#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s n LYS 2 N 0.00 0.00 -1.55 0.03 2.85 -1.26 -4.63 118.16 113.60 2x9s n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2x9s n LYS 2 Cb 0.00 -0.81 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 2x9s n LYS 2 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2x9s n GLY 3 N 1.74 3.21 0.00 2.58 0.00 -1.26 -2.67 105.19 108.79 2x9s n GLY 3 Ca 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2x9s n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2x9s n ILE 4 N 0.00 0.00 -1.91 -0.61 3.06 -1.03 -4.97 119.36 113.90 2x9s n ILE 4 Ca 0.00 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 59.96 2x9s n ILE 4 Cb 0.00 0.00 0.11 0.00 0.54 0.00 0.00 39.64 40.29 2x9s n ILE 4 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2x9s s LEU 5 N 0.00 2.54 0.00 9.51 1.43 -1.26 -1.50 118.68 129.40 2x9s s LEU 5 Ca 0.00 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2x9s s LEU 5 Cb 0.00 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.12 2x9s s LEU 5 CO 0.00 -2.04 0.00 0.61 0.23 0.00 0.00 176.35 175.15 2x9s n GLY 6 N -3.39 -1.35 3.03 -3.19 0.00 -0.47 -4.16 105.19 95.66 2x9s n GLY 6 Ca 0.09 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 2x9s n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x9s s VAL 7 N -2.52 0.31 -0.03 1.61 -7.23 -0.81 -1.12 120.40 110.61 2x9s s VAL 7 Ca 0.00 -1.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.75 2x9s s VAL 7 Cb 0.00 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 2x9s s VAL 7 CO 0.00 -0.54 0.94 -0.75 -0.31 0.00 0.00 175.10 174.44 2x9s s LYS 8 N -1.92 4.52 -0.17 4.82 2.20 -0.93 -0.83 119.74 127.43 2x9s s LYS 8 Ca -0.10 1.33 0.15 0.00 -0.36 0.00 0.00 55.97 56.99 2x9s s LYS 8 Cb -0.07 -3.47 -0.21 0.00 -1.51 0.00 0.00 37.83 32.57 2x9s s LYS 8 CO -0.02 -0.07 0.06 1.33 -0.36 0.00 0.00 175.35 176.29 2x9s n VAL 9 N 3.98 1.15 0.00 4.02 0.24 0.19 0.66 118.33 128.57 2x9s n VAL 9 Ca 0.05 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 2x9s n VAL 9 Cb 0.51 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 2x9s n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x9s n GLY 10 N 1.96 0.90 3.37 7.63 0.00 -1.23 -4.76 105.19 113.05 2x9s n GLY 10 Ca -0.27 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 43.76 2x9s n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2x9s s MET 11 N -1.29 1.49 0.00 1.61 0.23 -1.26 -0.00 119.30 120.08 2x9s s MET 11 Ca 0.00 -1.81 0.00 0.00 -1.03 0.00 0.00 55.69 52.85 2x9s s MET 11 Cb 0.00 -0.53 0.00 0.00 -1.53 0.00 0.00 34.83 32.77 2x9s s MET 11 CO 0.00 -0.23 0.00 0.25 -2.03 0.00 0.00 175.02 173.01 2x9s n THR 12 N -0.54 0.00 -4.14 3.16 -2.24 -0.66 -4.99 114.28 104.87 2x9s n THR 12 Ca -0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 2x9s n THR 12 Cb 0.66 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 2x9s n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x9s s ARG 13 N -0.07 0.83 0.30 -0.78 1.70 -1.26 -0.21 118.95 119.46 2x9s s ARG 13 Ca 0.00 -1.36 0.03 0.00 -0.47 0.00 0.00 55.73 53.93 2x9s s ARG 13 Cb 0.00 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.48 2x9s s ARG 13 CO 0.00 -0.17 0.17 0.96 -1.08 0.00 0.00 175.30 175.17 2x9s s ILE 14 N -3.93 0.27 -0.11 4.99 -4.36 -0.83 -4.91 121.20 112.33 2x9s s ILE 14 Ca 0.17 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 2x9s s ILE 14 Cb 0.07 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.26 2x9s s ILE 14 CO -0.03 0.00 -0.12 -0.36 0.24 0.00 0.00 174.94 174.67 2x9s s PHE 15 N -3.63 2.81 -0.05 1.37 0.08 -1.26 0.23 117.98 117.52 2x9s s PHE 15 Ca 0.36 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2x9s s PHE 15 Cb 0.05 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2x9s s PHE 15 CO 0.18 -0.08 -0.03 1.03 -0.10 0.00 0.00 175.22 176.22 2x9s s ARG 16 N 0.06 0.73 0.00 0.44 0.52 -0.92 -4.89 118.95 114.90 2x9s s ARG 16 Ca -0.04 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 2x9s s ARG 16 Cb -0.14 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.47 2x9s s ARG 16 CO 0.04 -0.15 0.00 -3.47 0.02 0.00 0.00 175.30 171.74 2x9s n ASP 17 N 4.38 0.00 0.00 0.23 4.64 -1.26 -1.88 116.55 122.65 2x9s n ASP 17 Ca -0.20 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.21 2x9s n ASP 17 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 2x9s n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2x9s n ASP 18 N 1.82 0.00 -3.71 1.67 -0.08 -1.26 -5.15 116.55 109.84 2x9s n ASP 18 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 2x9s n ASP 18 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 2x9s n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2x9s s ARG 19 N 0.00 0.31 0.18 -0.67 1.70 -0.79 -5.14 118.95 114.55 2x9s s ARG 19 Ca 0.00 0.65 -0.31 0.00 -0.47 0.00 0.00 55.73 55.61 2x9s s ARG 19 Cb 0.00 -0.05 -0.09 0.00 -0.57 0.00 0.00 34.95 34.24 2x9s s ARG 19 CO 0.00 -0.15 1.39 0.00 -1.08 0.00 0.00 175.30 175.46 2x9s s ALA 20 N 1.25 3.60 -0.23 7.88 0.00 -1.26 -2.16 121.76 130.83 2x9s s ALA 20 Ca -0.09 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.08 2x9s s ALA 20 Cb -0.09 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.56 2x9s s ALA 20 CO -0.10 -0.63 -0.08 0.14 0.00 0.00 0.00 175.76 175.08 2x9s s VAL 21 N 0.47 1.75 0.08 0.00 -7.23 0.14 -4.93 120.40 110.68 2x9s s VAL 21 Ca 0.61 -1.29 -0.31 0.00 -1.81 0.00 0.00 61.98 59.18 2x9s s VAL 21 Cb -0.39 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.55 2x9s s VAL 21 CO 0.36 -0.01 1.52 -2.16 -0.31 0.00 0.00 175.10 174.50 2x9s s PRO 22 N 1.31 4.25 0.07 4.82 0.04 -1.26 -1.96 135.00 142.27 2x9s s PRO 22 Ca -0.06 2.19 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2x9s s PRO 22 Cb -0.19 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 2x9s s PRO 22 CO -0.06 -0.61 -0.09 0.14 0.04 0.00 0.00 177.00 176.42 2x9s s VAL 23 N 1.97 0.75 -0.10 -0.36 -7.23 0.70 -2.04 120.40 114.09 2x9s s VAL 23 Ca 0.69 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.40 2x9s s VAL 23 Cb -0.38 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 2x9s s VAL 23 CO 0.30 -0.54 -0.14 0.28 -0.31 0.00 0.00 175.10 174.70 2x9s s THR 24 N -2.22 3.04 -0.44 5.32 -1.32 -0.70 -1.65 115.64 117.66 2x9s s THR 24 Ca 0.01 -0.69 -0.22 0.00 -1.21 0.00 0.00 61.69 59.58 2x9s s THR 24 Cb -0.04 -2.24 0.03 0.00 -1.51 0.00 0.00 72.50 68.73 2x9s s THR 24 CO -0.01 0.55 0.70 -0.69 -2.21 0.00 0.00 174.62 172.96 2x9s s VAL 25 N 0.01 4.76 -0.17 5.08 1.01 0.99 -2.86 120.40 129.22 2x9s s VAL 25 Ca -0.04 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 2x9s s VAL 25 Cb -0.14 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2x9s s VAL 25 CO 0.04 -0.65 0.10 -0.63 0.00 0.00 0.00 175.10 173.96 2x9s s ILE 26 N 3.00 5.13 -0.55 2.22 1.01 -0.55 -0.64 121.20 130.82 2x9s s ILE 26 Ca 0.25 0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 2x9s s ILE 26 Cb -0.13 -3.29 0.13 0.00 0.01 0.00 0.00 42.46 39.18 