#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 0.56 -1.74 2.12 5.02 -1.26 -5.02 118.16 117.85 2x9s n LYS 2 Ca 0.00 -2.20 -0.41 0.00 -2.02 0.00 0.00 58.31 53.68 2x9s n LYS 2 Cb 0.00 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 2x9s n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2x9s n THR 3 N 2.48 4.22 -0.62 -0.18 -1.04 -1.26 -4.83 114.28 113.05 2x9s n THR 3 Ca 0.18 -3.34 -0.18 0.00 -2.04 0.00 0.00 64.05 58.66 2x9s n THR 3 Cb 0.56 -2.47 -0.05 0.00 -1.82 0.00 0.00 70.33 66.55 2x9s n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x9s n TYR 4 N 4.07 0.00 -3.09 -1.42 0.18 -1.26 -4.79 117.16 110.86 2x9s n TYR 4 Ca 0.61 -0.26 -0.42 0.00 1.88 0.00 0.00 57.90 59.71 2x9s n TYR 4 Cb 0.31 -0.55 -0.06 0.00 -0.38 0.00 0.00 39.34 38.65 2x9s n TYR 4 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2x9s s VAL 5 N 4.66 4.87 0.17 -3.48 0.11 -1.26 -5.05 120.40 120.42 2x9s s VAL 5 Ca 0.28 0.65 -0.30 0.00 -2.93 0.00 0.00 61.98 59.68 2x9s s VAL 5 Cb 0.06 -4.09 -0.08 0.00 -1.53 0.00 0.00 36.38 30.74 2x9s s VAL 5 CO 0.14 -0.32 1.25 -2.16 -3.33 0.00 0.00 175.10 170.69 2x9s s PRO 6 N 2.77 4.43 1.16 1.54 0.04 -1.26 -5.03 135.00 138.64 2x9s s PRO 6 Ca 0.26 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 2x9s s PRO 6 Cb -0.14 -3.24 0.28 0.00 0.04 0.00 0.00 34.50 31.44 2x9s s PRO 6 CO 0.15 -0.20 1.20 0.15 0.04 0.00 0.00 177.00 178.35 2x9s s LYS 7 N 0.07 -0.89 -0.30 4.56 1.02 -1.26 -4.86 119.74 118.08 2x9s s LYS 7 Ca 0.56 -0.32 -0.35 0.00 0.02 0.00 0.00 55.97 55.87 2x9s s LYS 7 Cb -0.34 -1.66 -0.12 0.00 -0.52 0.00 0.00 37.83 35.20 2x9s s LYS 7 CO 0.36 -3.44 2.10 1.04 -0.92 0.00 0.00 175.35 174.48 2x9s n GLN 8 N -4.52 1.28 -0.60 1.68 6.02 -1.26 -4.95 117.38 115.03 2x9s n GLN 8 Ca 0.16 0.39 -0.30 0.00 -0.01 0.00 0.00 57.00 57.23 2x9s n GLN 8 Cb 0.60 -2.48 0.27 0.00 1.02 0.00 0.00 30.24 29.64 2x9s n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2x9s s VAL 9 N 6.49 1.40 -0.31 5.09 1.01 -1.26 -5.03 120.40 127.78 2x9s s VAL 9 Ca 1.06 0.00 0.02 0.00 0.00 0.00 0.00 61.98 63.05 2x9s s VAL 9 Cb -0.83 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 33.44 2x9s s VAL 9 CO 0.51 0.00 0.06 -0.70 0.00 0.00 0.00 175.10 174.96 2x9s s GLU 10 N -5.11 1.16 -0.35 2.72 2.56 -1.26 -5.08 118.70 113.34 2x9s s GLU 10 Ca 0.69 -1.42 -0.32 0.00 0.00 0.00 0.00 54.97 53.92 2x9s s GLU 10 Cb -0.13 -2.60 -0.14 0.00 2.00 0.00 0.00 34.13 33.26 2x9s s GLU 10 CO 0.58 -0.92 1.23 -0.35 -0.56 0.00 0.00 175.26 175.24 2x9s n PRO 11 N 4.56 0.00 -3.40 4.30 -0.04 -1.26 -4.92 135.00 134.24 2x9s n PRO 11 Ca -0.01 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.08 2x9s n PRO 11 Cb 0.42 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 2x9s n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2x9s s ARG 12 N 2.71 4.28 -0.22 0.54 3.52 -1.26 -4.97 118.95 123.56 2x9s s ARG 12 Ca 0.77 0.32 -0.07 0.00 -0.13 0.00 0.00 55.73 56.62 2x9s s ARG 12 Cb -1.05 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 28.89 2x9s s ARG 12 CO 0.54 0.22 0.05 -1.58 -0.81 0.00 0.00 175.30 173.73 2x9s s TRP 13 N 0.45 3.13 -0.04 5.12 0.52 -1.26 -0.77 118.94 126.09 2x9s s TRP 13 Ca 0.22 -0.24 0.03 0.00 0.02 0.00 0.00 56.10 56.13 2x9s s TRP 13 Cb -0.14 -2.15 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 2x9s s TRP 13 CO 0.08 -0.15 -0.13 0.08 0.02 0.00 0.00 176.95 176.85 2x9s s VAL 14 N 1.06 3.18 -0.07 4.03 1.01 -0.19 -2.36 120.40 127.05 2x9s s VAL 14 Ca 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2x9s s VAL 14 Cb -0.14 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2x9s s VAL 14 CO 0.03 0.57 -0.13 -0.22 0.00 0.00 0.00 175.10 175.35 2x9s s LEU 15 N -0.82 2.80 -0.23 3.92 1.98 -1.20 0.20 118.68 125.34 