEU 271 Cb 0.30 -0.73 -0.02 0.00 -1.62 0.00 0.00 43.42 41.35 1xr1 n LEU 271 CO 0.28 0.79 1.07 0.00 -1.22 0.00 0.00 177.39 178.31 1xr1 s ALA 272 N -2.97 3.58 0.08 -1.18 0.00 -0.91 -4.92 121.76 115.45 1xr1 s ALA 272 Ca 0.55 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 1xr1 s ALA 272 Cb 0.44 -3.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.87 1xr1 s ALA 272 CO 0.14 -0.72 1.65 -0.07 0.00 0.00 0.00 175.76 176.76 1xr1 h LEU 273 N 4.53 -0.60 -8.82 0.00 3.38 -1.93 -3.40 115.31 108.48 1xr1 h LEU 273 Ca -0.47 0.04 -0.57 0.00 0.09 0.00 0.00 57.88 56.97 1xr1 h LEU 273 Cb 1.22 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1xr1 h LEU 273 CO 0.74 -0.38 1.09 -0.60 0.09 0.00 0.00 178.44 179.37 1xr1 s ARG 274 N -6.09 3.59 0.32 1.13 3.52 -1.26 -4.76 118.95 115.40 1xr1 s ARG 274 Ca -0.16 1.05 0.06 0.00 -0.13 0.00 0.00 55.73 56.55 1xr1 s ARG 274 Cb 0.05 -4.03 0.89 0.00 -1.56 0.00 0.00 34.95 30.30 1xr1 s ARG 274 CO 0.64 -1.54 1.57 -1.35 -0.81 0.00 0.00 175.30 173.81 1xr1 h PRO 275 N 10.79 0.01 0.00 5.12 0.11 -1.96 0.53 132.00 146.60 1xr1 h PRO 275 Ca -0.28 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xr1 h PRO 275 Cb 1.11 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xr1 h PRO 275 CO 1.07 0.01 -0.01 0.66 -0.21 0.00 0.00 178.00 179.52 1xr1 h SER 276 N 0.01 0.00 0.43 -2.05 4.64 -1.94 -1.30 113.55 113.33 1xr1 h SER 276 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1xr1 h SER 276 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1xr1 h SER 276 CO -0.89 0.01 -0.20 0.47 -0.87 0.00 0.00 176.83 175.36 1xr1 n ASP 277 N -3.57 0.54 -4.79 4.97 8.00 0.19 -4.88 116.55 117.01 1xr1 n ASP 277 Ca -0.03 -0.47 -0.36 0.00 0.71 0.00 0.00 54.79 54.64 1xr1 n ASP 277 Cb 0.10 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 1xr1 n ASP 277 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xr1 s ARG 278 N -2.63 4.21 0.54 -1.24 0.52 -0.49 -4.87 118.95 114.99 1xr1 s ARG 278 Ca 0.23 1.45 -0.19 0.00 -0.52 0.00 0.00 55.73 56.70 1xr1 s ARG 278 Cb 0.19 -2.53 -0.06 0.00 0.52 0.00 0.00 34.95 33.08 1xr1 s ARG 278 CO 0.53 -0.09 1.12 -1.25 0.02 0.00 0.00 175.30 175.63 1xr1 s PRO 279 N -2.52 3.36 0.66 3.54 0.04 -1.26 -5.02 135.00 133.80 1xr1 s PRO 279 Ca 0.58 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 1xr1 s PRO 279 Cb -0.20 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 1xr1 s PRO 279 CO 0.26 -0.84 1.06 0.95 0.04 0.00 0.00 177.00 178.47 1xr1 s THR 280 N -1.81 4.15 0.40 1.26 -4.23 -1.26 -4.81 115.64 109.33 1xr1 s THR 280 Ca 0.72 0.70 0.11 0.00 -1.18 0.00 0.00 61.69 62.04 1xr1 s THR 280 Cb -0.23 -3.66 0.32 0.00 1.34 0.00 0.00 72.50 70.27 1xr1 s THR 280 CO 0.27 -0.91 1.94 -0.26 -0.54 0.00 0.00 174.62 175.12 1xr1 h PHE 281 N -0.50 0.61 -0.56 3.99 0.04 -1.95 0.65 116.94 119.21 1xr1 h PHE 281 Ca -0.44 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.24 1xr1 h PHE 281 Cb 1.22 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 1xr1 h PHE 281 CO 0.59 0.28 -0.05 1.49 -0.60 0.00 0.00 178.31 180.02 1xr1 h GLU 282 N 0.56 1.03 -0.29 1.51 4.81 -1.98 -2.10 114.58 118.11 1xr1 h GLU 282 Ca 0.34 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1xr1 h GLU 282 Cb 0.55 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1xr1 h GLU 282 CO -0.11 1.04 -0.25 0.93 -0.73 0.00 0.00 179.01 179.89 1xr1 h GLU 283 N 0.91 0.57 0.27 1.92 5.08 -1.39 -1.86 114.58 120.07 1xr1 h GLU 283 Ca 0.15 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1xr1 h GLU 283 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xr1 