#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr9 s VAL 2 N 0.00 4.01 -0.05 2.53 1.01 -1.26 -5.00 120.40 121.63 1cr9 s VAL 2 Ca 0.00 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.15 1cr9 s VAL 2 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1cr9 s VAL 2 CO 0.00 -0.01 0.50 -0.69 0.00 0.00 0.00 175.10 174.90 1cr9 s VAL 3 N 2.43 5.06 -0.27 2.92 1.01 -1.26 -4.74 120.40 125.55 1cr9 s VAL 3 Ca 0.60 1.02 -0.05 0.00 0.00 0.00 0.00 61.98 63.55 1cr9 s VAL 3 Cb -0.27 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1cr9 s VAL 3 CO 0.23 0.41 0.02 -0.04 0.00 0.00 0.00 175.10 175.73 1cr9 s MET 4 N -0.02 3.12 -0.21 2.72 -1.94 -1.26 -0.86 119.30 120.84 1cr9 s MET 4 Ca 0.27 -0.82 -0.05 0.00 -1.71 0.00 0.00 55.69 53.39 1cr9 s MET 4 Cb -0.16 -3.21 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 1cr9 s MET 4 CO 0.13 -0.37 -0.02 0.99 -0.01 0.00 0.00 175.02 175.74 1cr9 s THR 5 N 1.46 3.68 -0.07 2.05 2.01 0.10 -4.07 115.64 120.80 1cr9 s THR 5 Ca 0.03 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1cr9 s THR 5 Cb -0.16 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1cr9 s THR 5 CO -0.00 0.42 -0.00 -1.10 -0.69 0.00 0.00 174.62 173.24 1cr9 s GLN 6 N 1.31 2.93 -0.03 4.92 -0.21 -1.26 -0.09 119.66 127.22 1cr9 s GLN 6 Ca 0.04 -0.45 -0.02 0.00 0.02 0.00 0.00 55.36 54.94 1cr9 s GLN 6 Cb -0.14 -2.76 0.02 0.00 1.00 0.00 0.00 33.01 31.13 1cr9 s GLN 6 CO -0.00 0.69 0.08 0.99 -2.12 0.00 0.00 175.29 174.92 1cr9 s THR 7 N -0.92 -0.02 0.88 -0.19 2.01 -0.30 -4.41 115.64 112.69 1cr9 s THR 7 Ca 0.14 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 1cr9 s THR 7 Cb -0.11 -0.13 0.12 0.00 0.01 0.00 0.00 72.50 72.39 1cr9 s THR 7 CO 0.04 0.04 1.18 -2.16 -0.69 0.00 0.00 174.62 173.02 1cr9 s PRO 8 N 0.51 1.37 0.02 4.92 0.04 -1.26 -0.39 135.00 140.21 1cr9 s PRO 8 Ca -0.04 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.13 1cr9 s PRO 8 Cb -0.06 -1.88 -0.25 0.00 0.04 0.00 0.00 34.50 32.35 1cr9 s PRO 8 CO -0.02 -2.00 0.91 -0.07 0.04 0.00 0.00 177.00 175.86 1cr9 h LEU 9 N -1.35 0.22 -8.12 -3.56 3.38 -1.85 -3.42 115.31 100.61 1cr9 h LEU 9 Ca -0.47 -0.31 -0.62 0.00 0.09 0.00 0.00 57.88 56.56 1cr9 h LEU 9 Cb 1.32 -0.07 -0.34 0.00 0.09 0.00 0.00 40.66 41.66 1cr9 h LEU 9 CO 0.60 1.26 -0.85 -0.44 0.09 0.00 0.00 178.44 179.10 1cr9 s SER 10 N -6.74 2.69 -0.22 -0.43 0.01 -1.26 -1.18 113.70 106.56 1cr9 s SER 10 Ca -0.06 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1cr9 s SER 10 Cb 0.08 -1.23 0.05 0.00 0.21 0.00 0.00 66.02 65.13 1cr9 s SER 10 CO 0.84 0.06 -0.08 -0.22 0.41 0.00 0.00 173.24 174.25 1cr9 s LEU 11 N 0.78 2.60 -0.23 2.44 2.96 0.12 -4.95 118.68 122.40 1cr9 s LEU 11 Ca -0.10 -1.09 -0.09 0.00 -0.22 0.00 0.00 54.13 52.63 1cr9 s LEU 11 Cb -0.16 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 1cr9 s LEU 11 CO 0.01 -0.19 0.11 -0.55 -1.32 0.00 0.00 176.35 174.41 1cr9 s SER 12 N 1.34 5.69 0.10 3.68 0.15 -1.26 -0.30 113.70 123.10 1cr9 s SER 12 Ca -0.04 -0.00 0.06 0.00 0.70 0.00 0.00 55.95 56.66 1cr9 s SER 12 Cb -0.18 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1cr9 s SER 12 CO -0.07 0.06 -0.15 -0.69 1.20 0.00 0.00 173.24 173.59 1cr9 s VAL 13 N 1.09 1.30 -0.03 4.45 1.01 -0.24 -4.92 120.40 123.06 1cr9 s VAL 13 Ca 0.06 -1.52 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 1cr9 s VAL 13 Cb -0.14 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1cr9 s VAL 13 CO 0.04 -0.28 0.38 -0.89 0.00 0.00 0.00 175.10 174.34 1cr9 s THR 14 N -1.64 5.11 0.26 3.92 2.01 -1.26 0.01 115.64 124.05 1cr9 s THR 14 Ca 0.04 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.51 1cr9 s THR 14 Cb -0.08 -3.68 -0.14 0.00 0.01 0.00 0.00 72.50 68.61 1cr9 s THR 14 CO 0.03 0.55 1.12 -0.38 -0.69 0.00 0.00 174.62 175.25 1cr9 n ILE 15 N 2.09 1.61 0.00 1.82 2.08 -1.26 -1.46 119.36 124.24 1cr9 n ILE 15 Ca -0.14 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 62.77 1cr9 n ILE 15 Cb 0.53 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.34 1cr9 n ILE 15 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1cr9 n GLY 16 N 1.48 2.69 3.84 7.39 0.00 -0.18 -4.96 105.19 115.46 1cr9 n GLY 16 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1cr9 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cr9 s GLN 17 N -0.52 4.05 0.77 1.61 -1.52 -0.54 -4.43 119.66 119.08 1cr9 s GLN 17 Ca 0.00 0.91 -0.12 0.00 -1.95 0.00 0.00 55.36 54.20 1cr9 s GLN 17 Cb 0.00 -2.24 0.06 0.00 -0.22 0.00 0.00 33.01 30.61 1cr9 s GLN 17 CO 0.00 -0.07 1.11 -1.25 -0.25 0.00 0.00 175.29 174.83 1cr9 s PRO 18 N -3.51 2.28 0.06 2.91 0.04 -1.25 -1.30 135.00 134.24 1cr9 s PRO 18 Ca 0.58 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 1cr9 s PRO 18 Cb -0.10 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1cr9 s PRO 18 CO 0.22 -1.45 0.30 0.00 0.04 0.00 0.00 177.00 176.11 1cr9 s ALA 19 N -3.29 -0.64 -0.10 8.56 0.00 -0.27 -4.90 121.76 121.13 1cr9 s ALA 19 Ca 0.60 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1cr9 s ALA 19 Cb -0.13 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.43 1cr9 s ALA 19 CO 0.53 -0.45 0.21 0.45 0.00 0.00 0.00 175.76 176.49 1cr9 s SER 20 N -2.27 -0.04 -0.18 0.00 0.15 -1.26 -1.27 113.70 108.82 1cr9 s SER 20 Ca -0.03 0.46 -0.02 0.00 0.70 0.00 0.00 55.95 57.06 1cr9 s SER 20 Cb 0.00 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1cr9 s SER 20 CO -0.06 -0.18 -0.10 -0.63 1.20 0.00 0.00 173.24 173.48 1cr9 s ILE 21 N 1.50 3.07 -0.04 6.45 1.01 0.34 -4.66 121.20 128.87 1cr9 s ILE 21 Ca -0.07 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 1cr9 s ILE 21 Cb -0.11 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1cr9 s ILE 21 CO -0.08 0.47 0.28 -0.44 0.00 0.00 0.00 174.94 175.18 1cr9 s SER 22 N 1.08 6.58 -0.11 3.58 0.01 0.48 -1.30 113.70 124.02 1cr9 s SER 22 Ca 0.00 0.69 -0.01 0.00 1.31 0.00 0.00 55.95 57.95 1cr9 s SER 22 Cb -0.15 -2.15 0.03 0.00 0.21 0.00 0.00 66.02 63.97 1cr9 s SER 22 CO -0.02 0.33 -0.03 0.00 0.41 0.00 0.00 173.24 173.93 1cr9 s LYS 24 N 1.83 3.09 0.02 0.00 1.02 0.87 -1.20 119.74 125.37 1cr9 s LYS 24 Ca 0.04 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.40 1cr9 s LYS 24 Cb -0.13 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1cr9 s LYS 24 CO -0.07 0.40 0.01 -1.54 -0.92 0.00 0.00 175.35 173.23 1cr9 s SER 25 N -0.12 5.19 0.17 2.83 1.04 -0.74 0.01 113.70 122.08 1cr9 s SER 25 Ca -0.01 -0.02 0.18 0.00 0.48 0.00 0.00 55.95 56.58 1cr9 s SER 25 Cb -0.14 -1.35 0.81 0.00 0.10 0.00 0.00 66.02 65.45 1cr9 s SER 25 CO 0.03 0.25 1.56 -1.54 0.98 0.00 0.00 173.24 174.52 1cr9 n SER 26 N 1.16 0.40 -3.92 7.02 3.41 -0.04 -4.73 113.62 116.93 1cr9 n SER 26 Ca -0.13 0.62 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 1cr9 n SER 26 Cb 0.52 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.71 1cr9 n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cr9 s GLN 27 N -3.24 1.04 0.00 4.33 -0.21 -1.26 -4.94 119.66 115.38 1cr9 s GLN 27 Ca 0.03 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.32 1cr9 s GLN 27 Cb 0.08 0.37 0.00 0.00 1.00 0.00 0.00 33.01 34.45 1cr9 s GLN 27 CO 0.28 -0.37 0.00 0.45 -2.12 0.00 0.00 175.29 173.53 1cr9 n SER 27 N -0.16 -0.45 -1.93 5.90 2.88 -1.26 -4.72 113.62 113.87 1cr9 n SER 27 Ca -0.10 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1cr9 n SER 27 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1cr9 n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1cr9 n LEU 27 N 0.00 -5.56 -4.90 2.46 7.94 -1.26 -4.97 117.00 110.72 