2x9s s LEU 15 Ca 0.12 -0.20 -0.13 0.00 -2.89 0.00 0.00 54.13 51.03 2x9s s LEU 15 Cb -0.11 -1.59 0.07 0.00 0.66 0.00 0.00 46.19 45.22 2x9s s LEU 15 CO 0.01 0.31 0.56 -0.51 -1.89 0.00 0.00 176.35 174.83 2x9s s ILE 16 N -0.50 -0.01 -0.41 6.68 2.07 -0.55 -1.90 121.20 126.57 2x9s s ILE 16 Ca 0.07 0.04 0.10 0.00 -1.41 0.00 0.00 60.65 59.44 2x9s s ILE 16 Cb -0.12 -0.82 0.31 0.00 0.13 0.00 0.00 42.46 41.96 2x9s s ILE 16 CO 0.02 0.02 0.67 -0.67 -1.91 0.00 0.00 174.94 173.06 2x9s n ASP 17 N 4.16 1.04 -2.42 4.50 4.64 -1.26 -2.06 116.55 125.15 2x9s n ASP 17 Ca -0.21 -2.97 -0.21 0.00 -1.38 0.00 0.00 54.79 50.03 2x9s n ASP 17 Cb 0.57 -0.63 -0.12 0.00 -1.04 0.00 0.00 41.12 39.90 2x9s n ASP 17 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2x9s n ALA 18 N 0.70 6.77 -0.32 -1.67 0.00 -1.26 -4.63 120.51 120.09 2x9s n ALA 18 Ca 0.24 -2.39 -0.08 0.00 0.00 0.00 0.00 53.44 51.21 2x9s n ALA 18 Cb 0.58 -2.66 -0.08 0.00 0.00 0.00 0.00 19.45 17.29 2x9s n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2x9s n GLU 19 N 2.83 -0.34 0.00 0.00 0.28 -1.26 0.11 120.64 122.26 2x9s n GLU 19 Ca 0.55 1.38 0.00 0.00 -0.16 0.00 0.00 57.16 58.93 2x9s n GLU 19 Cb 0.70 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.53 2x9s n GLU 19 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2x9s n GLY 20 N -1.19 0.41 3.90 -1.84 0.00 -1.25 -2.24 105.19 102.98 2x9s n GLY 20 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2x9s n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x9s s LYS 21 N -1.36 3.64 -0.27 1.61 2.20 0.29 -4.47 119.74 121.37 2x9s s LYS 21 Ca 0.00 0.03 -0.28 0.00 -0.36 0.00 0.00 55.97 55.36 2x9s s LYS 21 Cb 0.00 -2.62 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 2x9s s LYS 21 CO 0.00 0.18 1.93 0.99 -0.36 0.00 0.00 175.35 178.10 2x9s s THR 22 N -2.13 3.32 0.49 3.43 2.01 -1.26 -0.17 115.64 121.33 2x9s s THR 22 Ca 0.44 0.33 -0.21 0.00 0.31 0.00 0.00 61.69 62.57 2x9s s THR 22 Cb -0.11 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.89 2x9s s THR 22 CO 0.31 -0.25 0.64 -0.11 -0.69 0.00 0.00 174.62 174.51 2x9s n LEU 23 N 10.53 0.92 0.00 4.42 7.94 -0.60 -2.24 117.00 137.97 2x9s n LEU 23 Ca 0.25 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2x9s n LEU 23 Cb 0.46 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2x9s n LEU 23 CO 0.67 -2.67 0.00 0.61 -1.11 0.00 0.00 177.39 174.90 2x9s n GLY 24 N 1.66 2.14 0.29 -3.96 0.00 -1.26 -4.49 105.19 99.56 2x9s n GLY 24 Ca 0.11 -0.34 0.17 0.00 0.00 0.00 0.00 46.02 45.96 2x9s n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2x9s h ARG 25 N 0.00 0.00 0.05 1.61 3.08 -1.86 0.46 114.38 117.72 2x9s h ARG 25 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 2x9s h ARG 25 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2x9s h ARG 25 CO 0.00 0.05 -1.41 1.25 -1.07 0.00 0.00 179.97 178.79 2x9s h LEU 26 N 0.00 0.17 -0.90 3.04 5.85 -1.72 -3.36 115.31 118.40 2x9s h LEU 26 Ca -0.00 -0.70 0.21 0.00 0.84 0.00 0.00 57.88 58.23 2x9s h LEU 26 Cb 0.29 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 2x9s h LEU 26 CO 0.01 1.58 0.42 0.00 -0.34 0.00 0.00 178.44 180.11 2x9s h ALA 27 N -0.25 1.44 -0.32 1.25 0.00 -1.57 0.86 119.26 120.66 2x9s h ALA 27 Ca -0.34 0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2x9s h ALA 27 Cb 1.55 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 2x9s h ALA 27 CO -0.08 -0.30 -0.24 1.15 0.00 0.00 0.00 179.25 179.79 2x9s h THR 28 N 0.45 0.38 -0.79 0.00 2.02 -0.26 -1.76 112.91 112.95 2x9s h THR 28 Ca 0.55 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.71 2x9s h THR 28 Cb 1.01 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2x9s h THR 28 CO -0.50 0.00 0.39 0.11 0.37 0.00 0.00 175.52 175.90 2x9s