#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rr6 n GLY 4 N 0.00 -0.69 3.59 8.20 0.00 -1.26 -4.64 105.19 110.39 1rr6 n GLY 4 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1rr6 n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rr6 s TYR 5 N -3.00 3.23 0.86 1.61 2.02 -1.26 -5.08 117.35 115.73 1rr6 s TYR 5 Ca 0.03 0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.79 1rr6 s TYR 5 Cb 0.04 -2.48 0.12 0.00 -0.40 0.00 0.00 41.96 39.23 1rr6 s TYR 5 CO 0.10 -0.22 1.22 0.95 -1.57 0.00 0.00 175.55 176.03 1rr6 s THR 6 N 1.90 2.00 0.36 -0.71 -4.23 -1.26 -4.95 115.64 108.75 1rr6 s THR 6 Ca 0.10 -0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.70 1rr6 s THR 6 Cb -0.16 -3.00 0.13 0.00 1.34 0.00 0.00 72.50 70.81 1rr6 s THR 6 CO 0.11 0.00 1.86 0.22 -0.54 0.00 0.00 174.62 176.27 1rr6 h TYR 7 N -1.24 0.29 -0.90 3.99 3.20 -1.99 -2.68 116.97 117.64 1rr6 h TYR 7 Ca -0.46 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.37 1rr6 h TYR 7 Cb 1.30 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 1rr6 h TYR 7 CO -0.15 0.44 0.54 0.93 -1.64 0.00 0.00 178.16 178.28 1rr6 h GLU 8 N 0.25 1.22 -0.97 1.82 4.39 -1.99 -2.34 114.58 116.96 1rr6 h GLU 8 Ca 0.05 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1rr6 h GLU 8 Cb 0.47 -0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 1rr6 h GLU 8 CO 0.03 0.86 0.63 -0.44 -1.16 0.00 0.00 179.01 178.94 1rr6 h ASP 9 N 1.24 1.03 -0.24 1.42 3.32 -1.84 0.25 116.42 121.60 1rr6 h ASP 9 Ca 0.32 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 1rr6 h ASP 9 Cb -0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1rr6 h ASP 9 CO -0.06 0.68 0.05 1.88 -1.72 0.00 0.00 179.24 180.07 1rr6 h TYR 10 N 1.18 0.41 0.62 4.55 0.05 -1.46 -2.40 116.97 119.91 1rr6 h TYR 10 Ca 0.40 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 59.10 1rr6 h TYR 10 Cb 0.09 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1rr6 h TYR 10 CO -0.00 0.50 -0.43 -0.22 -1.05 0.00 0.00 178.16 176.97 1rr6 h LYS 11 N 0.20 -0.96 -0.94 4.88 1.63 -0.83 -1.26 116.57 119.29 1rr6 h LYS 11 Ca 0.07 0.07 0.20 0.00 -0.85 0.00 0.00 60.65 60.14 1rr6 h LYS 11 Cb 0.31 0.22 -0.11 0.00 -0.60 0.00 0.00 32.23 32.05 1rr6 h LYS 11 CO 0.00 -0.64 0.51 -0.91 -3.45 0.00 0.00 179.45 174.96 1rr6 h ASN 12 N -1.00 0.58 -0.44 4.20 2.35 -0.55 0.31 115.58 121.03 1rr6 h ASN 12 Ca -0.07 0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1rr6 h ASN 12 Cb 0.83 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1rr6 h ASN 12 CO 0.04 0.15 -0.11 0.74 -1.65 0.00 0.00 177.43 176.61 1rr6 h THR 13 N 0.59 1.27 0.37 2.81 2.02 -1.16 -0.89 112.91 117.94 1rr6 h THR 13 Ca 0.56 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1rr6 h THR 13 Cb 0.96 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1rr6 h THR 13 CO -0.44 0.42 -0.18 0.00 0.37 0.00 0.00 175.52 175.69 1rr6 h ALA 14 N 0.87 -0.50 -0.49 6.16 0.00 0.27 -2.31 119.26 123.25 1rr6 h ALA 14 Ca 0.11 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1rr6 h ALA 14 Cb 0.65 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1rr6 h ALA 14 CO 0.04 -0.72 0.22 0.93 0.00 0.00 0.00 179.25 179.73 1rr6 h GLU 15 N -0.63 0.43 -0.58 0.00 5.08 -0.48 0.21 114.58 118.61 1rr6 h GLU 15 Ca -0.05 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1rr6 h GLU 15 Cb 0.46 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1rr6 h GLU 15 CO 0.08 0.28 0.21 2.35 -1.00 0.00 0.00 179.01 180.94 1rr6 h TRP 16 N 0.44 0.37 -0.23 4.33 7.01 -1.10 0.58 115.95 127.35 1rr6 h TRP 16 Ca 0.22 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.19 1rr6 h TRP 16 Cb 0.16 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1rr6 h TRP 16 CO -0.12 0.10 -0.10 -0.07 -2.79 0.00 0.00 178.44 175.46 1rr6 h LEU 17 N 0.39 0.49 -0.89 0.65 3.38 -0.76 -2.57 115.31 116.00 1rr6 h LEU 17 Ca 0.29 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.96 1rr6 h LEU 17 Cb 0.35 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 1rr6 h LEU 17 CO -0.29 0.78 0.53 -0.07 0.09 0.00 0.00 178.44 179.48 1rr6 h LEU 18 N 0.20 0.76 -1.68 1.67 3.38 0.07 0.05 115.31 119.76 1rr6 h LEU 18 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rr6 h LEU 18 Cb 0.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1rr6 h LEU 18 CO 0.03 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 177.44 1rr6 n SER 19 N -4.70 2.46 0.00 -0.43 3.41 0.13 -3.65 113.62 110.84 1rr6 n SER 19 Ca 0.16 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1rr6 n SER 19 Cb 0.31 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1rr6 n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1rr6 n HIS 20 N 0.49 0.00 -3.67 7.33 8.25 -0.04 -5.02 115.22 122.57 1rr6 n HIS 20 Ca 0.13 -0.09 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 1rr6 n HIS 20 Cb 0.45 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.47 1rr6 n HIS 20 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1rr6 s THR 21 N -0.18 0.01 -0.72 1.59 -1.32 -0.95 -5.02 115.64 109.06 1rr6 s THR 21 Ca 0.00 -0.11 0.25 0.00 -1.21 0.00 0.00 61.69 60.62 1rr6 s THR 21 Cb 0.00 -0.76 0.14 0.00 -1.51 0.00 0.00 72.50 70.37 1rr6 s THR 21 CO 0.00 -0.06 1.52 0.29 -2.21 0.00 0.00 174.62 174.16 1rr6 n LYS 22 N 2.05 0.24 -2.12 7.08 4.76 -1.26 -4.72 118.16 124.19 1rr6 n LYS 22 Ca -0.16 0.12 -0.37 0.00 -2.87 0.00 0.00 58.31 55.02 1rr6 n LYS 22 Cb 0.56 -1.70 0.01 0.00 -1.84 0.00 0.00 35.03 32.06 1rr6 n LYS 22 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1rr6 s HIS 23 N -3.12 2.67 -0.36 2.13 3.76 -1.26 -5.01 115.29 114.09 1rr6 s HIS 23 Ca 0.09 1.50 -0.00 0.00 -0.15 0.00 0.00 55.06 56.49 1rr6 s HIS 23 Cb 0.14 -3.48 0.13 0.00 1.11 0.00 0.00 32.58 30.48 1rr6 s HIS 23 CO 0.67 -1.91 0.20 1.03 -0.85 0.00 0.00 174.74 173.87 1rr6 s ARG 24 N -2.87 0.69 0.66 1.40 1.81 -1.26 -4.94 118.95 114.45 1rr6 s ARG 24 Ca 0.68 -1.38 -0.16 0.00 -1.72 0.00 0.00 55.73 53.15 1rr6 s ARG 24 Cb -0.31 -1.58 0.00 0.00 -0.45 0.00 0.00 34.95 32.62 1rr6 s ARG 24 CO 0.37 -1.16 1.14 -1.25 -0.68 0.00 0.00 175.30 173.72 1rr6 s PRO 25 N 1.06 2.69 -0.03 3.54 0.04 -1.26 -4.84 135.00 136.19 1rr6 s PRO 25 Ca 0.16 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1rr6 s PRO 25 Cb -0.22 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1rr6 s PRO 25 CO -0.05 -1.36 -0.01 0.94 0.04 0.00 0.00 177.00 176.56 1rr6 n GLN 26 N -2.36 1.62 -4.93 4.56 7.27 0.14 -3.29 117.38 120.39 1rr6 n GLN 26 Ca 0.11 0.01 -0.33 0.00 0.07 0.00 0.00 57.00 56.87 1rr6 n GLN 26 Cb 0.51 -1.08 -0.15 0.00 2.41 0.00 0.00 30.24 31.94 1rr6 n GLN 26 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1rr6 s VAL 27 N -2.07 2.80 -0.11 1.69 1.01 -0.81 -0.51 120.40 122.40 1rr6 s VAL 27 Ca -0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1rr6 s VAL 27 Cb 0.01 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1rr6 s VAL 27 CO 0.10 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.71 1rr6 s ALA 28 N 0.02 3.02 -0.09 5.51 0.00 -0.02 -2.08 121.76 128.11 1rr6 s ALA 28 Ca -0.05 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1rr6 s ALA 28 Cb -0.15 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.59 1rr6 s ALA 28 CO 0.05 0.42 -0.17 0.42 0.00 0.00 0.00 175.76 176.47 1rr6 s ILE 29 N -0.32 1.58 -0.36 0.00 1.01 0.33 -0.75 121.20 122.69 1rr6 s ILE 29 Ca 0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1rr6 s ILE 29 Cb -0.12 -1.41 0.04 0.00 0.01 0.00 0.00 42.46 40.98 1rr6 s ILE 29 CO 0.02 0.45 0.15 -0.63 0.00 0.00 0.00 174.94 174.94 1rr6 s ILE 30 N 0.65 4.02 -0.24 2.92 1.01 0.46 -0.41 121.20 129.61 1rr6 s ILE 30 Ca -0.13 -1.13 -0.27 0.00 0.00 0.00 0.00 60.65 59.11 1rr6 s ILE 30 Cb -0.16 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1rr6 s ILE 30 CO 0.04 -0.25 0.96 0.00 0.00 0.00 0.00 174.94 175.69 1rr6 n GLY 32 N 3.54 -1.91 3.70 0.00 0.00 -1.03 -4.33 105.19 105.15 1rr6 n GLY 32 Ca 0.09 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 1rr6 n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rr6 n SER 33 N -2.91 3.71 -1.67 1.61 2.88 -1.26 -2.56 113.62 113.42 1rr6 n SER 33 Ca 0.00 1.05 -0.18 0.00 -1.33 0.00 0.00 58.87 58.40 1rr6 n SER 33 Cb 0.00 -1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 61.90 1rr6 n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rr6 n GLY 34 N 3.89 0.94 0.00 0.46 0.00 -1.26 -4.63 105.19 104.58 1rr6 n GLY 34 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1rr6 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rr6 n LEU 35 N -2.29 1.22 0.00 0.99 4.77 -1.06 -4.59 117.00 116.04 1rr6 n LEU 35 Ca -0.20 -1.22 0.03 0.00 -0.03 0.00 0.00 56.01 54.59 1rr6 n LEU 35 Cb 0.63 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.89 1rr6 n LEU 35 CO 0.27 0.31 0.55 0.61 -1.33 0.00 0.00 177.39 177.79 1rr6 n GLY 36 N -0.24 -0.54 0.27 -0.72 0.00 -1.26 -2.96 105.19 99.76 1rr6 n GLY 36 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1rr6 n GLY 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rr6 h GLY 37 N 1.17 0.00 -0.71 -0.02 0.00 -1.94 -2.73 103.07 98.84 1rr6 h GLY 37 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.67 1rr6 h GLY 37 CO 0.00 0.00 1.02 1.41 0.00 0.00 0.00 176.54 178.97 1rr6 h LEU 38 N 0.00 0.00 -1.94 3.11 3.38 -1.91 0.40 115.31 118.35 1rr6 h LEU 38 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1rr6 h LEU 38 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1rr6 h LEU 38 CO 0.00 0.00 0.29 0.00 0.09 0.00 0.00 178.44 178.82 1rr6 h THR 39 N 0.00 0.83 -0.35 0.22 1.03 -1.79 -1.90 112.91 110.96 1rr6 h THR 39 Ca 0.56 -0.02 -0.01 0.00 -0.01 0.00 0.00 66.41 66.93 1rr6 h THR 39 Cb 2.60 0.75 -0.02 0.00 -1.07 0.00 0.00 68.15 70.42 1rr6 h THR 39 CO -0.01 0.01 0.16 0.44 -0.01 0.00 0.00 175.52 176.12 1rr6 h ASP 