1cr9 n LEU 27 Ca 0.00 2.54 -0.28 0.00 -1.11 0.00 0.00 56.01 57.15 1cr9 n LEU 27 Cb 0.00 -2.81 -0.01 0.00 0.53 0.00 0.00 43.42 41.13 1cr9 n LEU 27 CO 0.00 -1.87 0.43 -0.62 -1.11 0.00 0.00 177.39 174.22 1cr9 s ASP 27 N -0.45 6.36 0.31 1.96 2.15 0.26 -4.97 116.67 122.28 1cr9 s ASP 27 Ca 0.00 0.98 0.06 0.00 0.43 0.00 0.00 52.55 54.02 1cr9 s ASP 27 Cb 0.00 -2.27 0.73 0.00 -0.30 0.00 0.00 42.92 41.08 1cr9 s ASP 27 CO 0.00 -0.49 1.80 0.77 -0.17 0.00 0.00 175.17 177.07 1cr9 h SER 27 N 0.66 0.79 0.00 -0.34 4.64 -1.98 -0.51 113.55 116.81 1cr9 h SER 27 Ca -0.47 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1cr9 h SER 27 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1cr9 h SER 27 CO 0.63 0.32 0.00 -0.90 -0.87 0.00 0.00 176.83 176.00 1cr9 n ASP 28 N -4.71 0.42 0.00 4.97 5.68 -1.26 -4.77 116.55 116.88 1cr9 n ASP 28 Ca 0.22 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 1cr9 n ASP 28 Cb 0.53 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1cr9 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cr9 n GLY 29 N 0.23 1.95 3.93 6.12 0.00 -0.20 -4.98 105.19 112.23 1cr9 n GLY 29 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1cr9 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cr9 s LYS 30 N 0.00 3.46 -0.21 1.61 1.02 -1.26 -4.79 119.74 119.58 1cr9 s LYS 30 Ca 0.00 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 55.86 1cr9 s LYS 30 Cb 0.00 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1cr9 s LYS 30 CO 0.00 -0.04 -0.15 0.99 -0.92 0.00 0.00 175.35 175.23 1cr9 s THR 31 N -2.51 2.23 -1.14 2.17 2.01 -1.26 -0.58 115.64 116.56 1cr9 s THR 31 Ca 0.44 -1.12 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 1cr9 s THR 31 Cb -0.10 -2.06 0.18 0.00 0.01 0.00 0.00 72.50 70.53 1cr9 s THR 31 CO 0.40 0.34 1.33 -0.31 -0.69 0.00 0.00 174.62 175.69 1cr9 s TYR 32 N 1.25 3.55 -0.09 4.92 1.51 -1.26 -4.04 117.35 123.20 1cr9 s TYR 32 Ca 0.01 -2.10 0.01 0.00 -1.01 0.00 0.00 57.07 53.98 1cr9 s TYR 32 Cb -0.15 -4.23 0.02 0.00 -0.11 0.00 0.00 41.96 37.48 1cr9 s TYR 32 CO -0.10 -1.34 -0.10 -1.17 -1.11 0.00 0.00 175.55 171.74 1cr9 s LEU 33 N 1.33 1.41 0.16 -1.29 1.98 -1.26 -1.04 118.68 119.97 1cr9 s LEU 33 Ca 0.39 -0.29 0.07 0.00 -2.89 0.00 0.00 54.13 51.41 1cr9 s LEU 33 Cb -0.04 -0.82 -0.04 0.00 0.66 0.00 0.00 46.19 45.95 1cr9 s LEU 33 CO -0.03 -0.05 -0.16 0.27 -1.89 0.00 0.00 176.35 174.50 1cr9 s ILE 34 N 1.19 1.62 -0.14 6.68 -4.36 -0.32 -0.98 121.20 124.90 1cr9 s ILE 34 Ca -0.05 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1cr9 s ILE 34 Cb -0.14 -1.80 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 1cr9 s ILE 34 CO -0.02 -0.43 -0.15 0.26 0.24 0.00 0.00 174.94 174.84 1cr9 s TRP 35 N -2.35 2.78 0.04 1.37 0.52 -0.35 -0.60 118.94 120.35 1cr9 s TRP 35 Ca 0.15 -0.86 0.08 0.00 0.02 0.00 0.00 56.10 55.49 1cr9 s TRP 35 Cb -0.04 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1cr9 s TRP 35 CO 0.05 -0.35 -0.20 0.08 0.02 0.00 0.00 176.95 176.55 1cr9 s VAL 36 N 0.57 2.62 0.01 4.03 1.01 0.06 -0.59 120.40 128.10 1cr9 s VAL 36 Ca -0.09 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 60.72 1cr9 s VAL 36 Cb -0.16 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1cr9 s VAL 36 CO 0.03 0.34 -0.24 0.12 0.00 0.00 0.00 175.10 175.36 1cr9 s PHE 37 N -0.89 2.11 -0.08 5.22 5.36 0.44 -0.49 117.98 129.65 1cr9 s PHE 37 Ca 0.14 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 55.68 1cr9 s PHE 37 Cb -0.10 -1.32 0.04 0.00 -0.34 0.00 0.00 43.02 41.30 1cr9 s PHE 37 CO 0.04 0.03 0.17 -1.14 -1.46 0.00 0.00 175.22 172.87 1cr9 s GLN 38 N -0.84 0.10 0.10 10.12 0.74 0.13 -0.70 119.66 129.31 1cr9 s GLN 38 Ca 0.09 0.47 -0.13 0.00 0.05 0.00 0.00 55.36 55.84 1cr9 s GLN 38 Cb -0.09 -0.18 -0.06 0.00 1.10 0.00 0.00 33.01 33.77 1cr9 s GLN 38 CO 0.00 -0.20 0.49 0.50 -0.55 0.00 0.00 175.29 175.53 1cr9 s ARG 39 N 1.52 3.93 0.27 1.67 3.52 -1.26 -0.72 118.95 127.87 1cr9 s ARG 39 Ca -0.06 0.41 -0.31 0.00 -0.13 0.00 0.00 55.73 55.65 1cr9 s ARG 39 Cb -0.12 -3.02 -0.12 0.00 -1.56 0.00 0.00 34.95 30.13 1cr9 s ARG 39 CO -0.07 0.55 1.55 -2.30 -0.81 0.00 0.00 175.30 174.23 1cr9 n PRO 40 N 1.06 2.52 -2.50 5.12 -0.02 -1.26 -2.86 135.00 137.07 1cr9 n PRO 40 Ca -0.08 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.23 1cr9 n PRO 40 Cb 0.52 -2.65 0.01 0.00 -0.02 0.00 0.00 33.50 31.36 1cr9 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cr9 n GLY 41 N 2.29 0.30 3.44 -1.23 0.00 -1.26 -5.04 105.19 103.70 1cr9 n GLY 41 Ca 0.10 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1cr9 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cr9 s GLN 42 N -4.89 1.30 0.35 1.61 -0.21 -1.13 -5.14 119.66 111.54 1cr9 s GLN 42 Ca 0.10 -1.07 -0.27 0.00 0.02 0.00 0.00 55.36 54.14 1cr9 s GLN 42 Cb -0.04 0.44 -0.09 0.00 1.00 0.00 0.00 33.01 34.32 1cr9 s GLN 42 CO 0.12 -0.52 1.15 -1.12 -2.12 0.00 0.00 175.29 172.80 1cr9 s SER 43 N -2.94 6.82 0.96 5.90 0.01 -1.26 -4.70 113.70 118.49 1cr9 s SER 43 Ca 0.15 2.32 -0.10 0.00 1.31 0.00 0.00 55.95 59.62 1cr9 s SER 43 Cb 0.01 -2.62 0.17 0.00 0.21 0.00 0.00 66.02 63.80 1cr9 s SER 43 CO 0.00 -0.46 1.13 -2.84 0.41 0.00 0.00 173.24 171.48 1cr9 s PRO 44 N -2.00 0.65 0.01 12.44 0.02 -1.26 -4.70 135.00 140.15 1cr9 s PRO 44 Ca 0.52 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1cr9 s PRO 44 Cb -0.31 -1.69 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 1cr9 s PRO 44 CO 0.39 -2.85 -0.02 0.21 -0.33 0.00 0.00 177.00 174.41 1cr9 s LYS 45 N -4.61 0.16 0.13 5.54 2.20 0.12 -4.98 119.74 118.30 1cr9 s LYS 45 Ca 0.67 -0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 55.91 1cr9 s LYS 45 Cb -0.23 -0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 35.99 1cr9 s LYS 45 CO 0.59 0.00 0.53 0.50 -0.36 0.00 0.00 175.35 176.61 1cr9 s ARG 46 N -0.50 3.97 -0.12 4.03 3.52 -1.26 -0.42 118.95 128.18 1cr9 s ARG 46 Ca -0.05 0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 55.99 1cr9 s ARG 46 Cb -0.03 -2.97 -0.06 0.00 -1.56 0.00 0.00 34.95 30.32 1cr9 s ARG 46 CO -0.00 0.51 -0.14 1.28 -0.81 0.00 0.00 175.30 176.13 1cr9 n LEU 47 N 0.93 1.44 -4.04 -0.88 4.77 0.24 -4.82 117.00 114.64 1cr9 n LEU 47 Ca -0.06 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.82 1cr9 n LEU 47 Cb 0.52 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 1cr9 n LEU 47 CO 0.42 0.37 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.78 1cr9 s ILE 48 N -2.22 0.79 0.15 -0.08 -1.09 -1.13 -0.96 121.20 116.65 1cr9 s ILE 48 Ca -0.16 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 57.81 1cr9 s ILE 48 Cb 0.06 -0.67 -0.04 0.00 -1.58 0.00 0.00 42.46 40.22 1cr9 s ILE 48 CO 0.23 0.18 -0.10 0.72 -1.23 0.00 0.00 174.94 174.73 1cr9 s PHE 49 N -0.32 1.27 -1.41 3.97 -0.12 0.25 -1.21 117.98 120.41 1cr9 s PHE 49 Ca 0.03 -0.75 -0.04 0.00 -0.05 0.00 0.00 56.93 56.12 1cr9 s PHE 49 Cb -0.04 -0.64 0.03 0.00 -0.63 0.00 0.00 43.02 41.73 1cr9 s PHE 49 CO -0.00 0.09 0.65 1.28 -0.05 0.00 0.00 175.22 177.19 1cr9 n LEU 50 N -0.18 -2.59 0.00 -1.99 4.77 -0.93 -0.83 117.00 115.25 1cr9 n LEU 50 Ca -0.10 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1cr9 n LEU 50 Cb 0.61 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.25 1cr9 n LEU 50 CO 0.32 0.42 0.00 0.52 -1.33 0.00 0.00 177.39 177.32 1cr9 n VAL 51 N -4.40 0.00 -0.67 4.08 0.31 -0.15 -3.90 118.33 113.60 1cr9 n VAL 51 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1cr9 n VAL 51 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1cr9 