#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9t s PHE 6 N 0.00 2.21 0.00 2.11 0.40 -1.26 -5.00 117.98 116.45 2x9t s PHE 6 Ca 0.00 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 2x9t s PHE 6 Cb 0.00 -2.63 0.00 0.00 0.51 0.00 0.00 43.02 40.90 2x9t s PHE 6 CO 0.00 -1.06 0.65 0.39 0.70 0.00 0.00 175.22 175.90 2x9t n GLU 7 N -2.35 0.00 -1.37 0.44 4.71 0.17 -4.84 120.64 117.40 2x9t n GLU 7 Ca 0.11 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 2x9t n GLU 7 Cb 0.60 -1.15 0.00 0.00 -1.01 0.00 0.00 31.44 29.88 2x9t n GLU 7 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2x9t n GLU 8 N -1.39 0.00 -3.75 3.49 2.13 -1.25 -4.91 120.64 114.95 2x9t n GLU 8 Ca 0.00 0.46 -0.37 0.00 0.66 0.00 0.00 57.16 57.91 2x9t n GLU 8 Cb 0.00 -1.01 -0.11 0.00 0.27 0.00 0.00 31.44 30.59 2x9t n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2x9t s LYS 9 N -0.21 3.83 -0.87 5.31 2.20 0.14 -4.96 119.74 125.17 2x9t s LYS 9 Ca 0.00 -0.39 -0.20 0.00 -0.36 0.00 0.00 55.97 55.01 2x9t s LYS 9 Cb 0.00 -3.41 0.10 0.00 -1.51 0.00 0.00 37.83 33.01 2x9t s LYS 9 CO 0.00 -0.08 1.14 1.41 -0.36 0.00 0.00 175.35 177.46 2x9t s MET 10 N 1.38 3.46 0.00 4.03 -2.45 -1.26 -1.22 119.30 123.24 2x9t s MET 10 Ca 0.06 -1.40 0.00 0.00 -1.25 0.00 0.00 55.69 53.10 2x9t s MET 10 Cb -0.15 -4.79 0.00 0.00 1.25 0.00 0.00 34.83 31.14 2x9t s MET 10 CO 0.05 -1.86 0.00 -0.89 1.05 0.00 0.00 175.02 173.38 2x9t n ILE 11 N 5.83 0.00 -4.18 10.11 5.41 -0.96 -4.94 119.36 130.64 2x9t n ILE 11 Ca 0.18 0.07 -0.27 0.00 1.00 0.00 0.00 62.75 63.73 2x9t n ILE 11 Cb 0.48 -1.01 -0.08 0.00 -0.71 0.00 0.00 39.64 38.32 2x9t n ILE 11 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2x9t s LEU 12 N 0.00 3.37 -0.01 1.39 -0.00 -1.23 -4.99 118.68 117.20 2x9t s LEU 12 Ca 0.00 -0.33 0.04 0.00 -0.00 0.00 0.00 54.13 53.84 2x9t s LEU 12 Cb 0.00 -2.04 -0.01 0.00 -0.00 0.00 0.00 46.19 44.14 2x9t s LEU 12 CO 0.00 0.11 -0.13 -0.63 -0.00 0.00 0.00 176.35 175.70 2x9t s ILE 13 N -1.61 1.00 -0.08 1.48 1.01 -1.26 -2.08 121.20 119.67 2x9t s ILE 13 Ca 0.27 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 2x9t s ILE 13 Cb -0.10 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.57 2x9t s ILE 13 CO 0.19 0.29 0.16 0.00 0.00 0.00 0.00 174.94 175.57 2x9t s ARG 14 N -0.25 0.08 -1.15 2.79 1.70 -0.70 -4.99 118.95 116.43 2x9t s ARG 14 Ca 0.04 0.45 -0.18 0.00 -0.47 0.00 0.00 55.73 55.57 2x9t s ARG 14 Cb -0.05 -0.20 0.10 0.00 -0.57 0.00 0.00 34.95 34.22 2x9t s ARG 14 CO -0.00 -0.21 1.49 0.50 -1.08 0.00 0.00 175.30 176.00 2x9t s ARG 15 N 1.57 3.85 0.04 3.89 3.52 -1.26 -1.84 118.95 128.72 2x9t s ARG 15 Ca -0.05 -1.88 -0.01 0.00 -0.13 0.00 0.00 55.73 53.67 2x9t s ARG 15 Cb -0.12 -5.28 0.01 0.00 -1.56 0.00 0.00 34.95 28.00 2x9t s ARG 15 CO -0.06 -2.05 0.05 0.25 -0.81 0.00 0.00 175.30 172.68 2x9t n THR 16 N 5.95 0.00 -3.61 4.11 -2.24 -0.43 -4.88 114.28 113.19 2x9t n THR 16 Ca 0.38 -0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 62.09 2x9t n THR 16 Cb 0.47 -1.57 -0.02 0.00 -2.10 0.00 0.00 70.33 67.11 2x9t n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x9t s ALA 17 N -3.58 -2.11 0.09 6.98 0.00 -1.26 -2.98 121.76 118.90 2x9t s ALA 17 Ca 0.03 1.66 0.03 0.00 0.00 0.00 0.00 51.96 53.68 2x9t s ALA 17 Cb -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2x9t s ALA 17 CO 0.02 -0.59 -0.08 -0.98 0.00 0.00 0.00 175.76 174.13 2x9t s ARG 18 N -2.32 0.80 0.72 0.00 1.70 -0.83 -4.99 118.95 114.03 2x9t s ARG 18 Ca 0.10 -1.17 -0.04 0.00 -0.47 0.00 0.00 55.73 54.15 2x9t s ARG 18 Cb -0.01 -0.37 0.11 0.00 -0.57 0.00 0.00 34.95 34.11 2x9t s ARG 18 CO -0.04 0.04 1.00 -1.64 -1.08 0.00 0.00 175.30 173.58 2x9t s MET 19 N -3.04 1.80 0.00 3.89 -1.94 -1.26 -1.82 119.30 116.93 2x9t s MET 19 Ca 0.06 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 2x9t s MET 19 Cb -0.01 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.58 2x9t s MET 19 CO -0.02 -1.40 0.00 0.94 -0.01 0.00 0.00 175.02 174.53 2x9t n GLN 20 N -2.89 0.00 -0.64 2.03 0.00 -1.21 -4.79 117.38 109.87 2x9t n GLN 20 Ca 0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.90 2x9t n GLN 20 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.86 2x9t n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2x9t n ALA 21 N -0.52 -4.06 -3.29 1.69 0.00 -1.26 -2.97 120.51 110.09 2x9t n ALA 21 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 2x9t n ALA 21 Cb 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 2x9t n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9t n GLY 22 N 2.06 -0.49 0.00 0.00 0.00 -1.26 -4.77 105.19 100.73 2x9t n GLY 22 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2x9t n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9t n GLY 23 N -1.18 1.81 3.65 -0.02 0.00 -1.16 -5.05 105.19 103.25 2x9t n GLY 23 Ca -0.03 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 2x9t n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x9t s ARG 24 N -1.55 3.64 -0.26 1.61 1.70 -1.26 -3.36 118.95 119.47 2x9t s ARG 24 Ca 0.00 -0.36 -0.06 0.00 -0.47 0.00 0.00 55.73 54.84 2x9t s ARG 24 Cb 0.00 -3.06 -0.00 0.00 -0.57 0.00 0.00 34.95 31.31 2x9t s ARG 24 