40 N 0.07 0.46 0.19 0.00 3.32 -0.45 -2.98 116.42 117.03 1rr6 h ASP 40 Ca 0.19 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1rr6 h ASP 40 Cb 0.68 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1rr6 h ASP 40 CO -0.01 0.47 0.00 0.29 -1.72 0.00 0.00 179.24 178.26 1rr6 n LYS 41 N -4.73 0.01 -2.68 3.56 5.02 -0.71 -4.75 118.16 113.87 1rr6 n LYS 41 Ca -0.01 0.41 -0.34 0.00 -2.02 0.00 0.00 58.31 56.35 1rr6 n LYS 41 Cb 0.11 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1rr6 n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rr6 s LEU 42 N -3.06 3.93 0.04 -0.35 1.43 -1.13 -4.77 118.68 114.77 1rr6 s LEU 42 Ca 0.03 1.82 0.06 0.00 -1.03 0.00 0.00 54.13 55.01 1rr6 s LEU 42 Cb 0.04 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 1rr6 s LEU 42 CO 0.11 -0.54 -0.15 0.42 0.23 0.00 0.00 176.35 176.41 1rr6 s THR 43 N -2.04 3.01 -1.39 5.49 -4.23 0.02 -4.46 115.64 112.05 1rr6 s THR 43 Ca 0.64 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1rr6 s THR 43 Cb -0.13 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1rr6 s THR 43 CO 0.17 0.33 0.44 0.00 -0.54 0.00 0.00 174.62 175.02 1rr6 n GLN 44 N 1.48 -3.78 -1.67 3.99 6.02 -1.26 -1.59 117.38 120.57 1rr6 n GLN 44 Ca -0.16 0.81 -0.43 0.00 -0.01 0.00 0.00 57.00 57.22 1rr6 n GLN 44 Cb 0.52 -5.40 -0.03 0.00 1.02 0.00 0.00 30.24 26.35 1rr6 n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rr6 s ALA 45 N -3.06 3.12 -0.22 -1.58 0.00 -1.26 -4.54 121.76 114.22 1rr6 s ALA 45 Ca 0.22 0.98 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 1rr6 s ALA 45 Cb -0.10 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 1rr6 s ALA 45 CO 0.27 -2.23 0.04 -1.14 0.00 0.00 0.00 175.76 172.70 1rr6 s GLN 46 N 5.45 3.67 -0.01 0.00 0.74 -0.07 -4.94 119.66 124.50 1rr6 s GLN 46 Ca 0.93 -0.48 -0.04 0.00 0.05 0.00 0.00 55.36 55.83 1rr6 s GLN 46 Cb -0.36 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 1rr6 s GLN 46 CO 0.37 -0.07 0.20 0.42 -0.55 0.00 0.00 175.29 175.67 1rr6 s ILE 47 N 1.26 5.41 -0.10 -2.34 1.01 -1.26 -0.29 121.20 124.89 1rr6 s ILE 47 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1rr6 s ILE 47 Cb -0.15 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1rr6 s ILE 47 CO 0.03 0.34 0.12 -0.36 0.00 0.00 0.00 174.94 175.07 1rr6 s PHE 48 N -1.32 -0.05 0.44 3.97 0.08 -0.20 -5.00 117.98 115.91 1rr6 s PHE 48 Ca 0.27 0.30 -0.22 0.00 0.12 0.00 0.00 56.93 57.39 1rr6 s PHE 48 Cb -0.13 -0.42 -0.09 0.00 -0.57 0.00 0.00 43.02 41.82 1rr6 s PHE 48 CO 0.18 -0.32 1.06 -0.51 -0.10 0.00 0.00 175.22 175.52 1rr6 s ASP 49 N 2.23 6.50 0.24 1.36 1.01 -1.26 0.88 116.67 127.63 1rr6 s ASP 49 Ca 0.04 2.03 -0.06 0.00 0.71 0.00 0.00 52.55 55.26 1rr6 s ASP 49 Cb -0.13 -2.58 0.28 0.00 1.01 0.00 0.00 42.92 41.50 1rr6 s ASP 49 CO -0.06 -0.67 1.89 1.88 0.21 0.00 0.00 175.17 178.41 1rr6 h TYR 50 N 2.04 1.09 -1.11 4.23 0.05 -0.30 -2.48 116.97 120.50 1rr6 h TYR 50 Ca -0.49 0.03 0.31 0.00 0.05 0.00 0.00 58.73 58.63 1rr6 h TYR 50 Cb 1.22 -0.36 -0.08 0.00 1.01 0.00 0.00 36.73 38.52 1rr6 h TYR 50 CO 0.57 0.63 0.75 0.66 -1.05 0.00 0.00 178.16 179.72 1rr6 h SER 51 N 1.13 0.25 0.81 3.88 4.64 -1.92 0.16 113.55 122.51 1rr6 h SER 51 Ca 0.36 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1rr6 h SER 51 Cb -0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1rr6 h SER 51 CO -0.12 0.03 -0.48 -1.84 -0.87 0.00 0.00 176.83 173.55 1rr6 n GLU 52 N -4.45 0.18 -2.91 4.77 0.28 -0.93 -4.83 120.64 112.74 1rr6 n GLU 52 Ca 0.26 0.06 -0.43 0.00 -0.16 0.00 0.00 57.16 56.90 1rr6 n GLU 52 Cb 1.06 -1.62 -0.05 0.00 1.43 0.00 0.00 31.44 32.26 1rr6 n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rr6 s ILE 53 N -3.10 4.65 0.29 3.84 1.01 0.55 -5.02 121.20 123.43 1rr6 s ILE 53 Ca 0.09 0.82 -0.27 0.00 0.00 0.00 0.00 60.65 61.29 1rr6 s ILE 53 Cb 0.15 -4.29 -0.15 0.00 0.01 0.00 0.00 42.46 38.19 1rr6 s ILE 53 CO 0.69 -0.57 0.76 -2.65 0.00 0.00 0.00 174.94 173.17 1rr6 n PRO 54 N 6.66 0.77 -0.87 2.79 -0.02 -1.26 -1.96 135.00 141.11 1rr6 n PRO 54 Ca 0.04 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1rr6 n PRO 54 Cb 0.48 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1rr6 n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rr6 n ASN 55 N 1.48 -3.48 -4.72 2.55 4.13 -1.26 -4.72 115.26 109.25 1rr6 n ASN 55 Ca 0.13 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.97 1rr6 n ASN 55 Cb 0.31 -2.52 -0.04 0.00 -1.54 0.00 0.00 39.78 35.99 1rr6 n ASN 55 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1rr6 s PHE 56 N -1.38 3.74 -0.16 3.10 0.40 -0.83 -4.93 117.98 117.92 1rr6 s PHE 56 Ca 0.00 1.75 -0.34 0.00 -0.60 0.00 0.00 56.93 57.74 1rr6 s PHE 56 Cb 0.00 -3.09 -0.11 0.00 0.51 0.00 0.00 43.02 40.33 1rr6 s PHE 56 CO 0.00 0.07 1.99 -2.30 0.70 0.00 0.00 175.22 175.68 1rr6 n PRO 57 N 3.19 1.93 -2.53 0.24 -0.02 -1.26 -4.84 135.00 131.70 1rr6 n PRO 57 Ca 0.04 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 1rr6 n PRO 57 Cb 0.50 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 1rr6 n PRO 57 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1rr6 s ARG 58 N 4.82 4.25 0.28 -0.52 3.52 -1.26 -4.93 118.95 125.10 1rr6 s ARG 58 Ca 0.97 1.52 -0.29 0.00 -0.13 0.00 0.00 55.73 57.81 1rr6 s ARG 58 Cb -0.68 -3.71 -0.14 0.00 -1.56 0.00 0.00 34.95 28.87 1rr6 s ARG 58 CO 0.49 -0.67 1.08 0.45 -0.81 0.00 0.00 175.30 175.84 1rr6 n SER 59 N 6.46 1.54 0.00 -2.12 2.88 -1.26 -4.98 113.62 116.15 1rr6 n SER 59 Ca 0.13 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 1rr6 n SER 59 Cb 0.45 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 1rr6 n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1rr6 n THR 60 N 0.48 0.00 -2.69 2.46 -2.24 -1.26 -4.90 114.28 106.14 1rr6 n THR 60 Ca 0.10 0.11 -0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1rr6 n THR 60 Cb 0.31 -0.64 0.05 0.00 -2.10 0.00 0.00 70.33 67.96 1rr6 n THR 60 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1rr6 n VAL 61 N 0.00 0.70 0.00 2.28 0.31 -1.26 -4.89 118.33 115.47 1rr6 n VAL 61 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 64.34 62.34 1rr6 n VAL 61 Cb 0.00 1.14 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 1rr6 n VAL 61 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1rr6 n PRO 62 N -0.54 0.00 0.00 5.55 -0.02 -1.26 -4.73 135.00 134.00 1rr6 n PRO 62 Ca -0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1rr6 n PRO 62 Cb 0.87 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.43 1rr6 n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rr6 n GLY 63 N 0.72 -0.17 2.73 -1.23 0.00 -1.26 -5.00 105.19 100.98 1rr6 n GLY 63 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1rr6 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rr6 n HIS 64 N -0.26 -0.03 -2.73 1.61 -0.00 -1.26 -4.83 115.22 107.71 1rr6 n HIS 64 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 1rr6 n HIS 64 Cb 0.04 -2.03 -0.02 0.00 -0.00 0.00 0.00 29.99 27.98 1rr6 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1rr6 n ALA 65 N 0.87 4.87 -2.67 -1.41 0.00 -1.26 -4.98 120.51 115.93 1rr6 n ALA 65 Ca -0.04 -4.54 -0.43 0.00 0.00 0.00 0.00 53.44 48.43 1rr6 n ALA 65 Cb 0.45 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 1rr6 n ALA 65 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rr6 s GLY 66 N -3.48 1.71 0.04 0.00 0.00 -1.26 -4.62 107.32 99.71 1rr6 s GLY 66 Ca 0.49 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1rr6 s GLY 66 CO -0.16 1.56 -0.09 1.09 0.00 0.00 0.00 173.10 175.49 1rr6 s ARG 67 N 2.84 0.61 -0.39 2.90 1.70 -1.13 0.50 118.95 125.98 1rr6 s ARG 67 Ca 0.19 -0.71 -0.14 0.00 -0.47 0.00 0.00 55.73 54.60 1rr6 s ARG 67 Cb -0.17 -0.47 0.01 0.00 -0.57 0.00 0.00 34.95 33.75 1rr6 s ARG 67 CO 0.15 0.10 0.28 -1.17 -1.08 0.00 0.00 175.30 173.58 1rr6 s LEU 68 N -1.35 4.90 -0.36 -1.89 2.96 0.25 -1.59 118.68 121.61 1rr6 s LEU 68 Ca -0.06 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.05 1rr6 s LEU 68 Cb -0.09 -2.16 0.04 0.00 0.50 0.00 0.00 46.19 44.49 1rr6 s LEU 68 CO 0.01 -0.38 0.15 -0.69 -1.32 0.00 0.00 176.35 174.12 1rr6 s VAL 69 N 1.71 3.99 0.51 1.68 1.01 -0.07 -1.04 120.40 128.19 1rr6 s VAL 69 Ca 0.06 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 1rr6 s VAL 69 Cb -0.18 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1rr6 s VAL 69 CO 0.10 -0.25 0.84 -0.36 0.00 0.00 0.00 175.10 175.43 1rr6 s PHE 70 N 1.43 3.57 -5.00 5.22 0.40 0.60 -0.83 117.98 123.37 1rr6 s PHE 70 Ca -0.00 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.27 1rr6 s PHE 70 Cb -0.20 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1rr6 s PHE 70 CO 0.03 -0.37 0.00 0.41 0.70 0.00 0.00 175.22 175.99 1rr6 n GLY 71 N -2.33 -1.28 3.43 4.36 0.00 -1.21 -0.89 105.19 107.27 1rr6 n GLY 71 Ca 0.02 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1rr6 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rr6 s PHE 72 N -2.93 2.64 -0.20 1.61 0.40 -0.62 -0.73 117.98 118.15 1rr6 s PHE 72 Ca 0.00 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1rr6 s PHE 72 Cb 0.00 -1.63 0.06 0.00 0.51 0.00 0.00 43.02 41.96 1rr6 s PHE 72 CO 0.00 0.09 -0.01 -1.17 0.70 0.00 0.00 175.22 174.83 1rr6 s LEU 73 N -0.57 1.65 -1.37 -0.37 2.96 -0.62 -0.80 118.68 119.56 1rr6 s LEU 73 Ca 0.08 -0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 53.09 1rr6 s LEU 73 Cb -0.11 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.78 1rr6 s LEU 73 CO 0.01 -0.26 0.64 -3.20 -1.32 0.00 0.00 176.35 172.22 1rr6 n ASN 74 N 4.91 -1.34 -3.21 3.68 2.85 -1.26 -2.49 115.26 118.39 1rr6 n ASN 74 Ca -0.10 -0.88 -0.09 0.00 -0.11 0.00 0.00 54.58 53.39 1rr6 n ASN 74 Cb 0.46 -3.69 0.03 0.00 1.24 0.00 0.00 39.78 37.83 1rr6 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rr6 