n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1cr9 n SER 52 N 1.40 0.38 -4.64 4.52 3.41 -1.19 -3.44 113.62 114.05 1cr9 n SER 52 Ca 0.00 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 57.14 1cr9 n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1cr9 n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1cr9 s LYS 53 N -0.05 4.19 0.15 4.33 1.02 -0.01 -4.62 119.74 124.74 1cr9 s LYS 53 Ca 0.00 0.98 -0.30 0.00 0.02 0.00 0.00 55.97 56.67 1cr9 s LYS 53 Cb 0.00 -3.65 -0.07 0.00 -0.52 0.00 0.00 37.83 33.60 1cr9 s LYS 53 CO 0.00 -0.53 1.03 0.50 -0.92 0.00 0.00 175.35 175.43 1cr9 s ARG 54 N 2.88 4.65 0.78 1.68 3.52 -1.26 -0.59 118.95 130.61 1cr9 s ARG 54 Ca 0.36 1.59 -0.11 0.00 -0.13 0.00 0.00 55.73 57.44 1cr9 s ARG 54 Cb -0.15 -3.32 0.06 0.00 -1.56 0.00 0.00 34.95 29.98 1cr9 s ARG 54 CO 0.07 0.15 1.09 -0.51 -0.81 0.00 0.00 175.30 175.29 1cr9 s ASP 55 N -0.09 4.59 0.27 -2.12 1.01 -0.14 -4.95 116.67 115.25 1cr9 s ASP 55 Ca 0.48 1.48 -0.30 0.00 0.71 0.00 0.00 52.55 54.92 1cr9 s ASP 55 Cb -0.27 -2.24 -0.11 0.00 1.01 0.00 0.00 42.92 41.32 1cr9 s ASP 55 CO 0.32 -1.93 1.52 -0.44 0.21 0.00 0.00 175.17 174.85 1cr9 s SER 56 N -3.75 6.51 0.00 0.27 0.01 -1.26 -2.36 113.70 113.12 1cr9 s SER 56 Ca 0.60 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.68 1cr9 s SER 56 Cb -0.15 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1cr9 s SER 56 CO 0.55 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1cr9 n GLY 57 N 2.14 2.77 3.67 3.44 0.00 -1.26 -5.01 105.19 110.94 1cr9 n GLY 57 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1cr9 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cr9 s VAL 58 N -2.00 4.28 0.48 1.61 1.01 -0.99 -4.97 120.40 119.81 1cr9 s VAL 58 Ca 0.00 1.56 -0.23 0.00 0.00 0.00 0.00 61.98 63.31 1cr9 s VAL 58 Cb 0.00 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1cr9 s VAL 58 CO 0.00 -0.10 1.08 -2.65 0.00 0.00 0.00 175.10 173.43 1cr9 n PRO 59 N 6.23 1.38 0.00 2.72 -0.02 -1.26 -4.86 135.00 139.20 1cr9 n PRO 59 Ca 0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1cr9 n PRO 59 Cb 0.45 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1cr9 n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1cr9 n ASP 60 N -0.01 0.66 0.18 2.55 5.75 -1.26 -2.53 116.55 121.89 1cr9 n ASP 60 Ca 0.10 -1.60 0.12 0.00 -0.01 0.00 0.00 54.79 53.40 1cr9 n ASP 60 Cb 0.42 -0.33 0.22 0.00 -1.03 0.00 0.00 41.12 40.39 1cr9 n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1cr9 h ARG 61 N 0.16 0.00 -5.43 0.11 3.08 -1.93 -3.45 114.38 106.93 1cr9 h ARG 61 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1cr9 h ARG 61 Cb 0.33 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.27 1cr9 h ARG 61 CO 0.00 0.00 -0.20 -0.06 -1.07 0.00 0.00 179.97 178.64 1cr9 s PHE 62 N -3.19 3.38 -0.08 3.04 0.40 -1.05 -0.81 117.98 119.66 1cr9 s PHE 62 Ca 0.07 0.62 0.01 0.00 -0.60 0.00 0.00 56.93 57.04 1cr9 s PHE 62 Cb 0.07 -2.52 0.02 0.00 0.51 0.00 0.00 43.02 41.10 1cr9 s PHE 62 CO 0.66 -0.00 -0.09 0.99 0.70 0.00 0.00 175.22 177.48 1cr9 s THR 63 N 1.28 1.01 -0.01 0.64 2.01 -0.13 -4.98 115.64 115.46 1cr9 s THR 63 Ca 0.19 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1cr9 s THR 63 Cb -0.15 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1cr9 s THR 63 CO 0.08 0.34 0.02 -0.83 -0.69 0.00 0.00 174.62 173.54 1cr9 s GLY 64 N 1.08 1.90 0.27 4.40 0.00 -1.26 -0.64 107.32 113.07 1cr9 s GLY 64 Ca -0.07 -0.92 -0.19 0.00 0.00 0.00 0.00 44.72 43.54 1cr9 s GLY 64 CO -0.01 -0.77 0.67 -1.35 0.00 0.00 0.00 173.10 171.64 1cr9 s SER 65 N -1.50 -0.23 0.00 1.64 1.04 -0.46 -4.28 113.70 109.91 1cr9 s SER 65 Ca 0.19 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1cr9 s SER 65 Cb -0.12 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1cr9 s SER 65 CO 0.10 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1cr9 n GLY 66 N -0.45 1.22 3.51 7.32 0.00 -1.26 -1.03 105.19 114.51 1cr9 n GLY 66 Ca -0.04 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 1cr9 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cr9 s SER 67 N 0.00 -0.40 0.39 1.61 1.04 -0.91 -4.97 113.70 110.47 1cr9 s SER 67 Ca 0.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1cr9 s SER 67 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1cr9 s SER 67 CO 0.00 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1cr9 n GLY 68 N 0.01 0.95 0.00 7.32 0.00 -1.26 -2.02 105.19 110.19 1cr9 n GLY 68 Ca -0.10 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1cr9 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cr9 n THR 69 N 0.00 0.00 -4.05 2.61 -2.24 -1.26 -4.35 114.28 104.99 1cr9 n THR 69 Ca 0.00 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.97 1cr9 n THR 69 Cb 0.00 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.08 1cr9 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1cr9 s ASP 70 N -0.09 3.45 0.11 3.42 1.01 -0.86 -1.79 116.67 121.93 1cr9 s ASP 70 Ca 0.00 -0.88 0.07 0.00 0.71 0.00 0.00 52.55 52.45 1cr9 s ASP 70 Cb 0.00 -1.36 -0.03 0.00 1.01 0.00 0.00 42.92 42.54 1cr9 s ASP 70 CO 0.00 -0.10 -0.18 -0.36 0.21 0.00 0.00 175.17 174.73 1cr9 s PHE 71 N 1.32 1.61 0.00 4.23 0.40 -0.34 -2.13 117.98 123.07 1cr9 s PHE 71 Ca -0.00 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1cr9 s PHE 71 Cb -0.16 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 1cr9 s PHE 71 CO -0.09 0.18 -0.04 0.99 0.70 0.00 0.00 175.22 176.96 1cr9 s THR 72 N -1.43 0.32 -0.19 0.64 2.01 -0.20 -0.64 115.64 116.15 1cr9 s THR 72 Ca 0.06 -0.29 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 1cr9 s THR 72 Cb -0.09 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.14 1cr9 s THR 72 CO 0.04 0.01 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.60 1cr9 s LEU 73 N -0.30 2.32 -0.04 4.42 2.96 -0.42 -1.36 118.68 126.26 1cr9 s LEU 73 Ca -0.00 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1cr9 s LEU 73 Cb -0.03 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1cr9 s LEU 73 CO -0.00 0.00 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.35 1cr9 s LYS 74 N 1.30 2.50 -0.27 1.98 1.02 0.18 -0.51 119.74 125.94 1cr9 s LYS 74 Ca 0.04 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1cr9 s LYS 74 Cb -0.13 -2.39 0.05 0.00 -0.52 0.00 0.00 37.83 34.84 1cr9 s LYS 74 CO -0.10 0.62 -0.06 0.42 -0.92 0.00 0.00 175.35 175.31 1cr9 s ILE 75 N -0.76 2.62 0.45 2.17 1.01 -0.40 -0.95 121.20 125.34 1cr9 s ILE 75 Ca 0.12 -1.41 0.12 0.00 0.00 0.00 0.00 60.65 59.48 1cr9 s ILE 75 Cb -0.11 -2.48 0.23 0.00 0.01 0.00 0.00 42.46 40.11 1cr9 s ILE 75 CO 0.01 -0.01 2.05 0.77 0.00 0.00 0.00 174.94 177.76 1cr9 h SER 76 N 7.91 0.16 -1.57 3.58 4.64 -1.26 -0.69 113.55 126.32 1cr9 h SER 76 Ca -0.23 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 1cr9 h SER 76 Cb 1.06 -0.04 -0.21 0.00 -0.31 0.00 0.00 62.40 62.90 1cr9 h SER 76 CO 0.51 0.20 -0.23 -0.60 -0.87 0.00 0.00 176.83 175.85 1cr9 s ARG 77 N -5.02 0.55 0.15 4.77 3.52 -1.26 -3.78 118.95 117.88 1cr9 s ARG 77 Ca -0.06 1.18 -0.30 0.00 -0.13 0.00 0.00 55.73 56.43 1cr9 s ARG 77 Cb 0.17 0.63 -0.07 0.00 -1.56 0.00 0.00 34.95 34.12 1cr9 s ARG 77 CO 0.70 -0.42 1.10 0.08 -0.81 0.00 0.00 175.30 175.96 1cr9 s VAL 78 N 2.85 3.97 0.34 7.11 1.01 -0.42 -4.86 120.40 130.41 1cr9 s VAL 78 Ca 0.07 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.79 1cr9 s VAL 78 Cb -0.14 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1cr9 s VAL 78 CO -0.19 0.25 -0.02 -1.61 0.00 0.00 0.00 175.10 173.53 1cr9 s GLU 79 N -0.09 1.99 0.25 