h GLU 283 CO 0.04 0.77 -0.13 0.82 -1.00 0.00 0.00 179.01 179.51 1xr1 h ILE 284 N 0.50 0.77 0.00 3.13 2.04 -0.75 -0.64 117.51 122.56 1xr1 h ILE 284 Ca 0.07 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1xr1 h ILE 284 Cb 0.70 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1xr1 h ILE 284 CO 0.05 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1xr1 n GLN 285 N -5.20 0.11 -0.00 2.37 6.02 -0.81 -1.82 117.38 118.06 1xr1 n GLN 285 Ca -0.10 0.17 0.10 0.00 -0.01 0.00 0.00 57.00 57.16 1xr1 n GLN 285 Cb 0.20 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.83 1xr1 n GLN 285 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xr1 n ASN 286 N -1.40 0.71 -4.67 1.08 3.02 -0.71 -4.80 115.26 108.49 1xr1 n ASN 286 Ca 0.06 -0.59 -0.44 0.00 -0.03 0.00 0.00 54.58 53.58 1xr1 n ASN 286 Cb 0.17 1.36 -0.02 0.00 -0.61 0.00 0.00 39.78 40.68 1xr1 n ASN 286 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1xr1 n HIS 287 N -1.75 2.15 -0.30 3.10 -0.00 -0.27 -4.88 115.22 113.27 1xr1 n HIS 287 Ca 0.01 0.46 0.12 0.00 0.46 0.00 0.00 57.72 58.77 1xr1 n HIS 287 Cb 0.39 -2.44 0.29 0.00 -0.12 0.00 0.00 29.99 28.10 1xr1 n HIS 287 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1xr1 h PRO 288 N 3.83 0.35 0.00 1.57 0.13 -1.90 0.12 132.00 136.10 1xr1 h PRO 288 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xr1 h PRO 288 Cb 1.28 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xr1 h PRO 288 CO 0.73 0.23 0.00 2.35 -0.23 0.00 0.00 178.00 181.08 1xr1 h TRP 289 N 0.36 0.00 -0.01 1.56 7.01 -1.90 -2.13 115.95 120.84 1xr1 h TRP 289 Ca 0.54 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.54 1xr1 h TRP 289 Cb 1.01 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1xr1 h TRP 289 CO -0.17 0.00 -0.00 -0.12 -2.79 0.00 0.00 178.44 175.36 1xr1 n MET 290 N -3.05 1.57 -2.42 2.65 1.56 0.42 -4.95 117.12 112.90 1xr1 n MET 290 Ca -0.02 -0.83 -0.32 0.00 -0.27 0.00 0.00 57.70 56.26 1xr1 n MET 290 Cb 0.12 -1.48 -0.03 0.00 2.15 0.00 0.00 33.22 33.97 1xr1 n MET 290 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1xr1 s GLN 291 N -2.00 3.92 -1.47 2.12 -1.52 -0.80 -4.14 119.66 115.75 1xr1 s GLN 291 Ca 0.39 0.90 -0.04 0.00 -1.95 0.00 0.00 55.36 54.66 1xr1 s GLN 291 Cb 0.21 -2.16 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 1xr1 s GLN 291 CO 0.34 -0.26 0.58 -0.25 -0.25 0.00 0.00 175.29 175.45 1xr1 n ASP 292 N -1.61 -5.91 -4.66 5.90 9.92 -1.26 -4.95 116.55 113.98 1xr1 n ASP 292 Ca 0.06 -0.27 -0.38 0.00 -0.53 0.00 0.00 54.79 53.66 1xr1 n ASP 292 Cb 0.54 -4.73 0.05 0.00 -0.64 0.00 0.00 41.12 36.34 1xr1 n ASP 292 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1xr1 n VAL 293 N -4.46 3.67 -1.96 2.53 3.14 -1.26 -4.97 118.33 115.02 1xr1 n VAL 293 Ca -0.11 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.47 1xr1 n VAL 293 Cb 0.61 -1.33 0.02 0.00 -1.06 0.00 0.00 33.84 32.08 1xr1 n VAL 293 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xr1 s LEU 294 N -2.43 3.19 0.33 6.55 1.02 -1.26 -5.04 118.68 121.04 1xr1 s LEU 294 Ca 0.73 1.28 -0.10 0.00 0.02 0.00 0.00 54.13 56.07 1xr1 s LEU 294 Cb -0.43 -4.25 -0.07 0.00 0.02 0.00 0.00 46.19 41.46 1xr1 s LEU 294 CO 0.48 -0.96 0.67 -0.76 0.02 0.00 0.00 176.35 175.80 1xr1 s LEU 295 N -5.18 3.99 0.20 1.79 1.43 -1.26 -4.82 118.68 114.83 1xr1 s LEU 295 Ca 0.55 1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 54.49 1xr1 s LEU 295 Cb -0.11 -3.85 0.17 0.00 0.03 0.00 0.00 46.19 42.43 1xr1 s LEU 295 CO 0.52 -0.26 1.60 -0.65 0.23 0.00 0.00 176.35 