n GLY 75 N -1.71 -1.20 3.55 8.20 0.00 -1.26 -4.65 105.19 108.13 1rr6 n GLY 75 Ca -0.26 0.52 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 1rr6 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rr6 s ARG 76 N -3.86 0.47 -0.52 1.61 1.81 -1.04 -4.94 118.95 112.49 1rr6 s ARG 76 Ca 0.22 1.12 -0.27 0.00 -1.72 0.00 0.00 55.73 55.08 1rr6 s ARG 76 Cb -0.04 0.62 -0.02 0.00 -0.45 0.00 0.00 34.95 35.06 1rr6 s ARG 76 CO 0.76 -0.15 1.77 0.00 -0.68 0.00 0.00 175.30 177.00 1rr6 s ALA 77 N 2.55 2.48 0.51 2.13 0.00 -1.26 -1.58 121.76 126.59 1rr6 s ALA 77 Ca -0.05 -0.37 0.08 0.00 0.00 0.00 0.00 51.96 51.62 1rr6 s ALA 77 Cb -0.09 -4.18 0.08 0.00 0.00 0.00 0.00 23.12 18.93 1rr6 s ALA 77 CO -0.18 -3.37 0.67 0.00 0.00 0.00 0.00 175.76 172.89 1rr6 s VAL 79 N -2.23 -0.73 0.05 0.00 0.11 -0.88 -3.30 120.40 113.41 1rr6 s VAL 79 Ca 0.51 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 1rr6 s VAL 79 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1rr6 s VAL 79 CO 0.32 0.00 -0.10 -0.04 -3.33 0.00 0.00 175.10 171.96 1rr6 s MET 80 N 2.75 2.30 -0.35 1.54 1.00 -0.01 -0.51 119.30 126.01 1rr6 s MET 80 Ca 0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 55.69 54.72 1rr6 s MET 80 Cb -0.10 -2.37 0.02 0.00 0.00 0.00 0.00 34.83 32.38 1rr6 s MET 80 CO -0.18 0.55 0.17 -1.64 0.00 0.00 0.00 175.02 173.92 1rr6 s MET 81 N -1.75 2.92 -0.81 2.03 -1.94 0.45 -0.89 119.30 119.31 1rr6 s MET 81 Ca 0.19 -1.00 -0.12 0.00 -1.71 0.00 0.00 55.69 53.04 1rr6 s MET 81 Cb -0.11 -3.63 0.21 0.00 2.01 0.00 0.00 34.83 33.32 1rr6 s MET 81 CO 0.10 -0.61 0.74 -1.14 -0.01 0.00 0.00 175.02 174.09 1rr6 s GLN 82 N 1.54 3.49 0.00 2.03 0.74 -0.62 -2.35 119.66 124.49 1rr6 s GLN 82 Ca 0.02 -2.51 0.00 0.00 0.05 0.00 0.00 55.36 52.92 1rr6 s GLN 82 Cb -0.19 -4.34 0.00 0.00 1.10 0.00 0.00 33.01 29.59 1rr6 s GLN 82 CO 0.06 -1.27 0.00 0.41 -0.55 0.00 0.00 175.29 173.93 1rr6 n GLY 83 N 3.84 3.40 3.45 2.59 0.00 -1.26 -2.86 105.19 114.36 1rr6 n GLY 83 Ca 0.14 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 1rr6 n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rr6 s ARG 84 N -5.58 1.66 -0.03 1.61 1.70 -1.26 -4.78 118.95 112.27 1rr6 s ARG 84 Ca 0.00 -1.92 -0.02 0.00 -0.47 0.00 0.00 55.73 53.32 1rr6 s ARG 84 Cb 0.00 -0.87 -0.04 0.00 -0.57 0.00 0.00 34.95 33.47 1rr6 s ARG 84 CO 0.00 -0.19 0.10 -0.06 -1.08 0.00 0.00 175.30 174.07 1rr6 s PHE 85 N -3.29 3.38 0.21 5.89 0.08 -1.26 -5.11 117.98 117.88 1rr6 s PHE 85 Ca 0.36 0.28 0.09 0.00 0.12 0.00 0.00 56.93 57.78 1rr6 s PHE 85 Cb 0.09 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1rr6 s PHE 85 CO 0.16 0.59 -0.16 -1.01 -0.10 0.00 0.00 175.22 174.70 1rr6 s HIS 86 N -1.17 1.83 0.16 0.36 3.76 -1.26 -4.87 115.29 114.10 1rr6 s HIS 86 Ca 0.22 -0.51 -0.10 0.00 -0.15 0.00 0.00 55.06 54.52 1rr6 s HIS 86 Cb -0.12 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 32.74 1rr6 s HIS 86 CO 0.13 0.41 1.57 1.98 -0.85 0.00 0.00 174.74 177.97 1rr6 h MET 87 N 2.65 1.02 0.00 1.40 4.05 -1.82 -2.88 114.93 119.35 1rr6 h MET 87 Ca -0.39 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 58.62 1rr6 h MET 87 Cb 1.22 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1rr6 h MET 87 CO 0.59 1.10 0.00 0.10 0.23 0.00 0.00 176.91 178.93 1rr6 h TYR 88 N 0.88 0.00 -0.00 1.39 -0.00 -1.89 0.66 116.97 118.00 1rr6 h TYR 88 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.85 1rr6 h TYR 88 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.48 1rr6 h TYR 88 CO 0.05 0.00 -0.09 0.39 -0.00 0.00 0.00 178.16 178.51 1rr6 n GLU 89 N -2.63 0.71 0.00 0.10 1.02 -1.09 -4.83 120.64 113.93 1rr6 n GLU 89 Ca -0.01 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1rr6 n GLU 89 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1rr6 n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rr6 n GLY 90 N 1.26 0.36 3.76 0.62 0.00 0.22 -5.06 105.19 106.36 1rr6 n GLY 90 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1rr6 n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rr6 s TYR 91 N -2.00 3.27 0.42 1.61 2.02 -1.25 -5.01 117.35 116.41 1rr6 s TYR 91 Ca 0.00 1.54 -0.23 0.00 -0.37 0.00 0.00 57.07 58.01 1rr6 s TYR 91 Cb 0.00 -3.51 -0.09 0.00 -0.40 0.00 0.00 41.96 37.95 1rr6 s TYR 91 CO 0.00 -1.31 1.01 -2.14 -1.57 0.00 0.00 175.55 171.55 1rr6 s PRO 92 N -1.65 4.13 0.64 -1.71 0.02 -1.26 -4.53 135.00 130.64 1rr6 s PRO 92 Ca 0.47 1.37 0.33 0.00 0.02 0.00 0.00 61.00 63.19 1rr6 s PRO 92 Cb -0.36 -2.38 1.79 0.00 0.02 0.00 0.00 34.50 33.57 1rr6 s PRO 92 CO 0.48 -0.15 2.06 -0.07 -0.33 0.00 0.00 177.00 179.00 1rr6 h LEU 93 N 2.21 0.00 0.00 -5.54 3.38 -1.95 0.28 115.31 113.70 1rr6 h LEU 93 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1rr6 h LEU 93 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1rr6 h LEU 93 CO 0.61 0.00 0.00 -2.67 0.09 0.00 0.00 178.44 176.47 1rr6 n TRP 94 N -3.27 0.00 -0.11 1.13 4.27 -1.26 -2.06 117.44 116.13 1rr6 n TRP 94 Ca -0.00 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.40 1rr6 n TRP 94 Cb 0.33 -0.12 -0.09 0.00 -1.36 0.00 0.00 31.31 30.07 1rr6 n TRP 94 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1rr6 n LYS 95 N -1.12 0.52 -0.25 -2.67 5.02 0.95 -3.68 118.16 116.93 1rr6 n LYS 95 Ca 0.19 0.17 0.19 0.00 -2.02 0.00 0.00 58.31 56.84 1rr6 n LYS 95 Cb 0.15 -1.38 0.50 0.00 -0.02 0.00 0.00 35.03 34.28 1rr6 n LYS 95 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1rr6 h VAL 96 N -0.45 0.68 -0.37 -0.18 2.07 -1.35 -2.11 116.25 114.54 1rr6 h VAL 96 Ca -0.54 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1rr6 h VAL 96 Cb 1.63 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1rr6 h VAL 96 CO -0.23 0.08 0.00 0.35 0.02 0.00 0.00 177.57 177.79 1rr6 n THR 97 N -4.53 1.33 -0.25 2.57 -2.24 -0.88 -4.63 114.28 105.65 1rr6 n THR 97 Ca 0.19 -1.20 -0.01 0.00 -2.27 0.00 0.00 64.05 60.76 1rr6 n THR 97 Cb 0.69 0.31 0.19 0.00 -2.10 0.00 0.00 70.33 69.42 1rr6 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1rr6 h PHE 98 N 2.27 1.04 -0.28 4.78 3.57 -1.45 -3.02 116.94 123.85 1rr6 h PHE 98 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1rr6 h PHE 98 Cb 0.95 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1rr6 h PHE 98 CO 0.34 0.69 0.14 -1.35 -2.23 0.00 0.00 178.31 175.91 1rr6 h PRO 99 N 1.09 0.29 -1.12 6.41 0.11 -1.82 -2.77 132.00 134.19 1rr6 h PRO 99 Ca 0.28 -0.02 0.31 0.00 0.11 0.00 0.00 66.00 66.69 1rr6 h PRO 99 Cb -0.04 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 30.92 1rr6 h PRO 99 CO -0.05 0.19 0.75 0.28 -0.21 0.00 0.00 178.00 178.95 1rr6 h VAL 100 N 0.30 0.44 0.00 3.15 2.07 -1.87 0.96 116.25 121.29 1rr6 h VAL 100 Ca 0.12 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1rr6 h VAL 100 Cb 0.03 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1rr6 h VAL 100 CO -0.08 0.04 -0.55 0.03 0.02 0.00 0.00 177.57 177.04 1rr6 h ARG 101 N 0.24 0.00 -0.15 1.57 3.08 -1.59 -2.80 114.38 114.74 1rr6 h ARG 101 Ca 0.61 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.52 1rr6 h ARG 101 Cb 1.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.92 1rr6 h ARG 101 CO -0.23 0.25 -0.47 0.28 -1.07 0.00 0.00 179.97 178.73 1rr6 h VAL 102 N 0.00 1.34 -0.38 2.04 2.07 0.10 -2.73 116.25 118.70 1rr6 h VAL 102 Ca -0.03 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 65.80 1rr6 h VAL 102 Cb 1.25 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 33.01 1rr6 h VAL 102 CO 0.03 0.53 0.10 -0.26 0.02 0.00 0.00 177.57 178.00 1rr6 h PHE 103 N 0.22 0.17 -0.31 1.57 0.04 -0.71 -1.64 116.94 116.29 1rr6 h PHE 103 Ca -0.02 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.83 1rr6 h PHE 103 Cb 1.10 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.17 1rr6 h PHE 103 CO 0.10 0.05 -0.07 1.25 -0.60 0.00 0.00 178.31 179.04 1rr6 h HIS 104 N 0.24 -0.15 0.00 -0.55 -0.00 -1.44 0.24 115.15 113.49 1rr6 h HIS 104 Ca 0.18 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1rr6 h HIS 104 Cb 0.19 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1rr6 h HIS 104 CO -0.17 -0.12 0.00 1.28 -0.00 0.00 0.00 177.93 178.91 1rr6 n LEU 105 N -5.25 0.68 0.12 0.26 4.77 -0.97 -1.32 117.00 115.29 1rr6 n LEU 105 Ca 0.00 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1rr6 n LEU 105 Cb 0.17 -0.60 0.25 0.00 -2.33 0.00 0.00 43.42 40.91 1rr6 n LEU 105 CO 0.20 -0.61 0.65 -0.07 -1.33 0.00 0.00 177.39 176.23 1rr6 h LEU 106 N 0.00 0.00 0.00 2.23 3.38 -0.01 -3.48 115.31 117.43 1rr6 h LEU 106 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rr6 h LEU 106 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rr6 h LEU 106 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1rr6 n GLY 107 N 1.25 1.02 3.70 0.83 0.00 -0.44 -4.67 105.19 106.89 1rr6 n GLY 107 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1rr6 n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rr6 n VAL 108 N -0.53 3.06 -0.81 1.61 0.31 -0.90 -4.72 118.33 116.34 1rr6 n VAL 108 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1rr6 n VAL 108 Cb 0.00 -1.53 0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1rr6 n VAL 108 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1rr6 n ASP 109 N -0.25 0.65 -3.75 4.52 3.85 0.33 -4.51 116.55 117.39 1rr6 n ASP 109 Ca 0.09 -1.45 -0.12 0.00 -0.71 0.00 0.00 54.79 52.59 1rr6 n ASP 109 Cb 0.42 -0.03 -0.12 0.00 -1.35 0.00 0.00 41.12 40.04 1rr6 n ASP 109 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1rr6 s THR 110 N -0.39 -0.01 -0.12 2.12 2.01 -1.08 -1.59 115.64 116.58 1rr6 s THR 110 Ca 0.01 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1rr6 s THR 110 Cb 0.01 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 72.09 1rr6 s THR 110 CO 0.00 0.02 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.53 1rr6 s LEU 111 N 0.59 1.97 -0.24 4.42 2.96 0.58 -0.84 118.68 128.11 1rr6 s LEU 111 Ca -0.03 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1rr6 s LEU 111 Cb -0.05 -1.30 -0.00 0.00 0.50 0.00 0.00 46.19 45.34 1rr6 s LEU 111 CO -0.03 0.08 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.38 1rr6 s VAL 112 N 0.72 3.56 -0.10 1.68 1.01 0.07 -1.64 120.40 125.69 1rr6 s VAL 112 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1rr6 s VAL 112 Cb -0.16 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1rr6 s VAL 112 CO 0.02 0.32 -0.11 0.68 0.00 0.00 0.00 175.10 176.01 1rr6 s VAL 113 N 1.49 3.26 0.13 2.92 -7.23 -0.30 -0.40 120.40 120.27 1rr6 s VAL 113 Ca 0.05 -0.