h LYS 29 N -0.20 1.13 0.00 6.66 1.57 -1.00 -2.24 116.57 122.49 2x9s h LYS 29 Ca 0.16 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2x9s h LYS 29 Cb 0.46 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2x9s h LYS 29 CO -0.44 0.86 -0.09 0.82 -0.57 0.00 0.00 179.45 180.03 2x9s h ILE 30 N 1.11 0.66 0.03 1.86 2.04 -0.63 -0.75 117.51 121.84 2x9s h ILE 30 Ca 0.27 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2x9s h ILE 30 Cb 0.09 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2x9s h ILE 30 CO -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 178.15 178.18 2x9s h ALA 31 N 1.91 -0.04 -0.03 1.87 0.00 -0.77 -1.75 119.26 120.46 2x9s h ALA 31 Ca -0.00 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2x9s h ALA 31 Cb 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2x9s h ALA 31 CO 0.01 -0.11 0.03 1.15 0.00 0.00 0.00 179.25 180.33 2x9s h THR 32 N -0.87 0.65 0.11 0.00 2.02 -1.18 0.18 112.91 113.81 2x9s h THR 32 Ca -0.00 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.91 2x9s h THR 32 Cb 0.72 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2x9s h THR 32 CO 0.01 0.00 -1.24 0.25 0.37 0.00 0.00 175.52 174.90 2x9s h LEU 33 N 0.00 0.35 -0.54 2.58 5.85 -1.18 -3.17 115.31 119.20 2x9s h LEU 33 Ca 0.01 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.26 2x9s h LEU 33 Cb 0.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2x9s h LEU 33 CO -0.00 1.30 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.31 2x9s h LEU 34 N 0.06 0.95 -9.67 2.25 4.07 0.23 -1.60 115.31 111.59 2x9s h LEU 34 Ca -0.13 -0.32 -0.55 0.00 0.08 0.00 0.00 57.88 56.96 2x9s h LEU 34 Cb 1.95 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 43.39 2x9s h LEU 34 CO 0.19 1.03 0.07 -0.13 -1.08 0.00 0.00 178.44 178.52 2x9s s ARG 35 N -4.98 4.39 -0.49 1.13 0.52 -0.36 -3.60 118.95 115.57 2x9s s ARG 35 Ca -0.12 0.94 -0.17 0.00 -0.52 0.00 0.00 55.73 55.86 2x9s s ARG 35 Cb 0.12 -3.27 -0.16 0.00 0.52 0.00 0.00 34.95 32.16 2x9s s ARG 35 CO 0.84 0.54 1.73 0.41 0.02 0.00 0.00 175.30 178.84 2x9s n GLY 36 N 1.82 2.05 0.10 -3.53 0.00 -1.26 -4.35 105.19 100.02 2x9s n GLY 36 Ca -0.07 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.12 2x9s n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x9s n LYS 37 N 6.28 0.62 0.00 1.61 3.00 -1.20 -3.91 118.16 124.56 2x9s n LYS 37 Ca 0.39 0.15 0.13 0.00 -0.00 0.00 0.00 58.31 58.99 2x9s n LYS 37 Cb 0.28 -1.80 0.30 0.00 0.00 0.00 0.00 35.03 33.81 2x9s n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2x9s n HIS 38 N -2.76 0.00 -3.35 5.64 1.44 -1.26 -4.86 115.22 110.07 2x9s n HIS 38 Ca -0.05 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.28 2x9s n HIS 38 Cb 0.70 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 30.69 2x9s n HIS 38 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2x9s s ARG 39 N -2.34 4.25 0.08 -1.40 0.52 -1.25 -4.96 118.95 113.84 2x9s s ARG 39 Ca 0.26 0.47 0.08 0.00 -0.52 0.00 0.00 55.73 56.02 2x9s s ARG 39 Cb 0.19 -3.38 0.38 0.00 0.52 0.00 0.00 34.95 32.67 2x9s s ARG 39 CO 0.47 0.31 1.23 -0.35 0.02 0.00 0.00 175.30 176.99 2x9s n PRO 40 N 3.12 0.04 -1.75 3.54 -0.04 -1.26 -2.42 135.00 136.23 2x9s n PRO 40 Ca -0.09 0.49 -0.32 0.00 -0.04 0.00 0.00 63.50 63.55 2x9s n PRO 40 Cb 0.52 -1.62 0.05 0.00 -0.04 0.00 0.00 33.50 32.41 2x9s n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2x9s n ASP 41 N -1.70 6.52 -4.64 3.54 5.68 -1.26 -5.04 116.55 119.66 2x9s n ASP 41 Ca 0.00 -3.78 -0.47 0.00 -0.50 0.00 0.00 54.79 50.04 2x9s n ASP 41 Cb 0.04 -0.74 -0.04 0.00 -1.14 0.00 0.00 41.12 39.23 2x9s n ASP 41 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 2x9s n TRP 42 N -0.75 2.01 -3.64 2.11 -0.00 -1.02 -4.82 117.44 111.33 