2.72 2.02 -1.26 -1.01 118.70 123.32 1cr9 s GLU 79 Ca 0.51 -1.81 -0.03 0.00 0.02 0.00 0.00 54.97 53.65 1cr9 s GLU 79 Cb -0.29 -1.85 0.49 0.00 0.10 0.00 0.00 34.13 32.58 1cr9 s GLU 79 CO 0.33 0.14 1.73 0.00 0.02 0.00 0.00 175.26 177.48 1cr9 h ALA 80 N 1.88 1.10 0.00 5.21 0.00 -1.89 -1.95 119.26 123.61 1cr9 h ALA 80 Ca -0.43 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1cr9 h ALA 80 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1cr9 h ALA 80 CO 0.68 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 180.10 1cr9 n GLU 81 N -5.00 0.03 0.00 0.00 4.71 -0.98 -3.07 120.64 116.34 1cr9 n GLU 81 Ca 0.15 0.29 0.11 0.00 -0.01 0.00 0.00 57.16 57.70 1cr9 n GLU 81 Cb 0.44 -1.50 0.55 0.00 -1.01 0.00 0.00 31.44 29.92 1cr9 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1cr9 n ASP 82 N -1.45 0.00 -4.73 1.62 8.00 -0.73 -4.85 116.55 114.40 1cr9 n ASP 82 Ca 0.03 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 1cr9 n ASP 82 Cb 0.12 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 1cr9 n ASP 82 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1cr9 s VAL 83 N -2.69 2.43 -5.00 2.53 -7.23 -1.17 -4.85 120.40 104.41 1cr9 s VAL 83 Ca 0.19 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 1cr9 s VAL 83 Cb 0.15 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1cr9 s VAL 83 CO 0.37 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 1cr9 n GLY 84 N 3.01 -0.46 3.58 2.32 0.00 -1.17 -4.79 105.19 107.68 1cr9 n GLY 84 Ca 0.11 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1cr9 n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cr9 s VAL 85 N -2.78 3.95 -0.11 1.61 1.01 0.10 -0.91 120.40 123.27 1cr9 s VAL 85 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1cr9 s VAL 85 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1cr9 s VAL 85 CO 0.00 0.56 -0.11 -0.31 0.00 0.00 0.00 175.10 175.24 1cr9 s TYR 86 N -0.35 2.85 0.01 5.22 1.51 -0.44 -0.69 117.35 125.47 1cr9 s TYR 86 Ca 0.06 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 1cr9 s TYR 86 Cb -0.12 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1cr9 s TYR 86 CO 0.02 -0.03 -0.16 0.71 -1.11 0.00 0.00 175.55 174.98 1cr9 s TYR 87 N -0.00 1.45 -0.02 2.71 1.51 0.36 -0.64 117.35 122.72 1cr9 s TYR 87 Ca -0.02 -0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1cr9 s TYR 87 Cb -0.14 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 1cr9 s TYR 87 CO 0.04 0.01 0.11 0.00 -1.11 0.00 0.00 175.55 174.60 1cr9 s TRP 89 N -1.21 -0.11 -0.09 0.00 -0.11 0.23 -0.52 118.94 117.13 1cr9 s TRP 89 Ca 0.23 0.38 -0.02 0.00 1.22 0.00 0.00 56.10 57.91 1cr9 s TRP 89 Cb -0.12 -0.13 -0.03 0.00 -1.50 0.00 0.00 33.47 31.69 1cr9 s TRP 89 CO 0.14 -0.14 -0.02 1.14 -4.62 0.00 0.00 176.95 173.45 1cr9 s GLN 90 N 1.12 3.06 0.00 5.86 1.03 -0.08 -1.17 119.66 129.49 1cr9 s GLN 90 Ca -0.09 -0.45 0.01 0.00 0.04 0.00 0.00 55.36 54.87 1cr9 s GLN 90 Cb -0.12 -2.78 0.02 0.00 0.03 0.00 0.00 33.01 30.16 1cr9 s GLN 90 CO -0.05 0.62 0.92 0.41 -2.54 0.00 0.00 175.29 174.64 1cr9 n GLY 91 N 2.40 2.08 0.21 2.60 0.00 -0.21 -2.30 105.19 109.97 1cr9 n GLY 91 Ca -0.18 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1cr9 n GLY 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cr9 h THR 92 N 0.14 1.30 -3.28 2.61 2.02 -1.95 -3.46 112.91 110.30 1cr9 h THR 92 Ca 0.00 -1.84 -0.64 0.00 0.77 0.00 0.00 66.41 64.70 1cr9 h THR 92 Cb 0.42 1.94 -0.12 0.00 -1.74 0.00 0.00 68.15 68.64 1cr9 h THR 92 CO 0.00 0.58 -0.67 -1.00 0.37 0.00 0.00 175.52 174.80 1cr9 s HIS 93 N -3.86 2.92 -0.10 3.16 3.76 -1.26 -5.01 115.29 114.89 1cr9 s HIS 93 Ca -0.11 -0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.59 1cr9 s HIS 93 Cb 0.08 -1.49 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 1cr9 s HIS 93 CO 0.88 0.48 0.32 0.12 -0.85 0.00 0.00 174.74 175.68 1cr9 s PHE 94 N -1.38 3.57 0.54 1.40 5.36 -1.26 -2.96 117.98 123.24 1cr9 s PHE 94 Ca 0.25 0.73 -0.18 0.00 -0.96 0.00 0.00 56.93 56.77 1cr9 s PHE 94 Cb -0.11 -2.28 -0.06 0.00 -0.34 0.00 0.00 43.02 40.23 1cr9 s PHE 94 CO 0.18 0.43 1.05 -1.25 -1.46 0.00 0.00 175.22 174.17 1cr9 s PRO 95 N -0.21 3.55 0.26 10.12 0.04 -1.26 -4.88 135.00 142.62 1cr9 s PRO 95 Ca 0.19 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1cr9 s PRO 95 Cb -0.14 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1cr9 s PRO 95 CO 0.07 -0.63 1.48 -1.01 0.04 0.00 0.00 177.00 176.95 1cr9 s HIS 95 N -2.19 2.94 0.26 0.56 3.76 -1.16 -4.73 115.29 114.74 1cr9 s HIS 95 Ca 0.66 0.96 0.10 0.00 -0.15 0.00 0.00 55.06 56.63 1cr9 s HIS 95 Cb -0.17 -3.89 -0.05 0.00 1.11 0.00 0.00 32.58 29.58 1cr9 s HIS 95 CO 0.28 -2.93 -0.17 0.95 -0.85 0.00 0.00 174.74 172.03 1cr9 s THR 96 N -0.01 2.15 0.06 1.30 -4.23 -0.97 -4.98 115.64 108.96 1cr9 s THR 96 Ca 0.60 -2.31 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 1cr9 s THR 96 Cb -0.44 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1cr9 s THR 96 CO 0.45 -0.46 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.24 1cr9 s VAL 97 N -2.71 1.08 0.79 2.29 1.01 -1.26 -0.90 120.40 120.71 1cr9 s VAL 97 Ca 0.27 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1cr9 s VAL 97 Cb -0.03 -1.03 0.07 0.00 0.00 0.00 0.00 36.38 35.39 1cr9 s VAL 97 CO 0.12 -0.15 1.09 -0.83 0.00 0.00 0.00 175.10 175.32 1cr9 s GLY 99 N -1.53 1.63 0.29 4.51 0.00 0.32 -4.59 107.32 107.96 1cr9 s GLY 99 Ca -0.01 -0.09 0.23 0.00 0.00 0.00 0.00 44.72 44.85 1cr9 s GLY 99 CO 0.02 0.31 1.71 0.61 0.00 0.00 0.00 173.10 175.75 1cr9 n GLY 100 N -1.86 -1.14 0.00 0.20 0.00 -1.26 -4.74 105.19 96.39 1cr9 n GLY 100 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1cr9 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr9 n GLY 101 N -0.46 1.21 3.01 -0.02 0.00 -1.26 -5.02 105.19 102.64 1cr9 n GLY 101 Ca 0.01 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1cr9 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cr9 s THR 102 N -2.10 1.60 -0.23 2.61 2.01 0.19 -4.72 115.64 115.00 1cr9 s THR 102 Ca 0.00 -0.81 -0.22 0.00 0.31 0.00 0.00 61.69 60.98 1cr9 s THR 102 Cb 0.00 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1cr9 s THR 102 CO 0.00 0.32 0.68 -0.75 -0.69 0.00 0.00 174.62 174.18 1cr9 s LYS 103 N 1.45 4.17 -0.19 4.92 2.20 -0.32 -1.32 119.74 130.64 1cr9 s LYS 103 Ca 0.02 0.67 -0.11 0.00 -0.36 0.00 0.00 55.97 56.19 1cr9 s LYS 103 Cb -0.14 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 1cr9 s LYS 103 CO -0.10 -0.37 0.18 -1.17 -0.36 0.00 0.00 175.35 173.54 1cr9 s LEU 104 N 2.33 4.22 0.02 5.43 0.20 -0.09 -0.70 118.68 130.10 1cr9 s LEU 104 Ca 0.29 0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.46 1cr9 s LEU 104 Cb -0.16 -2.17 -0.02 0.00 -0.43 0.00 0.00 46.19 43.41 1cr9 s LEU 104 CO 0.09 0.15 -0.12 -1.83 -0.29 0.00 0.00 176.35 174.36 1cr9 s GLU 105 N 0.41 0.83 -0.08 1.98 -1.05 0.59 -3.03 118.70 118.36 1cr9 s GLU 105 Ca 0.10 -0.62 -0.19 0.00 -0.15 0.00 0.00 54.97 54.11 1cr9 s GLU 105 Cb -0.12 -0.80 -0.04 0.00 -0.44 0.00 0.00 34.13 32.73 1cr9 s GLU 105 CO -0.00 0.20 0.53 0.42 0.95 0.00 0.00 175.26 177.36 1cr9 s ILE 106 N -0.71 5.10 -0.42 1.83 1.09 -1.26 -1.08 121.20 125.74 1cr9 s ILE 106 Ca 0.01 1.07 -0.21 0.00 -1.10 0.00 0.00 60.65 60.42 1cr9 s ILE 106 Cb -0.07 -3.86 0.02 0.00 -1.06 0.00 0.00 42.46 37.49 1cr9 s ILE 106 CO 0.01 0.36 0.64 0.00 -0.10 0.00 0.00 174.94 175.84 1cr9 s ALA 106 N 0.34 3.37 0.47 9.38 0.00 0.10 -4.89 121.76 130.53 1cr9 s ALA 106 Ca 0.28 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1cr9 s ALA 106 Cb -0.16 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1cr9 s ALA 106 CO 0.13 -1.70 0.52 0.50 0.00 0.00 0.00 175.76 175.21 1cr9 s ARG 108 N 2.79 2.53 0.35 0.00 3.52 -1.26 -4.28 118.95 122.60 1cr9 s ARG 108 Ca 0.23 -1.55 -0.25 0.00 -0.13 0.00 0.00 55.73 54.03 1cr9 s ARG 108 Cb -0.14 -2.50 -0.10 0.00 -1.56 0.00 0.00 34.95 30.65 1cr9 s ARG 108 CO 0.18 -0.42 0.99 0.00 -0.81 0.00 0.00 175.30 175.25 1cr9 s ALA 109 N -2.52 3.17 0.47 6.12 0.00 -1.26 -4.97 121.76 122.77 1cr9 s ALA 109 Ca 0.51 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 1cr9 s ALA 109 Cb -0.05 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 1cr9 s ALA 109 CO 0.31 0.01 1.12 -0.25 0.00 0.00 0.00 175.76 176.95 1cr9 n ASP 110 N 0.31 1.71 -3.73 0.00 8.00 -1.26 -4.85 116.55 116.72 1cr9 n ASP 110 Ca 0.03 1.00 -0.14 0.00 0.71 0.00 0.00 54.79 56.39 1cr9 n ASP 110 Cb 0.50 -1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.02 1cr9 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cr9 s ALA 111 N -1.31 -0.24 0.46 2.24 0.00 -0.15 -4.92 121.76 117.84 1cr9 s ALA 111 Ca 0.66 0.65 -0.21 0.00 0.00 0.00 0.00 51.96 53.06 1cr9 s ALA 111 Cb -0.49 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.98 1cr9 s ALA 111 CO 0.54 -0.27 1.03 0.00 0.00 0.00 0.00 175.76 177.06 1cr9 s ALA 112 N 1.48 2.95 0.65 0.00 0.00 -1.26 -0.94 121.76 124.64 1cr9 s ALA 112 Ca -0.06 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 1cr9 s ALA 112 Cb -0.12 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1cr9 s ALA 112 CO -0.06 -0.22 1.05 -1.25 0.00 0.00 0.00 175.76 175.29 1cr9 s PRO 113 N -3.04 3.19 -0.23 0.00 0.04 -1.26 -4.51 135.00 129.18 1cr9 s PRO 113 Ca 0.64 1.01 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 1cr9 s PRO 113 Cb -0.16 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1cr9 s PRO 113 CO 0.21 -0.90 -0.01 0.99 0.04 0.00 0.00 177.00 177.32 1cr9 s THR 114 N -2.86 3.60 -0.07 1.26 2.01 -0.67 -4.90 115.64 114.02 1cr9 s THR 114 Ca 0.59 -0.42 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 1cr9 s THR 114 Cb -0.14 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1cr9 s THR 114 CO 0.48 0.40 0.49 -0.69 -0.69 0.00 0.00 174.62 174.61 1cr9 s VAL 115 N 1.51 5.09 -0.00 3.82 1.01 -1.26 -1.20 120.40 129.37 1cr9 s VAL 115 Ca 0.06 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.11 1cr9 s VAL 115 Cb -0.14 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1cr9 s VAL 115 CO -0.02 0.40 -0.20 -0.44 0.00 0.00 0.00 175.10 174.84 1cr9 s SER 116 N 0.10 2.41 0.00 3.32 0.01 0.02 -4.99 113.70 114.58 1cr9 s SER 116 Ca 0.27 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 57.16 1cr9 s SER 116 Cb -0.16 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 1cr9 s SER 116 CO 0.13 0.23 -0.11 -0.51 0.41 0.00 0.00 173.24 173.38 1cr9 s ILE 117 N -0.56 0.89 -0.21 1.44 2.07 -1.26 -0.86 121.20 122.71 1cr9 s ILE 117 Ca 0.08 -0.60 -0.02 0.00 -1.41 0.00 0.00 60.65 58.70 1cr9 s ILE 117 Cb -0.08 -0.77 0.06 0.00 0.13 0.00 0.00 42.46 41.81 1cr9 s ILE 117 CO -0.00 0.17 0.03 -0.36 -1.91 0.00 0.00 174.94 172.86 1cr9 s PHE 118 N -0.42 1.33 0.87 3.50 0.40 0.31 -5.00 117.98 118.97 1cr9 s PHE 118 Ca 0.03 -1.11 -0.12 0.00 -0.60 0.00 0.00 56.93 55.13 1cr9 s PHE 118 Cb -0.05 -1.20 0.09 0.00 0.51 0.00 0.00 43.02 42.37 1cr9 s PHE 118 CO -0.00 -0.67 0.99 -0.35 0.70 0.00 0.00 175.22 175.89 1cr9 n PRO 119 N 4.96 -0.14 -1.67 0.24 -0.04 -1.26 -1.55 135.00 135.53 1cr9 n PRO 119 Ca -0.09 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 1cr9 n PRO 119 Cb 0.46 -2.26 0.01 0.00 -0.04 0.00 0.00 33.50 31.67 1cr9 n PRO 119 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1cr9 n PRO 120 N -3.17 1.71 -1.75 0.54 -0.04 -1.20 -4.85 135.00 126.24 1cr9 n PRO 120 Ca 0.11 0.61 -0.33 0.00 -0.04 0.00 0.00 63.50 63.86 1cr9 n PRO 120 Cb 0.52 -2.28 0.05 0.00 -0.04 0.00 0.00 33.50 31.74 1cr9 n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1cr9 s SER 121 N -0.63 5.14 0.52 3.54 1.04 -1.26 -4.91 113.70 117.14 1cr9 s SER 121 Ca 0.62 1.96 0.24 0.00 0.48 0.00 0.00 55.95 59.25 1cr9 s SER 121 Cb -0.52 -2.55 1.41 0.00 0.10 0.00 0.00 66.02 64.47 1cr9 s SER 121 CO 0.57 -1.61 2.10 0.77 0.98 0.00 0.00 173.24 176.06 1cr9 h SER 122 N -0.02 0.00 -0.09 7.02 4.64 -2.00 -2.51 113.55 120.59 1cr9 h SER 122 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1cr9 h SER 122 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1cr9 h SER 122 CO 0.54 0.10 0.02 -0.33 -0.87 0.00 0.00 176.83 176.28 1cr9 h GLU 123 N 0.00 0.15 -0.61 4.77 5.08 -1.99 -1.22 114.58 120.76 1cr9 h GLU 123 Ca -0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1cr9 h GLU 123 Cb 0.22 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1cr9 h GLU 123 CO 0.01 0.36 0.14 0.37 -1.00 0.00 0.00 179.01 178.89 1cr9 h GLN 124 N -0.08 0.98 -0.77 2.33 4.15 -1.80 -2.85 115.11 117.07 1cr9 h GLN 124 Ca 0.03 -0.24 0.07 0.00 0.77 0.00 0.00 58.65 59.28 1cr9 h GLN 124 Cb 0.28 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.78 1cr9 h GLN 124 CO 0.00 0.90 0.45 -0.07 -1.93 0.00 0.00 178.83 178.18 1cr9 h LEU 125 N 0.90 0.67 -1.61 -2.39 3.38 -1.20 -0.86 115.31 114.19 1cr9 h LEU 125 Ca 0.19 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1cr9 h LEU 125 Cb 0.37 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1cr9 h LEU 125 CO 0.00 0.41 -0.16 0.71 0.09 0.00 0.00 178.44 179.49 1cr9 h THR 126 N 0.79 0.55 -0.29 0.22 1.35 -1.00 -0.35 112.91 114.17 1cr9 h THR 126 Ca 0.35 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1cr9 h THR 126 Cb 0.25 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1cr9 h THR 126 CO -0.21 0.16 0.00 -0.24 -0.25 0.00 0.00 175.52 174.98 1cr9 n SER 127 N -3.52 1.71 0.00 5.36 2.88 -0.35 -4.93 113.62 114.77 1cr9 n SER 127 Ca -0.01 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1cr9 n SER 127 Cb 0.31 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1cr9 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cr9 n GLY 128 N 0.90 2.69 3.95 0.46 0.00 -0.14 -5.05 105.19 108.00 1cr9 n GLY 128 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1cr9 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cr9 s GLY 129 N -1.75 1.79 -0.28 -0.02 0.00 -1.03 -1.47 107.32 104.55 1cr9 s GLY 129 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1cr9 s GLY 129 CO 0.00 -1.49 0.30 0.00 0.00 0.00 0.00 173.10 171.91 1cr9 s ALA 130 N -2.28 -0.53 -0.20 3.20 0.00 -0.35 -3.09 121.76 118.51 1cr9 s ALA 130 Ca 0.47 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1cr9 s ALA 130 Cb -0.08 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 1cr9 s ALA 130 CO 0.30 -1.62 0.01 -1.12 0.00 0.00 0.00 175.76 173.33 1cr9 s SER 131 N 2.38 4.95 -0.23 0.00 0.01 -1.26 -0.82 113.70 118.73 1cr9 s SER 131 Ca 0.09 -0.16 -0.08 0.00 1.31 0.00 0.00 55.95 57.11 1cr9 s SER 131 Cb -0.14 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 1cr9 s SER 131 CO -0.29 0.08 0.10 -0.69 0.41 0.00 0.00 173.24 172.85 1cr9 s VAL 132 N 0.91 4.80 -0.10 3.43 1.01 -0.07 -3.23 120.40 127.15 1cr9 s VAL 132 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1cr9 s VAL 132 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1cr9 s VAL 132 CO 0.02 0.37 -0.02 -0.69 0.00 0.00 0.00 175.10 174.78 1cr9 s VAL 133 N 1.12 4.15 -0.14 2.92 1.01 -0.60 -0.96 120.40 127.91 1cr9 s VAL 133 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1cr9 s VAL 133 Cb -0.14 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1cr9 s VAL 133 CO 0.04 0.58 -0.12 