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.66 1rr6 s VAL 113 Cb -0.15 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1rr6 s VAL 113 CO -0.01 0.55 -0.12 0.42 -0.31 0.00 0.00 175.10 175.63 1rr6 s THR 114 N -0.10 1.21 0.19 5.32 -4.23 -0.71 -1.71 115.64 115.61 1rr6 s THR 114 Ca -0.01 -1.86 -0.24 0.00 -1.18 0.00 0.00 61.69 58.40 1rr6 s THR 114 Cb -0.14 -1.64 0.05 0.00 1.34 0.00 0.00 72.50 72.12 1rr6 s THR 114 CO 0.03 -0.58 0.90 0.54 -0.54 0.00 0.00 174.62 174.97 1rr6 s ASN 115 N -2.77 -0.20 -0.04 3.99 2.20 -1.00 -2.45 114.94 114.67 1rr6 s ASN 115 Ca 0.12 -0.46 -0.02 0.00 -0.94 0.00 0.00 52.86 51.56 1rr6 s ASN 115 Cb -0.01 0.55 -0.04 0.00 -2.00 0.00 0.00 41.25 39.75 1rr6 s ASN 115 CO 0.02 -1.02 0.07 0.00 -2.94 0.00 0.00 177.10 173.22 1rr6 s ALA 116 N -3.45 3.54 0.15 3.54 0.00 -1.26 -1.02 121.76 123.25 1rr6 s ALA 116 Ca 0.12 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 1rr6 s ALA 116 Cb -0.03 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.54 1rr6 s ALA 116 CO 0.04 0.65 0.48 0.00 0.00 0.00 0.00 175.76 176.93 1rr6 s ALA 117 N -1.09 -1.16 0.63 0.00 0.00 -1.10 -4.71 121.76 114.33 1rr6 s ALA 117 Ca 0.19 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.17 1rr6 s ALA 117 Cb -0.12 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1rr6 s ALA 117 CO 0.09 -0.71 0.99 0.20 0.00 0.00 0.00 175.76 176.34 1rr6 s GLY 118 N -2.79 1.61 -0.31 0.00 0.00 -0.53 -2.09 107.32 103.22 1rr6 s GLY 118 Ca 0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 1rr6 s GLY 118 CO -0.11 -0.09 0.18 -0.32 0.00 0.00 0.00 173.10 172.76 1rr6 s GLY 119 N -4.27 1.90 -0.22 0.20 0.00 0.24 -2.47 107.32 102.71 1rr6 s GLY 119 Ca 0.55 -1.28 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 1rr6 s GLY 119 CO 0.50 0.69 -0.04 1.04 0.00 0.00 0.00 173.10 175.29 1rr6 n LEU 120 N 5.03 2.47 -4.70 0.66 4.77 0.64 -2.11 117.00 123.78 1rr6 n LEU 120 Ca -0.14 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1rr6 n LEU 120 Cb 0.50 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1rr6 n LEU 120 CO 0.34 0.73 1.44 0.21 -1.33 0.00 0.00 177.39 178.78 1rr6 s ASN 121 N -6.94 6.44 0.58 -1.43 3.84 -0.37 -4.86 114.94 112.20 1rr6 s ASN 121 Ca -0.32 2.74 0.37 0.00 0.21 0.00 0.00 52.86 55.86 1rr6 s ASN 121 Cb 0.09 -2.57 1.75 0.00 -0.55 0.00 0.00 41.25 39.97 1rr6 s ASN 121 CO 0.61 -0.98 2.11 1.55 -2.79 0.00 0.00 177.10 177.60 1rr6 h PRO 122 N 8.30 0.00 0.00 0.43 0.13 -1.92 -2.71 132.00 136.23 1rr6 h PRO 122 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 1rr6 h PRO 122 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1rr6 h PRO 122 CO 0.95 0.00 -0.34 0.87 -0.23 0.00 0.00 178.00 179.25 1rr6 h LYS 123 N 0.00 0.00 -7.26 0.86 1.57 -1.99 -3.46 116.57 106.29 1rr6 h LYS 123 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1rr6 h LYS 123 Cb 0.31 0.00 0.18 0.00 0.08 0.00 0.00 32.23 32.80 1rr6 h LYS 123 CO 0.00 0.34 0.20 -0.06 -0.57 0.00 0.00 179.45 179.35 1rr6 s PHE 124 N -3.30 1.85 0.01 -1.35 0.40 -1.02 -5.07 117.98 109.50 1rr6 s PHE 124 Ca 0.03 1.50 -0.18 0.00 -0.60 0.00 0.00 56.93 57.68 1rr6 s PHE 124 Cb 0.09 -3.20 0.03 0.00 0.51 0.00 0.00 43.02 40.44 1rr6 s PHE 124 CO 0.69 -2.81 0.39 -1.21 0.70 0.00 0.00 175.22 172.98 1rr6 s GLU 125 N -4.71 0.81 0.14 0.44 0.41 -1.26 -5.03 118.70 109.51 1rr6 s GLU 125 Ca 0.66 -0.23 -0.35 0.00 -0.41 0.00 0.00 54.97 54.64 1rr6 s GLU 125 Cb -0.21 0.36 -0.15 0.00 -1.78 0.00 0.00 34.13 32.35 1rr6 s GLU 125 CO 0.59 -0.25 1.38 0.28 -0.49 0.00 0.00 175.26 176.77 1rr6 n VAL 126 N 0.90 0.29 0.00 2.63 0.31 -1.26 -0.44 118.33 120.77 1rr6 n VAL 126 Ca -0.20 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1rr6 n VAL 126 Cb 0.58 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1rr6 n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rr6 n GLY 127 N 2.62 2.75 3.43 2.92 0.00 -0.45 -5.03 105.19 111.43 1rr6 n GLY 127 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1rr6 n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rr6 n ASP 128 N 0.00 -1.94 -3.77 1.61 9.92 0.42 -4.77 116.55 118.02 1rr6 n ASP 128 Ca 0.00 0.34 -0.30 0.00 -0.53 0.00 0.00 54.79 54.30 1rr6 n ASP 128 Cb 0.00 -1.22 -0.14 0.00 -0.64 0.00 0.00 41.12 39.12 1rr6 n ASP 128 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1rr6 s ILE 129 N -2.39 1.31 0.00 0.53 -1.09 -1.26 -2.12 121.20 116.19 1rr6 s ILE 129 Ca 0.58 -1.98 -0.28 0.00 -2.23 0.00 0.00 60.65 56.73 1rr6 s ILE 129 Cb -0.22 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 1rr6 s ILE 129 CO 0.67 -0.74 0.89 -0.32 -1.23 0.00 0.00 174.94 174.21 1rr6 s MET 130 N 1.03 4.55 0.28 2.79 -2.45 0.01 -2.58 119.30 122.93 1rr6 s MET 130 Ca 0.13 1.27 -0.19 0.00 -1.25 0.00 0.00 55.69 55.64 1rr6 s MET 130 Cb -0.20 -3.44 -0.09 0.00 1.25 0.00 0.00 34.83 32.35 1rr6 s MET 130 CO -0.13 0.05 0.77 -1.17 1.05 0.00 0.00 175.02 175.59 1rr6 s LEU 131 N 0.72 4.22 -0.42 4.11 2.96 0.23 -0.06 118.68 130.44 1rr6 s LEU 131 Ca 0.47 1.45 -0.18 0.00 -0.22 0.00 0.00 54.13 55.65 1rr6 s LEU 131 Cb -0.21 -3.87 0.02 0.00 0.50 0.00 0.00 46.19 42.64 1rr6 s LEU 131 CO 0.26 -0.08 0.50 -0.63 -1.32 0.00 0.00 176.35 175.07 1rr6 s ILE 132 N -1.73 5.01 -0.07 6.68 1.01 -0.84 -0.79 121.20 130.47 1rr6 s ILE 132 Ca 0.49 -0.16 0.12 0.00 0.00 0.00 0.00 60.65 61.10 1rr6 s ILE 132 Cb -0.14 -4.08 -0.23 0.00 0.01 0.00 0.00 42.46 38.01 1rr6 s ILE 132 CO 0.20 -0.45 0.56 -1.14 0.00 0.00 0.00 174.94 174.10 1rr6 n ARG 133 N 5.80 0.65 -3.67 2.79 0.63 0.25 -4.76 116.66 118.35 1rr6 n ARG 133 Ca -0.05 0.25 -0.05 0.00 -0.92 0.00 0.00 57.85 57.08 1rr6 n ARG 133 Cb 0.48 -1.75 -0.02 0.00 0.45 0.00 0.00 32.46 31.62 1rr6 n ARG 133 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1rr6 s ASP 134 N -6.08 -0.25 0.20 6.15 -1.08 -1.20 -4.54 116.67 109.88 1rr6 s ASP 134 Ca -0.07 -0.28 0.02 0.00 -0.52 0.00 0.00 52.55 51.70 1rr6 s ASP 134 Cb 0.08 0.47 -0.05 0.00 -1.46 0.00 0.00 42.92 41.96 1rr6 s ASP 134 CO 0.82 -0.84 0.02 -1.38 0.52 0.00 0.00 175.17 174.31 1rr6 s HIS 135 N -3.28 1.36 -0.20 -5.34 -3.43 -1.26 -0.16 115.29 102.97 1rr6 s HIS 135 Ca 0.10 -1.03 0.01 0.00 -0.80 0.00 0.00 55.06 53.33 1rr6 s HIS 135 Cb -0.01 -0.78 0.04 0.00 -1.43 0.00 0.00 32.58 30.40 1rr6 s HIS 135 CO -0.01 -0.20 -0.09 0.42 -2.00 0.00 0.00 174.74 172.85 1rr6 s ILE 136 N -3.63 1.60 -1.17 -5.38 1.01 -0.67 -4.90 121.20 108.07 1rr6 s ILE 136 Ca 0.28 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1rr6 s ILE 136 Cb 0.06 -1.71 0.24 0.00 0.01 0.00 0.00 42.46 41.06 1rr6 s ILE 136 CO 0.07 0.13 1.43 -3.20 0.00 0.00 0.00 174.94 173.37 1rr6 n ASN 137 N 4.69 5.57 -0.20 3.58 5.15 -1.26 -2.18 115.26 130.61 1rr6 n ASN 137 Ca -0.14 -3.12 -0.00 0.00 -0.60 0.00 0.00 54.58 50.72 1rr6 n ASN 137 Cb 0.46 -1.42 0.10 0.00 -0.53 0.00 0.00 39.78 38.39 1rr6 n ASN 137 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rr6 h LEU 138 N 7.42 0.19 -1.29 1.20 3.38 -1.98 -0.84 115.31 123.38 1rr6 h LEU 138 Ca 0.26 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1rr6 h LEU 138 Cb 0.77 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1rr6 h LEU 138 CO 1.26 0.11 0.49 -0.65 0.09 0.00 0.00 178.44 179.74 1rr6 h PRO 139 N 0.38 0.92 -0.78 1.13 0.11 -1.84 -2.49 132.00 129.43 1rr6 h PRO 139 Ca 0.30 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.36 1rr6 h PRO 139 Cb 0.38 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 1rr6 h PRO 139 CO -0.32 0.61 0.51 0.78 -0.21 0.00 0.00 178.00 179.37 1rr6 h GLY 140 N 0.95 1.09 0.64 -0.55 0.00 -0.85 -2.01 103.07 102.35 1rr6 h GLY 140 Ca 0.28 -0.41 0.08 0.00 0.00 0.00 0.00 47.33 47.28 1rr6 h GLY 140 CO -0.07 0.40 0.60 0.74 0.00 0.00 0.00 176.54 178.21 1rr6 h PHE 141 N 1.05 1.10 -0.00 5.60 0.04 -1.12 -2.44 116.94 121.18 1rr6 h PHE 141 Ca 0.28 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1rr6 h PHE 141 Cb -0.12 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.68 1rr6 h PHE 141 CO 0.00 0.52 -0.10 0.43 -0.60 0.00 0.00 178.31 178.56 1rr6 n SER 142 N -4.59 0.11 0.00 2.17 7.64 -0.96 -4.92 113.62 113.07 1rr6 n SER 142 Ca 0.15 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1rr6 n SER 142 Cb 0.24 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1rr6 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rr6 n GLY 143 N 1.49 1.22 3.57 0.23 0.00 -0.92 -5.06 105.19 105.72 1rr6 n GLY 143 Ca 0.07 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1rr6 n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rr6 s GLN 144 N 0.00 3.33 -0.07 1.61 -1.52 -0.80 -4.87 119.66 117.35 1rr6 s GLN 144 Ca 0.00 -1.24 0.01 0.00 -1.95 0.00 0.00 55.36 52.19 1rr6 s GLN 144 Cb 0.00 -5.34 0.02 0.00 -0.22 0.00 0.00 33.01 27.47 1rr6 s GLN 144 CO 0.00 -2.75 -0.09 1.21 -0.25 0.00 0.00 175.29 173.42 1rr6 s ASN 145 N 5.58 1.60 0.59 5.90 3.84 -1.26 -2.49 114.94 128.70 1rr6 s ASN 145 Ca 0.57 -0.24 0.29 0.00 0.21 0.00 0.00 52.86 53.68 1rr6 s ASN 145 Cb -0.00 -0.71 1.57 0.00 -0.55 0.00 0.00 41.25 41.56 1rr6 s ASN 145 CO 0.01 -0.03 2.00 1.55 -2.79 0.00 0.00 177.10 177.84 1rr6 h PRO 146 N 7.29 