2x9s n TRP 42 Ca 0.53 0.41 -0.28 0.00 -0.00 0.00 0.00 57.50 58.17 2x9s n TRP 42 Cb 0.69 -2.46 -0.16 0.00 -0.00 0.00 0.00 31.31 29.38 2x9s n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2x9s s THR 43 N 0.56 0.22 0.65 5.87 2.01 -1.26 -5.04 115.64 118.65 2x9s s THR 43 Ca 0.78 -0.63 0.37 0.00 0.31 0.00 0.00 61.69 62.51 2x9s s THR 43 Cb -0.75 -0.98 0.38 0.00 0.01 0.00 0.00 72.50 71.16 2x9s s THR 43 CO 0.43 -0.46 2.17 1.55 -0.69 0.00 0.00 174.62 177.62 2x9s h PRO 44 N 8.32 0.00 -0.46 4.92 0.13 -1.95 -3.02 132.00 139.94 2x9s h PRO 44 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2x9s h PRO 44 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2x9s h PRO 44 CO 0.38 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.42 2x9s n ASN 45 N -3.17 3.23 -0.02 1.44 2.04 -1.26 -4.75 115.26 112.77 2x9s n ASN 45 Ca -0.02 -1.99 -0.03 0.00 -0.44 0.00 0.00 54.58 52.10 2x9s n ASN 45 Cb 0.22 -0.31 -0.03 0.00 -2.53 0.00 0.00 39.78 37.14 2x9s n ASN 45 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 2x9s n VAL 46 N 0.87 0.31 -1.06 3.53 3.14 -1.14 -5.10 118.33 118.87 2x9s n VAL 46 Ca 0.15 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2x9s n VAL 46 Cb 0.49 -0.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 2x9s n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2x9s n ALA 47 N -2.45 -1.99 -2.59 1.55 0.00 -1.26 -5.04 120.51 108.72 2x9s n ALA 47 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 2x9s n ALA 47 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.09 2x9s n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9s n MET 48 N -0.40 2.02 -2.55 0.00 0.00 -1.26 -5.02 117.12 109.91 2x9s n MET 48 Ca 0.00 -3.69 -0.19 0.00 0.00 0.00 0.00 57.70 53.82 2x9s n MET 48 Cb 0.04 -1.64 0.08 0.00 0.00 0.00 0.00 33.22 31.70 2x9s n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2x9s n GLY 49 N -0.31 1.33 3.89 3.17 0.00 -1.24 -4.07 105.19 107.97 2x9s n GLY 49 Ca 0.19 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 2x9s n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x9s s ASP 50 N -4.39 6.22 -0.35 1.61 1.01 -0.60 -4.57 116.67 115.59 2x9s s ASP 50 Ca 0.56 1.14 -0.19 0.00 0.71 0.00 0.00 52.55 54.77 2x9s s ASP 50 Cb -0.04 -2.33 -0.00 0.00 1.01 0.00 0.00 42.92 41.56 2x9s s ASP 50 CO 0.37 -0.73 0.58 -0.36 0.21 0.00 0.00 175.17 175.24 2x9s s PHE 51 N -2.95 3.17 -0.29 4.23 0.40 0.05 -4.51 117.98 118.08 2x9s s PHE 51 Ca 0.51 0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 57.03 2x9s s PHE 51 Cb -0.11 -3.03 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 2x9s s PHE 51 CO 0.49 -0.58 0.17 0.08 0.70 0.00 0.00 175.22 176.09 2x9s s VAL 52 N 2.56 5.04 -0.39 -0.44 1.01 -0.86 -1.02 120.40 126.29 2x9s s VAL 52 Ca 0.22 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 2x9s s VAL 52 Cb -0.15 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.81 2x9s s VAL 52 CO 0.14 0.20 0.25 -0.69 0.00 0.00 0.00 175.10 175.00 2x9s s VAL 53 N 1.71 4.78 -0.20 2.92 1.01 0.13 -0.68 120.40 130.07 2x9s s VAL 53 Ca 0.06 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 2x9s s VAL 53 Cb -0.16 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2x9s s VAL 53 CO 0.09 -0.30 0.08 -0.69 0.00 0.00 0.00 175.10 174.27 2x9s s VAL 54 N 1.58 4.75 0.38 2.92 1.01 0.95 -1.49 120.40 130.50 2x9s s VAL 54 Ca 0.03 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.04 2x9s s VAL 54 Cb -0.20 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2x9s s VAL 54 CO 0.07 0.42 0.33 0.54 0.00 0.00 0.00 175.10 176.46 2x9s s VAL 55 N 0.74 3.04 -1.29 2.92 0.11 -0.87 -1.20 120.40 123.85 2x9s s VAL 55 Ca 0.04 -1.37 -0.06 0.00 -2.93 0.00 0.00 61.98 57.66 2x9s s VAL 55 Cb -0.13 -3.08 -0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2x9s s VAL 55 CO 0.02 -0.08 0.63 0.59 -3.33 0.00 0.00 175.10 172.93 2x9s n ASN 56 N -1.46 -2.12 -3.99 3.54 5.03 -1.15 -4.55 115.26 110.57 2x9s n ASN 56 Ca 0.01 -0.94 0.00 0.00 0.87 0.00 0.00 54.58 54.52 2x9s n ASN 56 Cb 0.61 -3.56 0.00 0.00 -1.02 0.00 0.00 39.78 35.81 2x9s n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x9s n ALA 57 N -4.26 0.00 -0.20 5.41 0.00 0.20 -4.53 120.51 117.13 2x9s n ALA 57 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2x9s n ALA 57 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2x9s n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2x9s n ASP 58 N 0.00 -0.00 0.00 0.00 5.75 -1.26 -4.43 116.55 116.60 2x9s n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2x9s n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2x9s n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2x9s n LYS 59 N 0.00 0.00 -1.98 0.11 4.76 -1.26 -4.82 118.16 114.96 2x9s n LYS 59 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 2x9s n LYS 59 Cb 0.00 -1.85 0.01 0.00 -1.84 0.00 0.00 35.03 31.36 2x9s n LYS 59 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2x9s s ILE 60 N -0.37 2.50 0.59 -0.18 -4.36 -0.95 -3.88 121.20 114.53 2x9s s ILE 60 Ca 0.00 0.39 -0.08 0.00 -0.26 0.00 0.00 60.65 60.71 2x9s s ILE 60 Cb 0.00 -3.21 -0.01 0.00 1.25 0.00 0.00 42.46 40.49 2x9s s ILE 60 CO 0.00 0.01 0.93 -0.13 0.24 0.00 0.00 174.94 175.99 2x9s s ARG 61 N -2.67 3.23 -0.20 0.37 3.00 0.77 -4.85 118.95 118.60 2x9s s ARG 61 Ca 0.65 0.29 -0.08 0.00 0.00 0.00 0.00 55.73 56.59 2x9s s ARG 61 Cb -0.37 -2.22 0.08 0.00 0.00 0.00 0.00 34.95 32.44 2x9s s ARG 61 CO 0.45 -0.59 0.44 0.54 0.00 0.00 0.00 175.30 176.14 2x9s s VAL 62 N -3.02 -0.39 0.89 3.52 0.11 -1.26 -1.56 120.40 118.69 2x9s s VAL 62 Ca 0.53 0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.57 2x9s s VAL 62 Cb -0.11 -0.68 0.13 0.00 -1.53 0.00 0.00 36.38 34.19 2x9s s VAL 62 CO 0.48 0.05 1.18 0.42 -3.33 0.00 0.00 175.10 173.90 2x9s s THR 63 N 2.11 1.98 0.00 5.04 -4.23 -1.26 -4.85 115.64 114.43 2x9s s THR 63 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2x9s s THR 63 Cb -0.10 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2x9s s THR 63 CO -0.13 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2x9s n GLY 64 N -2.80 0.74 1.78 3.99 0.00 -1.26 -3.38 105.19 104.26 2x9s n GLY 64 Ca 0.09 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 2x9s n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x9s n LYS 65 N 0.00 1.74 -0.14 1.61 5.02 -1.26 -4.55 118.16 120.58 2x9s n LYS 65 Ca 0.00 -1.57 -0.01 0.00 -2.02 0.00 0.00 58.31 54.71 2x9s n LYS 65 Cb 0.00 -1.62 0.24 0.00 -0.02 0.00 0.00 35.03 33.63 2x9s n LYS 65 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2x9s h LYS 66 N 1.04 0.84 -6.94 1.97 1.57 -1.88 -2.46 116.57 110.72 2x9s h LYS 66 Ca 0.31 -0.11 -0.51 0.00 -1.87 0.00 0.00 60.65 58.46 2x9s h LYS 66 Cb 1.37 -0.16 0.06 0.00 0.08 0.00 0.00 32.23 33.59 2x9s h LYS 66 CO 0.69 0.67 0.54 -0.51 -0.57 0.00 0.00 179.45 180.26 2x9s s LEU 67 N -9.52 4.22 0.00 2.94 1.43 -1.26 -0.09 118.68 116.40 2x9s s LEU 67 Ca -0.10 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 2x9s s LEU 67 Cb 0.16 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2x9s s LEU 67 CO 0.79 -0.71 0.00 -0.62 0.23 0.00 0.00 176.35 176.03 2x9s n GLU 68 N 0.16 0.00 -0.06 1.70 1.02 -1.26 -4.63 120.64 117.57 2x9s n GLU 68 Ca 0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.11 2x9s n GLU 68 Cb 0.45 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.81 2x9s n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2x9s n GLN 69 N 0.00 1.33 -2.13 3.49 6.02 -0.93 -4.94 117.38 120.23 2x9s n GLN 69 Ca 0.00 