CO 0.00 0.42 0.03 0.50 -1.08 0.00 0.00 175.30 175.18 2x9t s ARG 25 N -0.08 3.26 0.00 3.89 3.52 -0.76 -4.99 118.95 123.80 2x9t s ARG 25 Ca 0.06 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 2x9t s ARG 25 Cb -0.12 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 2x9t s ARG 25 CO 0.01 -0.32 0.00 1.19 -0.81 0.00 0.00 175.30 175.37 2x9t n PHE 26 N 4.84 -0.03 0.00 5.12 3.01 -1.26 -1.96 117.46 127.18 2x9t n PHE 26 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2x9t n PHE 26 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2x9t n PHE 26 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2x9t n ARG 27 N 0.00 0.00 -4.39 -1.08 0.63 -1.16 -4.73 116.66 105.93 2x9t n ARG 27 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 2x9t n ARG 27 Cb 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.79 2x9t n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2x9t s PHE 28 N -2.00 2.34 -0.03 -0.14 0.40 -0.63 -1.32 117.98 116.61 2x9t s PHE 28 Ca 0.00 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 2x9t s PHE 28 Cb 0.00 -1.20 -0.00 0.00 0.51 0.00 0.00 43.02 42.32 2x9t s PHE 28 CO 0.00 0.43 -0.13 0.20 0.70 0.00 0.00 175.22 176.42 2x9t s GLY 29 N -2.42 0.70 -0.07 4.36 0.00 -0.76 -1.53 107.32 107.60 2x9t s GLY 29 Ca 0.18 -0.52 0.03 0.00 0.00 0.00 0.00 44.72 44.41 2x9t s GLY 29 CO 0.09 -0.27 -0.14 0.00 0.00 0.00 0.00 173.10 172.77 2x9t s ALA 30 N 0.02 1.39 -0.25 3.20 0.00 0.82 -1.73 121.76 125.21 2x9t s ALA 30 Ca -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 2x9t s ALA 30 Cb -0.09 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.47 2x9t s ALA 30 CO 0.01 0.15 -0.06 -1.17 0.00 0.00 0.00 175.76 174.69 2x9t s LEU 31 N 0.56 3.25 0.04 0.00 1.98 -0.88 -0.30 118.68 123.34 2x9t s LEU 31 Ca -0.14 -0.91 0.07 0.00 -2.89 0.00 0.00 54.13 50.26 2x9t s LEU 31 Cb -0.16 -1.67 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 2x9t s LEU 31 CO 0.04 -0.14 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.46 2x9t s VAL 32 N 1.32 1.71 0.24 1.68 1.01 -0.06 -2.25 120.40 124.04 2x9t s VAL 32 Ca -0.00 -1.22 0.08 0.00 0.00 0.00 0.00 61.98 60.84 2x9t s VAL 32 Cb -0.17 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2x9t s VAL 32 CO -0.04 0.22 0.08 -0.69 0.00 0.00 0.00 175.10 174.67 2x9t s VAL 33 N -0.80 3.93 -0.28 2.92 1.01 -0.36 -1.11 120.40 125.71 2x9t s VAL 33 Ca 0.08 -1.59 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 2x9t s VAL 33 Cb -0.09 -3.08 0.09 0.00 0.00 0.00 0.00 36.38 33.30 2x9t s VAL 33 CO 0.02 -0.30 0.78 0.54 0.00 0.00 0.00 175.10 176.14 2x9t s VAL 34 N -2.11 0.00 0.37 2.92 0.11 -0.04 0.24 120.40 121.89 2x9t s VAL 34 Ca 0.31 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.21 2x9t s VAL 34 Cb -0.08 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.82 2x9t s VAL 34 CO 0.22 0.00 0.75 -0.83 -3.33 0.00 0.00 175.10 171.91 2x9t s GLY 35 N 1.05 0.44 0.00 6.54 0.00 -1.26 0.10 107.32 114.20 2x9t s GLY 35 Ca -0.05 -0.79 0.08 0.00 0.00 0.00 0.00 44.72 43.95 2x9t s GLY 35 CO -0.11 -0.36 0.48 2.09 0.00 0.00 0.00 173.10 175.20 2x9t n ASP 36 N -1.33 0.85 -0.46 1.64 5.68 -1.16 0.46 116.55 122.23 2x9t n ASP 36 Ca -0.07 -0.93 -0.04 0.00 -0.50 0.00 0.00 54.79 53.25 2x9t n ASP 36 Cb 0.60 0.62 -0.01 0.00 -1.14 0.00 0.00 41.12 41.19 2x9t n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2x9t n ARG 37 N -0.55 -0.34 -3.10 0.11 1.74 -1.00 -4.94 116.66 108.58 2x9t n ARG 37 Ca 0.03 0.36 -0.18 0.00 -0.77 0.00 0.00 57.85 57.29 2x9t n ARG 37 Cb 0.15 -4.09 -0.02 0.00 -1.02 0.00 0.00 32.46 27.48 2x9t n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2x9t n GLN 38 N -1.89 0.90 -0.11 5.56 1.13 -1.26 -4.41 117.38 117.29 2x9t n GLN 38 Ca -0.05 -3.04 0.00 0.00 -1.94 0.00 0.00 57.00 51.97 2x9t n GLN 38 Cb 0.41 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.29 2x9t n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x9t n GLY 39 N 0.68 1.23 3.53 1.08 0.00 -1.17 -4.93 105.19 105.61 2x9t n GLY 39 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2x9t n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x9t s ARG 40 N -0.08 3.80 -0.02 1.61 0.52 -1.26 0.32 118.95 123.83 2x9t s ARG 40 Ca 0.00 -0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2x9t s ARG 40 Cb 0.00 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.18 2x9t s ARG 40 CO 0.00 0.00 0.05 0.08 0.02 0.00 0.00 175.30 175.45 2x9t s VAL 41 N 1.12 -0.00 -0.01 3.52 1.01 -0.72 -2.99 120.40 122.33 2x9t s VAL 41 Ca 0.04 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2x9t s VAL 41 Cb -0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2x9t s VAL 41 CO 0.03 0.01 -0.09 -0.83 0.00 0.00 0.00 175.10 174.22 2x9t s GLY 42 N 0.10 0.43 -0.13 4.51 0.00 0.12 0.24 107.32 112.59 2x9t s GLY 42 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2x9t s GLY 42 CO -0.00 -0.33 -0.13 -2.27 0.00 0.00 0.00 173.10 170.37 2x9t s LEU 43 N -0.24 1.59 0.00 0.66 2.96 -1.09 -0.86 118.68 121.71 2x9t s LEU 43 Ca 0.03 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2x9t s LEU 43 Cb -0.04 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 2x9t s LEU 43 CO -0.00 -0.05 