0.00 0.00 0.00 0.00 175.10 175.60 1cr9 s PHE 135 N 1.52 3.23 -0.43 0.00 0.08 -0.04 -0.86 117.98 121.48 1cr9 s PHE 135 Ca 0.04 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.20 1cr9 s PHE 135 Cb -0.13 -1.96 0.12 0.00 -0.57 0.00 0.00 43.02 40.48 1cr9 s PHE 135 CO -0.10 0.28 0.19 -0.51 -0.10 0.00 0.00 175.22 174.98 1cr9 s LEU 136 N -0.14 4.89 0.08 -0.37 1.02 -0.34 -0.80 118.68 123.02 1cr9 s LEU 136 Ca 0.06 -2.38 -0.03 0.00 0.02 0.00 0.00 54.13 51.80 1cr9 s LEU 136 Cb -0.12 -1.72 -0.05 0.00 0.02 0.00 0.00 46.19 44.32 1cr9 s LEU 136 CO 0.02 -0.40 0.28 0.20 0.02 0.00 0.00 176.35 176.46 1cr9 s ASN 137 N 0.92 6.43 -1.20 2.29 0.02 -0.34 -1.58 114.94 121.47 1cr9 s ASN 137 Ca 0.12 0.43 -0.27 0.00 -1.02 0.00 0.00 52.86 52.13 1cr9 s ASN 137 Cb -0.22 -2.03 0.02 0.00 0.02 0.00 0.00 41.25 39.04 1cr9 s ASN 137 CO -0.05 0.14 0.70 0.59 0.02 0.00 0.00 177.10 178.51 1cr9 n ASN 138 N 0.38 -4.34 -4.74 -1.22 4.13 -1.07 -1.66 115.26 106.73 1cr9 n ASN 138 Ca -0.05 -1.17 -0.25 0.00 1.68 0.00 0.00 54.58 54.78 1cr9 n ASN 138 Cb 0.52 -2.43 -0.07 0.00 -1.54 0.00 0.00 39.78 36.25 1cr9 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1cr9 s PHE 139 N -3.54 2.52 -0.28 3.10 -0.71 -0.44 -4.66 117.98 113.96 1cr9 s PHE 139 Ca 0.46 -0.62 -0.20 0.00 -1.04 0.00 0.00 56.93 55.52 1cr9 s PHE 139 Cb -0.21 -1.93 0.13 0.00 -1.21 0.00 0.00 43.02 39.80 1cr9 s PHE 139 CO 0.92 0.18 0.96 -0.47 -1.34 0.00 0.00 175.22 175.48 1cr9 s TYR 140 N -2.63 -0.58 1.12 3.49 5.04 -0.12 -1.28 117.35 122.39 1cr9 s TYR 140 Ca 0.39 1.27 -0.18 0.00 -2.44 0.00 0.00 57.07 56.10 1cr9 s TYR 140 Cb 0.04 0.38 0.26 0.00 0.35 0.00 0.00 41.96 42.99 1cr9 s TYR 140 CO 0.21 -0.29 1.19 -1.25 -1.34 0.00 0.00 175.55 174.08 1cr9 s PRO 141 N 0.87 -0.63 0.33 4.97 0.04 -1.26 -0.98 135.00 138.34 1cr9 s PRO 141 Ca -0.04 -0.23 0.02 0.00 0.04 0.00 0.00 61.00 60.79 1cr9 s PRO 141 Cb -0.04 -1.68 0.58 0.00 0.04 0.00 0.00 34.50 33.39 1cr9 s PRO 141 CO -0.11 -3.29 1.91 -0.22 0.04 0.00 0.00 177.00 175.33 1cr9 h LYS 142 N -2.27 0.69 -6.32 4.56 3.64 -1.98 -3.44 116.57 111.45 1cr9 h LYS 142 Ca -0.44 -0.11 -0.54 0.00 -1.27 0.00 0.00 60.65 58.29 1cr9 h LYS 142 Cb 1.27 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1cr9 h LYS 142 CO 0.34 0.59 1.23 0.34 -2.27 0.00 0.00 179.45 179.67 1cr9 s ASP 143 N -6.62 6.42 0.01 4.20 2.15 -1.26 -4.96 116.67 116.60 1cr9 s ASP 143 Ca -0.09 2.53 -0.19 0.00 0.43 0.00 0.00 52.55 55.23 1cr9 s ASP 143 Cb 0.16 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1cr9 s ASP 143 CO 0.77 -1.10 0.41 -0.51 -0.17 0.00 0.00 175.17 174.58 1cr9 s ILE 144 N 4.67 0.05 -0.06 4.11 2.07 -1.26 -4.66 121.20 126.11 1cr9 s ILE 144 Ca 0.86 -0.40 0.04 0.00 -1.41 0.00 0.00 60.65 59.75 1cr9 s ILE 144 Cb -0.40 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.36 1cr9 s ILE 144 CO 0.39 -0.22 -0.19 0.20 -1.91 0.00 0.00 174.94 173.21 1cr9 s ASN 145 N -1.61 2.42 -0.06 4.50 0.01 -0.48 -4.97 114.94 114.75 1cr9 s ASN 145 Ca -0.09 -0.41 0.06 0.00 -0.71 0.00 0.00 52.86 51.70 1cr9 s ASN 145 Cb -0.02 -0.87 -0.01 0.00 0.41 0.00 0.00 41.25 40.75 1cr9 s ASN 145 CO 0.02 0.14 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.84 1cr9 s VAL 146 N 0.22 2.29 -0.05 1.60 1.01 -1.26 -0.64 120.40 123.57 1cr9 s VAL 146 Ca -0.10 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1cr9 s VAL 146 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1cr9 s VAL 146 CO 0.04 0.57 -0.14 -0.54 0.00 0.00 0.00 175.10 175.03 1cr9 s LYS 147 N -0.28 1.59 -0.10 2.72 1.02 -0.30 -4.99 119.74 119.39 1cr9 s LYS 147 Ca 0.00 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.45 1cr9 s LYS 147 Cb -0.13 -1.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1cr9 s LYS 147 CO 0.03 0.15 0.11 -1.58 -0.92 0.00 0.00 175.35 173.14 1cr9 s TRP 148 N 0.26 3.50 -0.01 3.18 0.52 -1.26 -1.32 118.94 123.81 1cr9 s TRP 148 Ca -0.07 0.45 0.02 0.00 0.02 0.00 0.00 56.10 56.52 1cr9 s TRP 148 Cb -0.12 -1.90 -0.00 0.00 -1.15 0.00 0.00 33.47 30.30 1cr9 s TRP 148 CO 0.02 0.68 -0.08 0.15 0.02 0.00 0.00 176.95 177.74 1cr9 s LYS 149 N -1.07 0.75 -0.25 4.98 1.02 -0.24 -1.21 119.74 123.73 1cr9 s LYS 149 Ca 0.16 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.88 1cr9 s LYS 149 Cb -0.12 -0.72 0.06 0.00 -0.52 0.00 0.00 37.83 36.53 1cr9 s LYS 149 CO 0.05 0.14 -0.07 0.42 -0.92 0.00 0.00 175.35 174.97 1cr9 s ILE 150 N -0.01 1.78 -1.41 2.17 1.01 0.19 -0.78 121.20 124.15 1cr9 s ILE 150 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 60.65 59.15 1cr9 s ILE 150 Cb -0.05 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.45 1cr9 s ILE 150 CO -0.00 -0.10 1.01 0.47 0.00 0.00 0.00 174.94 176.31 1cr9 n ASP 151 N 4.57 -4.46 0.00 3.58 8.00 -0.25 -2.19 116.55 125.80 1cr9 n ASP 151 Ca -0.12 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1cr9 n ASP 151 Cb 0.43 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 1cr9 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cr9 n GLY 152 N -1.72 2.52 3.72 0.44 0.00 -1.26 -5.02 105.19 103.86 1cr9 n GLY 152 Ca -0.06 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1cr9 n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cr9 s SER 153 N 0.25 7.25 0.54 1.61 1.04 -0.93 -4.94 113.70 118.52 1cr9 s SER 153 Ca 0.00 1.51 -0.21 0.00 0.48 0.00 0.00 55.95 57.73 1cr9 s SER 153 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1cr9 s SER 153 CO 0.00 -0.12 1.25 -0.70 0.98 0.00 0.00 173.24 174.65 1cr9 s GLU 154 N 0.52 3.27 -0.09 4.02 2.12 -1.26 -0.63 118.70 126.64 1cr9 s GLU 154 Ca 0.44 1.97 -0.01 0.00 0.36 0.00 0.00 54.97 57.73 1cr9 s GLU 154 Cb -0.20 -2.20 0.03 0.00 0.26 0.00 0.00 34.13 32.02 1cr9 s GLU 154 CO 0.24 -1.01 -0.00 0.50 -0.54 0.00 0.00 175.26 174.45 1cr9 s ARG 155 N -2.98 0.70 -0.03 4.30 6.06 -0.35 -4.86 118.95 121.79 1cr9 s ARG 155 Ca 0.71 0.03 0.19 0.00 -2.50 0.00 0.00 55.73 54.16 1cr9 s ARG 155 Cb -0.34 -1.14 -0.29 0.00 0.06 0.00 0.00 34.95 33.24 1cr9 s ARG 155 CO 0.39 -0.33 0.41 1.04 -2.50 0.00 0.00 175.30 174.31 1cr9 n GLN 156 N 5.12 0.60 -2.99 5.12 3.00 -1.26 -4.27 117.38 122.70 1cr9 n GLN 156 Ca -0.08 -0.17 -0.40 0.00 -0.01 0.00 0.00 57.00 56.35 1cr9 n GLN 156 Cb 0.50 -1.45 -0.05 0.00 0.00 0.00 0.00 30.24 29.23 1cr9 n GLN 156 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1cr9 s ASN 157 N -4.24 7.25 0.00 1.08 0.01 -1.26 -4.02 114.94 113.76 1cr9 s ASN 157 Ca -0.07 1.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.57 1cr9 s ASN 157 Cb 0.12 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1cr9 s ASN 157 CO 0.79 0.07 0.00 0.61 -1.51 0.00 0.00 177.10 177.06 1cr9 n GLY 158 N 2.18 0.72 3.57 0.66 0.00 -1.26 -4.82 105.19 106.24 1cr9 n GLY 158 Ca -0.03 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1cr9 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cr9 s VAL 159 N -2.00 5.05 -0.21 1.61 1.01 -1.26 -0.81 120.40 123.79 1cr9 s VAL 159 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1cr9 s VAL 159 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1cr9 s VAL 159 CO 0.00 0.30 -0.06 -0.76 0.00 0.00 0.00 175.10 174.58 1cr9 s LEU 160 N 1.50 2.83 0.07 3.92 1.43 0.12 -4.94 118.68 123.61 1cr9 s LEU 160 Ca 0.07 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1cr9 s LEU 160 Cb -0.15 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1cr9 s LEU 160 CO 0.07 -0.01 -0.08 0.20 0.23 0.00 0.00 176.35 176.77 1cr9 s ASN 161 N 1.39 4.54 -0.19 2.29 0.01 -1.26 -0.87 114.94 120.85 1cr9 s ASN 161 Ca 0.05 -0.29 -0.12 0.00 -0.71 0.00 0.00 52.86 51.79 