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 2x9s n GLN 69 Cb 0.00 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 2x9s n GLN 69 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2x9s s LYS 70 N -2.24 4.17 -0.16 -1.09 2.20 0.87 -4.98 119.74 118.51 2x9s s LYS 70 Ca -0.11 2.01 -0.03 0.00 -0.36 0.00 0.00 55.97 57.48 2x9s s LYS 70 Cb 0.04 -3.93 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 2x9s s LYS 70 CO 0.34 -0.84 -0.05 0.42 -0.36 0.00 0.00 175.35 174.87 2x9s s ILE 71 N 3.96 3.78 0.18 5.43 -1.09 -1.26 -2.18 121.20 130.02 2x9s s ILE 71 Ca 0.68 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.67 2x9s s ILE 71 Cb -0.30 -2.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 2x9s s ILE 71 CO 0.25 0.49 0.40 -0.31 -1.23 0.00 0.00 174.94 174.54 2x9s s TYR 72 N 0.45 3.48 0.01 3.97 1.51 0.20 -4.93 117.35 122.03 2x9s s TYR 72 Ca -0.04 0.50 0.03 0.00 -1.01 0.00 0.00 57.07 56.55 2x9s s TYR 72 Cb -0.14 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2x9s s TYR 72 CO 0.03 0.39 -0.10 0.99 -1.11 0.00 0.00 175.55 175.75 2x9s s THR 73 N -1.77 0.80 -0.03 -0.71 2.01 -1.26 -1.82 115.64 112.86 2x9s s THR 73 Ca 0.41 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2x9s s THR 73 Cb -0.12 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.71 2x9s s THR 73 CO 0.27 0.12 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.15 2x9s s ARG 74 N -0.51 0.58 -0.33 4.92 0.52 -0.96 -4.97 118.95 118.20 2x9s s ARG 74 Ca 0.02 -0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 2x9s s ARG 74 Cb -0.05 -0.61 0.08 0.00 0.52 0.00 0.00 34.95 34.89 2x9s s ARG 74 CO 0.00 -0.02 0.04 -0.47 0.02 0.00 0.00 175.30 174.87 2x9s s TYR 75 N 0.58 3.50 0.46 -0.53 5.04 -1.26 0.17 117.35 125.31 2x9s s TYR 75 Ca -0.07 -2.44 -0.22 0.00 -2.44 0.00 0.00 57.07 51.90 2x9s s TYR 75 Cb -0.10 -2.59 -0.08 0.00 0.35 0.00 0.00 41.96 39.54 2x9s s TYR 75 CO -0.00 -0.90 1.11 -1.54 -1.34 0.00 0.00 175.55 172.87 2x9s s SER 76 N 1.25 6.31 0.00 4.32 1.04 -0.01 -4.86 113.70 121.75 2x9s s SER 76 Ca 0.02 2.15 0.01 0.00 0.48 0.00 0.00 55.95 58.61 2x9s s SER 76 Cb -0.20 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.37 2x9s s SER 76 CO -0.05 -0.81 0.49 0.61 0.98 0.00 0.00 173.24 174.46 2x9s n GLY 77 N 0.26 -0.03 3.93 7.32 0.00 -1.26 -4.49 105.19 110.93 2x9s n GLY 77 Ca 0.08 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2x9s n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x9s s TYR 78 N -2.00 3.41 0.15 1.61 1.51 -1.26 -5.01 117.35 115.75 2x9s s TYR 78 Ca 0.01 0.46 -0.33 0.00 -1.01 0.00 0.00 57.07 56.20 2x9s s TYR 78 Cb 0.00 -2.21 -0.13 0.00 -0.11 0.00 0.00 41.96 39.52 2x9s s TYR 78 CO 0.01 -0.22 1.70 -2.30 -1.11 0.00 0.00 175.55 173.63 2x9s n PRO 79 N -2.07 2.47 -3.15 -1.71 -0.02 -1.26 -1.42 135.00 127.83 2x9s n PRO 79 Ca -0.01 0.89 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 2x9s n PRO 79 Cb 0.56 -2.72 0.05 0.00 -0.02 0.00 0.00 33.50 31.38 2x9s n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9s n GLY 80 N 3.83 -0.29 2.00 -1.23 0.00 -1.26 -4.89 105.19 103.35 2x9s n GLY 80 Ca 0.17 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 2x9s n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9s n GLY 81 N -1.58 3.83 3.56 -0.02 0.00 -0.51 -4.90 105.19 105.57 2x9s n GLY 81 Ca -0.04 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2x9s n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x9s s LEU 82 N -3.05 4.26 -0.10 0.99 2.96 -1.26 -0.83 118.68 121.65 2x9s s LEU 82 Ca 0.55 0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 54.38 2x9s s LEU 82 Cb 0.45 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 2x9s s LEU 82 CO 0.13 -0.77 0.28 -0.54 -1.32 0.00 0.00 176.35 174.13 