0.00 -0.00 0.43 0.13 -1.89 -0.35 132.00 137.60 1rr6 h PRO 146 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1rr6 h PRO 146 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rr6 h PRO 146 CO 0.45 0.00 -0.01 1.28 -0.23 0.00 0.00 178.00 179.50 1rr6 n LEU 147 N -3.75 0.02 -4.64 1.56 4.77 -1.26 -4.62 117.00 109.08 1rr6 n LEU 147 Ca 0.05 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 1rr6 n LEU 147 Cb 0.49 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1rr6 n LEU 147 CO 0.27 0.00 0.71 -1.14 -1.33 0.00 0.00 177.39 175.91 1rr6 n ARG 148 N -1.29 1.66 0.00 3.23 0.63 -0.15 -4.75 116.66 115.99 1rr6 n ARG 148 Ca 0.14 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1rr6 n ARG 148 Cb 0.25 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.07 1rr6 n ARG 148 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rr6 n GLY 149 N 1.03 -2.75 3.74 5.14 0.00 -1.26 -4.64 105.19 106.45 1rr6 n GLY 149 Ca 0.08 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1rr6 n GLY 149 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rr6 n PRO 150 N -0.28 2.55 -2.84 1.61 -0.04 -1.26 -4.95 135.00 129.79 1rr6 n PRO 150 Ca 0.00 0.90 -0.40 0.00 -0.04 0.00 0.00 63.50 63.96 1rr6 n PRO 150 Cb 0.00 -2.63 -0.05 0.00 -0.04 0.00 0.00 33.50 30.78 1rr6 n PRO 150 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1rr6 s ASN 151 N 0.23 7.41 -0.69 3.54 2.47 -1.26 -5.01 114.94 121.63 1rr6 s ASN 151 Ca 0.61 1.68 -0.15 0.00 0.42 0.00 0.00 52.86 55.42 1rr6 s ASN 151 Cb -0.52 -2.54 0.17 0.00 -1.45 0.00 0.00 41.25 36.91 1rr6 s ASN 151 CO 0.54 0.02 0.65 -0.62 -3.72 0.00 0.00 177.10 173.97 1rr6 s ASP 152 N -0.30 6.47 0.58 -4.21 -1.08 -1.26 -4.91 116.67 111.96 1rr6 s ASP 152 Ca 0.42 -2.21 0.32 0.00 -0.52 0.00 0.00 52.55 50.56 1rr6 s ASP 152 Cb -0.23 -2.22 1.40 0.00 -1.46 0.00 0.00 42.92 40.42 1rr6 s ASP 152 CO 0.27 -0.74 1.73 -0.08 0.52 0.00 0.00 175.17 176.88 1rr6 h GLU 153 N 8.37 0.00 -0.17 4.34 4.57 -1.96 0.27 114.58 130.00 1rr6 h GLU 153 Ca -0.09 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1rr6 h GLU 153 Cb 1.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1rr6 h GLU 153 CO 0.91 0.00 0.08 0.00 -1.18 0.00 0.00 179.01 178.82 1rr6 h ARG 154 N 0.00 0.22 0.06 1.92 3.08 -2.02 -3.02 114.38 114.63 1rr6 h ARG 154 Ca 0.42 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 60.18 1rr6 h ARG 154 Cb 2.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 1rr6 h ARG 154 CO -0.00 0.17 -1.48 0.74 -1.07 0.00 0.00 179.97 178.33 1rr6 h PHE 155 N 0.23 0.23 -1.04 3.04 0.04 -0.83 -3.51 116.94 115.10 1rr6 h PHE 155 Ca 0.06 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1rr6 h PHE 155 Cb 0.02 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1rr6 h PHE 155 CO 0.00 1.58 0.00 0.41 -0.60 0.00 0.00 178.31 179.70 1rr6 n GLY 156 N 1.67 0.85 3.91 -1.45 0.00 -1.06 -4.44 105.19 104.67 1rr6 n GLY 156 Ca -0.30 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 1rr6 n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rr6 s ASP 157 N -0.44 5.45 0.14 1.61 1.01 -1.26 -3.83 116.67 119.35 1rr6 s ASP 157 Ca 0.00 0.75 -0.14 0.00 0.71 0.00 0.00 52.55 53.87 1rr6 s ASP 157 Cb 0.00 -1.66 0.01 0.00 1.01 0.00 0.00 42.92 42.29 1rr6 s ASP 157 CO 0.00 -1.19 1.62 -0.09 0.21 0.00 0.00 175.17 175.73 1rr6 h ARG 158 N -0.32 0.78 -2.73 8.23 9.65 -1.96 -3.36 114.38 124.67 1rr6 h ARG 158 Ca -0.45 -0.21 -0.61 0.00 -1.10 0.00 0.00 59.98 57.60 1rr6 h ARG 158 Cb 1.26 -0.09 -0.42 0.00 -1.39 0.00 0.00 29.97 29.34 1rr6 h ARG 158 CO 0.61 0.79 -0.59 1.19 2.80 0.00 0.00 179.97 184.78 1rr6 n PHE 159 N -4.44 3.32 -2.63 2.20 3.72 -1.26 -5.04 117.46 113.33 1rr6 n PHE 159 Ca 0.01 -4.24 -0.34 0.00 -0.05 0.00 0.00 57.45 52.83 1rr6 n PHE 159 Cb 0.25 -0.59 -0.05 0.00 -0.94 0.00 0.00 39.48 38.16 1rr6 n PHE 159 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1rr6 s PRO 160 N -1.83 3.94 0.41 -1.08 0.04 -1.26 -5.04 135.00 130.18 1rr6 s PRO 160 Ca 0.31 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 1rr6 s PRO 160 Cb 0.03 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1rr6 s PRO 160 CO -0.11 -0.30 0.77 0.00 0.04 0.00 0.00 177.00 177.40 1rr6 s ALA 161 N -2.03 3.35 0.00 8.56 0.00 -1.26 -5.00 121.76 125.38 1rr6 s ALA 161 Ca 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1rr6 s ALA 161 Cb -0.14 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1rr6 s ALA 161 CO 0.18 -0.03 0.16 -1.33 0.00 0.00 0.00 175.76 174.74 1rr6 n MET 162 N -1.36 0.56 0.31 0.00 2.81 -1.26 -4.77 117.12 113.42 1rr6 n MET 162 Ca 0.02 -0.16 0.19 0.00 -1.81 0.00 0.00 57.70 55.95 1rr6 n MET 162 Cb 0.54 -0.58 1.04 0.00 -0.71 0.00 0.00 33.22 33.50 1rr6 n MET 162 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1rr6 h SER 163 N 0.00 0.00 -0.34 7.83 4.64 -2.01 -1.79 113.55 121.88 1rr6 h SER 163 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1rr6 h SER 163 Cb 0.20 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.17 1rr6 h SER 163 CO 0.00 0.02 -0.17 -0.90 -0.87 0.00 0.00 176.83 174.90 1rr6 n ASP 164 N -3.31 2.60 -0.02 4.97 5.75 -1.26 -4.83 116.55 120.45 1rr6 n ASP 164 Ca -0.02 -3.82 -0.09 0.00 -0.01 0.00 0.00 54.79 50.84 1rr6 n ASP 164 Cb 0.12 -0.61 -0.04 0.00 -1.03 0.00 0.00 41.12 39.56 1rr6 n ASP 164 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rr6 h ALA 165 N 1.09 0.10 -2.43 2.12 0.00 -1.64 -3.41 119.26 115.09 1rr6 h ALA 165 Ca 0.21 0.05 -0.68 0.00 0.00 0.00 0.00 54.91 54.49 1rr6 h ALA 165 Cb 1.53 0.10 -0.18 0.00 0.00 0.00 0.00 17.79 19.24 1rr6 h ALA 165 CO 0.38 -0.48 -0.19 0.71 0.00 0.00 0.00 179.25 179.67 1rr6 s TYR 166 N -6.20 3.18 -0.50 0.00 1.51 -1.26 -4.35 117.35 109.73 1rr6 s TYR 166 Ca -0.13 -0.20 -0.46 0.00 -1.01 0.00 0.00 57.07 55.27 1rr6 s TYR 166 Cb 0.09 -2.86 -0.20 0.00 -0.11 0.00 0.00 41.96 38.88 1rr6 s TYR 166 CO 0.68 -0.62 1.75 -3.47 -1.11 0.00 0.00 175.55 172.78 1rr6 n ASP 167 N 5.59 1.06 0.16 2.29 2.03 -0.61 -4.88 116.55 122.19 1rr6 n ASP 167 Ca -0.07 1.02 -0.14 0.00 0.52 0.00 0.00 54.79 56.12 1rr6 n ASP 167 Cb 0.48 -0.88 -0.08 0.00 -0.72 0.00 0.00 41.12 39.92 1rr6 n ASP 167 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1rr6 h ARG 168 N 6.18 -0.32 -0.37 -0.67 2.43 -1.92 -2.38 114.38 117.33 1rr6 h ARG 168 Ca -0.33 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.92 1rr6 h ARG 168 Cb 1.37 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.91 1rr6 h ARG 168 CO 1.00 -0.16 -0.44 1.15 -1.51 0.00 0.00 179.97 180.01 1rr6 h THR 169 N -0.40 0.11 -0.58 0.20 2.02 -2.00 -1.19 112.91 111.06 1rr6 h THR 169 Ca -0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.24 1rr6 h THR 169 Cb 0.31 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 66.75 1rr6 h THR 169 CO 0.06 0.00 0.18 0.24 0.37 0.00 0.00 175.52 176.37 1rr6 h MET 170 N -0.36 0.33 -0.75 6.66 2.86 -1.94 0.17 114.93 121.90 1rr6 h MET 170 Ca 0.12 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.83 1rr6 h MET 170 Cb 0.59 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.11 1rr6 h MET 170 CO -0.55 0.22 0.41 0.00 1.06 0.00 0.00 176.91 178.05 1rr6 h ARG 171 N 0.34 0.69 -0.06 1.72 3.08 -0.72 0.12 114.38 119.55 1rr6 h ARG 171 Ca 0.30 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1rr6 h ARG 171 Cb 0.39 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1rr6 h ARG 171 CO -0.33 0.46 -0.03 1.96 -1.07 0.00 0.00 179.97 180.96 1rr6 h GLN 172 N 0.71 0.12 0.00 0.04 4.20 -0.04 -2.96 115.11 117.18 1rr6 h GLN 172 Ca 0.36 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1rr6 h GLN 172 Cb 0.32 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1rr6 h GLN 172 CO -0.24 0.50 -0.14 0.00 -0.67 0.00 0.00 178.83 178.28 1rr6 h ARG 173 N -0.27 0.00 -0.12 1.46 3.08 -0.30 -2.28 114.38 115.96 1rr6 h ARG 173 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1rr6 h ARG 173 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1rr6 h ARG 173 CO 0.01 0.14 -0.60 0.00 -1.07 0.00 0.00 179.97 178.44 1rr6 h ALA 174 N 1.86 0.75 -0.68 0.04 0.00 -0.73 -2.60 119.26 117.90 1rr6 h ALA 174 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1rr6 h ALA 174 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1rr6 h ALA 174 CO 0.02 0.71 0.32 -0.07 0.00 0.00 0.00 179.25 180.23 1rr6 h LEU 175 N 0.29 0.91 0.31 0.00 3.38 -1.24 -2.34 115.31 116.61 1rr6 h LEU 175 Ca -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1rr6 h LEU 175 Cb 1.