2x9s s ILE 26 CO 0.20 0.50 0.52 -0.22 0.00 0.00 0.00 174.94 175.94 2x9s s LEU 27 N -0.05 6.20 -1.25 2.97 2.96 -0.01 -1.00 118.68 128.49 2x9s s LEU 27 Ca 0.08 -1.82 -0.10 0.00 -0.22 0.00 0.00 54.13 52.07 2x9s s LEU 27 Cb -0.12 -2.21 0.18 0.00 0.50 0.00 0.00 46.19 44.54 2x9s s LEU 27 CO 0.00 -0.85 1.76 0.00 -1.32 0.00 0.00 176.35 175.94 2x9s n ALA 28 N 5.22 5.10 -0.82 5.97 0.00 -0.60 -1.93 120.51 133.44 2x9s n ALA 28 Ca -0.13 -4.35 -0.34 0.00 0.00 0.00 0.00 53.44 48.62 2x9s n ALA 28 Cb 0.40 -2.93 0.11 0.00 0.00 0.00 0.00 19.45 17.03 2x9s n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 29 N 2.88 -2.77 3.69 0.00 0.00 -1.26 -4.12 105.19 103.61 2x9s n GLY 29 Ca 0.38 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2x9s n GLY 29 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2x9s s PRO 30 N -3.07 4.14 -0.27 1.61 0.02 -1.26 -4.78 135.00 131.38 2x9s s PRO 30 Ca 0.51 2.59 -0.09 0.00 0.02 0.00 0.00 61.00 64.03 2x9s s PRO 30 Cb -0.14 -3.70 -0.02 0.00 0.02 0.00 0.00 34.50 30.66 2x9s s PRO 30 CO 0.70 -0.86 0.12 0.00 -0.33 0.00 0.00 177.00 176.62 2x9s s PRO 32 N 1.64 4.01 -0.76 0.00 0.02 -1.26 -1.37 135.00 137.28 2x9s s PRO 32 Ca 0.06 0.90 -0.26 0.00 0.02 0.00 0.00 61.00 61.72 2x9s s PRO 32 Cb -0.16 -3.75 -0.09 0.00 0.02 0.00 0.00 34.50 30.53 2x9s s PRO 32 CO 0.06 -0.87 2.22 0.54 -0.33 0.00 0.00 177.00 178.61 2x9s s VAL 33 N 3.50 3.17 -2.27 3.83 0.11 -1.26 -2.49 120.40 125.00 2x9s s VAL 33 Ca 0.42 -0.09 0.26 0.00 -2.93 0.00 0.00 61.98 59.64 2x9s s VAL 33 Cb -0.12 -3.41 0.62 0.00 -1.53 0.00 0.00 36.38 31.94 2x9s s VAL 33 CO 0.15 -0.39 1.83 0.55 -3.33 0.00 0.00 175.10 173.92 2x9s n VAL 34 N 8.25 0.04 0.00 2.04 3.14 -0.73 -4.89 118.33 126.17 2x9s n VAL 34 Ca 0.41 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.61 2x9s n VAL 34 Cb 0.47 0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 2x9s n VAL 34 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2x9s n GLN 35 N -0.22 0.00 -4.05 1.45 7.27 -1.19 -4.83 117.38 115.81 2x9s n GLN 35 Ca 0.19 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.99 2x9s n GLN 35 Cb 0.25 0.00 -0.17 0.00 2.41 0.00 0.00 30.24 32.73 2x9s n GLN 35 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2x9s s ARG 36 N -2.00 1.74 -0.16 3.69 0.52 -1.26 -0.83 118.95 120.65 2x9s s ARG 36 Ca 0.00 -0.35 -0.21 0.00 -0.52 0.00 0.00 55.73 54.65 2x9s s ARG 36 Cb 0.00 -1.68 -0.03 0.00 0.52 0.00 0.00 34.95 33.76 2x9s s ARG 36 CO 0.00 -0.21 0.60 1.03 0.02 0.00 0.00 175.30 176.74 2x9s s ARG 37 N 1.48 4.28 0.04 3.54 1.81 0.11 -4.96 118.95 125.25 2x9s s ARG 37 Ca 0.02 0.62 0.09 0.00 -1.72 0.00 0.00 55.73 54.73 2x9s s ARG 37 Cb -0.13 -3.52 -0.03 0.00 -0.45 0.00 0.00 34.95 30.82 2x9s s ARG 37 CO -0.07 -0.09 -0.25 0.95 -0.68 0.00 0.00 175.30 175.16 2x9s s THR 38 N 1.40 2.23 -2.00 0.02 -4.23 -1.26 -1.97 115.64 109.83 2x9s s THR 38 Ca 0.29 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2x9s s THR 38 Cb -0.16 -1.87 0.11 0.00 1.34 0.00 0.00 72.50 71.92 2x9s s THR 38 CO 0.12 0.38 0.60 -0.81 -0.54 0.00 0.00 174.62 174.36 2x9s n PRO 39 N 1.80 0.18 -0.08 3.99 -0.04 -1.26 -1.15 135.00 138.43 2x9s n PRO 39 Ca -0.17 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.23 2x9s n PRO 39 Cb 0.52 -1.33 -0.16 0.00 -0.04 0.00 0.00 33.50 32.49 2x9s n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2x9s n GLU 40 N -0.83 0.68 -0.05 0.54 1.02 -1.26 -4.00 120.64 116.74 2x9s n GLU 40 Ca 0.03 -0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 2x9s n GLU 40 Cb 0.01 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 29.91 2x9s n GLU 40 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2x9s n LYS 41 N -2.68 1.04 0.11 3.49 2.85 -0.91 -4.85 118.16 117.21 2x9s n LYS 41 Ca -0.28 -0.99 0.00 0.00 -1.05 0.00 0.00 58.31 55.99 2x9s n LYS 41 Cb 1.06 -0.72 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 2x9s n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2x9s n ASP 42 N -0.25 -0.27 0.00 -5.58 8.00 -0.30 -4.94 116.55 113.22 2x9s n ASP 42 Ca 0.01 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.90 2x9s n ASP 42 Cb 0.45 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 2x9s n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x9s n GLY 43 N 1.38 1.33 0.00 0.44 0.00 -0.70 -4.95 105.19 102.70 2x9s n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2x9s n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2x9s n TYR 44 N -0.67 0.00 -1.75 1.61 4.11 -1.26 -4.74 117.16 114.46 2x9s n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2x9s n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 2x9s n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2x9s n THR 45 N 0.00 -8.59 0.00 -3.48 -1.04 -1.19 -4.51 114.28 95.47 2x9s n THR 45 Ca 0.00 1.83 0.00 0.00 -2.04 0.00 0.00 64.05 63.84 2x9s n THR 45 Cb 0.00 -4.74 0.00 0.00 -1.82 0.00 0.00 70.33 63.77 2x9s n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x9s n ALA 46 N 1.05 0.00 -2.98 2.41 0.00 -0.83 -0.72 120.51 119.43 2x9s n ALA 46 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2x9s n ALA 46 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2x9s n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x9s s VAL 47 N -1.86 4.09 0.01 0.00 0.11 -0.97 0.08 120.40 121.85 2x9s s VAL 47 Ca 0.00 -0.28 -0.23 0.00 -2.93 0.00 0.00 61.98 58.54 2x9s s VAL 47 Cb 0.00 -2.83 -0.05 0.00 -1.53 0.00 0.00 36.38 31.97 2x9s s VAL 47 CO 0.00 0.46 0.69 -1.58 -3.33 0.00 0.00 175.10 171.34 2x9s s GLN 48 N 0.64 4.42 0.27 1.54 0.74 -0.01 -1.30 119.66 125.97 2x9s s GLN 48 Ca -0.00 0.91 0.10 0.00 0.05 0.00 0.00 55.36 56.42 2x9s s GLN 48 Cb -0.14 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 2x9s s GLN 48 CO 0.02 0.27 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.37 2x9s s LEU 49 N 0.06 2.59 0.44 3.68 1.43 -0.06 -1.78 118.68 125.04 2x9s s LEU 49 Ca 0.36 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 52.44 2x9s s LEU 49 Cb -0.19 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 2x9s s LEU 49 CO 0.20 -0.11 0.12 -0.83 0.23 0.00 0.00 176.35 175.96 2x9s s GLY 50 N -3.47 2.50 0.00 -3.19 0.00 -1.04 -1.59 107.32 100.53 2x9s s GLY 50 Ca 0.29 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.18 2x9s s GLY 50 CO 0.13 -2.02 0.00 0.33 0.00 0.00 0.00 173.10 171.54 2x9s n PHE 51 N -1.21 0.00 -1.49 1.90 -0.00 -0.16 -4.00 117.46 112.50 2x9s n PHE 51 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.99 2x9s n PHE 51 Cb 0.66 0.00 -0.12 0.00 -0.00 0.00 0.00 39.48 40.01 2x9s n PHE 51 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2x9s n LEU 52 N 0.00 0.78 -0.07 -2.13 7.99 -1.26 -4.62 117.00 117.69 2x9s n LEU 52 Ca 0.00 0.08 -0.11 0.00 -0.01 0.00 0.00 56.01 55.97 2x9s n LEU 52 Cb 0.00 -1.06 -0.08 0.00 -0.11 0.00 0.00 43.42 42.17 2x9s n LEU 52 CO 0.00 -0.90 0.50 -0.65 -1.51 0.00 0.00 177.39 174.83 2x9s h PRO 53 N 13.38 -0.34 0.00 3.23 0.11 -1.92 0.27 132.00 146.73 2x9s h PRO 53 Ca -0.10 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2x9s h PRO 53 Cb 1.31 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2x9s h PRO 53 CO 1.31 -0.23 0.00 1.04 -0.21 0.00 0.00 178.00 179.92 2x9s n GLN 54 N -4.73 0.00 0.00 1.05 6.02 -1.26 -4.01 117.38 114.45 2x9s n GLN 54 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2x9s n GLN 54 Cb 0.27 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.53 2x9s n GLN 54 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2x9s n ASN 55 N 0.00 0.00 -3.49 1.08 5.03 -1.26 -3.64 115.26 112.97 2x9s n ASN 55 Ca 0.00 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.07 2x9s n ASN 55 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 2x9s n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2x9s n PRO 56 N 0.00 1.25 -2.80 3.52 -0.02 -1.26 -4.49 135.00 131.20 2x9s n PRO 56 Ca 0.00 -1.56 -0.02 0.00 -2.02 0.00 0.00 63.50 59.90 2x9s n PRO 56 Cb 0.00 -2.72 -0.02 0.00 -0.02 0.00 0.00 33.50 30.75 2x9s n PRO 56 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2x9s n LYS 57 N 6.62 -2.43 -0.55 -0.52 3.00 -1.26 -4.95 118.16 118.06 2x9s n LYS 57 Ca 0.46 1.96 -0.00 0.00 -0.00 0.00 0.00 58.31 60.73 2x9s n LYS 57 Cb 0.34 -2.33 -0.00 0.00 0.00 0.00 0.00 35.03 33.04 2x9s n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2x9s n ARG 58 N 2.21 0.00 -0.00 1.64 1.74 -1.26 -5.01 116.66 115.97 2x9s n ARG 58 Ca -0.14 -0.54 -0.00 0.00 -0.77 0.00 0.00 57.85 56.40 2x9s n ARG 58 Cb 0.21 -0.21 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2x9s n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2x9s h VAL 59 N 5.95 0.00 0.00 1.55 3.04 -1.93 -3.50 116.25 121.37 2x9s h VAL 59 Ca -0.03 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2x9s h VAL 59 Cb 1.22 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2x9s h VAL 59 CO -0.01 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.09 2x9s n ASN 60 N -2.20 0.00 -0.19 3.17 0.23 -1.26 -3.59 115.26 111.41 2x9s n ASN 60 Ca -0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.07 2x9s n ASN 60 Cb 0.00 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.75 2x9s n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2x9s n ARG 61 N 13.92 -0.07 -0.54 -3.83 3.00 -1.26 0.19 116.66 128.07 2x9s n ARG 61 Ca 0.00 0.79 -0.03 0.00 -0.00 0.00 0.00 57.85 58.62 2x9s n ARG 61 Cb 0.00 -1.18 0.01 0.00 0.00 0.00 0.00 32.46 31.28 2x9s n ARG 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2x9s n PRO 62 N -4.80 1.14 -2.90 -0.14 -0.04 -1.24 -4.78 135.00 122.23 2x9s n PRO 62 Ca 0.07 -0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 62.83 2x9s n PRO 62 Cb 0.24 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 2x9s n PRO 62 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2x9s s LEU 63 N -0.31 4.68 -0.98 1.53 0.20 0.13 -4.91 118.68 119.02 2x9s s LEU 63 Ca 0.05 -1.39 -0.03 0.00 0.69 0.00 0.00 54.13 53.46 2x9s s LEU 63 Cb 0.04 -2.40 0.28 0.00 -0.43 0.00 0.00 46.19 43.68 2x9s s LEU 63 CO -0.00 -1.29 1.22 0.29 -0.29 0.00 0.00 176.35 176.28 2x9s n LYS 64 N 7.22 3.78 -0.00 1.98 5.02 -1.26 -4.67 118.16 130.23 2x9s n LYS 64 Ca 0.05 -4.56 0.00 0.00 -2.02 0.00 0.00 58.31 51.79 2x9s n LYS 64 Cb 0.46 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 2x9s n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x9s n GLY 65 N 1.53 1.57 0.29 0.72 0.00 -1.26 -3.35 105.19 104.69 2x9s n GLY 65 Ca 0.26 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.46 2x9s n GLY 65 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2x9s h HIS 66 N 0.00 0.00 -3.98 1.61 6.17 -1.96 -3.43 115.15 113.56 2x9s h HIS 66 Ca 0.00 0.00 -0.68 0.00 0.71 0.00 0.00 60.37 60.40 2x9s h HIS 66 Cb 0.57 0.00 -0.23 0.00 2.52 0.00 0.00 27.41 30.27 2x9s h HIS 66 CO 0.00 0.00 -0.87 -0.06 0.71 0.00 0.00 177.93 177.71 2x9s s PHE 67 N -3.76 2.28 0.00 5.26 0.08 -1.21 -5.06 117.98 115.57 2x9s s PHE 67 Ca 0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.66 2x9s s PHE 67 Cb 0.10 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.29 2x9s s PHE 67 CO 0.52 0.30 0.56 0.00 -0.10 0.00 0.00 175.22 176.50 2x9s n ALA 68 N 1.06 -0.01 0.40 5.36 0.00 -1.26 -0.99 120.51 125.08 2x9s n ALA 68 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2x9s n ALA 68 Cb 0.53 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.22 2x9s n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x9s n LYS 69 N -1.17 0.35 0.00 0.00 5.02 -1.26 -4.05 118.16 117.06 2x9s n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2x9s n LYS 69 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2x9s n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x9s n ALA 70 N 0.21 0.55 -1.14 7.82 0.00 -0.16 -4.70 120.51 123.10 2x9s n ALA 70 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.96 2x9s n ALA 70 Cb 0.08 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 2x9s n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 71 N -0.97 0.03 1.76 0.00 0.00 -1.26 -3.59 105.19 101.17 2x9s n GLY 71 Ca 0.00 0.78 -0.03 0.00 0.00 0.00 0.00 46.02 46.77 2x9s n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2x9s n VAL 72 N 3.73 -1.01 -1.56 1.61 0.31 -1.26 -4.72 118.33 115.43 2x9s n VAL 72 Ca 0.30 0.19 -0.39 0.00 -0.01 0.00 0.00 64.34 64.43 2x9s n VAL 72 Cb -0.04 -1.37 -0.04 0.00 -0.91 0.00 0.00 33.84 31.48 2x9s n VAL 72 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2x9s n GLU 73 N 0.71 1.31 -0.40 5.55 4.71 -1.24 -4.73 120.64 126.55 2x9s n GLU 73 Ca -0.01 0.19 -0.13 0.00 -0.01 0.00 0.00 57.16 57.20 2x9s n GLU 73 Cb 0.24 -3.26 -0.01 0.00 -1.01 0.00 0.00 31.44 27.40 2x9s n GLU 73 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2x9s n PRO 74 N 8.87 0.00 0.25 3.49 -0.02 -1.25 -4.86 135.00 141.47 2x9s n PRO 74 Ca 0.36 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.67 2x9s n PRO 74 Cb 0.48 -0.29 -0.09 0.00 -0.02 0.00 0.00 33.50 33.58 2x9s n PRO 74 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2x9s h VAL 75 N 0.20 0.13 0.00 -1.45 2.07 -0.51 0.20 116.25 116.88 2x9s h VAL 75 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2x9s h VAL 75 Cb 0.42 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2x9s h VAL 75 CO 0.15 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.28 2x9s n ARG 76 N -5.52 0.65 0.00 1.57 3.00 -1.26 -4.91 116.66 110.20 2x9s n ARG 76 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 2x9s n ARG 76 Cb 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.59 2x9s n ARG 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2x9s n ILE 77 N 0.30 0.00 -3.90 0.55 2.08 0.69 -4.75 119.36 114.33 2x9s n ILE 77 Ca 0.00 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 2x9s n ILE 77 Cb 0.20 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 38.97 2x9s n ILE 77 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2x9s s LEU 78 N 0.00 1.92 0.09 1.39 0.05 -1.26 -0.99 118.68 119.88 2x9s s LEU 78 Ca 0.00 -0.13 0.03 0.00 