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.10 2x9t s GLY 44 N 1.43 0.24 -0.03 7.98 0.00 -0.26 -4.60 107.32 112.08 2x9t s GLY 44 Ca 0.03 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.53 2x9t s GLY 44 CO -0.08 -0.26 -0.20 -0.12 0.00 0.00 0.00 173.10 172.44 2x9t s PHE 45 N -0.33 1.85 0.01 1.90 5.36 -1.26 -0.88 117.98 124.63 2x9t s PHE 45 Ca -0.01 -0.41 -0.16 0.00 -0.96 0.00 0.00 56.93 55.39 2x9t s PHE 45 Cb -0.03 -1.20 0.03 0.00 -0.34 0.00 0.00 43.02 41.47 2x9t s PHE 45 CO -0.00 -0.08 0.35 0.20 -1.46 0.00 0.00 175.22 174.23 2x9t s GLY 46 N -0.34 -0.19 0.16 13.12 0.00 0.59 -4.80 107.32 115.87 2x9t s GLY 46 Ca 0.04 0.28 0.10 0.00 0.00 0.00 0.00 44.72 45.14 2x9t s GLY 46 CO 0.00 0.05 -0.22 0.54 0.00 0.00 0.00 173.10 173.47 2x9t s LYS 47 N -1.94 1.38 0.05 2.90 3.01 -1.26 -0.13 119.74 123.75 2x9t s LYS 47 Ca -0.09 -1.42 -0.27 0.00 -1.01 0.00 0.00 55.97 53.18 2x9t s LYS 47 Cb -0.03 -1.64 0.09 0.00 -1.01 0.00 0.00 37.83 35.24 2x9t s LYS 47 CO 0.01 0.36 0.86 0.00 0.51 0.00 0.00 175.35 177.09 2x9t s ALA 48 N -1.63 -1.75 -0.48 5.17 0.00 -0.58 -4.79 121.76 117.69 2x9t s ALA 48 Ca 0.16 0.75 0.19 0.00 0.00 0.00 0.00 51.96 53.06 2x9t s ALA 48 Cb -0.08 0.53 0.89 0.00 0.00 0.00 0.00 23.12 24.46 2x9t s ALA 48 CO 0.08 -0.77 1.57 -2.30 0.00 0.00 0.00 175.76 174.33 2x9t n PRO 49 N -0.31 0.12 -4.22 0.00 -0.02 -1.26 -1.60 135.00 127.71 2x9t n PRO 49 Ca -0.09 0.51 -0.16 0.00 -2.02 0.00 0.00 63.50 61.73 2x9t n PRO 49 Cb 0.62 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 32.14 2x9t n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2x9t s GLU 50 N -3.34 0.58 0.08 -0.52 2.56 -1.26 -4.62 118.70 112.18 2x9t s GLU 50 Ca 0.01 -0.39 -0.23 0.00 0.00 0.00 0.00 54.97 54.36 2x9t s GLU 50 Cb 0.07 -0.52 -0.08 0.00 2.00 0.00 0.00 34.13 35.59 2x9t s GLU 50 CO 0.24 0.13 1.38 0.28 -0.56 0.00 0.00 175.26 176.73 2x9t h VAL 51 N 4.84 0.00 -0.33 3.70 2.07 -1.93 -0.18 116.25 124.41 2x9t h VAL 51 Ca -0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.27 2x9t h VAL 51 Cb 1.19 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2x9t h VAL 51 CO 0.48 0.00 -0.40 -0.65 0.02 0.00 0.00 177.57 177.02 2x9t h PRO 52 N -0.35 -0.34 -0.76 1.57 0.11 -1.98 0.24 132.00 130.49 2x9t h PRO 52 Ca 0.03 0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.34 2x9t h PRO 52 Cb 0.45 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.59 2x9t h PRO 52 CO -0.34 -0.22 0.52 -0.07 -0.21 0.00 0.00 178.00 177.67 2x9t h LEU 53 N -0.35 0.27 -0.05 2.35 3.38 -1.91 0.24 115.31 119.24 2x9t h LEU 53 Ca 0.13 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2x9t h LEU 53 Cb 0.58 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2x9t h LEU 53 CO -0.52 0.13 -0.15 0.00 0.09 0.00 0.00 178.44 177.99 2x9t h ALA 54 N 1.64 0.09 -0.85 1.53 0.00 0.12 -2.74 119.26 119.05 2x9t h ALA 54 Ca 0.38 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2x9t h ALA 54 Cb 1.06 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2x9t h ALA 54 CO -0.10 0.01 0.46 0.28 0.00 0.00 0.00 179.25 179.91 2x9t h VAL 55 N -0.34 1.25 0.14 0.00 2.07 0.30 -1.86 116.25 117.81 2x9t h VAL 55 Ca -0.00 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2x9t h VAL 55 Cb 0.77 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2x9t h VAL 55 CO 0.03 0.28 -0.39 -0.61 0.02 0.00 0.00 177.57 176.91 2x9t h GLN 56 N 1.19 -0.57 -0.97 1.57 -0.00 -0.53 -1.11 115.11 114.69 2x9t h GLN 56 Ca 0.30 0.04 0.16 0.00 -0.00 0.00 0.00 58.65 59.15 2x9t h GLN 56 Cb 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 27.48 27.55 2x9t h GLN 56 CO -0.05 -0.38 0.61 0.87 0.00 0.00 0.00 178.83 179.88 2x9t h LYS 57 N -0.59 0.76 -0.56 1.69 1.57 -1.32 -0.84 116.57 117.28 2x9t h LYS 57 Ca -0.01 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2x9t h LYS 57 Cb 0.57 -0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.61 2x9t h LYS 57 CO -0.18 0.50 -0.43 0.00 -0.57 0.00 0.00 179.45 178.78 2x9t h ALA 58 N 1.60 -0.32 -0.28 3.86 0.00 -0.36 0.71 119.26 124.47 2x9t h ALA 58 Ca 0.52 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.49 2x9t h ALA 58 Cb 0.77 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2x9t h ALA 58 CO -0.29 -0.82 -0.00 0.78 0.00 0.00 0.00 179.25 178.92 2x9t h GLY 59 N -0.23 0.53 -0.10 0.00 0.00 -0.81 0.34 103.07 102.80 2x9t h GLY 59 Ca 0.18 -0.39 0.29 0.00 0.00 0.00 0.00 47.33 47.41 2x9t h GLY 59 CO -0.68 0.36 0.76 -1.82 0.00 0.00 0.00 176.54 175.17 2x9t h TYR 60 N 0.28 0.00 0.05 5.60 3.20 0.37 -0.61 116.97 125.86 2x9t h TYR 60 Ca 0.08 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.59 2x9t h TYR 60 Cb 0.43 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 2x9t h TYR 60 CO 0.04 0.00 -2.05 0.66 -1.64 0.00 0.00 178.16 175.17 2x9t n TYR 61 N -4.12 0.72 -0.07 -3.82 4.01 0.23 -4.11 117.16 110.00 2x9t n TYR 61 Ca 0.21 0.20 -0.14 0.00 -0.16 0.00 0.00 57.90 58.01 2x9t n TYR 61 Cb 1.11 -1.09 -0.10 0.00 -0.31 0.00 0.00 39.34 38.96 2x9t n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2x9t h ALA 62 N -0.21 -0.82 -0.95 -0.72 0.00 0.12 -1.48 119.26 115.19 2x9t h ALA 62 Ca -0.49 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.47 