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1rr6 h LEU 175 CO 0.10 0.79 -0.23 0.28 0.09 0.00 0.00 178.44 179.48 1rr6 h SER 176 N 0.95 -0.60 -0.99 -0.43 0.02 -1.34 -2.58 113.55 108.58 1rr6 h SER 176 Ca 0.23 0.04 0.36 0.00 -0.84 0.00 0.00 61.79 61.59 1rr6 h SER 176 Cb 0.14 0.19 -0.17 0.00 0.14 0.00 0.00 62.40 62.69 1rr6 h SER 176 CO -0.03 -0.33 0.46 0.74 -1.14 0.00 0.00 176.83 176.53 1rr6 h THR 177 N -0.52 0.10 -0.53 -2.27 2.02 -1.41 0.42 112.91 110.72 1rr6 h THR 177 Ca -0.04 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1rr6 h THR 177 Cb 0.43 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1rr6 h THR 177 CO 0.02 0.02 0.25 -0.25 0.37 0.00 0.00 175.52 175.92 1rr6 h TRP 178 N 0.09 0.78 -0.47 3.16 2.91 -1.15 -2.38 115.95 118.89 1rr6 h TRP 178 Ca 0.77 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.71 1rr6 h TRP 178 Cb 1.90 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 30.29 1rr6 h TRP 178 CO -0.09 0.61 0.17 -0.22 -1.03 0.00 0.00 178.44 177.88 1rr6 h LYS 179 N 0.72 0.72 -3.05 2.65 3.64 0.17 -2.43 116.57 118.98 1rr6 h LYS 179 Ca 0.18 -0.14 -0.50 0.00 -1.27 0.00 0.00 60.65 58.92 1rr6 h LYS 179 Cb 0.13 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1rr6 h LYS 179 CO -0.02 0.67 2.89 1.04 -2.27 0.00 0.00 179.45 181.75 1rr6 n GLN 180 N -4.55 2.87 0.00 1.90 6.02 -0.39 0.31 117.38 123.53 1rr6 n GLN 180 Ca 0.01 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.24 1rr6 n GLN 180 Cb 0.17 -2.56 0.00 0.00 1.02 0.00 0.00 30.24 28.87 1rr6 n GLN 180 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1rr6 n MET 181 N 3.67 0.00 -3.92 -1.09 2.81 -0.93 -4.86 117.12 112.79 1rr6 n MET 181 Ca 0.61 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 56.24 1rr6 n MET 181 Cb 0.26 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.76 1rr6 n MET 181 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rr6 n GLY 182 N 0.00 -0.32 3.81 3.03 0.00 0.15 -4.95 105.19 106.92 1rr6 n GLY 182 Ca 0.00 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1rr6 n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rr6 s GLU 183 N -6.51 4.31 0.04 1.61 0.41 -1.26 -4.99 118.70 112.32 1rr6 s GLU 183 Ca 0.06 0.99 -0.30 0.00 -0.41 0.00 0.00 54.97 55.31 1rr6 s GLU 183 Cb -0.02 -2.77 -0.18 0.00 -1.78 0.00 0.00 34.13 29.38 1rr6 s GLU 183 CO 0.89 0.31 1.44 1.96 -0.49 0.00 0.00 175.26 179.37 1rr6 h GLN 184 N 3.14 -0.80 -6.45 1.61 7.50 -1.97 -3.41 115.11 114.73 1rr6 h GLN 184 Ca -0.48 0.05 -0.54 0.00 0.50 0.00 0.00 58.65 58.19 1rr6 h GLN 184 Cb 1.19 0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.91 1rr6 h GLN 184 CO 0.65 -0.49 0.70 1.03 -1.50 0.00 0.00 178.83 179.22 1rr6 s ARG 185 N -5.47 4.35 0.55 1.46 1.81 -1.26 -5.00 118.95 115.38 1rr6 s ARG 185 Ca -0.16 1.90 -0.19 0.00 -1.72 0.00 0.00 55.73 55.56 1rr6 s ARG 185 Cb 0.03 -3.41 -0.06 0.00 -0.45 0.00 0.00 34.95 31.06 1rr6 s ARG 185 CO 0.56 -0.42 1.09 -1.21 -0.68 0.00 0.00 175.30 174.64 1rr6 s GLU 186 N 1.59 3.42 0.33 3.54 8.01 -1.26 -4.96 118.70 129.37 1rr6 s GLU 186 Ca 0.62 1.44 -0.29 0.00 0.01 0.00 0.00 54.97 56.75 1rr6 s GLU 186 Cb -0.32 -2.03 -0.11 0.00 -4.31 0.00 0.00 34.13 27.36 1rr6 s GLU 186 CO 0.28 -0.76 1.51 -1.17 0.01 0.00 0.00 175.26 175.13 1rr6 s LEU 187 N -3.95 4.34 0.30 1.80 2.96 -1.26 -4.87 118.68 118.00 1rr6 s LEU 187 Ca 0.69 2.97 0.03 0.00 -0.22 0.00 0.00 54.13 57.59 1rr6 s LEU 187 Cb -0.20 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 42.81 1rr6 s LEU 187 CO 0.28 -0.86 0.46 -1.10 -1.32 0.00 0.00 176.35 173.81 1rr6 s GLN 188 N -1.36 3.45 -0.10 1.98 -1.52 -1.07 -4.98 119.66 116.06 1rr6 s GLN 188 Ca 0.57 -0.55 -0.15 0.00 -1.95 0.00 0.00 55.36 53.28 1rr6 s GLN 188 Cb -0.46 -2.77 0.04 0.00 -0.22 0.00 0.00 33.01 29.59 1rr6 s GLN 188 CO 0.56 0.27 0.38 -2.00 -0.25 0.00 0.00 175.29 174.25 1rr6 s GLU 189 N -4.16 0.55 0.00 2.91 2.12 -1.26 0.75 118.70 119.60 1rr6 s GLU 189 Ca 0.37 0.31 0.00 0.00 0.36 0.00 0.00 54.97 56.02 1rr6 s GLU 189 Cb -0.09 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1rr6 s GLU 189 CO 0.33 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1rr6 n GLY 190 N 2.31 -0.73 3.81 -1.50 0.00 0.03 -4.82 105.19 104.28 1rr6 n GLY 190 Ca -0.16 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 1rr6 n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rr6 s THR 191 N -3.00 5.32 -0.26 2.61 2.01 -1.26 -0.58 115.64 120.48 1rr6 s THR 191 Ca 0.00 0.46 -0.08 0.00 0.31 0.00 0.00 61.69 62.38 1rr6 s THR 191 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1rr6 s THR 191 CO 0.00 0.52 0.10 -0.47 -0.69 0.00 0.00 174.62 174.08 1rr6 s TYR 192 N -0.44 3.12 -0.16 4.92 5.04 0.77 -1.00 117.35 129.60 1rr6 s TYR 192 Ca 0.17 -0.30 -0.08 0.00 -2.44 0.00 0.00 57.07 54.42 1rr6 s TYR 192 Cb -0.13 -2.27 -0.04 0.00 0.35 0.00 0.00 41.96 39.86 1rr6 s TYR 192 CO 0.05 -0.32 0.12 0.54 -1.34 0.00 0.00 175.55 174.60 1rr6 s VAL 193 N 1.65 5.28 -0.10 3.14 0.11 0.18 -1.67 120.40 128.99 1rr6 s VAL 193 Ca 0.07 0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1rr6 s VAL 193 Cb -0.15 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 1rr6 s VAL 193 CO 0.05 0.53 0.04 -0.32 -3.33 0.00 0.00 175.10 172.07 1rr6 s MET 194 N -0.32 3.15 0.14 1.54 1.75 -0.93 -2.00 119.30 122.64 1rr6 s MET 194 Ca 0.11 -0.33 0.04 0.00 -1.25 0.00 0.00 55.69 54.26 1rr6 s MET 194 Cb -0.12 -2.91 -0.04 0.00 2.84 0.00 0.00 34.83 34.60 1rr6 s MET 194 CO 0.01 0.70 -0.10 0.14 -0.65 0.00 0.00 175.02 175.12 1rr6 s VAL 195 N -0.85 1.16 -0.04 10.11 -7.23 -0.79 -3.71 120.40 119.05 1rr6 s VAL 195 Ca 0.13 -2.04 0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1rr6 s VAL 195 Cb -0.12 -1.82 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 1rr6 s VAL 195 CO 0.03 -0.74 1.23 0.00 -0.31 0.00 0.00 175.10 175.31 1rr6 h ALA 196 N 2.82 0.56 -0.27 1.32 0.00 -1.90 -3.36 119.26 118.42 1rr6 h ALA 196 Ca -0.37 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1rr6 h ALA 196 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rr6 h ALA 196 CO 0.63 0.99 0.00 0.41 0.00 0.00 0.00 179.25 181.28 1rr6 n GLY 197 N 1.33 -0.51 0.07 0.00 0.00 -1.26 -3.98 105.19 100.83 1rr6 n GLY 197 Ca -0.02 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 45.04 1rr6 n GLY 197 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rr6 n PRO 198 N 0.00 0.43 -2.13 1.61 -0.04 -1.26 -4.86 135.00 128.75 1rr6 n PRO 198 Ca 0.00 -0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 1rr6 n PRO 198 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1rr6 n PRO 198 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1rr6 s SER 199 N -2.67 6.39 0.43 3.54 1.04 -1.26 -5.06 113.70 116.12 1rr6 s SER 199 Ca 0.23 1.45 -0.10 0.00 0.48 0.00 0.00 55.95 58.01 1rr6 s SER 199 Cb 0.19 -2.47 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 1rr6 s SER 199 CO 0.52 -0.74 0.80 -0.36 0.98 0.00 0.00 173.24 174.44 1rr6 s PHE 200 N -2.93 3.49 0.51 5.02 0.08 -1.26 -5.04 117.98 117.85 1rr6 s PHE 200 Ca 0.56 1.06 -0.23 0.00 0.12 0.00 0.00 56.93 58.44 1rr6 s PHE 200 Cb -0.11 -2.46 -0.06 0.00 -0.57 0.00 0.00 43.02 39.82 1rr6 s PHE 200 CO 0.44 -0.18 1.39 -1.21 -0.10 0.00 0.00 175.22 175.56 1rr6 s GLU 201 N -4.04 3.37 0.90 0.44 8.01 -1.26 -5.02 118.70 121.10 1rr6 s GLU 201 Ca 0.51 2.31 -0.11 0.00 0.01 0.00 0.00 54.97 57.69 1rr6 s GLU 201 Cb -0.10 -2.43 0.19 0.00 -4.31 0.00 0.00 34.13 27.48 1rr6 s GLU 201 CO 0.34 -1.03 1.23 0.95 0.01 0.00 0.00 175.26 176.76 1rr6 s THR 202 N -1.26 2.02 0.04 3.63 -4.23 -1.26 -4.85 115.64 109.73 1rr6 s THR 202 Ca 0.67 -0.21 -0.24 0.00 -1.18 0.00 0.00 61.69 60.73 1rr6 s THR 202 Cb -0.42 -2.81 -0.17 0.00 1.34 0.00 0.00 72.50 70.44 1rr6 s THR 202 CO 0.51 0.00 1.52 0.58 -0.54 0.00 0.00 174.62 176.69 1rr6 h VAL 203 N -1.32 1.18 -0.99 2.29 2.07 -1.96 -1.72 116.25 115.81 1rr6 h VAL 203 Ca -0.41 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 66.65 1rr6 h VAL 203 Cb 1.24 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1rr6 h VAL 203 CO 0.36 0.14 0.63 0.00 0.02 0.00 0.00 177.57 178.73 1rr6 h ALA 204 N 0.77 1.47 -0.42 1.67 0.00 -1.93 -1.50 119.26 119.33 1rr6 h ALA 204 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rr6 h ALA 204 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1rr6 h ALA 204 CO 0.00 0.34 0.17 0.93 0.00 0.00 0.00 179.25 180.69 1rr6 h GLU 205 N 1.08 0.62 -0.94 0.00 5.08 -1.84 -2.26 114.58 116.33 1rr6 h GLU 205 Ca 0.45 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1rr6 h GLU 205 Cb 0.30 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1rr6 h GLU 205 CO -0.20 0.58 0.62 0.00 -1.00 0.00 0.00 179.01 179.00 1rr6 h ARG 207 N 1.28 1.11 0.21 0.00 2.47 -1.04 -0.54 114.38 117.87 1rr6 h ARG 207 Ca 0.34 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 1rr6 h ARG 207 Cb -0.14 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 27.94 1rr6 h ARG 207 CO -0.07 0.73 -0.10 0.28 0.56 0.00 0.00 179.97 181.37 1rr6 h VAL 208 N 1.14 0.84 -0.64 2.04 2.07 -0.68 -1.42 116.25 119.59 1rr6 h VAL 208 Ca 0.35 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1rr6 h VAL 208 Cb -0.00 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1rr6 h VAL 208 CO -0.10 0.06 0.43 -0.07 0.02 0.00 0.00 177.57 177.91 1rr6 h LEU 209 N -0.42 0.48 -0.06 2.57 3.38 -0.82 0.40 115.31 120.83 1rr6 h LEU 209 Ca -0.03 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1rr6 h LEU 209 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1rr6 h LEU 209 CO 0.05 0.30 -0.17 1.56 0.09 0.00 0.00 178.44 180.27 1rr6 h GLN 210 N 0.54 0.23 -0.52 1.13 4.20 -0.93 -1.95 115.11 117.81 1rr6 h GLN 210 Ca 0.29 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1rr6 h GLN 210 Cb 0.43 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1rr6 h GLN 210 CO -0.09 0.77 0.35 0.87 -0.67 0.00 0.00 178.83 180.05 1rr6 h LYS 211 N -0.27 0.57 0.00 1.46 1.57 -0.57 0.17 116.57 119.50 1rr6 h LYS 211 Ca -0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1rr6 h LYS 211 Cb 0.77 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1rr6 h LYS 211 CO 0.04 0.38 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.15 1rr6 h LEU 212 N 0.59 0.00 0.00 2.94 3.38 -0.85 -3.46 115.31 117.91 1rr6 h LEU 212 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1rr6 h LEU 212 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1rr6 h LEU 212 CO -0.05 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1rr6 n GLY 213 N -1.20 1.27 3.82 0.83 0.00 0.61 -5.10 105.19 105.41 1rr6 n GLY 213 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1rr6 n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rr6 s ALA 214 N -2.00 3.08 -0.18 4.61 0.00 -0.75 -4.74 121.76 121.79 1rr6 s ALA 214 Ca 0.00 0.40 0.10 0.00 0.00 0.00 0.00 51.96 52.46 1rr6 s ALA 214 Cb 0.00 -3.14 -0.18 0.00 0.00 0.00 0.00 23.12 19.81 1rr6 s ALA 214 CO 0.00 0.15 -0.03 -0.25 0.00 0.00 0.00 175.76 175.62 1rr6 n ASP 215 N -0.44 1.53 -3.99 0.00 8.00 -0.17 -4.44 116.55 117.03 1rr6 n ASP 215 Ca 0.06 -0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.44 1rr6 n ASP 215 Cb 0.53 