1cr9 s ASN 161 Cb -0.14 -0.95 0.06 0.00 0.41 0.00 0.00 41.25 40.62 1cr9 s ASN 161 CO -0.04 0.21 0.47 -0.55 -1.51 0.00 0.00 177.10 175.68 1cr9 s SER 162 N -1.98 -0.57 0.11 -1.22 0.15 -0.18 -4.98 113.70 105.03 1cr9 s SER 162 Ca 0.21 1.00 0.06 0.00 0.70 0.00 0.00 55.95 57.92 1cr9 s SER 162 Cb -0.11 0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 65.07 1cr9 s SER 162 CO 0.12 -0.19 -0.03 0.26 1.20 0.00 0.00 173.24 174.61 1cr9 s TRP 163 N 1.13 2.90 0.71 3.44 0.51 -1.26 -0.20 118.94 126.17 1cr9 s TRP 163 Ca -0.07 -0.08 -0.04 0.00 -2.12 0.00 0.00 56.10 53.79 1cr9 s TRP 163 Cb -0.07 -1.49 0.10 0.00 -0.81 0.00 0.00 33.47 31.21 1cr9 s TRP 163 CO -0.10 0.47 0.99 0.95 -0.51 0.00 0.00 176.95 178.75 1cr9 s THR 164 N -1.35 2.27 0.73 2.01 -4.23 -0.75 -5.00 115.64 109.32 1cr9 s THR 164 Ca 0.25 -0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.25 1cr9 s THR 164 Cb -0.11 -2.83 0.09 0.00 1.34 0.00 0.00 72.50 70.99 1cr9 s THR 164 CO 0.17 0.00 1.04 -1.81 -0.54 0.00 0.00 174.62 173.48 1cr9 s ASP 165 N -4.62 4.53 0.20 3.99 1.11 -1.26 -4.67 116.67 115.95 1cr9 s ASP 165 Ca 0.63 0.26 -0.31 0.00 0.18 0.00 0.00 52.55 53.31 1cr9 s ASP 165 Cb -0.08 -0.80 -0.11 0.00 1.07 0.00 0.00 42.92 43.00 1cr9 s ASP 165 CO 0.44 -1.77 1.60 -1.58 1.18 0.00 0.00 175.17 175.04 1cr9 s GLN 166 N -5.29 4.19 0.25 8.23 0.74 -1.26 -4.77 119.66 121.75 1cr9 s GLN 166 Ca 0.63 2.44 -0.30 0.00 0.05 0.00 0.00 55.36 58.17 1cr9 s GLN 166 Cb -0.09 -3.12 -0.11 0.00 1.10 0.00 0.00 33.01 30.80 1cr9 s GLN 166 CO 0.45 -0.63 1.56 0.34 -0.55 0.00 0.00 175.29 176.46 1cr9 s ASP 167 N 1.02 6.50 0.00 6.67 -1.08 -0.06 -4.91 116.67 124.81 1cr9 s ASP 167 Ca 0.70 2.80 0.28 0.00 -0.52 0.00 0.00 52.55 55.80 1cr9 s ASP 167 Cb -0.46 -2.62 1.45 0.00 -1.46 0.00 0.00 42.92 39.83 1cr9 s ASP 167 CO 0.34 -0.84 1.97 -1.54 0.52 0.00 0.00 175.17 175.62 1cr9 n SER 168 N 2.72 0.00 -0.08 -0.34 3.41 -1.26 -1.61 113.62 116.45 1cr9 n SER 168 Ca 0.09 -0.23 -0.16 0.00 -0.26 0.00 0.00 58.87 58.32 1cr9 n SER 168 Cb 0.38 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 1cr9 n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1cr9 n LYS 169 N -1.24 0.43 0.00 4.33 5.02 -1.26 -2.30 118.16 123.13 1cr9 n LYS 169 Ca 0.14 0.18 0.08 0.00 -2.02 0.00 0.00 58.31 56.70 1cr9 n LYS 169 Cb 0.20 -1.23 0.05 0.00 -0.02 0.00 0.00 35.03 34.03 1cr9 n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1cr9 n ASP 170 N -4.07 2.16 -1.25 4.39 5.68 -1.26 -4.87 116.55 117.34 1cr9 n ASP 170 Ca -0.28 -1.58 -0.15 0.00 -0.50 0.00 0.00 54.79 52.28 1cr9 n ASP 170 Cb 0.62 0.14 -0.05 0.00 -1.14 0.00 0.00 41.12 40.68 1cr9 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1cr9 n SER 171 N 0.62 -4.77 -5.02 -1.12 7.64 -0.63 -4.98 113.62 105.37 1cr9 n SER 171 Ca 0.09 0.31 -0.20 0.00 1.01 0.00 0.00 58.87 60.08 1cr9 n SER 171 Cb 0.39 -3.65 0.05 0.00 -1.01 0.00 0.00 64.21 60.00 1cr9 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1cr9 s THR 172 N -2.59 2.21 0.33 0.44 -4.23 -1.26 -4.59 115.64 105.95 1cr9 s THR 172 Ca 0.00 -1.04 0.10 0.00 -1.18 0.00 0.00 61.69 59.57 1cr9 s THR 172 Cb 0.00 -2.25 -0.06 0.00 1.34 0.00 0.00 72.50 71.53 1cr9 s THR 172 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.66 1cr9 s TYR 173 N -2.64 2.37 0.05 3.99 1.51 -0.41 -0.88 117.35 121.34 1cr9 s TYR 173 Ca 0.59 -0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 56.14 1cr9 s TYR 173 Cb -0.06 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1cr9 s TYR 173 CO 0.37 0.59 0.03 -1.12 -1.11 0.00 0.00 175.55 174.31 1cr9 s SER 174 N -3.59 0.34 0.02 2.29 0.01 -1.26 -1.33 113.70 110.17 1cr9 s SER 174 Ca 0.32 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1cr9 s SER 174 Cb 0.01 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 1cr9 s SER 174 CO 0.16 -0.56 -0.01 -0.32 0.41 0.00 0.00 173.24 172.92 1cr9 s MET 175 N -3.30 0.32 -0.08 12.44 0.00 -0.62 -1.82 119.30 126.25 1cr9 s MET 175 Ca 0.01 -0.57 0.03 0.00 0.00 0.00 0.00 55.69 55.16 1cr9 s MET 175 Cb 0.03 0.12 0.01 0.00 0.00 0.00 0.00 34.83 34.99 1cr9 s MET 175 CO -0.08 -0.05 -0.16 0.45 0.00 0.00 0.00 175.02 175.18 1cr9 s SER 176 N -1.40 2.17 -0.12 1.11 0.15 0.72 -1.20 113.70 115.13 1cr9 s SER 176 Ca -0.15 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.12 1cr9 s SER 176 Cb -0.09 -1.00 0.02 0.00 -1.71 0.00 0.00 66.02 63.24 1cr9 s SER 176 CO -0.01 0.07 -0.09 -0.55 1.20 0.00 0.00 173.24 173.87 1cr9 s SER 177 N 0.56 2.30 -0.15 5.45 0.15 -0.04 -1.01 113.70 120.97 1cr9 s SER 177 Ca -0.16 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 1cr9 s SER 177 Cb -0.16 -0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 63.22 1cr9 s SER 177 CO 0.05 -0.11 -0.10 -0.89 1.20 0.00 0.00 173.24 173.39 1cr9 s THR 178 N 1.67 3.24 -0.25 6.45 2.01 -0.05 -0.65 115.64 128.05 1cr9 s THR 178 Ca 0.05 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.39 1cr9 s THR 178 Cb -0.13 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1cr9 s THR 178 CO -0.09 0.50 0.06 -0.22 -0.69 0.00 0.00 174.62 174.19 1cr9 s LEU 179 N 0.53 3.41 -0.15 4.42 2.96 -0.13 -0.70 118.68 129.02 1cr9 s LEU 179 Ca -0.07 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1cr9 s LEU 179 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1cr9 s LEU 179 CO 0.04 -0.04 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.11 1cr9 s THR 180 N 1.60 4.00 0.31 3.68 2.01 0.01 -0.89 115.64 126.36 1cr9 s THR 180 Ca 0.06 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1cr9 s THR 180 Cb -0.15 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1cr9 s THR 180 CO 0.03 0.50 0.14 -0.76 -0.69 0.00 0.00 174.62 173.84 1cr9 s LEU 181 N 0.24 1.74 0.42 4.42 1.43 -0.00 -4.73 118.68 122.20 1cr9 s LEU 181 Ca -0.02 -1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 51.51 1cr9 s LEU 181 Cb -0.14 0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 1cr9 s LEU 181 CO 0.03 -0.85 0.70 0.42 0.23 0.00 0.00 176.35 176.88 1cr9 s THR 182 N -3.56 4.96 0.26 5.49 -4.23 -1.26 -1.20 115.64 116.10 1cr9 s THR 182 Ca 0.35 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 1cr9 s THR 182 Cb 0.05 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 70.30 1cr9 s THR 182 CO 0.17 -0.71 1.85 0.50 -0.54 0.00 0.00 174.62 175.89 1cr9 h LYS 183 N 0.56 0.99 -0.21 3.99 3.64 -1.48 -2.27 116.57 121.78 1cr9 h LYS 183 Ca -0.48 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1cr9 h LYS 183 Cb 1.21 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1cr9 h LYS 183 CO 0.62 0.65 0.03 -0.44 -2.27 0.00 0.00 179.45 178.04 1cr9 h ASP 184 N 1.02 -0.01 -0.83 4.20 3.32 -1.93 -1.53 116.42 120.65 1cr9 h ASP 184 Ca 0.43 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.47 1cr9 h ASP 184 Cb 0.28 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1cr9 h ASP 184 CO -0.21 0.02 0.37 -0.33 -1.72 0.00 0.00 179.24 177.38 1cr9 h GLU 185 N 0.11 1.22 -0.08 3.56 5.08 -1.86 -2.92 114.58 119.68 1cr9 h GLU 185 Ca 0.10 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1cr9 h GLU 185 Cb 0.10 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1cr9 h GLU 185 CO -0.14 0.96 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.89 1cr9 h TYR 186 N 1.20 -0.04 0.00 4.33 3.20 -0.89 -2.81 116.97 121.95 1cr9 h TYR 186 Ca 0.28 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1cr9 h TYR 186 Cb 0.16 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1cr9 h TYR 186 CO 0.02 -0.04 0.00 0.39 -1.64 0.00 0.00 178.16 176.89 1cr9 n GLU 187 N -5.13 0.07 0.00 1.82 