2x9t h ALA 62 Cb 1.79 1.06 -0.06 0.00 0.00 0.00 0.00 17.79 20.57 2x9t h ALA 62 CO -0.09 -1.06 0.62 0.00 0.00 0.00 0.00 179.25 178.71 2x9t h ARG 63 N -0.49 1.04 0.00 0.00 3.08 -1.60 0.15 114.38 116.56 2x9t h ARG 63 Ca 0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2x9t h ARG 63 Cb 0.64 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2x9t h ARG 63 CO -0.52 0.69 0.00 -2.13 -1.07 0.00 0.00 179.97 176.94 2x9t n ARG 64 N -4.51 0.60 -3.32 0.04 0.63 -0.59 -4.26 116.66 105.26 2x9t n ARG 64 Ca 0.15 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.98 2x9t n ARG 64 Cb 0.22 -1.05 -0.06 0.00 0.45 0.00 0.00 32.46 32.02 2x9t n ARG 64 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2x9t s ASN 65 N -1.46 0.58 0.37 6.15 2.47 0.51 -5.07 114.94 118.49 2x9t s ASN 65 Ca 0.03 -0.46 0.06 0.00 0.42 0.00 0.00 52.86 52.90 2x9t s ASN 65 Cb 0.01 1.02 -0.03 0.00 -1.45 0.00 0.00 41.25 40.80 2x9t s ASN 65 CO 0.02 -0.36 0.21 -0.04 -3.72 0.00 0.00 177.10 173.21 2x9t s MET 66 N 2.50 1.85 0.03 0.43 -1.94 -1.26 -2.65 119.30 118.26 2x9t s MET 66 Ca 0.10 -2.10 -0.17 0.00 -1.71 0.00 0.00 55.69 51.81 2x9t s MET 66 Cb -0.13 -0.11 0.03 0.00 2.01 0.00 0.00 34.83 36.63 2x9t s MET 66 CO -0.30 -0.58 0.37 0.54 -0.01 0.00 0.00 175.02 175.04 2x9t s VAL 67 N -3.34 0.06 -0.40 -6.03 0.11 0.14 -4.95 120.40 106.00 2x9t s VAL 67 Ca 0.32 -0.51 -0.23 0.00 -2.93 0.00 0.00 61.98 58.63 2x9t s VAL 67 Cb 0.02 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2x9t s VAL 67 CO 0.21 -0.28 0.77 -1.83 -3.33 0.00 0.00 175.10 170.64 2x9t s GLU 68 N -2.27 3.60 -0.82 1.54 4.04 -1.25 -1.76 118.70 121.77 2x9t s GLU 68 Ca -0.07 0.11 -0.19 0.00 0.04 0.00 0.00 54.97 54.87 2x9t s GLU 68 Cb -0.01 -3.86 0.13 0.00 0.02 0.00 0.00 34.13 30.40 2x9t s GLU 68 CO -0.01 -0.96 1.00 0.08 -1.84 0.00 0.00 175.26 173.53 2x9t s VAL 69 N 3.15 4.76 -0.40 1.83 1.01 0.94 -4.81 120.40 126.88 2x9t s VAL 69 Ca 0.30 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.63 2x9t s VAL 69 Cb -0.13 -4.69 -0.29 0.00 0.00 0.00 0.00 36.38 31.27 2x9t s VAL 69 CO 0.19 -1.39 1.76 -0.81 0.00 0.00 0.00 175.10 174.85 2x9t n PRO 70 N 6.45 0.45 -0.25 2.72 -0.04 -1.26 -4.02 135.00 139.05 2x9t n PRO 70 Ca 0.13 -1.38 -0.30 0.00 -0.04 0.00 0.00 63.50 61.91 2x9t n PRO 70 Cb 0.47 -2.88 0.28 0.00 -0.04 0.00 0.00 33.50 31.34 2x9t n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x9t n LEU 71 N 10.56 -0.40 0.00 1.53 4.77 -1.26 -4.31 117.00 127.89 2x9t n LEU 71 Ca 0.47 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2x9t n LEU 71 Cb 0.43 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2x9t n LEU 71 CO 1.05 -4.51 0.00 0.00 -1.33 0.00 0.00 177.39 172.60 2x9t n GLN 72 N -5.50 0.00 -0.90 3.23 6.02 -0.62 -4.85 117.38 114.75 2x9t n GLN 72 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2x9t n GLN 72 Cb 0.58 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.84 2x9t n GLN 72 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2x9t n ASN 73 N 0.00 -1.68 0.00 1.08 5.03 -1.26 -2.27 115.26 116.16 2x9t n ASN 73 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2x9t n ASN 73 Cb 0.00 -1.10 0.00 0.00 -1.02 0.00 0.00 39.78 37.66 2x9t n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x9t n GLY 74 N -1.87 1.59 3.39 7.41 0.00 -1.26 -4.91 105.19 109.54 2x9t n GLY 74 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2x9t n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x9t s THR 75 N -2.00 0.03 0.47 2.61 -1.32 -0.96 0.02 115.64 114.49 2x9t s THR 75 Ca 0.00 -1.51 -0.21 0.00 -1.21 0.00 0.00 61.69 58.76 2x9t s THR 75 Cb 0.00 -2.08 -0.08 0.00 -1.51 0.00 0.00 72.50 68.83 2x9t s THR 75 CO 0.00 -0.15 1.08 -0.51 -2.21 0.00 0.00 174.62 172.83 2x9t s ILE 76 N -4.02 3.54 0.38 5.08 2.07 -1.26 -1.58 121.20 125.41 2x9t s ILE 76 Ca 0.23 1.04 0.24 0.00 -1.41 0.00 0.00 60.65 60.75 2x9t s ILE 76 Cb 0.03 -3.47 0.25 0.00 0.13 0.00 0.00 42.46 39.40 2x9t s ILE 76 CO 0.05 -0.13 2.00 1.55 -1.91 0.00 0.00 174.94 176.50 2x9t h PRO 77 N 1.78 0.00 0.00 3.50 0.13 -1.90 -3.43 132.00 132.08 2x9t h PRO 77 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2x9t h PRO 77 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2x9t h PRO 77 CO 0.59 0.17 0.02 -2.39 -0.23 0.00 0.00 178.00 176.16 2x9t n HIS 78 N -3.73 -0.80 -4.17 1.56 1.44 -1.26 -5.01 115.22 103.23 2x9t n HIS 78 Ca -0.02 -0.06 -0.35 0.00 -2.01 0.00 0.00 57.72 55.28 2x9t n HIS 78 Cb 0.28 0.03 -0.08 0.00 0.12 0.00 0.00 29.99 30.34 2x9t n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2x9t s GLU 79 N -2.00 3.13 0.01 -1.40 8.01 -1.26 -4.25 118.70 120.94 2x9t s GLU 79 Ca 0.01 -0.34 -0.05 0.00 0.01 0.00 0.00 54.97 54.59 2x9t s GLU 79 Cb -0.00 -2.92 -0.01 0.00 -4.31 0.00 0.00 34.13 26.89 2x9t s GLU 79 CO 0.00 0.71 0.10 0.96 0.01 0.00 0.00 175.26 177.04 2x9t s ILE 80 N -0.99 0.10 -0.12 -1.63 -4.36 -0.89 -4.98 121.20 108.33 2x9t s ILE 80 Ca 0.16 -0.80 0.03 0.00 -0.26 0.00 0.00 60.65 59.78 2x9t s ILE 80 Cb -0.12 -0.47 0.01 0.00 1.25 0.00 0.00 42.46 43.13 2x9t s ILE 80 CO 0.05 -0.44 -0.21 -1.61 0.24 0.00 0.00 174.94 172.97 2x9t s GLU 81 N -1.60 2.84 0.02 0.37 2.02 -1.26 -1.53 118.70 119.56 