2x9s s LYS 83 N 3.03 3.90 -0.25 1.98 -0.14 0.13 -4.96 119.74 123.43 2x9s s LYS 83 Ca 0.28 0.12 0.01 0.00 -1.36 0.00 0.00 55.97 55.02 2x9s s LYS 83 Cb -0.13 -3.29 0.07 0.00 -1.68 0.00 0.00 37.83 32.80 2x9s s LYS 83 CO 0.19 0.55 -0.04 0.15 -0.76 0.00 0.00 175.35 175.44 2x9s s LYS 84 N -0.49 1.59 -0.04 1.68 1.02 -1.26 -2.27 119.74 119.97 2x9s s LYS 84 Ca 0.18 -1.09 0.07 0.00 0.02 0.00 0.00 55.97 55.15 2x9s s LYS 84 Cb -0.14 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2x9s s LYS 84 CO 0.07 -0.65 -0.25 0.42 -0.92 0.00 0.00 175.35 174.02 2x9s s ILE 85 N 1.35 2.09 0.21 2.17 1.01 -0.76 -4.97 121.20 122.31 2x9s s ILE 85 Ca -0.04 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.59 2x9s s ILE 85 Cb -0.19 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2x9s s ILE 85 CO -0.07 0.57 0.31 -2.16 0.00 0.00 0.00 174.94 173.59 2x9s s PRO 86 N -0.37 3.35 0.19 2.79 0.04 -1.26 0.58 135.00 140.32 2x9s s PRO 86 Ca 0.03 -0.76 -0.18 0.00 0.04 0.00 0.00 61.00 60.13 2x9s s PRO 86 Cb -0.12 -2.85 0.16 0.00 0.04 0.00 0.00 34.50 31.73 2x9s s PRO 86 CO 0.02 0.45 1.37 1.28 0.04 0.00 0.00 177.00 180.15 2x9s n LEU 87 N -1.11 -0.64 -0.34 -3.56 4.77 -0.92 -1.06 117.00 114.14 2x9s n LEU 87 Ca -0.08 1.54 -0.06 0.00 -0.03 0.00 0.00 56.01 57.38 2x9s n LEU 87 Cb 0.56 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2x9s n LEU 87 CO 0.46 -1.36 0.56 -0.33 -1.33 0.00 0.00 177.39 175.38 2x9s h GLU 88 N 0.00 -0.07 0.12 3.23 5.08 -1.89 -0.42 114.58 120.63 2x9s h GLU 88 Ca 0.28 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2x9s h GLU 88 Cb 0.50 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2x9s h GLU 88 CO -0.87 -0.05 -0.27 0.87 -1.00 0.00 0.00 179.01 177.70 2x9s h LYS 89 N -0.07 -0.47 -0.24 2.33 1.79 -1.48 0.23 116.57 118.67 2x9s h LYS 89 Ca 0.25 0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.81 2x9s h LYS 89 Cb 0.54 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 2x9s h LYS 89 CO -0.88 -0.31 -0.19 0.52 -1.08 0.00 0.00 179.45 177.51 2x9s h MET 90 N -0.48 -0.19 -0.62 3.15 2.86 -1.04 0.65 114.93 119.26 2x9s h MET 90 Ca 0.03 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2x9s h MET 90 Cb 0.51 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2x9s h MET 90 CO -0.15 -0.12 0.24 -0.07 1.06 0.00 0.00 176.91 177.86 2x9s h LEU 91 N -0.19 0.86 -2.24 1.22 3.38 -0.99 -1.01 115.31 116.33 2x9s h LEU 91 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2x9s h LEU 91 Cb 0.40 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2x9s h LEU 91 CO -0.35 0.80 0.00 0.00 0.09 0.00 0.00 178.44 178.98 2x9s h ALA 92 N 1.09 1.00 -1.99 1.53 0.00 0.44 -3.35 119.26 117.99 2x9s h ALA 92 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2x9s h ALA 92 Cb 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.79 2x9s h ALA 92 CO -0.02 0.00 -0.17 -0.08 0.00 0.00 0.00 179.25 178.98 2x9s s THR 93 N -3.90 -0.95 -0.21 0.00 -1.32 0.22 -4.93 115.64 104.54 2x9s s THR 93 Ca -0.02 0.02 -0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2x9s s THR 93 Cb 0.11 -0.96 -0.00 0.00 -1.51 0.00 0.00 72.50 70.14 2x9s s THR 93 CO 0.45 0.01 0.18 1.41 -2.21 0.00 0.00 174.62 174.46 2x9s n HIS 94 N 5.44 -0.40 -0.27 9.09 8.25 -1.08 -4.06 115.22 132.19 2x9s n HIS 94 Ca -0.11 0.17 -0.06 0.00 -0.26 0.00 0.00 57.72 57.46 2x9s n HIS 94 Cb 0.49 -2.60 0.06 0.00 1.12 0.00 0.00 29.99 29.06 2x9s n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2x9s h PRO 95 N -0.32 1.05 0.00 -0.41 0.13 -1.55 -2.09 132.00 128.80 2x9s h PRO 95 Ca -0.11 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2x9s h PRO 95 Cb 1.06 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2x9s h PRO 95 CO 0.09 0.80 0.10 -0.85 -0.23 0.00 0.00 178.00 