0.05 0.00 0.00 54.13 54.09 2x9s s LEU 78 Cb 0.00 0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 44.31 2x9s s LEU 78 CO 0.00 -0.15 -0.10 -0.13 -0.55 0.00 0.00 176.35 175.43 2x9s s ARG 79 N -0.61 0.79 0.20 1.48 3.00 -0.62 -4.92 118.95 118.27 2x9s s ARG 79 Ca -0.07 -1.09 -0.10 0.00 0.00 0.00 0.00 55.73 54.46 2x9s s ARG 79 Cb -0.04 -0.48 -0.07 0.00 0.00 0.00 0.00 34.95 34.36 2x9s s ARG 79 CO -0.00 0.07 0.54 -1.21 0.00 0.00 0.00 175.30 174.70 2x9s s GLU 80 N -2.62 3.83 -0.27 3.54 2.02 -1.26 -0.88 118.70 123.06 2x9s s GLU 80 Ca 0.03 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.34 2x9s s GLU 80 Cb -0.04 -2.73 0.07 0.00 0.10 0.00 0.00 34.13 31.53 2x9s s GLU 80 CO -0.00 0.37 -0.04 0.42 0.02 0.00 0.00 175.26 176.03 2x9s s ILE 81 N -1.72 1.82 0.55 -1.63 -1.09 -0.42 -4.97 121.20 113.73 2x9s s ILE 81 Ca 0.44 -1.58 -0.22 0.00 -2.23 0.00 0.00 60.65 57.07 2x9s s ILE 81 Cb -0.12 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.60 2x9s s ILE 81 CO 0.21 -0.22 1.30 -1.14 -1.23 0.00 0.00 174.94 173.85 2x9s n ARG 82 N 4.53 1.58 -4.10 2.79 3.00 -1.26 -2.30 116.66 120.90 2x9s n ARG 82 Ca -0.09 0.58 -0.35 0.00 -0.00 0.00 0.00 57.85 58.00 2x9s n ARG 82 Cb 0.43 -2.50 -0.03 0.00 0.00 0.00 0.00 32.46 30.36 2x9s n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2x9s n ASP 83 N -0.89 -1.52 -3.44 6.15 10.43 0.10 -4.69 116.55 122.69 2x9s n ASP 83 Ca 0.11 -1.20 -0.18 0.00 2.57 0.00 0.00 54.79 56.08 2x9s n ASP 83 Cb 0.44 -2.12 -0.11 0.00 1.84 0.00 0.00 41.12 41.17 2x9s n ASP 83 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 2x9s s PHE 84 N -3.94 -0.33 -0.61 1.24 5.99 -1.23 -2.03 117.98 117.06 2x9s s PHE 84 Ca 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 56.93 57.00 2x9s s PHE 84 Cb -0.10 -0.46 0.16 0.00 0.00 0.00 0.00 43.02 42.62 2x9s s PHE 84 CO 0.95 -0.80 0.45 1.21 -0.00 0.00 0.00 175.22 177.03 2x9s s ASN 85 N 2.33 5.52 0.99 6.13 3.84 -1.26 -2.81 114.94 129.68 2x9s s ASN 85 Ca 0.09 -2.62 -0.11 0.00 0.21 0.00 0.00 52.86 50.42 2x9s s ASN 85 Cb -0.15 -1.92 0.18 0.00 -0.55 0.00 0.00 41.25 38.81 2x9s s ASN 85 CO -0.26 -0.46 1.09 -2.16 -2.79 0.00 0.00 177.10 172.52 2x9s s PRO 86 N 0.28 0.48 0.00 0.43 0.04 -1.26 -4.76 135.00 130.21 2x9s s PRO 86 Ca 0.15 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.20 2x9s s PRO 86 Cb -0.20 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 2x9s s PRO 86 CO -0.04 -2.85 0.72 -0.85 0.04 0.00 0.00 177.00 174.03 2x9s n GLU 87 N -4.33 0.00 0.00 4.56 0.28 -1.26 -3.99 120.64 115.89 2x9s n GLU 87 Ca 0.07 -0.22 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 2x9s n GLU 87 Cb 0.54 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.08 2x9s n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2x9s n GLY 88 N 3.79 0.00 3.61 -1.84 0.00 -1.26 -4.66 105.19 104.83 2x9s n GLY 88 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2x9s n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x9s s ASP 89 N -0.42 -0.07 0.00 1.61 2.15 -1.26 -5.07 116.67 113.62 2x9s s ASP 89 Ca 0.00 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.89 2x9s s ASP 89 Cb 0.00 0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 2x9s s ASP 89 CO 0.00 -0.25 0.00 0.41 -0.17 0.00 0.00 175.17 175.16 2x9s n THR 90 N -0.39 0.00 -4.01 1.71 -1.04 -1.26 -4.95 114.28 104.34 2x9s n THR 90 Ca -0.06 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.59 2x9s n THR 90 Cb 0.62 -0.06 -0.08 0.00 -1.82 0.00 0.00 70.33 68.98 2x9s n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2x9s s VAL 91 N -0.02 5.02 0.25 12.58 1.01 -0.47 -4.91 120.40 133.87 2x9s s VAL 91 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2x9s s VAL 91 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2x9s s VAL 91 CO 0.00 0.55 0.10 0.42 0.00 0.00 0.00 175.10 176.17 2x9s s THR 92 N -0.45 0.52 0.51 3.92 -4.23 -1.26 -0.73 115.64 113.92 2x9s s THR 92 Ca 0.10 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.97 2x9s s THR 92 Cb -0.12 -2.62 0.55 0.00 1.34 0.00 0.00 72.50 71.65 2x9s s THR 92 CO 0.02 -0.01 1.73 0.58 -0.54 0.00 0.00 174.62 176.40 2x9s h VAL 93 N 2.41 0.31 -0.05 2.29 2.07 -1.87 -1.48 116.25 119.94 2x9s h VAL 93 Ca -0.38 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2x9s h VAL 93 Cb 1.25 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2x9s h VAL 93 CO 0.60 0.01 0.73 -0.08 0.02 0.00 0.00 177.57 178.85 2x9s h GLU 94 N 0.08 0.00 0.00 1.57 4.57 -1.95 -1.41 114.58 117.43 2x9s h GLU 94 Ca 0.67 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.85 2x9s h GLU 94 Cb 2.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.05 2x9s h GLU 94 CO -0.11 0.00 0.00 0.82 -1.18 0.00 0.00 179.01 178.54 2x9s h ILE 95 N 0.00 0.00 -3.24 2.32 1.08 -1.69 -3.41 117.51 112.57 2x9s h ILE 95 Ca 0.02 -0.07 -0.66 0.00 -0.39 0.00 0.00 64.86 63.77 2x9s h ILE 95 Cb 1.47 0.85 -0.34 0.00 -3.07 0.00 0.00 36.82 35.74 2x9s h ILE 95 CO -0.00 0.00 -0.86 -0.36 -0.69 0.00 0.00 178.15 176.23 2x9s s PHE 96 N -3.82 2.50 -0.06 1.37 0.08 -0.53 -5.09 117.98 112.43 2x9s s PHE 96 Ca -0.03 -1.20 -0.04 0.00 0.12 0.00 0.00 56.93 55.78 2x9s s PHE 96 Cb 0.10 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 2x9s s PHE 96 CO 0.34 -0.55 0.13 0.15 -0.10 0.00 0.00 175.22 175.20 2x9s s LYS 97 N 0.75 3.35 0.30 0.44 1.02 -1.26 -4.80 119.74 119.54 2x9s s LYS 97 Ca -0.09 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 2x9s s LYS 97 Cb -0.16 -3.08 -0.13 0.00 -0.52 0.00 0.00 37.83 33.94 2x9s s LYS 97 CO 0.00 0.72 1.19 -2.30 -0.92 0.00 0.00 175.35 174.05 2x9s n PRO 98 N 1.54 1.77 0.00 -1.68 -0.02 -1.26 -2.47 135.00 132.88 2x9s n PRO 98 Ca -0.16 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2x9s n PRO 98 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2x9s n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9s n GLY 99 N 1.21 1.07 3.88 -1.23 0.00 0.18 -4.98 105.19 105.33 2x9s n GLY 99 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2x9s n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x9s s GLU 100 N -0.83 2.07 -0.00 1.61 2.02 -1.03 -4.71 118.70 117.83 2x9s s GLU 100 Ca 0.00 0.23 0.06 0.00 0.02 0.00 0.00 54.97 55.29 2x9s s GLU 100 Cb 0.00 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 2x9s s GLU 100 CO 0.00 -1.55 -0.18 1.03 0.02 0.00 0.00 175.26 174.58 2x9s s ARG 101 N -5.48 2.23 0.15 1.61 1.81 -1.26 -0.72 118.95 117.29 2x9s s ARG 101 Ca 0.61 -0.87 0.03 0.00 -1.72 0.00 0.00 55.73 53.78 2x9s s ARG 101 Cb -0.12 -2.22 -0.04 0.00 -0.45 0.00 0.00 34.95 32.12 2x9s s ARG 101 CO 0.50 0.57 -0.06 0.14 -0.68 0.00 0.00 175.30 175.77 2x9s s VAL 102 N -0.79 0.95 -0.26 3.52 -7.23 0.33 -1.22 120.40 115.69 2x9s s VAL 102 Ca 0.13 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2x9s s VAL 102 Cb -0.10 -1.91 0.05 0.00 0.56 0.00 0.00 36.38 34.98 2x9s s VAL 102 CO 0.02 -0.68 -0.08 -1.81 -0.31 0.00 0.00 175.10 172.23 2x9s s ASP 103 N -3.15 4.45 -0.11 4.85 1.01 -0.82 0.20 116.67 