177.80 1xr1 h PRO 296 N 1.77 -0.10 -0.76 1.29 0.11 -1.83 -0.18 132.00 132.30 1xr1 h PRO 296 Ca -0.47 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1xr1 h PRO 296 Cb 1.18 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1xr1 h PRO 296 CO 0.66 -0.07 0.41 0.37 -0.21 0.00 0.00 178.00 179.16 1xr1 h GLN 297 N -0.11 1.06 -0.26 1.05 5.75 -1.82 0.16 115.11 120.94 1xr1 h GLN 297 Ca 0.26 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1xr1 h GLN 297 Cb 0.52 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1xr1 h GLN 297 CO -0.66 0.79 0.16 0.93 -2.65 0.00 0.00 178.83 177.40 1xr1 h GLU 298 N 1.05 0.32 0.05 1.69 5.08 -1.65 0.13 114.58 121.24 1xr1 h GLU 298 Ca 0.27 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1xr1 h GLU 298 Cb 0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1xr1 h GLU 298 CO -0.04 0.21 -0.22 1.15 -1.00 0.00 0.00 179.01 179.12 1xr1 h THR 299 N 0.33 0.50 0.01 1.13 2.02 -0.55 0.54 112.91 116.89 1xr1 h THR 299 Ca 0.10 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1xr1 h THR 299 Cb -0.03 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1xr1 h THR 299 CO -0.03 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.64 1xr1 h ALA 300 N 0.47 -0.29 -0.83 6.16 0.00 -0.74 0.67 119.26 124.70 1xr1 h ALA 300 Ca 0.05 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1xr1 h ALA 300 Cb 0.42 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1xr1 h ALA 300 CO -0.17 -0.72 0.55 0.93 0.00 0.00 0.00 179.25 179.85 1xr1 h GLU 301 N -0.35 0.37 0.07 0.00 5.08 -0.23 1.15 114.58 120.67 1xr1 h GLU 301 Ca 0.06 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 58.03 1xr1 h GLU 301 Cb 0.43 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1xr1 h GLU 301 CO -0.19 0.25 -2.09 -0.89 -1.00 0.00 0.00 179.01 175.08 1xr1 n ILE 302 N -4.48 1.66 0.13 3.13 5.41 0.14 -4.31 119.36 121.03 1xr1 n ILE 302 Ca 0.17 -0.55 0.07 0.00 1.00 0.00 0.00 62.75 63.44 1xr1 n ILE 302 Cb 0.63 -1.69 -0.10 0.00 -0.71 0.00 0.00 39.64 37.78 1xr1 n ILE 302 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1xr1 n HIS 303 N -3.57 0.00 -0.03 1.39 8.25 0.23 -4.76 115.22 116.73 1xr1 n HIS 303 Ca -0.37 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.02 1xr1 n HIS 303 Cb 0.98 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.82 1xr1 n HIS 303 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1xr1 n LEU 304 N -1.84 1.07 -0.18 2.41 4.32 0.14 -4.81 117.00 118.12 1xr1 n LEU 304 Ca -0.01 0.17 -0.08 0.00 -0.02 0.00 0.00 56.01 56.06 1xr1 n LEU 304 Cb 0.33 -0.39 -0.07 0.00 -1.62 0.00 0.00 43.42 41.67 1xr1 n LEU 304 CO 0.28 -0.19 0.49 0.45 -1.22 0.00 0.00 177.39 177.20 1xr1 h HIS 305 N -0.36 -1.19 -1.85 -1.77 3.86 0.87 -3.40 115.15 111.30 1xr1 h HIS 305 Ca -0.13 0.07 -0.66 0.00 -1.16 0.00 0.00 60.37 58.49 1xr1 h HIS 305 Cb 0.78 0.58 0.07 0.00 1.06 0.00 0.00 27.41 29.90 1xr1 h HIS 305 CO -0.10 -0.29 0.39 -1.13 0.86 0.00 0.00 177.93 177.67 1xr1 n SER 306 N -4.47 1.60 -0.48 2.45 3.41 -1.26 -4.78 113.62 110.10 1xr1 n SER 306 Ca -0.01 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1xr1 n SER 306 Cb 0.20 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1xr1 n SER 306 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xr1 n LEU 307 N 2.32 0.61 -0.20 1.04 4.77 -1.26 -4.98 117.00 119.29 1xr1 n LEU 307 Ca 0.17 -0.30 0.02 0.00 -0.03 0.00 0.00 56.01 55.87 1xr1 n LEU 307 Cb 0.22 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1xr1 n LEU 307 CO 0.62 0.15 0.33 -0.24 -1.33 0.00 0.00 177.39 176.92