2x9t s GLU 81 Ca -0.14 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.08 2x9t s GLU 81 Cb -0.07 -2.24 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 2x9t s GLU 81 CO 0.00 0.06 -0.08 0.08 0.02 0.00 0.00 175.26 175.34 2x9t s VAL 82 N 0.65 0.59 -0.25 2.63 1.01 -1.00 -5.00 120.40 119.02 2x9t s VAL 82 Ca -0.12 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2x9t s VAL 82 Cb -0.16 -0.56 0.06 0.00 0.00 0.00 0.00 36.38 35.71 2x9t s VAL 82 CO 0.03 -0.07 -0.07 -1.61 0.00 0.00 0.00 175.10 173.37 2x9t s GLU 83 N -0.80 1.88 -0.85 2.72 2.02 -1.26 -1.79 118.70 120.61 2x9t s GLU 83 Ca -0.02 -1.17 -0.09 0.00 0.02 0.00 0.00 54.97 53.71 2x9t s GLU 83 Cb -0.06 -2.73 0.22 0.00 0.10 0.00 0.00 34.13 31.66 2x9t s GLU 83 CO 0.00 -0.60 0.77 0.12 0.02 0.00 0.00 175.26 175.57 2x9t s PHE 84 N 1.26 3.81 0.00 1.61 5.36 -0.90 -4.96 117.98 124.16 2x9t s PHE 84 Ca -0.07 -2.44 0.00 0.00 -0.96 0.00 0.00 56.93 53.46 2x9t s PHE 84 Cb -0.19 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 2x9t s PHE 84 CO -0.06 -0.91 0.00 0.41 -1.46 0.00 0.00 175.22 173.20 2x9t n GLY 85 N 3.37 1.18 0.30 13.12 0.00 -1.26 -3.57 105.19 118.33 2x9t n GLY 85 Ca 0.16 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.43 2x9t n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9t n ALA 86 N 6.09 2.89 -2.89 4.61 0.00 -1.26 -4.90 120.51 125.05 2x9t n ALA 86 Ca 0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 53.44 52.77 2x9t n ALA 86 Cb 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 2x9t n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2x9t s SER 87 N -2.34 6.09 -0.07 0.00 0.01 -1.23 0.74 113.70 116.90 2x9t s SER 87 Ca 0.29 0.11 -0.06 0.00 1.31 0.00 0.00 55.95 57.59 2x9t s SER 87 Cb 0.20 -1.78 0.02 0.00 0.21 0.00 0.00 66.02 64.67 2x9t s SER 87 CO 0.46 0.09 0.19 -0.75 0.41 0.00 0.00 173.24 173.63 2x9t s LYS 88 N -3.01 0.22 0.03 12.44 2.20 -1.11 -2.11 119.74 128.39 2x9t s LYS 88 Ca 0.33 0.26 0.02 0.00 -0.36 0.00 0.00 55.97 56.23 2x9t s LYS 88 Cb -0.11 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2x9t s LYS 88 CO 0.27 -0.03 -0.08 -1.50 -0.36 0.00 0.00 175.35 173.65 2x9t s ILE 89 N 0.11 0.55 -0.03 5.43 2.07 -0.74 0.23 121.20 128.82 2x9t s ILE 89 Ca -0.00 -0.93 0.07 0.00 -1.41 0.00 0.00 60.65 58.38 2x9t s ILE 89 Cb -0.01 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 41.98 2x9t s ILE 89 CO 0.00 -0.28 -0.24 -0.69 -1.91 0.00 0.00 174.94 171.82 2x9t s VAL 90 N -1.13 1.93 -0.10 4.00 1.01 -0.52 -2.38 120.40 123.21 2x9t s VAL 90 Ca -0.07 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.91 2x9t s VAL 90 Cb -0.08 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2x9t s VAL 90 CO 0.00 0.54 -0.22 -0.76 0.00 0.00 0.00 175.10 174.67 2x9t s LEU 91 N -0.49 2.02 -0.07 3.92 2.01 -0.59 -2.49 118.68 123.00 2x9t s LEU 91 Ca 0.07 -0.53 0.01 0.00 0.01 0.00 0.00 54.13 53.69 2x9t s LEU 91 Cb -0.10 -1.33 0.02 0.00 0.01 0.00 0.00 46.19 44.78 2x9t s LEU 91 CO -0.00 0.13 -0.09 -0.75 1.01 0.00 0.00 176.35 176.65 2x9t s LYS 92 N 0.47 1.42 0.35 1.70 2.20 0.15 -2.10 119.74 123.94 2x9t s LYS 92 Ca -0.16 -0.28 -0.28 0.00 -0.36 0.00 0.00 55.97 54.88 2x9t s LYS 92 Cb -0.17 -1.31 -0.11 0.00 -1.51 0.00 0.00 37.83 34.74 2x9t s LYS 92 CO 0.06 -0.08 1.38 -1.25 -0.36 0.00 0.00 175.35 175.11 2x9t s PRO 93 N 1.02 4.24 0.01 4.03 0.04 -1.26 -0.40 135.00 142.68 2x9t s PRO 93 Ca -0.08 2.37 0.03 0.00 0.04 0.00 0.00 61.00 63.36 2x9t s PRO 93 Cb -0.15 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 2x9t s PRO 93 CO -0.00 -0.34 -0.10 0.00 0.04 0.00 0.00 177.00 176.59 2x9t s ALA 94 N -1.13 0.84 0.64 8.56 0.00 -1.01 -4.74 121.76 124.93 2x9t s ALA 94 Ca 0.51 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 2x9t s ALA 94 Cb -0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2x9t s ALA 94 CO 0.57 0.18 1.11 0.00 0.00 0.00 0.00 175.76 177.62 2x9t s ALA 95 N -0.46 2.50 0.48 0.00 0.00 -1.26 -4.59 121.76 118.43 2x9t s ALA 95 Ca 0.02 0.58 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 2x9t s ALA 95 Cb -0.05 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2x9t s ALA 95 CO 0.00 -1.21 1.11 -2.30 0.00 0.00 0.00 175.76 173.36 2x9t n PRO 96 N -2.28 1.44 0.00 0.00 -0.02 -1.26 -3.31 135.00 129.56 2x9t n PRO 96 Ca 0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2x9t n PRO 96 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2x9t n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9t n GLY 97 N 1.06 1.36 0.09 -1.23 0.00 -1.26 -4.97 105.19 100.25 2x9t n GLY 97 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 2x9t n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x9t h THR 98 N 0.00 0.00 0.00 2.61 2.02 -1.83 -3.51 112.91 112.20 2x9t h THR 98 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2x9t h THR 98 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2x9t h THR 98 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2x9t n GLY 99 N 1.37 -0.98 2.98 2.16 0.00 -1.11 -4.94 105.19 104.67 2x9t n GLY 99 Ca -0.02 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 2x9t n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x9t s VAL 100 N 0.00 1.29 -0.50 