123.10 2x9s s ASP 103 Ca 0.18 -1.26 -0.15 0.00 0.71 0.00 0.00 52.55 52.03 2x9s s ASP 103 Cb 0.04 -1.60 -0.05 0.00 1.01 0.00 0.00 42.92 42.33 2x9s s ASP 103 CO 0.01 -0.19 0.35 -0.69 0.21 0.00 0.00 175.17 174.86 2x9s s VAL 104 N 1.17 5.22 -0.11 -1.27 1.01 -0.33 -2.63 120.40 123.46 2x9s s VAL 104 Ca -0.06 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.64 2x9s s VAL 104 Cb -0.19 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2x9s s VAL 104 CO -0.05 0.43 -0.22 -0.89 0.00 0.00 0.00 175.10 174.37 2x9s s THR 105 N 0.04 2.16 0.21 3.92 2.01 -0.68 -0.64 115.64 122.67 2x9s s THR 105 Ca 0.20 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2x9s s THR 105 Cb -0.14 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.53 2x9s s THR 105 CO 0.08 0.55 0.30 0.61 -0.69 0.00 0.00 174.62 175.47 2x9s n GLY 106 N 3.63 2.50 3.45 4.40 0.00 0.14 -1.47 105.19 117.84 2x9s n GLY 106 Ca -0.19 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 2x9s n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x9s s THR 107 N -2.66 4.54 0.88 2.61 2.01 -1.26 -0.77 115.64 120.98 2x9s s THR 107 Ca 0.17 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 2x9s s THR 107 Cb -0.01 -3.23 0.11 0.00 0.01 0.00 0.00 72.50 69.39 2x9s s THR 107 CO 0.13 0.18 1.12 -1.54 -0.69 0.00 0.00 174.62 173.82 2x9s n SER 108 N 4.96 0.44 -4.77 3.53 3.41 0.11 -2.69 113.62 118.62 2x9s n SER 108 Ca -0.15 0.48 -0.40 0.00 -0.26 0.00 0.00 58.87 58.54 2x9s n SER 108 Cb 0.50 -1.47 -0.02 0.00 -0.26 0.00 0.00 64.21 62.96 2x9s n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2x9s s LYS 109 N -4.34 4.28 -0.39 4.33 1.02 -1.26 -1.12 119.74 122.26 2x9s s LYS 109 Ca 0.69 2.18 -0.26 0.00 0.02 0.00 0.00 55.97 58.60 2x9s s LYS 109 Cb -0.25 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 2x9s s LYS 109 CO 0.56 -0.24 0.95 0.20 -0.92 0.00 0.00 175.35 175.90 2x9s s GLY 110 N -0.56 1.54 0.00 -3.33 0.00 -1.26 -1.07 107.32 102.63 2x9s s GLY 110 Ca 0.51 -0.47 0.24 0.00 0.00 0.00 0.00 44.72 44.99 2x9s s GLY 110 CO 0.51 2.06 1.71 0.54 0.00 0.00 0.00 173.10 177.92 2x9s n ARG 111 N 6.91 1.49 0.00 2.90 1.74 0.36 -4.83 116.66 125.24 2x9s n ARG 111 Ca 0.08 -0.73 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 2x9s n ARG 111 Cb 0.48 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 2x9s n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9s n GLY 112 N 1.06 0.66 3.69 -0.13 0.00 -1.20 -4.48 105.19 104.78 2x9s n GLY 112 Ca 0.17 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2x9s n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2x9s s PHE 113 N 0.00 1.98 -0.03 1.61 5.99 -1.26 -1.57 117.98 124.69 2x9s s PHE 113 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 56.93 56.86 2x9s s PHE 113 Cb 0.00 -4.20 -0.01 0.00 0.00 0.00 0.00 43.02 38.82 2x9s s PHE 113 CO 0.00 -5.03 -0.16 0.00 -0.00 0.00 0.00 175.22 170.03 2x9s s ALA 114 N 3.04 1.44 0.76 11.12 0.00 0.10 -4.91 121.76 133.31 2x9s s ALA 114 Ca 0.82 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 2x9s s ALA 114 Cb -0.46 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.26 2x9s s ALA 114 CO 0.37 0.29 1.10 0.20 0.00 0.00 0.00 175.76 177.72 2x9s s GLY 115 N -0.07 1.63 1.10 0.00 0.00 -1.26 -1.16 107.32 107.56 2x9s s GLY 115 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.32 2x9s s GLY 115 CO 0.01 0.13 1.05 -1.34 0.00 0.00 0.00 173.10 172.96 2x9s s VAL 116 N -3.25 2.07 -0.32 1.40 -7.23 -1.26 -2.40 120.40 109.42 2x9s s VAL 116 Ca 0.60 0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.77 2x9s s VAL 116 Cb -0.13 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2x9s s VAL 116 CO 0.53 -0.03 0.33 0.80 -0.31 0.00 0.00 175.10 176.41 2x9s n MET 117 N -4.70 -0.78 0.00 4.82 0.00 -1.26 -4.56 117.12 110.65 2x9s n MET 117 Ca 0.05 1.07 0.00 0.00 -0.00 0.00 0.00 57.70 58.81 2x9s n MET 117 Cb 0.54 -3.56 0.00 0.00 0.00 0.00 0.00 33.22 30.21 2x9s n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2x9s n LYS 118 N -1.11 0.00 -0.05 2.12 4.81 -1.25 -4.68 118.16 118.00 2x9s n LYS 118 Ca 0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.39 2x9s n LYS 118 Cb 0.43 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.60 2x9s n LYS 118 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2x9s h ARG 119 N 0.00 0.66 0.00 1.64 1.12 -1.71 -3.35 114.38 112.73 2x9s h ARG 119 Ca 0.00 -0.27 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 2x9s h ARG 119 Cb 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2x9s h ARG 119 CO 0.00 0.86 0.00 0.91 -3.11 0.00 0.00 179.97 178.63 2x9s n TRP 120 N -4.10 0.00 -4.03 2.20 7.02 -1.26 -5.02 117.44 112.25 2x9s n TRP 120 Ca -0.00 -0.23 -0.29 0.00 -1.02 0.00 0.00 57.50 55.96 2x9s n TRP 120 Cb 0.44 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.29 2x9s n TRP 120 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2x9s n ASN 121 N -0.23 -1.35 -4.86 -0.99 5.15 -1.26 -4.55 115.26 107.18 2x9s n ASN 121 Ca 0.00 -1.00 -0.29 0.00 -0.60 0.00 0.00 54.58 52.69 2x9s n ASN 121 Cb 0.37 -3.00 0.09 0.00 -0.53 0.00 0.00 39.78 36.71 2x9s n ASN 121 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2x9s s PHE 122 N -3.75 2.93 -0.12 1.20 0.40 -1.26 -4.79 117.98 112.59 2x9s s PHE 122 Ca 0.24 0.92 0.16 0.00 -0.60 0.00 0.00 56.93 57.65 2x9s s PHE 122 Cb -0.13 -3.30 -0.15 0.00 0.51 0.00 0.00 43.02 39.95 2x9s s PHE 122 CO 0.90 -1.75 0.79 0.00 0.70 0.00 0.00 175.22 175.86 2x9s n ALA 123 N -3.35 1.89 -0.55 5.36 0.00 -1.26 -4.44 120.51 118.16 2x9s n ALA 123 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2x9s n ALA 123 Cb 0.59 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2x9s n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 124 N 1.42 -0.65 3.96 0.00 0.00 -1.26 -4.91 105.19 103.74 2x9s n GLY 124 Ca -0.11 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 2x9s n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x9s s GLY 125 N -2.82 2.16 0.44 -0.02 0.00 0.18 -4.92 107.32 102.34 2x9s s GLY 125 Ca 0.00 -1.50 -0.23 0.00 0.00 0.00 0.00 44.72 42.99 2x9s s GLY 125 CO 0.00 -1.88 1.10 2.56 0.00 0.00 0.00 173.10 174.87 2x9s s PRO 126 N -4.45 3.92 0.16 2.90 0.04 -1.26 -4.76 135.00 131.54 2x9s s PRO 126 Ca 0.42 1.60 0.24 0.00 0.04 0.00 0.00 61.00 63.31 2x9s s PRO 126 Cb -0.03 -2.41 0.92 0.00 0.04 0.00 0.00 34.50 33.02 2x9s s PRO 126 CO 0.27 -0.37 1.75 -0.25 0.04 0.00 0.00 177.00 178.43 2x9s n ASP 127 N -0.41 0.51 0.00 6.66 9.92 -1.26 -4.65 116.55 127.32 2x9s n ASP 127 Ca 0.07 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 2x9s n ASP 127 Cb 0.49 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 2x9s n ASP 127 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2x9s n SER 128 N -2.01 0.00 0.00 -2.24 3.41 -1.26 -5.03 113.62 106.49 2x9s n SER 128 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2x9s n SER 128 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2x9s n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2x9s