0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 41.98 1rr6 n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rr6 s ALA 216 N -2.40 0.17 -0.04 2.24 0.00 -0.86 -0.26 121.76 120.61 1rr6 s ALA 216 Ca -0.15 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1rr6 s ALA 216 Cb 0.06 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1rr6 s ALA 216 CO 0.59 -0.33 -0.08 0.54 0.00 0.00 0.00 175.76 176.49 1rr6 s VAL 217 N -3.03 0.76 0.31 0.00 0.11 -1.03 -0.64 120.40 116.87 1rr6 s VAL 217 Ca -0.01 -0.29 0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1rr6 s VAL 217 Cb 0.01 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1rr6 s VAL 217 CO -0.07 0.26 0.30 0.61 -3.33 0.00 0.00 175.10 172.87 1rr6 n GLY 218 N 3.75 2.85 1.77 6.54 0.00 -0.85 -1.46 105.19 117.80 1rr6 n GLY 218 Ca -0.23 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 1rr6 n GLY 218 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rr6 n MET 219 N -0.57 3.01 0.00 1.61 0.00 -1.26 -1.89 117.12 118.03 1rr6 n MET 219 Ca 0.06 -3.91 0.00 0.00 0.00 0.00 0.00 57.70 53.85 1rr6 n MET 219 Cb 0.55 -2.06 0.00 0.00 0.00 0.00 0.00 33.22 31.71 1rr6 n MET 219 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1rr6 n SER 220 N -0.76 0.00 0.00 7.83 3.41 -1.26 -4.64 113.62 118.19 1rr6 n SER 220 Ca 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1rr6 n SER 220 Cb 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1rr6 n SER 220 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1rr6 n THR 221 N 0.00 0.00 -0.24 6.66 -1.04 -1.26 -4.52 114.28 113.88 1rr6 n THR 221 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1rr6 n THR 221 Cb 0.00 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.68 1rr6 n THR 221 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1rr6 h VAL 222 N 0.00 0.59 -0.33 12.58 2.07 -1.97 -0.06 116.25 129.12 1rr6 h VAL 222 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1rr6 h VAL 222 Cb 0.00 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1rr6 h VAL 222 CO 0.00 0.06 0.22 -0.65 0.02 0.00 0.00 177.57 177.22 1rr6 h PRO 223 N 0.32 0.44 -0.66 1.57 0.11 -1.98 -1.04 132.00 130.76 1rr6 h PRO 223 Ca 0.39 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.52 1rr6 h PRO 223 Cb 0.63 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.60 1rr6 h PRO 223 CO -0.45 0.30 0.39 0.93 -0.21 0.00 0.00 178.00 178.95 1rr6 h GLU 224 N 0.45 0.72 0.11 1.05 3.07 -1.61 -1.73 114.58 116.63 1rr6 h GLU 224 Ca 0.12 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1rr6 h GLU 224 Cb -0.04 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 1rr6 h GLU 224 CO -0.03 0.48 -0.08 0.28 -1.40 0.00 0.00 179.01 178.26 1rr6 h VAL 225 N 0.74 0.83 -0.32 3.13 2.07 -0.73 -0.35 116.25 121.62 1rr6 h VAL 225 Ca 0.28 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.86 1rr6 h VAL 225 Cb 0.10 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1rr6 h VAL 225 CO -0.14 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.84 1rr6 h ILE 226 N -0.19 0.75 -0.42 4.57 2.04 -0.79 0.12 117.51 123.60 1rr6 h ILE 226 Ca -0.01 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1rr6 h ILE 226 Cb 0.17 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1rr6 h ILE 226 CO -0.00 0.01 0.05 0.58 0.00 0.00 0.00 178.15 178.79 1rr6 h VAL 227 N 0.08 1.21 0.90 1.67 2.07 -1.20 -1.27 116.25 119.70 1rr6 h VAL 227 Ca 0.15 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1rr6 h VAL 227 Cb 0.21 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1rr6 h VAL 227 CO -0.27 0.28 -0.43 0.00 0.02 0.00 0.00 177.57 177.17 1rr6 h ALA 228 N 1.45 -1.20 -1.00 1.67 0.00 0.01 -2.41 119.26 117.76 1rr6 h ALA 228 Ca 0.13 -0.27 0.17 0.00 0.00 0.00 0.00 54.91 54.95 1rr6 h ALA 228 Cb 0.31 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 1rr6 h ALA 228 CO 0.01 -1.13 0.62 0.00 0.00 0.00 0.00 179.25 178.74 1rr6 h ARG 229 N -1.29 0.82 0.00 0.00 2.47 -0.65 1.09 114.38 116.81 1rr6 h ARG 229 Ca -0.12 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1rr6 h ARG 229 Cb 0.93 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1rr6 h ARG 229 CO 0.20 0.54 0.00 1.25 0.56 0.00 0.00 179.97 182.52 1rr6 h HIS 230 N 0.84 0.00 0.00 3.04 2.76 -1.07 -2.27 115.15 118.45 1rr6 h HIS 230 Ca 0.55 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.61 1rr6 h HIS 230 Cb 0.76 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 1rr6 h HIS 230 CO -0.00 0.00 -1.49 0.00 -1.30 0.00 0.00 177.93 175.14 1rr6 n GLY 232 N 1.34 0.59 3.78 0.00 0.00 -0.73 -4.97 105.19 105.19 1rr6 n GLY 232 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1rr6 n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rr6 s LEU 233 N 0.00 3.96 0.43 0.99 1.43 -1.15 -4.98 118.68 119.36 1rr6 s LEU 233 Ca 0.00 2.14 -0.21 0.00 -1.03 0.00 0.00 54.13 55.03 1rr6 s LEU 233 Cb 0.00 -4.36 -0.11 0.00 0.03 0.00 0.00 46.19 41.76 1rr6 s LEU 233 CO 0.00 -0.85 0.97 -0.60 0.23 0.00 0.00 176.35 176.10 1rr6 s ARG 234 N -2.87 4.17 -0.05 1.70 3.52 -0.62 -4.46 118.95 120.34 1rr6 s ARG 234 Ca 0.65 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 1rr6 s ARG 234 Cb -0.24 -2.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.98 1rr6 s ARG 234 CO 0.28 -0.09 -0.03 0.08 -0.81 0.00 0.00 175.30 174.74 1rr6 s VAL 235 N -2.12 0.45 0.08 7.11 1.01 -1.26 -0.31 120.40 125.36 1rr6 s VAL 235 Ca 0.62 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.61 1rr6 s VAL 235 Cb -0.11 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1rr6 s VAL 235 CO 0.15 0.23 -0.11 0.12 0.00 0.00 0.00 175.10 175.48 1rr6 s PHE 236 N 1.23 1.04 -0.14 5.22 5.36 -0.65 -1.57 117.98 128.47 1rr6 s PHE 236 Ca -0.06 -0.54 -0.33 0.00 -0.96 0.00 0.00 56.93 55.03 1rr6 s PHE 236 Cb -0.14 -0.58 0.13 0.00 -0.34 0.00 0.00 43.02 42.09 1rr6 s PHE 236 CO -0.02 0.01 1.12 0.20 -1.46 0.00 0.00 175.22 175.07 1rr6 s GLY 237 N -1.99 -0.34 0.23 13.12 0.00 -1.26 -1.14 107.32 115.94 1rr6 s GLY 237 Ca -0.01 1.45 -0.06 0.00 0.00 0.00 0.00 44.72 46.11 1rr6 s GLY 237 CO 0.01 0.48 0.30 -0.11 0.00 0.00 0.00 173.10 173.78 1rr6 s PHE 238 N -2.60 0.85 -0.02 1.90 -0.71 -0.70 -1.99 117.98 114.73 1rr6 s PHE 238 Ca 0.08 -1.12 0.05 0.00 -1.04 0.00 0.00 56.93 54.90 1rr6 s PHE 238 Cb -0.01 -0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.56 1rr6 s PHE 238 CO -0.06 -0.82 -0.16 -1.12 -1.34 0.00 0.00 175.22 171.72 1rr6 s SER 239 N -3.12 1.96 -0.54 1.98 0.01 0.92 -2.37 113.70 112.55 1rr6 s SER 239 Ca 0.32 -0.31 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 1rr6 s SER 239 Cb 0.03 -0.31 0.11 0.00 0.21 0.00 0.00 66.02 66.06 1rr6 s SER 239 CO 0.12 0.19 0.53 -0.22 0.41 0.00 0.00 173.24 174.27 1rr6 s LEU 240 N -0.26 5.84 -0.73 2.44 2.96 -0.19 -0.81 118.68 127.93 1rr6 s LEU 240 Ca 0.03 -1.57 -0.26 0.00 -0.22 0.00 0.00 54.13 52.11 1rr6 s LEU 240 Cb -0.08 -2.24 -0.12 0.00 0.50 0.00 0.00 46.19 44.26 1rr6 s LEU 240 CO 0.00 -0.88 2.39 -0.63 -1.32 0.00 0.00 176.35 175.91 1rr6 s ILE 241 N 1.91 3.03 -0.78 6.68 -1.09 -0.90 -2.70 121.20 127.35 1rr6 s ILE 241 Ca 0.06 -0.02 0.26 0.00 -2.23 0.00 0.00 60.65 58.72 1rr6 s ILE 241 Cb -0.27 -3.07 0.23 0.00 -1.58 0.00 0.00 42.46 37.77 1rr6 s ILE 241 CO 0.05 -0.06 1.72 0.35 -1.23 0.00 0.00 174.94 175.77 1rr6 n THR 242 N 8.57 0.42 -3.55 2.92 -2.24 -0.89 -1.35 114.28 118.16 1rr6 n THR 242 Ca 0.44 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.90 1rr6 n THR 242 Cb 0.46 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1rr6 n THR 242 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rr6 s ASN 243 N -4.13 -0.38 -0.13 3.42 4.22 -1.25 -4.62 114.94 112.08 1rr6 s ASN 243 Ca 0.11 0.29 -0.14 0.00 -2.14 0.00 0.00 52.86 50.97 1rr6 s ASN 243 Cb 0.14 0.34 -0.05 0.00 1.28 0.00 0.00 41.25 42.96 1rr6 s ASN 243 CO 0.61 -0.44 0.33 -0.54 -2.04 0.00 0.00 177.10 175.02 1rr6 s LYS 244 N -1.77 4.18 0.36 3.55 1.02 -1.26 0.82 119.74 126.64 1rr6 s LYS 244 Ca 0.00 0.19 -0.26 0.00 0.02 0.00 0.00 55.97 55.92 1rr6 s LYS 244 Cb -0.01 -3.39 -0.09 0.00 -0.52 0.00 0.00 37.83 33.83 1rr6 s LYS 244 CO -0.01 0.31 1.14 0.14 -0.92 0.00 0.00 175.35 176.01 1rr6 s VAL 245 N 0.22 3.31 -0.02 3.17 -7.23 -0.89 -4.77 120.40 114.18 1rr6 s VAL 245 Ca 0.19 1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 61.22 1rr6 s VAL 245 Cb -0.14 -3.68 -0.06 0.00 0.56 0.00 0.00 36.38 33.07 1rr6 s VAL 245 CO 0.06 0.16 1.57 -0.63 -0.31 0.00 0.00 175.10 175.95 1rr6 s ILE 246 N -1.36 3.54 -0.05 -0.62 -1.09 -1.26 -4.91 121.20 115.45 1rr6 s ILE 246 Ca 0.53 0.80 0.01 0.00 -2.23 0.00 0.00 60.65 59.75 1rr6 s ILE 246 Cb -0.30 -3.51 0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1rr6 s ILE 246 CO 0.39 -0.04 1.01 0.23 -1.23 0.00 0.00 174.94 175.30 1rr6 n MET 247 N 6.38 2.99 -4.02 2.79 2.81 -1.26 -4.43 117.12 122.38 1rr6 n MET 247 Ca 0.16 -1.53 -0.10 0.00 -1.81 0.00 0.00 57.70 54.42 1rr6 n MET 247 Cb 0.43 -1.01 -0.11 0.00 -0.71 0.00 0.00 33.22 31.81 1rr6 n MET 247 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1rr6 s ASP 248 N -1.00 0.44 0.18 7.83 -4.77 -1.26 -5.00 116.67 113.09 1rr6 s ASP 248 Ca 0.01 -0.57 0.25 0.00 -3.30 0.00 0.00 52.55 48.93 1rr6 s ASP 248 Cb 0.01 0.09 0.45 0.00 -1.09 0.00 0.00 42.92 42.38 1rr6 s ASP 248 CO 0.01 -0.31 1.46 1.88 0.70 0.00 0.00 175.17 178.90 1rr6 h TYR 249 N 4.43 0.00 -0.05 2.11 -1.99 -2.00 -3.25 116.97 116.21 1rr6 h TYR 249 Ca -0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1rr6 h TYR 249 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.93 1rr6 h TYR 249 CO 0.64 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 179.19 1rr6 n GLU 250 N -2.29 1.15 -2.05 4.88 4.71 -1.26 -4.87 120.64 120.91 1rr6 n GLU 250 Ca 0.04 -0.23 -0.28 0.00 -0.01 0.00 0.00 57.16 56.68 1rr6 n GLU 250 Cb 0.45 -1.18 0.11 0.00 -1.01 0.00 0.00 31.44 29.82 1rr6 n GLU 250 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1rr6 s SER 251 N -1.28 4.21 -0.22 1.62 0.15 -1.23 -5.02 113.70 111.93 1rr6 s SER 251 Ca 0.16 0.46 0.23 0.00 0.70 0.00 0.00 55.95 57.50 1rr6 s SER 251 Cb 0.08 -0.87 0.48 0.00 -1.71 0.00 0.00 66.02 64.01 1rr6 s SER 251 CO 0.12 -2.03 1.14 0.18 1.20 0.00 0.00 173.24 173.86 1rr6 n LEU 252 N -3.28 1.27 -4.30 3.45 4.77 -1.26 -5.10 117.00 112.55 1rr6 n LEU 252 Ca 0.10 -2.85 -0.26 0.00 -0.03 0.00 0.00 56.01 52.98 1rr6 n LEU 252 Cb 0.60 0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.94 1rr6 n LEU 252 CO 0.51 0.99 -0.53 -1.61 -1.33 0.00 0.00 177.39 175.42 1rr6 s GLU 253 N -2.91 1.27 0.07 3.23 0.41 -1.26 -5.15 118.70 114.36 1rr6 s GLU 253 Ca 0.27 -1.15 0.02 0.00 -0.41 0.00 0.00 54.97 53.70 1rr6 s GLU 253 Cb 0.33 -1.55 -0.03 0.00 -1.78 0.00 0.00 34.13 31.11 1rr6 s GLU 253 CO -0.07 0.37 -0.08 0.15 -0.49 0.00 0.00 175.26 175.15 1rr6 s LYS 254 N -1.74 0.71 0.02 1.61 1.02 -1.26 -4.95 119.74 115.15 1rr6 s LYS 254 Ca 0.08 -1.05 -0.14 0.00 0.02 0.00 0.00 55.97 54.88 1rr6 s LYS 254 Cb -0.10 -0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 36.83 1rr6 s LYS 254 CO 0.04 0.04 0.41 0.00 -0.92 0.00 0.00 175.35 174.91 1rr6 s ALA 255 N -2.40 3.70 0.01 5.17 0.00 -1.26 -5.06 121.76 121.92 1rr6 s ALA 255 Ca 0.01 -0.26 -0.20 0.00 0.00 0.00 0.00 51.96 51.52 1rr6 s ALA 255 Cb -0.03 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.77 1rr6 s ALA 255 CO -0.01 0.50 0.44 0.54 0.00 0.00 0.00 175.76 177.22 1rr6 s ASN 256 N -1.23 -0.34 0.61 0.00 2.20 -1.26 -5.02 114.94 109.90 1rr6 s ASN 256 Ca 0.26 0.17 0.32 0.00 -0.94 0.00 0.00 52.86 52.66 1rr6 s ASN 256 Cb -0.16 0.42 1.81 0.00 -2.00 0.00 0.00 41.25 41.32 1rr6 s ASN 256 CO 0.14 -0.59 2.15 -0.74 -2.94 0.00 0.00 177.10 175.12 1rr6 h HIS 257 N 3.25 0.00 0.66 1.54 -0.00 -1.99 -2.08 115.15 116.54 1rr6 h HIS 257 Ca -0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.04 1rr6 h HIS 257 Cb 1.19 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.60 1rr6 h HIS 257 CO 0.43 0.00 -0.32 0.93 -0.00 0.00 0.00 177.93 178.98 1rr6 h GLU 258 N 0.00 -0.86 -0.90 5.26 4.39 -1.99 -0.60 114.58 119.89 1rr6 h GLU 258 Ca 0.05 0.06 0.15 0.00 0.34 0.00 0.00 59.36 59.96 1rr6 h GLU 258 Cb 0.35 0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 1rr6 h GLU 258 CO -0.00 -0.57 0.58 1.49 -1.16 0.00 0.00 179.01 179.34 1rr6 h GLU 259 N -1.20 0.63 -0.09 2.33 4.22 -1.83 0.12 114.58 118.75 1rr6 h GLU 259 Ca -0.09 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.27 1rr6 h GLU 259 Cb 0.68 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1rr6 h GLU 259 CO 0.15 0.42 -0.12 0.28 -2.18 0.00 0.00 179.01 177.56 1rr6 h VAL 260 N 0.65 1.38 0.00 0.32 2.07 -1.35 -2.59 116.25 116.73 1rr6 h VAL 260 Ca 0.46 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1rr6 h VAL 260 Cb 0.80 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1rr6 h VAL 260 CO -0.21 0.38 -0.38 -0.07 0.02 0.00 0.00 177.57 177.31 1rr6 h LEU 261 N -0.20 0.00 -0.48 2.57 3.38 -0.53 -2.00 115.31 118.05 1rr6 h LEU 261 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1rr6 h LEU 261 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1rr6 h LEU 261 CO 0.03 0.38 -0.06 0.00 0.09 0.00 0.00 178.44 178.88 1rr6 h ALA 262 N 1.62 0.65 -0.39 1.53 0.00 -0.99 -0.65 119.26 121.04 1rr6 h ALA 262 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1rr6 h ALA 262 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1rr6 h ALA 262 CO 0.05 0.51 0.11 0.00 0.00 0.00 0.00 179.25 179.92 1rr6 h ALA 263 N 0.90 0.51 -0.95 0.00 0.00 -1.16 -2.29 119.26 116.27 1rr6 h ALA 263 Ca 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1rr6 h ALA 263 Cb 0.59 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1rr6 h ALA 263 CO 0.04 0.16 0.62 0.78 0.00 0.00 0.00 179.25 180.85 1rr6 h GLY 264 N 0.48 1.37 0.65 0.00 0.00 -1.19 -2.25 103.07 102.13 1rr6 h GLY 264 Ca 0.12 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 47.03 1rr6 h GLY 264 CO -0.00 0.41 0.22 1.70 0.00 0.00 0.00 176.54 178.87 1rr6 h LYS 265 N 1.20 0.41 -0.01 4.80 1.63 -0.57 -0.63 116.57 123.41 1rr6 h LYS 265 Ca 0.37 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 1rr6 h LYS 265 Cb -0.02 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1rr6 h LYS 265 CO -0.12 0.27 -0.03 1.96 -3.45 0.00 0.00 179.45 178.09 1rr6 h GLN 266 N 0.42 0.03 0.00 1.90 7.50 -1.19 -3.10 115.11 120.68 1rr6 h GLN 266 Ca 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.35 1rr6 h GLN 266 Cb 0.18 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.72 1rr6 h GLN 266 CO -0.19 0.70 0.00 0.00 -1.50 0.00 0.00 178.83 177.84 1rr6 n ALA 267 N -2.45 2.19 -0.36 3.87 0.00 -0.87 -4.26 120.51 118.63 1rr6 n ALA 267 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1rr6 n ALA 267 Cb 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1rr6 n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rr6 n ALA 268 N -0.88 -0.05 -0.21 0.00 0.00 -0.25 -1.23 120.51 117.89 1rr6 n ALA 268 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 1rr6 n ALA 268 Cb 0.05 0.35 0.02 0.00 0.00 0.00 0.00 19.45 19.87 1rr6 n ALA 268 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1rr6 h GLN 269 N 0.00 0.91 -0.88 0.00 -0.00 -1.83 -2.65 115.11 110.66 1rr6 h GLN 269 Ca 0.00 -0.20 0.21 0.00 -0.00 0.00 0.00 58.65 58.66 1rr6 h GLN 269 Cb 0.00 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.48 27.29 1rr6 h GLN 269 CO 0.00 0.82 0.59 -0.22 -0.00 0.00 0.00 178.83 180.02 1rr6 h LYS 270 N 0.82 0.32 -0.16 0.06 3.64 -1.78 0.74 116.57 120.21 1rr6 h LYS 270 Ca 0.19 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1rr6 h LYS 270 Cb 0.29 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1rr6 h LYS 270 CO -0.01 0.21 -0.11 1.25 -2.27 0.00 0.00 179.45 178.52 1rr6 h LEU 271 N 0.33 0.37 0.02 5.20 6.46 -0.82 -3.01 115.31 123.86 1rr6 h LEU 271 Ca 0.45 -0.45 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1rr6 h LEU 271 Cb 1.24 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 1rr6 h LEU 271 CO -0.14 0.74 -0.08 -0.33 -0.62 0.00 0.00 178.44 178.00 1rr6 h GLU 272 N 0.00 -0.15 -0.18 1.25 5.08 -0.68 -2.02 114.58 117.88 1rr6 h GLU 272 Ca 0.03 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1rr6 h GLU 272 Cb 0.61 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1rr6 h GLU 272 CO 0.03 -0.10 -0.40 1.96 -1.00 0.00 0.00 179.01 179.50 1rr6 h GLN 273 N -0.15 -0.43 -0.56 2.33 4.20 -1.30 0.69 115.11 119.88 1rr6 h GLN 273 Ca 0.03 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.88 1rr6 h GLN 273 Cb 0.18 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 27.97 1rr6 h GLN 273 CO -0.07 -0.29 0.04 0.35 -0.67 0.00 0.00 178.83 178.19 1rr6 h PHE 274 N -0.45 0.04 0.08 2.96 -0.00 -1.38 -0.96 116.94 117.24 1rr6 h PHE 274 Ca 0.09 0.04 -0.00 0.00 -0.00 0.00 0.00 57.97 58.10 1rr6 h PHE 274 Cb 0.61 0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.63 1rr6 h PHE 274 CO -0.50 -0.10 -0.04 0.28 -0.00 0.00 0.00 178.31 177.95 1rr6 h VAL 275 N 0.16 1.07 -0.45 1.41 2.07 -0.68 -2.39 116.25 117.44 1rr6 h VAL 275 Ca 0.29 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1rr6 h VAL 275 Cb 0.45 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1rr6 h VAL 275 CO -0.44 0.13 0.08 -1.28 0.02 0.00 0.00 177.57 176.08 1rr6 h SER 276 N -0.35 -0.02 -0.04 0.57 0.87 -0.53 -2.65 113.55 111.38 1rr6 h SER 276 Ca -0.01 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1rr6 h SER 276 Cb 0.30 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1rr6 h SER 276 CO 0.02 0.02 0.02 0.40 -0.53 0.00 0.00 176.83 176.76 1rr6 h ILE 277 N 0.21 1.12 -0.39 2.23 2.04 -1.19 -2.69 117.51 118.84 1rr6 h ILE 277 Ca 0.22 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.83 1rr6 h ILE 277 Cb 0.29 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1rr6 h ILE 277 CO -0.30 0.10 0.46 0.25 0.00 0.00 0.00 178.15 178.66 1rr6 h LEU 278 N -0.08 0.00 -1.66 1.44 5.85 -1.10 -0.73 115.31 119.03 1rr6 h LEU 278 Ca 0.01 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.96 1rr6 h LEU 278 Cb 0.15 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1rr6 h LEU 278 CO -0.00 0.00 0.61 0.24 -0.34 0.00 0.00 178.44 178.95 1rr6 h MET 279 N 0.00 0.26 0.00 1.25 2.86 -1.15 0.27 114.93 118.43 1rr6 h MET 279 Ca 0.18 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1rr6 h MET 279 Cb 1.11 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1rr6 h MET 279 CO -0.00 0.17 -0.14 0.00 1.06 0.00 0.00 176.91 178.00 1rr6 h ALA 280 N 1.60 1.04 0.00 6.32 0.00 -1.31 -2.85 119.26 124.06 1rr6 h ALA 280 Ca 0.46 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1rr6 h ALA 280 Cb 1.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1rr6 h ALA 280 CO -0.13 0.18 -0.26 0.77 0.00 0.00 0.00 179.25 179.80 1rr6 h SER 281 N 0.00 0.00 -2.67 0.00 0.02 -0.62 -3.44 113.55 106.83 1rr6 h SER 281 Ca -0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1rr6 h SER 281 Cb 0.62 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1rr6 h SER 281 CO 0.02 0.24 1.11 -0.63 -1.14 0.00 0.00 176.83 176.43 1rr6 s ILE 282 N -3.09 3.65 1.12 3.27 1.01 -1.08 -4.97 121.20 121.12 1rr6 s ILE 282 Ca 0.05 0.76 -0.13 0.00 0.00 0.00 0.00 60.65 61.33 1rr6 s ILE 282 Cb 0.06 -3.58 0.23 0.00 0.01 0.00 0.00 42.46 39.18 1rr6 s ILE 282 CO 0.71 -0.17 0.83 -0.81 0.00 0.00 0.00 174.94 175.50 1rr6 n PRO 283 N 7.39 -1.94 0.00 2.79 -0.04 -1.26 -5.05 135.00 136.89 1rr6 n PRO 283 Ca 0.18 -0.53 0.13 0.00 -0.04 0.00 0.00 63.50 63.24 1rr6 n PRO 283 Cb 0.44 -2.10 0.24 0.00 -0.04 0.00 0.00 33.50 32.03 1rr6 n PRO 283 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74