1.61 -7.23 -1.26 -1.54 120.40 112.76 2x9t s VAL 100 Ca 0.00 -0.48 -0.13 0.00 -1.81 0.00 0.00 61.98 59.56 2x9t s VAL 100 Cb 0.00 -1.23 0.12 0.00 0.56 0.00 0.00 36.38 35.83 2x9t s VAL 100 CO 0.00 0.41 0.43 0.27 -0.31 0.00 0.00 175.10 175.89 2x9t s ILE 101 N 1.36 4.86 0.26 -0.62 -0.00 -1.10 -5.01 121.20 120.96 2x9t s ILE 101 Ca 0.00 -1.53 -0.15 0.00 -0.00 0.00 0.00 60.65 58.98 2x9t s ILE 101 Cb -0.14 -4.10 0.00 0.00 -0.00 0.00 0.00 42.46 38.23 2x9t s ILE 101 CO -0.06 -0.78 0.55 0.00 -0.00 0.00 0.00 174.94 174.65 2x9t s ALA 102 N 1.52 -0.48 0.97 2.27 0.00 -1.26 -2.54 121.76 122.25 2x9t s ALA 102 Ca 0.04 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 2x9t s ALA 102 Cb -0.28 1.00 0.21 0.00 0.00 0.00 0.00 23.12 24.06 2x9t s ALA 102 CO 0.02 -0.91 1.33 0.20 0.00 0.00 0.00 175.76 176.41 2x9t s GLY 103 N -3.00 1.80 0.00 0.00 0.00 -1.26 -4.70 107.32 100.16 2x9t s GLY 103 Ca 0.20 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2x9t s GLY 103 CO 0.09 -0.47 0.20 0.00 0.00 0.00 0.00 173.10 172.92 2x9t n ALA 104 N -3.80 1.64 0.03 3.20 0.00 -1.26 -1.74 120.51 118.58 2x9t n ALA 104 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 2x9t n ALA 104 Cb 0.59 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.03 2x9t n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2x9t n VAL 105 N -0.55 0.95 0.23 0.00 0.31 -1.26 -4.41 118.33 113.59 2x9t n VAL 105 Ca 0.00 0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.67 2x9t n VAL 105 Cb 0.00 -1.51 0.14 0.00 -0.91 0.00 0.00 33.84 31.57 2x9t n VAL 105 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2x9t n PRO 106 N -3.32 0.00 0.00 5.55 -0.04 -1.20 -2.85 135.00 133.14 2x9t n PRO 106 Ca -0.01 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2x9t n PRO 106 Cb 0.04 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2x9t n PRO 106 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2x9t n ARG 107 N -1.50 0.00 -0.29 0.54 0.63 -0.71 -2.70 116.66 112.62 2x9t n ARG 107 Ca 0.02 0.37 0.07 0.00 -0.92 0.00 0.00 57.85 57.39 2x9t n ARG 107 Cb 0.08 -0.86 0.16 0.00 0.45 0.00 0.00 32.46 32.28 2x9t n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9t n ALA 108 N -1.75 0.27 -0.09 5.13 0.00 -1.19 0.01 120.51 122.89 2x9t n ALA 108 Ca 0.00 0.90 -0.10 0.00 0.00 0.00 0.00 53.44 54.25 2x9t n ALA 108 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2x9t n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2x9t h ILE 109 N 0.00 1.16 0.00 0.00 2.04 -1.69 -2.33 117.51 116.68 2x9t h ILE 109 Ca 0.43 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2x9t h ILE 109 Cb 0.74 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2x9t h ILE 109 CO -0.83 0.16 0.00 0.18 0.00 0.00 0.00 178.15 177.66 2x9t n LEU 110 N -4.78 0.48 -0.08 1.44 4.77 0.10 -1.82 117.00 117.11 2x9t n LEU 110 Ca -0.02 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.38 2x9t n LEU 110 Cb 0.11 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 2x9t n LEU 110 CO 0.35 -0.20 0.12 -0.33 -1.33 0.00 0.00 177.39 176.00 2x9t h GLU 111 N 0.00 0.00 0.00 3.23 5.08 -0.87 -0.94 114.58 121.08 2x9t h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2x9t h GLU 111 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2x9t h GLU 111 CO 0.00 0.89 0.00 1.28 -1.00 0.00 0.00 179.01 180.18 2x9t n LEU 112 N -4.58 0.00 0.05 1.33 4.77 -0.89 -0.05 117.00 117.63 2x9t n LEU 112 Ca -0.14 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.35 2x9t n LEU 112 Cb 0.48 -0.38 0.35 0.00 -2.33 0.00 0.00 43.42 41.54 2x9t n LEU 112 CO 0.27 -0.17 0.66 0.00 -1.33 0.00 0.00 177.39 176.82 2x9t n ALA 113 N -1.38 2.69 -1.71 -1.18 0.00 -0.76 -2.36 120.51 115.81 2x9t n ALA 113 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2x9t n ALA 113 Cb 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2x9t n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9t n GLY 114 N 1.38 0.95 3.81 0.00 0.00 0.93 -3.06 105.19 109.21 2x9t n GLY 114 Ca 0.05 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 2x9t n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9t s VAL 115 N -2.60 4.52 0.00 1.61 1.01 -0.36 -4.72 120.40 119.87 2x9t s VAL 115 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.84 2x9t s VAL 115 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2x9t s VAL 115 CO 0.00 -0.17 0.00 0.41 0.00 0.00 0.00 175.10 175.34 2x9t n THR 116 N -0.56 0.00 -3.36 3.92 -1.04 0.10 -4.57 114.28 108.77 2x9t n THR 116 Ca -0.08 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.76 2x9t n THR 116 Cb 0.55 0.94 -0.08 0.00 -1.82 0.00 0.00 70.33 69.93 2x9t n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2x9t s ASP 117 N 0.00 1.12 -0.10 8.00 1.01 -1.05 -2.74 116.67 122.92 2x9t s ASP 117 Ca 0.00 -1.58 -0.18 0.00 0.71 0.00 0.00 52.55 51.51 2x9t s ASP 117 Cb 0.00 0.58 0.04 0.00 1.01 0.00 0.00 42.92 44.55 2x9t s ASP 117 CO 0.00 -0.26 0.44 -0.51 0.21 0.00 0.00 175.17 175.05 2x9t s ILE 118 N 1.43 0.02 -0.18 0.77 1.10 -0.59 -2.40 121.20 121.35 2x9t s ILE 118 Ca 0.17 -0.17 -0.05 0.00 -0.51 0.00 0.00 60.65 60.09 2x9t s ILE 118 Cb -0.15 -0.68 -0.03 0.00 0.15 0.00 0.00 42.46 41.75 2x9t s ILE 118 