n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.70 115.22 124.84 2x9s n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2x9s n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2x9s n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x9s n GLY 130 N 0.00 -2.45 3.42 -1.41 0.00 -1.26 -4.94 105.19 98.55 2x9s n GLY 130 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2x9s n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s s ALA 131 N -2.28 -0.24 0.00 4.61 0.00 -1.26 -4.98 121.76 117.60 2x9s s ALA 131 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2x9s s ALA 131 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2x9s s ALA 131 CO 0.00 -4.19 0.48 1.58 0.00 0.00 0.00 175.76 173.63 2x9s n HIS 132 N -5.28 0.00 -0.78 0.00 -0.00 -1.26 -4.73 115.22 103.16 2x9s n HIS 132 Ca 0.12 -0.04 0.08 0.00 0.46 0.00 0.00 57.72 58.34 2x9s n HIS 132 Cb 0.59 -0.00 0.24 0.00 -0.12 0.00 0.00 29.99 30.70 2x9s n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2x9s n LYS 133 N -0.04 3.03 -0.12 1.57 5.02 -1.26 -4.47 118.16 121.89 2x9s n LYS 133 Ca 0.00 -2.67 0.05 0.00 -2.02 0.00 0.00 58.31 53.67 2x9s n LYS 133 Cb 0.05 -1.73 0.07 0.00 -0.02 0.00 0.00 35.03 33.41 2x9s n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2x9s n ILE 134 N -0.16 1.23 -0.30 -0.18 -6.64 -1.26 -4.89 119.36 107.15 2x9s n ILE 134 Ca 0.19 -1.42 0.08 0.00 -1.77 0.00 0.00 62.75 59.83 2x9s n ILE 134 Cb 0.79 0.15 0.19 0.00 -1.44 0.00 0.00 39.64 39.34 2x9s n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 2x9s h HIS 135 N 0.00 -0.17 -0.20 4.28 3.86 -1.83 -1.17 115.15 119.93 2x9s h HIS 135 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2x9s h HIS 135 Cb 0.95 0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2x9s h HIS 135 CO 0.02 -0.34 0.00 0.54 0.86 0.00 0.00 177.93 179.00 2x9s n ARG 136 N -5.46 2.54 -2.16 2.45 1.74 -1.26 0.47 116.66 114.98 2x9s n ARG 136 Ca 0.17 -2.74 -0.32 0.00 -0.77 0.00 0.00 57.85 54.19 2x9s n ARG 136 Cb 0.56 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 2x9s n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2x9s s HIS 137 N -2.75 3.43 0.31 -1.55 3.76 -0.45 -4.79 115.29 113.26 2x9s s HIS 137 Ca 0.39 1.42 0.25 0.00 -0.15 0.00 0.00 55.06 56.97 2x9s s HIS 137 Cb 0.31 -2.80 1.20 0.00 1.11 0.00 0.00 32.58 32.40 2x9s s HIS 137 CO 0.08 -0.60 1.96 -1.00 -0.85 0.00 0.00 174.74 174.33 2x9s h PRO 138 N 0.42 0.00 0.00 8.40 0.13 -1.95 -3.37 132.00 135.64 2x9s h PRO 138 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2x9s h PRO 138 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2x9s h PRO 138 CO 0.61 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 2x9s n GLY 139 N -0.37 0.71 3.87 1.56 0.00 -1.26 -4.89 105.19 104.81 2x9s n GLY 139 Ca -0.01 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 2x9s n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x9s s SER 140 N -4.00 6.62 0.00 1.61 0.15 -1.26 -5.00 113.70 111.82 2x9s s SER 140 Ca 0.00 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2x9s s SER 140 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2x9s s SER 140 CO 0.00 -0.19 0.52 2.30 1.20 0.00 0.00 173.24 177.08 2x9s n ILE 141 N -0.54 0.27 -2.24 6.45 -5.35 -1.26 -5.11 119.36 111.59 2x9s n ILE 141 Ca 0.01 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2x9s n ILE 141 Cb 0.53 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 2x9s n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x9s n GLY 142 N -0.14 2.65 0.00 3.28 0.00 -1.26 -4.70 105.19 105.02 2x9s n GLY 142 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2x9s n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x9s n ASN 143 N -0.12 0.00 0.00 1.61 5.03 -1.26 -5.14 115.26 115.38 2x9s n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2x9s n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2x9s n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2x9s n ARG 144 N 0.00 0.00 -0.17 3.52 1.74 -1.26 -4.94 116.66 115.55 2x9s n ARG 144 Ca 0.00 0.00 0.20 0.00 -0.77 0.00 0.00 57.85 57.28 2x9s n ARG 144 Cb 0.00 0.00 0.58 0.00 -1.02 0.00 0.00 32.46 32.02 2x9s n ARG 144 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2x9s h LYS 145 N 0.00 0.25 -4.58 5.56 3.11 -2.02 -2.24 116.57 116.64 2x9s h LYS 145 Ca 0.00 -0.02 -0.50 0.00 -2.81 0.00 0.00 60.65 57.33 2x9s h LYS 145 Cb 0.00 -0.06 -0.33 0.00 -1.00 0.00 0.00 32.23 30.85 2x9s h LYS 145 CO 0.00 0.17 -0.81 0.95 -2.81 0.00 0.00 179.45 176.95 2x9s s THR 146 N -5.26 1.05 -0.16 1.00 -4.23 -1.26 -2.82 115.64 103.96 2x9s s THR 146 Ca -0.07 -0.45 0.29 0.00 -1.18 0.00 0.00 61.69 60.28 2x9s s THR 146 Cb 0.22 -0.96 0.32 0.00 1.34 0.00 0.00 72.50 73.42 2x9s s THR 146 CO 0.77 0.33 1.86 1.55 -0.54 0.00 0.00 174.62 178.59 2x9s h PRO 147 N 6.82 0.00 -4.41 3.99 0.13 -1.95 -3.45 132.00 133.13 2x9s h PRO 147 Ca -0.32 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.53 2x9s h PRO 147 Cb 1.18 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.41 2x9s h PRO 147 CO 0.48 0.00 -0.48 0.41 -0.23 0.00 0.00 178.00 178.18 2x9s n GLY 148 N -0.07 -0.10 3.59 1.56 0.00 -0.84 -4.98 105.19 104.34 2x9s n GLY 148 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2x9s n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x9s s ARG 149 N -5.89 0.41 0.04 1.61 1.70 -1.26 -5.05 118.95 110.51 2x9s s ARG 149 Ca 0.40 -0.06 -0.20 0.00 -0.47 0.00 0.00 55.73 55.40 2x9s s ARG 149 Cb -0.18 0.19 -0.06 0.00 -0.57 0.00 0.00 34.95 34.33 2x9s s ARG 149 CO 0.51 -0.16 0.58 0.08 -1.08 0.00 0.00 175.30 175.24 2x9s s VAL 150 N -1.95 4.80 0.06 4.99 1.01 -1.26 -4.81 120.40 123.23 2x9s s VAL 150 Ca 0.06 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 2x9s s VAL 150 Cb -0.01 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 2x9s s VAL 150 CO -0.04 0.50 1.86 -0.31 0.00 0.00 0.00 175.10 177.10 2x9s s TYR 151 N -0.72 1.73 -0.05 5.22 2.02 -1.26 -4.92 117.35 119.37 2x9s s TYR 151 Ca 0.30 -0.18 -0.33 0.00 -0.37 0.00 0.00 57.07 56.49 2x9s s TYR 151 Cb -0.19 -4.16 -0.11 0.00 -0.40 0.00 0.00 41.96 37.10 2x9s s TYR 151 CO 0.18 -5.01 1.92 1.17 -1.57 0.00 0.00 175.55 172.24 2x9s n LYS 152 N 6.75 2.41 0.00 -0.62 3.00 -1.26 -1.27 118.16 127.16 2x9s n LYS 152 Ca 0.19 0.88 0.00 0.00 -0.00 0.00 0.00 58.31 59.38 2x9s n LYS 152 Cb 0.40 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 32.67 2x9s n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2x9s n GLY 153 N 4.46 1.13 3.56 3.14 0.00 -1.26 -5.07 105.19 111.16 2x9s n GLY 153 Ca 0.22 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.68 2x9s n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x9s n LYS 154 N -0.60 0.58 -2.54 1.61 3.00 -0.40 -4.88 118.16 114.95 2x9s n LYS 154 Ca 0.00 0.21 -0.43 0.00 -0.00 0.00 0.00 58.31 58.09 2x9s n LYS 154 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 35.03 33.22 2x9s n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2x9s s LYS 