1.02 -0.62 -2.27 120.64 115.52 1cr9 n GLU 187 Ca -0.05 0.18 0.13 0.00 -0.02 0.00 0.00 57.16 57.40 1cr9 n GLU 187 Cb 0.07 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.34 1cr9 n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1cr9 n ARG 188 N -1.44 0.31 -4.61 3.49 1.74 -1.06 -4.94 116.66 110.14 1cr9 n ARG 188 Ca 0.05 -0.16 -0.28 0.00 -0.77 0.00 0.00 57.85 56.69 1cr9 n ARG 188 Cb 0.18 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 1cr9 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1cr9 s HIS 189 N -2.81 2.43 0.00 -1.55 3.76 -0.96 -5.10 115.29 111.07 1cr9 s HIS 189 Ca 0.17 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 1cr9 s HIS 189 Cb 0.18 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1cr9 s HIS 189 CO 0.61 0.40 0.00 0.09 -0.85 0.00 0.00 174.74 174.99 1cr9 n ASN 190 N -0.96 3.60 -4.52 1.40 3.02 -1.26 -4.85 115.26 111.69 1cr9 n ASN 190 Ca -0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.16 1cr9 n ASN 190 Cb 0.67 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.72 1cr9 n ASN 190 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1cr9 s SER 191 N -3.94 4.63 -0.14 6.41 0.01 -1.26 -0.96 113.70 118.46 1cr9 s SER 191 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1cr9 s SER 191 Cb 0.00 -1.49 0.02 0.00 0.21 0.00 0.00 66.02 64.76 1cr9 s SER 191 CO 0.00 0.26 -0.12 -0.31 0.41 0.00 0.00 173.24 173.47 1cr9 s TYR 192 N -0.17 1.97 -0.09 2.43 2.02 -0.10 -1.09 117.35 122.31 1cr9 s TYR 192 Ca 0.02 -1.07 0.04 0.00 -0.37 0.00 0.00 57.07 55.69 1cr9 s TYR 192 Cb -0.13 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1cr9 s TYR 192 CO 0.03 -0.61 -0.22 0.99 -1.57 0.00 0.00 175.55 174.17 1cr9 s THR 193 N 1.51 1.87 -0.31 -0.71 2.01 0.04 -0.76 115.64 119.29 1cr9 s THR 193 Ca 0.04 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1cr9 s THR 193 Cb -0.13 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.79 1cr9 s THR 193 CO -0.09 0.52 0.04 0.00 -0.69 0.00 0.00 174.62 174.40 1cr9 s GLU 195 N 1.37 2.69 -0.07 0.00 2.02 -0.44 -1.07 118.70 123.21 1cr9 s GLU 195 Ca -0.02 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.43 1cr9 s GLU 195 Cb -0.19 -2.55 0.01 0.00 0.10 0.00 0.00 34.13 31.50 1cr9 s GLU 195 CO 0.01 0.66 -0.16 0.00 0.02 0.00 0.00 175.26 175.78 1cr9 s ALA 196 N -0.80 1.54 -0.24 5.21 0.00 -0.18 -1.15 121.76 126.14 1cr9 s ALA 196 Ca 0.12 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1cr9 s ALA 196 Cb -0.11 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1cr9 s ALA 196 CO 0.01 0.20 0.08 0.99 0.00 0.00 0.00 175.76 177.04 1cr9 s THR 197 N 0.42 4.48 0.02 0.00 2.01 0.19 -1.19 115.64 121.56 1cr9 s THR 197 Ca -0.13 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1cr9 s THR 197 Cb -0.15 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1cr9 s THR 197 CO 0.05 0.35 0.05 -2.28 -0.69 0.00 0.00 174.62 172.10 1cr9 s HIS 198 N 1.39 0.17 0.29 4.92 2.46 -1.26 -1.38 115.29 121.88 1cr9 s HIS 198 Ca 0.05 -0.39 0.36 0.00 0.47 0.00 0.00 55.06 55.55 1cr9 s HIS 198 Cb -0.15 -0.13 1.87 0.00 -0.13 0.00 0.00 32.58 34.04 1cr9 s HIS 198 CO 0.04 -0.26 2.09 1.57 -2.47 0.00 0.00 174.74 175.71 1cr9 h LYS 199 N 4.31 0.00 0.00 2.88 2.10 -1.94 -2.19 116.57 121.73 1cr9 h LYS 199 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1cr9 h LYS 199 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1cr9 h LYS 199 CO 0.43 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.13 1cr9 n THR 200 N -2.79 0.57 -3.86 0.07 -2.24 -1.26 -4.77 114.28 100.00 1cr9 n THR 200 Ca -0.02 0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1cr9 n THR 200 Cb 0.09 -0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 67.39 1cr9 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1cr9 s SER 201 N -2.86 -0.04 0.16 3.42 0.15 -0.82 -4.98 113.70 108.73 1cr9 s SER 201 Ca 0.12 0.06 -0.13 0.00 0.70 0.00 0.00 55.95 56.70 1cr9 s SER 201 Cb 0.13 0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.66 1cr9 s SER 201 CO 0.34 -0.09 1.75 0.74 1.20 0.00 0.00 173.24 177.19 1cr9 h THR 202 N 4.92 1.20 -1.80 6.45 2.02 -1.86 -3.42 112.91 120.42 1cr9 h THR 202 Ca -0.26 -0.55 -0.61 0.00 0.77 0.00 0.00 66.41 65.77 1cr9 h THR 202 Cb 1.20 0.57 -0.12 0.00 -1.74 0.00 0.00 68.15 68.06 1cr9 h THR 202 CO 0.45 0.22 -0.61 -0.94 0.37 0.00 0.00 175.52 175.01 1cr9 s SER 203 N -5.91 4.00 0.54 4.18 1.04 -1.26 -5.07 113.70 111.22 1cr9 s SER 203 Ca -0.13 -1.18 -0.20 0.00 0.48 0.00 0.00 55.95 54.92 1cr9 s SER 203 Cb 0.12 -0.43 -0.05 0.00 0.10 0.00 0.00 66.02 65.75 1cr9 s SER 203 CO 0.77 -0.34 1.20 -2.16 0.98 0.00 0.00 173.24 173.69 1cr9 s PRO 204 N -3.71 3.29 -0.25 4.02 0.04 -1.26 -4.84 135.00 132.28 1cr9 s PRO 204 Ca 0.35 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 63.02 1cr9 s PRO 204 Cb 0.04 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1cr9 s PRO 204 CO 0.19 -0.95 0.56 0.42 0.04 0.00 0.00 177.00 177.26 1cr9 s ILE 205 N -1.58 5.04 0.05 0.56 1.01 -0.34 -4.89 121.20 121.06 1cr9 s ILE 205 Ca 0.72 0.98 0.09 0.00 0.00 0.00 0.00 60.65 62.44 1cr9 s ILE 205 Cb -0.30 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1cr9 s ILE 205 CO 0.34 0.08 -0.26 0.54 0.00 0.00 0.00 174.94 175.63 1cr9 s VAL 206 N 2.30 2.15 -0.10 2.92 0.11 -1.26 -1.01 120.40 125.50 1cr9 s VAL 206 Ca 0.23 -1.42 -0.00 0.00 -2.93 0.00 0.00 61.98 57.85 1cr9 s VAL 206 Cb -0.16 -1.84 0.02 0.00 -1.53 0.00 0.00 36.38 32.88 1cr9 s VAL 206 CO 0.09 0.34 -0.06 -0.75 -3.33 0.00 0.00 175.10 171.39 1cr9 s LYS 207 N -1.31 1.32 0.35 1.54 2.47 -0.23 -5.01 119.74 118.87 1cr9 s LYS 207 Ca 0.12 -0.18 0.09 0.00 -1.56 0.00 0.00 55.97 54.44 1cr9 s LYS 207 Cb -0.10 -1.43 -0.06 0.00 -1.46 0.00 0.00 37.83 34.78 1cr9 s LYS 207 CO 0.02 -0.26 -0.04 -1.12 0.16 0.00 0.00 175.35 174.12 1cr9 s SER 208 N 1.70 3.94 -0.11 1.43 0.01 -1.26 -0.84 113.70 118.58 1cr9 s SER 208 Ca 0.04 -1.13 -0.05 0.00 1.31 0.00 0.00 55.95 56.12 1cr9 s SER 208 Cb -0.13 -0.43 0.05 0.00 0.21 0.00 0.00 66.02 65.72 1cr9 s SER 208 CO -0.07 -0.25 0.24 0.12 0.41 0.00 0.00 173.24 173.70 1cr9 s PHE 209 N -2.58 -0.33 -0.13 2.43 5.36 0.06 -4.98 117.98 117.80 1cr9 s PHE 209 Ca 0.34 0.80 -0.02 0.00 -0.96 0.00 0.00 56.93 57.08 1cr9 s PHE 209 Cb 0.02 0.03 -0.03 0.00 -0.34 0.00 0.00 43.02 42.71 1cr9 s PHE 209 CO 0.18 -0.25 -0.05 -0.80 -1.46 0.00 0.00 175.22 172.84 1cr9 s ASN 210 N 1.39 4.70 0.63 6.13 0.01 -1.26 -0.93 114.94 125.62 1cr9 s ASN 210 Ca -0.08 -0.12 -0.16 0.00 -0.71 0.00 0.00 52.86 51.79 1cr9 s ASN 210 Cb -0.11 -1.65 -0.01 0.00 0.41 0.00 0.00 41.25 39.90 1cr9 s ASN 210 CO -0.08 0.21 1.10 -0.13 -1.51 0.00 0.00 177.10 176.69 1cr9 s ARG 211 N 0.10 2.96 -1.44 -0.60 0.52 -0.14 -3.56 118.95 116.80 1cr9 s ARG 211 Ca -0.01 1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 56.45 1cr9 s ARG 211 Cb -0.14 -1.97 0.05 0.00 0.52 0.00 0.00 34.95 33.41 1cr9 s ARG 211 CO 0.03 -1.12 1.09 0.09 0.02 0.00 0.00 175.30 175.41 1cr9 n ASN 212 N -2.23 -5.60 0.00 0.23 3.02 -1.26 -4.87 115.26 104.55 1cr9 n ASN 212 Ca 0.10 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1cr9 n ASN 212 Cb 0.52 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.21 1cr9 n ASN 212 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1cr9 n GLU 213 N -4.85 0.00 0.00 3.52 2.13 -1.23 -5.27 120.64 114.93 1cr9 n GLU 213 Ca 0.02 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.93 1cr9 n GLU 213 Cb 0.54 -0.79 0.07 0.00 0.27 0.00 0.00 31.44 31.54 1cr9 n GLU 213 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72