CO -0.03 -0.09 -0.00 -0.76 -2.11 0.00 0.00 174.94 171.94 2x9t s LEU 119 N -0.53 3.34 0.06 8.50 1.43 0.46 -2.69 118.68 129.26 2x9t s LEU 119 Ca -0.06 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2x9t s LEU 119 Cb -0.03 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2x9t s LEU 119 CO 0.03 0.12 -0.09 0.42 0.23 0.00 0.00 176.35 177.07 2x9t s THR 120 N 0.65 0.69 -0.10 5.49 -4.23 -1.05 0.32 115.64 117.40 2x9t s THR 120 Ca -0.01 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.10 2x9t s THR 120 Cb -0.14 -0.98 0.05 0.00 1.34 0.00 0.00 72.50 72.77 2x9t s THR 120 CO 0.02 -0.49 0.22 -0.75 -0.54 0.00 0.00 174.62 173.08 2x9t s LYS 121 N -2.22 0.14 -0.09 3.99 2.47 -1.04 -4.68 119.74 118.31 2x9t s LYS 121 Ca -0.03 0.56 -0.23 0.00 -1.56 0.00 0.00 55.97 54.71 2x9t s LYS 121 Cb -0.06 -0.14 -0.03 0.00 -1.46 0.00 0.00 37.83 36.14 2x9t s LYS 121 CO -0.00 -0.22 0.69 -1.21 0.16 0.00 0.00 175.35 174.77 2x9t s GLU 122 N 1.68 4.40 0.06 4.03 2.02 -1.26 -1.44 118.70 128.19 2x9t s GLU 122 Ca -0.05 0.84 0.00 0.00 0.02 0.00 0.00 54.97 55.79 2x9t s GLU 122 Cb -0.11 -3.47 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 2x9t s GLU 122 CO -0.08 0.01 0.01 1.28 0.02 0.00 0.00 175.26 176.51 2x9t n LEU 123 N 4.00 0.00 0.00 1.80 4.77 0.14 -5.00 117.00 122.70 2x9t n LEU 123 Ca -0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2x9t n LEU 123 Cb 0.51 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2x9t n LEU 123 CO 0.47 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2x9t n GLY 124 N 2.74 0.84 3.57 -0.72 0.00 -1.26 -2.76 105.19 107.60 2x9t n GLY 124 Ca -0.02 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2x9t n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2x9t n SER 125 N -3.51 -0.61 -0.40 1.61 2.88 0.23 -4.80 113.62 109.02 2x9t n SER 125 Ca 0.00 0.23 0.07 0.00 -1.33 0.00 0.00 58.87 57.84 2x9t n SER 125 Cb 0.00 -1.37 0.14 0.00 -0.75 0.00 0.00 64.21 62.23 2x9t n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2x9t n ARG 126 N -4.05 1.14 -1.77 -1.46 5.12 -1.26 -4.43 116.66 109.95 2x9t n ARG 126 Ca 0.09 -2.60 -0.43 0.00 -1.93 0.00 0.00 57.85 52.98 2x9t n ARG 126 Cb 0.53 -1.32 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 2x9t n ARG 126 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2x9t s ASN 127 N -2.72 6.00 0.05 0.55 3.84 -1.26 -4.86 114.94 116.53 2x9t s ASN 127 Ca 0.31 2.03 -0.10 0.00 0.21 0.00 0.00 52.86 55.31 2x9t s ASN 127 Cb 0.29 -2.52 -0.02 0.00 -0.55 0.00 0.00 41.25 38.44 2x9t s ASN 127 CO -0.02 -1.51 1.00 -2.65 -2.79 0.00 0.00 177.10 171.13 2x9t n PRO 128 N 8.11 -0.14 -0.32 0.43 -0.02 -1.26 -1.15 135.00 140.65 2x9t n PRO 128 Ca 0.24 0.99 0.01 0.00 -2.02 0.00 0.00 63.50 62.72 2x9t n PRO 128 Cb 0.44 -1.47 0.07 0.00 -0.02 0.00 0.00 33.50 32.52 2x9t n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2x9t n ILE 129 N -3.69 -0.42 0.09 4.25 5.41 -1.26 -0.34 119.36 123.40 2x9t n ILE 129 Ca 0.01 2.00 -0.05 0.00 1.00 0.00 0.00 62.75 65.70 2x9t n ILE 129 Cb 0.08 -2.69 -0.02 0.00 -0.71 0.00 0.00 39.64 36.31 2x9t n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2x9t h ASN 130 N 0.00 0.00 -0.55 4.38 2.35 -1.60 -2.87 115.58 117.29 2x9t h ASN 130 Ca 0.34 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 2x9t h ASN 130 Cb 0.56 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 2x9t h ASN 130 CO -0.87 0.87 0.26 0.40 -1.65 0.00 0.00 177.43 176.45 2x9t h ILE 131 N 0.00 1.20 0.45 2.81 1.08 0.87 -0.66 117.51 123.26 2x9t h ILE 131 Ca -0.01 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 2x9t h ILE 131 Cb 1.54 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 2x9t h ILE 131 CO 0.11 0.24 -0.21 0.00 -0.69 0.00 0.00 178.15 177.60 2x9t h ALA 132 N 1.46 -1.03 -0.98 1.87 0.00 -0.95 -2.59 119.26 117.04 2x9t h ALA 132 Ca 0.20 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 55.26 2x9t h ALA 132 Cb 0.12 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2x9t h ALA 132 CO -0.02 -0.99 0.70 1.88 0.00 0.00 0.00 179.25 180.82 2x9t h TYR 133 N -0.67 0.09 -0.13 0.00 0.99 -1.41 0.58 116.97 116.42 2x9t h TYR 133 Ca -0.06 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.57 2x9t h TYR 133 Cb 0.46 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.15 2x9t h TYR 133 CO 0.10 0.01 -0.36 0.00 -0.00 0.00 0.00 178.16 177.92 2x9t h ALA 134 N 1.52 1.15 0.12 3.88 0.00 -0.95 -2.81 119.26 122.17 2x9t h ALA 134 Ca 0.48 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2x9t h ALA 134 Cb 1.