155 N 0.55 4.23 0.17 1.64 1.02 -1.26 -4.99 119.74 121.09 2x9s s LYS 155 Ca 0.89 1.49 0.03 0.00 0.02 0.00 0.00 55.97 58.40 2x9s s LYS 155 Cb -1.13 -3.71 -0.01 0.00 -0.52 0.00 0.00 37.83 32.46 2x9s s LYS 155 CO 0.54 -0.70 0.11 -1.33 -0.92 0.00 0.00 175.35 173.06 2x9s n MET 156 N 6.52 0.36 -1.47 1.68 2.81 -1.26 -5.03 117.12 120.72 2x9s n MET 156 Ca 0.13 -1.59 -0.29 0.00 -1.81 0.00 0.00 57.70 54.14 2x9s n MET 156 Cb 0.45 1.17 0.15 0.00 -0.71 0.00 0.00 33.22 34.29 2x9s n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2x9s s ALA 157 N -2.60 1.60 0.00 3.04 0.00 -1.26 -4.62 121.76 117.91 2x9s s ALA 157 Ca 0.16 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2x9s s ALA 157 Cb 0.01 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2x9s s ALA 157 CO 0.11 -2.44 0.00 0.41 0.00 0.00 0.00 175.76 173.84 2x9s n GLY 158 N -2.03 -1.09 3.64 0.00 0.00 -0.31 -4.95 105.19 100.45 2x9s n GLY 158 Ca 0.07 -1.58 -0.47 0.00 0.00 0.00 0.00 46.02 44.04 2x9s n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x9s n HIS 159 N 0.49 1.94 -3.94 1.61 -0.00 -1.26 -0.72 115.22 113.34 2x9s n HIS 159 Ca 0.00 0.47 -0.19 0.00 -0.00 0.00 0.00 57.72 58.00 2x9s n HIS 159 Cb 0.00 -2.43 -0.17 0.00 -0.00 0.00 0.00 29.99 27.40 2x9s n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2x9s s TYR 160 N 0.18 0.46 0.00 1.57 6.04 -0.61 -4.84 117.35 120.15 2x9s s TYR 160 Ca 0.73 -0.06 0.00 0.00 0.04 0.00 0.00 57.07 57.78 2x9s s TYR 160 Cb -0.73 -0.54 0.00 0.00 -1.04 0.00 0.00 41.96 39.65 2x9s s TYR 160 CO 0.47 -0.18 0.00 0.41 -1.54 0.00 0.00 175.55 174.71 2x9s n GLY 161 N 4.36 -1.93 3.15 8.97 0.00 -1.26 0.14 105.19 118.63 2x9s n GLY 161 Ca -0.21 -1.81 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 2x9s n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s n ALA 162 N 0.01 -1.03 -2.63 4.61 0.00 -0.23 -4.66 120.51 116.58 2x9s n ALA 162 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 2x9s n ALA 162 Cb 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 19.45 15.53 2x9s n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2x9s s GLU 163 N -5.84 2.07 0.09 0.00 -1.05 -1.24 -4.80 118.70 107.93 2x9s s GLU 163 Ca 0.35 -2.30 -0.31 0.00 -0.15 0.00 0.00 54.97 52.57 2x9s s GLU 163 Cb -0.16 -0.99 -0.06 0.00 -0.44 0.00 0.00 34.13 32.47 2x9s s GLU 163 CO 0.44 -0.45 1.22 0.50 0.95 0.00 0.00 175.26 177.91 2x9s s ARG 164 N -3.77 4.43 -0.06 -4.83 3.52 -1.26 -0.71 118.95 116.27 2x9s s ARG 164 Ca 0.15 1.82 -0.03 0.00 -0.13 0.00 0.00 55.73 57.54 2x9s s ARG 164 Cb 0.02 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 2x9s s ARG 164 CO 0.09 -0.24 0.14 0.08 -0.81 0.00 0.00 175.30 174.57 2x9s s VAL 165 N 0.83 -0.03 -0.11 7.11 1.01 0.05 -4.88 120.40 124.37 2x9s s VAL 165 Ca 0.58 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2x9s s VAL 165 Cb -0.31 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2x9s s VAL 165 CO 0.31 0.05 -0.15 -0.89 0.00 0.00 0.00 175.10 174.42 2x9s s THR 166 N 0.84 1.53 -0.13 3.92 2.01 -1.26 -0.68 115.64 121.86 2x9s s THR 166 Ca -0.06 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 2x9s s THR 166 Cb -0.08 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2x9s s THR 166 CO -0.04 0.45 0.03 0.54 -0.69 0.00 0.00 174.62 174.90 2x9s s VAL 167 N 1.05 4.52 0.24 3.82 0.11 0.19 -4.95 120.40 125.39 2x9s s VAL 167 Ca -0.05 -0.15 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 2x9s s VAL 167 Cb -0.15 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 2x9s s VAL 167 CO -0.03 0.55 0.12 -0.04 -3.33 0.00 0.00 175.10 172.37 2x9s s MET 168 N -0.37 2.70 -1.15 1.54 -1.94 -1.26 -1.19 119.30 117.62 2x9s s MET 168 Ca 0.08 -1.15 -0.16 0.00 -1.71 0.00 0.00 55.69 52.75 2x9s s MET 168 Cb -0.12 -2.43 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 2x9s s MET 168 CO 0.02 0.40 0.79 -1.71 -0.01 0.00 0.00 175.02 174.51 2x9s n ASN 169 N -0.94 -4.92 -4.86 3.03 5.15 -0.44 -4.94 115.26 107.34 2x9s n ASN 169 Ca -0.08 -0.95 -0.35 0.00 -0.60 0.00 0.00 54.58 52.60 2x9s n ASN 169 Cb 0.58 -3.71 -0.06 0.00 -0.53 0.00 0.00 39.78 36.06 2x9s n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x9s s LEU 170 N -6.34 4.37 0.30 1.20 1.02 0.13 -4.74 118.68 114.62 2x9s s LEU 170 Ca 0.41 0.89 -0.27 0.00 0.02 0.00 0.00 54.13 55.17 2x9s s LEU 170 Cb -0.13 -2.96 -0.09 0.00 0.02 0.00 0.00 46.19 43.02 2x9s s LEU 170 CO 0.84 0.19 0.97 -0.70 0.02 0.00 0.00 176.35 177.67 2x9s s GLU 171 N -1.76 4.62 -0.71 1.70 2.12 -1.26 -0.51 118.70 122.90 2x9s s GLU 171 Ca 0.32 1.45 -0.19 0.00 0.36 0.00 0.00 54.97 56.91 2x9s s GLU 171 Cb -0.15 -2.95 0.12 0.00 0.26 0.00 0.00 34.13 31.41 2x9s s GLU 171 CO 0.17 0.29 0.85 0.08 -0.54 0.00 0.00 175.26 176.12 2x9s s VAL 172 N -1.44 4.79 0.03 3.70 1.01 0.10 -2.00 120.40 126.59 2x9s s VAL 172 Ca 0.48 -1.17 0.32 0.00 0.00 0.00 0.00 61.98 61.62 2x9s s VAL 172 Cb -0.23 -4.59 0.38 0.00 0.00 0.00 0.00 36.38 31.94 2x9s s VAL 172 CO 0.29 -1.27 1.95 0.58 0.00 0.00 0.00 175.10 176.65 2x9s h VAL 173 N 5.79 0.00 0.00 2.92 2.07 -0.48 0.51 116.25 127.07 2x9s h VAL 173 Ca -0.15 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2x9s h VAL 173 Cb 1.06 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2x9s h VAL 173 CO 1.08 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 178.00 2x9s n ASP 174 N -3.03 0.00 -3.67 0.57 4.64 -1.13 -4.85 116.55 109.08 2x9s n ASP 174 Ca 0.01 0.00 -0.17 0.00 -1.38 0.00 0.00 54.79 53.24 2x9s n ASP 174 Cb 0.31 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.23 2x9s n ASP 174 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2x9s s VAL 175 N -2.00 -0.21 -0.91 5.18 0.11 -1.26 -0.09 120.40 121.22 2x9s s VAL 175 Ca 0.00 0.37 -0.03 0.00 -2.93 0.00 0.00 61.98 59.39 2x9s s VAL 175 Cb 0.00 -0.25 0.22 0.00 -1.53 0.00 0.00 36.38 34.82 2x9s s VAL 175 CO 0.00 0.15 0.80 -0.63 -3.33 0.00 0.00 175.10 172.10 2x9s s ILE 176 N 2.20 4.55 0.59 7.04 1.01 -0.57 -4.91 121.20 131.11 2x9s s ILE 176 Ca 0.03 -3.74 0.29 0.00 0.00 0.00 0.00 60.65 57.22 2x9s s ILE 176 Cb -0.12 -3.82 0.39 0.00 0.01 0.00 0.00 42.46 38.92 2x9s s ILE 176 CO -0.05 -1.09 1.89 1.55 0.00 0.00 0.00 174.94 177.24 2x9s h PRO 177 N 6.17 0.00 -0.69 2.79 0.13 -1.94 -1.05 132.00 137.41 2x9s h PRO 177 Ca 0.15 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.31 2x9s h PRO 177 Cb 0.83 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 2x9s h PRO 177 CO 0.87 0.00 0.46 1.49 -0.23 0.00 0.00 178.00 180.58 2x9s h GLU 178 N 0.00 0.84 -0.09 0.86 4.57 -1.95 -2.92 114.58 115.90 2x9s h GLU 178 Ca 0.23 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2x9s h GLU 178 Cb 1.23 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2x9s h GLU 178 CO -0.00 0.56 0.00 -1.91 -1.18 0.00 0.00 179.01 176.47 2x9s n GLU 179 N -4.45 2.85 -2.76 1.92 4.07 -0.60 -4.98 120.64 116.68 2x9s n GLU 179 Ca 0.08 -1.74 -0.20 0.00 -0.06 0.00 0.00 57.16 55.24 2x9s n GLU 179 Cb 0.10 -1.12 0.02 0.00 -0.06 0.00 0.00 31.44 30.38 2x9s n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2x9s n ASN 180 N -0.34 -5.69 -4.88 4.31 3.02 -0.50 -4.92 115.26 106.26 2x9s n ASN 180 Ca 0.04 -0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.11 2x9s n ASN 180 Cb 0.33 -4.59 -0.04 0.00 -0.61 0.00 0.00 39.78 34.88 2x9s n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2x9s s LEU 181 N -5.94 3.96 -0.09 3.41 1.02 -0.74 -1.56 118.68 118.74 2x9s s LEU 181 Ca 0.19 0.98 -0.04 0.00 0.02 0.00 0.00 54.13 55.28 2x9s s LEU 181 Cb -0.08 -3.82 0.04 0.00 0.02 0.00 0.00 46.19 42.35 2x9s s LEU 181 CO 0.23 -0.28 0.20 -0.22 0.02 0.00 0.00 176.35 176.30 2x9s s LEU 182 N -3.59 0.44 -0.19 1.79 2.96 -0.17 -1.51 118.68 118.41 2x9s s LEU 182 Ca 0.49 0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.79 2x9s s LEU 182 Cb -0.10 0.54 -0.01 0.00 0.50 0.00 0.00 46.19 47.12 2x9s s LEU 182 CO 0.29 -0.17 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.32 2x9s s LEU 183 N 1.40 2.87 0.33 -0.68 1.02 0.88 -1.48 118.68 123.02 2x9s s LEU 183 Ca -0.07 -0.35 0.10 0.00 0.02 0.00 0.00 54.13 53.82 2x9s s LEU 183 Cb -0.11 -1.71 -0.06 0.00 0.02 0.00 0.00 46.19 44.34 2x9s s LEU 183 CO -0.07 0.05 -0.06 0.68 0.02 0.00 0.00 176.35 176.96 2x9s s VAL 184 N 1.08 2.47 -0.32 -1.59 -7.23 -1.13 0.30 120.40 113.97 2x9s s VAL 184 Ca 0.01 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.00 2x9s s VAL 184 Cb -0.15 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 2x9s s VAL 184 CO -0.01 -0.23 1.43 0.29 -0.31 0.00 0.00 175.10 176.27 2x9s n LYS 185 N -0.84 0.72 -0.30 4.82 4.76 -0.85 -1.73 118.16 124.76 2x9s n LYS 185 Ca -0.05 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 2x9s n LYS 185 Cb 0.62 -2.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 2x9s n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x9s n GLY 186 N 4.01 0.00 2.68 0.72 0.00 -0.86 -4.84 105.19 106.89 2x9s n GLY 186 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 2x9s n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s n ALA 187 N -1.34 -3.58 -3.71 4.61 0.00 -1.26 -4.79 120.51 110.44 2x9s n ALA 187 Ca 0.00 1.35 -0.17 0.00 0.00 0.00 0.00 53.44 54.61 2x9s n ALA 187 Cb 0.44 -2.65 -0.16 0.00 0.00 0.00 0.00 19.45 17.08 2x9s n ALA 187 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2x9s s VAL 188 N -1.21 0.18 0.80 0.00 1.01 -1.26 -5.02 120.40 114.90 2x9s s VAL 188 Ca -0.13 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 2x9s s VAL 188 Cb 0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 2x9s s VAL 188 CO 0.79 0.15 0.09 -0.81 0.00 0.00 0.00 175.10 175.32 2x9s n PRO 189 N 4.23 0.07 0.00 2.72 -0.04 -1.26 -4.85 135.00 135.86 2x9s n PRO 189 Ca -0.25 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2x9s n PRO 189 Cb 0.50 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2x9s n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x9s n GLY 190 N 2.19 -0.76 3.90 0.55 0.00 -1.09 -4.56 105.19 105.41 2x9s n GLY 190 Ca 0.06 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 2x9s n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x9s s PRO 191 N -3.14 2.58 0.55 1.61 0.04 -1.26 -4.91 135.00 130.47 2x9s s PRO 191 Ca 0.00 0.25 -0.21 0.00 0.04 0.00 0.00 61.00 61.08 2x9s s PRO 191 Cb 0.00 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2x9s s PRO 191 CO 0.00 -1.15 1.26 -0.80 0.04 0.00 0.00 177.00 176.35 2x9s s ASN 192 N -4.42 5.38 0.00 6.66 0.02 -1.26 -2.55 114.94 118.76 2x9s s ASN 192 Ca 0.59 2.53 0.00 0.00 -1.02 0.00 0.00 52.86 54.96 2x9s s ASN 192 Cb -0.11 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.55 2x9s s ASN 192 CO 0.50 -1.48 0.00 0.61 0.02 0.00 0.00 177.10 176.75 2x9s n GLY 193 N 0.61 0.58 3.94 0.66 0.00 0.21 -4.96 105.19 106.23 2x9s n GLY 193 Ca 0.11 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2x9s n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x9s s GLY 194 N -2.16 1.63 0.26 -0.02 0.00 -1.06 -4.87 107.32 101.10 2x9s s GLY 194 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 2x9s s GLY 194 CO 0.00 -1.08 0.99 -2.27 0.00 0.00 0.00 173.10 170.74 2x9s s LEU 195 N -3.35 4.60 -0.11 0.66 2.96 -1.26 -2.19 118.68 119.99 2x9s s LEU 195 Ca 0.34 2.04 -0.11 0.00 -0.22 0.00 0.00 54.13 56.18 2x9s s LEU 195 Cb -0.11 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 42.97 2x9s s LEU 195 CO 0.28 0.05 0.31 0.68 -1.32 0.00 0.00 176.35 176.36 2x9s s VAL 196 N -1.20 0.00 -0.04 1.68 -7.23 -0.28 -4.35 120.40 108.99 2x9s s VAL 196 Ca 0.43 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 2x9s s VAL 196 Cb -0.27 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 2x9s s VAL 196 CO 0.34 -0.01 -0.00 0.27 -0.31 0.00 0.00 175.10 175.39 2x9s s ILE 197 N 0.09 4.18 -0.27 -0.62 -4.36 -0.54 -1.37 121.20 118.32 2x9s s ILE 197 Ca -0.01 -0.46 0.03 0.00 -0.26 0.00 0.00 60.65 59.95 2x9s s ILE 197 Cb -0.02 -2.81 0.06 0.00 1.25 0.00 0.00 42.46 40.93 2x9s s ILE 197 CO 0.01 0.48 -0.10 -0.69 0.24 0.00 0.00 174.94 174.88 2x9s s VAL 198 N -0.99 2.24 0.48 8.37 1.01 -0.56 -1.68 120.40 129.26 2x9s s VAL 198 Ca 0.17 -1.64 0.07 0.00 0.00 0.00 0.00 61.98 60.58 2x9s s VAL 198 Cb -0.11 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2x9s s VAL 198 CO 0.07 -0.06 0.45 -0.13 0.00 0.00 0.00 175.10 175.43 2x9s s ARG 199 N 1.11 2.43 0.21 2.72 0.52 -1.08 -2.47 118.95 122.38 2x9s s ARG 199 Ca -0.08 -1.68 -0.23 0.00 -0.52 0.00 0.00 55.73 53.22 2x9s s ARG 199 Cb -0.20 -2.35 -0.08 0.00 0.52 0.00 0.00 34.95 32.84 2x9s s ARG 199 CO -0.05 -0.41 0.77 -1.83 0.02 0.00 0.00 175.30 173.80 2x9s s GLU 200 N -4.26 4.43 0.95 3.54 1.03 -1.09 -1.94 118.70 121.37 2x9s s GLU 200 Ca 0.46 1.05 -0.10 0.00 0.03 0.00 0.00 54.97 56.41 2x9s s GLU 200 Cb -0.03 -3.05 0.17 0.00 -0.80 0.00 0.00 34.13 30.41 2x9s s GLU 200 CO 0.28 0.47 1.13 -0.08 -1.33 0.00 0.00 175.26 175.73 2x9s s THR 201 N -1.36 2.01 -0.29 1.83 -1.32 -0.36 -4.51 115.64 111.65 2x9s s THR 201 Ca 0.40 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.80 2x9s s THR 201 Cb -0.20 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.78 2x9s s THR 201 CO 0.24 -0.00 0.11 -0.54 -2.21 0.00 0.00 174.62 172.21 2x9s s LYS 202 N -4.61 3.38 0.00 7.08 3.01 -1.26 -4.27 119.74 123.07 2x9s s LYS 202 Ca 0.67 -0.67 0.00 0.00 -1.01 0.00 0.00 55.97 54.96 2x9s s LYS 202 Cb -0.23 -3.44 0.00 0.00 -1.01 0.00 0.00 37.83 33.15 2x9s s LYS 202 CO 0.59 -0.35 0.00 0.36 0.51 0.00 0.00 175.35 176.46 2x9s n LYS 203 N 4.93 0.00 0.08 1.68 -0.00 -1.26 -4.99 118.16 118.60 2x9s n LYS 203 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 2x9s n LYS 203 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.53 2x9s n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2x9s n ALA 204 N 0.00 3.00 0.00 0.58 0.00 -1.26 -5.30 120.51 117.53 2x9s n ALA 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2x9s n ALA 204 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2x9s n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50