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2x9t h ALA 134 CO -0.04 0.56 -0.06 1.15 0.00 0.00 0.00 179.25 180.86 2x9t h THR 135 N 0.24 0.69 -0.71 0.00 2.02 0.55 -2.16 112.91 113.53 2x9t h THR 135 Ca 0.03 -1.24 0.13 0.00 0.77 0.00 0.00 66.41 66.10 2x9t h THR 135 Cb 0.74 1.22 -0.13 0.00 -1.74 0.00 0.00 68.15 68.24 2x9t h THR 135 CO 0.06 0.20 -0.28 0.24 0.37 0.00 0.00 175.52 176.12 2x9t h MET 136 N -0.96 -0.07 -0.03 6.66 2.07 -1.51 2.21 114.93 123.31 2x9t h MET 136 Ca -0.02 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.63 2x9t h MET 136 Cb 0.46 0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.20 2x9t h MET 136 CO 0.03 -0.05 0.03 1.49 1.07 0.00 0.00 176.91 179.48 2x9t h GLU 137 N -0.07 0.00 0.57 1.72 4.57 -1.57 0.58 114.58 120.37 2x9t h GLU 137 Ca 0.31 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 2x9t h GLU 137 Cb 0.56 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 2x9t h GLU 137 CO -0.76 0.00 -0.27 0.00 -1.18 0.00 0.00 179.01 176.80 2x9t h ALA 138 N 1.97 -0.81 -0.40 2.92 0.00 0.42 -2.99 119.26 120.37 2x9t h ALA 138 Ca 0.01 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.83 2x9t h ALA 138 Cb 0.07 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2x9t h ALA 138 CO -0.00 -0.76 -0.03 -0.07 0.00 0.00 0.00 179.25 178.39 2x9t h LEU 139 N -1.12 -0.23 0.00 0.00 3.38 -0.18 0.34 115.31 117.50 2x9t h LEU 139 Ca -0.08 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2x9t h LEU 139 Cb 0.59 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2x9t h LEU 139 CO 0.13 -0.08 0.03 -1.14 0.09 0.00 0.00 178.44 177.48 2x9t n ARG 140 N -5.23 0.00 -0.08 1.13 0.63 0.20 -0.21 116.66 113.10 2x9t n ARG 140 Ca 0.03 0.11 0.07 0.00 -0.92 0.00 0.00 57.85 57.14 2x9t n ARG 140 Cb 0.21 -1.53 0.11 0.00 0.45 0.00 0.00 32.46 31.70 2x9t n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2x9t n GLN 141 N -1.04 1.93 -3.03 -0.14 6.02 0.12 -5.00 117.38 116.24 2x9t n GLN 141 Ca 0.00 -2.27 -0.41 0.00 -0.01 0.00 0.00 57.00 54.31 2x9t n GLN 141 Cb 0.03 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 2x9t n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2x9t s LEU 142 N -2.27 4.07 -0.08 1.08 1.43 0.70 -5.05 118.68 118.56 2x9t s LEU 142 Ca 0.23 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2x9t s LEU 142 Cb 0.20 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2x9t s LEU 142 CO 0.03 -0.42 -0.07 -0.13 0.23 0.00 0.00 176.35 175.98 2x9t s ARG 143 N 2.63 2.84 0.33 1.70 1.81 -1.26 -4.87 118.95 122.14 2x9t s ARG 143 Ca 0.29 -0.56 -0.01 0.00 -1.72 0.00 0.00 55.73 53.73 2x9t s ARG 143 Cb -0.15 -2.61 -0.04 0.00 -0.45 0.00 0.00 34.95 31.70 2x9t s ARG 143 CO 0.08 0.60 0.56 0.95 -0.68 0.00 0.00 175.30 176.81 2x9t s THR 144 N -0.64 5.08 0.63 0.02 -4.23 -1.26 -4.84 115.64 110.41 2x9t s THR 144 Ca 0.10 -0.29 0.26 0.00 -1.18 0.00 0.00 61.69 60.58 2x9t s THR 144 Cb -0.11 -3.83 0.31 0.00 1.34 0.00 0.00 72.50 70.21 2x9t s THR 144 CO 0.02 -0.50 1.78 0.50 -0.54 0.00 0.00 174.62 175.88 2x9t h LYS 145 N 1.00 0.00 0.00 3.99 3.64 -1.99 -1.53 116.57 121.68 2x9t h LYS 145 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2x9t h LYS 145 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2x9t h LYS 145 CO 0.63 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 2x9t n ALA 146 N -2.04 -0.16 -0.28 5.00 0.00 -1.26 -1.72 120.51 120.05 2x9t n ALA 146 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.67 2x9t n ALA 146 Cb 0.62 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.44 2x9t n ALA 146 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2x9t n ASP 147 N -1.15 0.10 0.00 0.00 8.00 -0.66 -1.22 116.55 121.61 2x9t n ASP 147 Ca 0.00 1.41 0.00 0.00 0.71 0.00 0.00 54.79 56.91 2x9t n ASP 147 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 2x9t n ASP 147 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2x9t n VAL 148 N -5.05 0.00 0.25 2.53 0.31 -0.69 -2.29 118.33 113.40 2x9t n VAL 148 Ca 0.26 1.40 0.17 0.00 -0.01 0.00 0.00 64.34 66.16 2x9t n VAL 148 Cb 0.87 -2.25 0.82 0.00 -0.91 0.00 0.00 33.84 32.36 2x9t n VAL 148 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2x9t h GLU 149 N 0.00 0.00 0.00 5.55 4.11 -0.29 0.35 114.58 124.31 2x9t h GLU 149 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2x9t h GLU 149 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2x9t h GLU 149 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 179.01 178.99 2x9t h ARG 150 N 0.00 0.00 -0.62 1.06 2.43 -0.86 -3.10 114.38 113.29 2x9t h ARG 150 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2x9t h ARG 150 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2x9t h ARG 150 CO -0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 2x9t n LEU 151 N -2.48 3.70 -0.42 3.80 4.77 0.12 -3.85 117.00 122.64 2x9t n LEU 151 Ca 0.04 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 2x9t n LEU 151 Cb 0.42 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2x9t n LEU 151 CO 0.29 0.73 0.25 0.54 -1.33 0.00 0.00 177.39 177.86 2x9t n ARG 152 N 1.02 0.00 0.00 3.23 1.74 -1.18 -5.03 116.66 116.45 2x9t n ARG 152 Ca 0.21 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 2x9t n ARG 152 Cb 0.66 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 2x9t n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x9t n LYS 153 N 0.00 0.00 -3.27 5.56 4.76 -1.19 -4.87 118.16 119.15 2x9t n LYS 153 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 2x9t n LYS 153 Cb 0.65 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.77 2x9t n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x9t n GLY 154 N 0.50 4.07 0.00 0.72 0.00 -1.26 -5.13 105.19 104.09 2x9t n GLY 154 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2x9t n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11