177.91 2x9s n GLU 96 N -4.43 0.02 0.03 0.86 0.00 -1.26 -1.04 120.64 114.82 2x9s n GLU 96 Ca 0.06 0.45 -0.19 0.00 0.00 0.00 0.00 57.16 57.48 2x9s n GLU 96 Cb 0.11 -1.68 -0.13 0.00 0.00 0.00 0.00 31.44 29.74 2x9s n GLU 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2x9s h ARG 97 N 0.00 0.39 -0.61 3.44 2.43 -1.71 -2.77 114.38 115.55 2x9s h ARG 97 Ca 0.00 -0.52 0.12 0.00 -0.81 0.00 0.00 59.98 58.78 2x9s h ARG 97 Cb 0.21 0.17 -0.11 0.00 -0.42 0.00 0.00 29.97 29.81 2x9s h ARG 97 CO 0.00 1.19 -0.12 0.28 -1.51 0.00 0.00 179.97 179.81 2x9s h VAL 98 N -0.16 0.41 -0.04 0.20 2.07 -1.21 0.29 116.25 117.81 2x9s h VAL 98 Ca -0.12 -0.01 -0.25 0.00 0.82 0.00 0.00 66.70 67.15 2x9s h VAL 98 Cb 1.51 0.39 0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2x9s h VAL 98 CO 0.15 0.00 -0.97 0.25 0.02 0.00 0.00 177.57 177.02 2x9s h LEU 99 N 0.02 0.89 -0.35 2.57 7.12 -1.68 -3.04 115.31 120.83 2x9s h LEU 99 Ca 0.30 -0.68 0.05 0.00 0.13 0.00 0.00 57.88 57.68 2x9s h LEU 99 Cb 0.47 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 40.28 2x9s h LEU 99 CO -0.61 1.48 0.09 -0.33 -0.13 0.00 0.00 178.44 178.94 2x9s h GLU 100 N 0.42 0.22 -0.58 1.25 5.08 -0.98 -1.69 114.58 118.31 2x9s h GLU 100 Ca -0.11 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2x9s h GLU 100 Cb 1.61 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.78 2x9s h GLU 100 CO 0.19 0.15 0.38 1.25 -1.00 0.00 0.00 179.01 179.98 2x9s h HIS 101 N 0.23 0.70 -0.10 4.33 2.76 -0.50 0.25 115.15 122.81 2x9s h HIS 101 Ca 0.16 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.19 2x9s h HIS 101 Cb 0.16 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 28.89 2x9s h HIS 101 CO -0.17 0.44 -0.57 0.00 -1.30 0.00 0.00 177.93 176.33 2x9s h ALA 102 N 1.65 0.21 -0.27 5.26 0.00 -1.30 -2.67 119.26 122.13 2x9s h ALA 102 Ca 0.22 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2x9s h ALA 102 Cb -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2x9s h ALA 102 CO -0.05 0.45 -0.17 0.28 0.00 0.00 0.00 179.25 179.76 2x9s h VAL 103 N 0.20 1.30 -0.37 0.00 2.07 -1.05 -3.00 116.25 115.40 2x9s h VAL 103 Ca -0.04 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.25 2x9s h VAL 103 Cb 1.22 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 2x9s h VAL 103 CO 0.12 0.41 0.03 0.50 0.02 0.00 0.00 177.57 178.65 2x9s h LYS 104 N 0.33 0.13 0.00 1.57 3.64 -0.56 0.96 116.57 122.65 2x9s h LYS 104 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2x9s h LYS 104 Cb 0.70 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2x9s h LYS 104 CO 0.05 0.09 -0.00 0.78 -2.27 0.00 0.00 179.45 178.10 2x9s h GLY 105 N 0.14 0.00 -2.64 5.01 0.00 -1.44 -2.12 103.07 102.01 2x9s h GLY 105 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2x9s h GLY 105 CO -0.28 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.29 2x9s n MET 106 N -3.10 3.34 -4.33 4.80 2.81 0.32 -4.92 117.12 116.04 2x9s n MET 106 Ca -0.02 -2.32 -0.28 0.00 -1.81 0.00 0.00 57.70 53.27 2x9s n MET 106 Cb 0.11 -1.83 -0.11 0.00 -0.71 0.00 0.00 33.22 30.68 2x9s n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2x9s s LEU 107 N -1.67 2.73 0.42 4.03 1.43 -0.80 -4.94 118.68 119.88 2x9s s LEU 107 Ca 0.41 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 2x9s s LEU 107 Cb 0.27 -1.49 -0.12 0.00 0.03 0.00 0.00 46.19 44.89 2x9s s LEU 107 CO 0.19 0.14 0.78 -2.65 0.23 0.00 0.00 176.35 175.03 2x9s n PRO 108 N 0.38 0.93 -0.08 1.29 -0.02 -1.26 -4.90 135.00 131.34 2x9s n PRO 108 Ca -0.13 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.78 2x9s n PRO 108 Cb 0.54 -1.77 0.35 0.00 -0.02 0.00 0.00 33.50 32.61 2x9s n PRO 108 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2x9s n LYS 109 N 0.34 1.60 -0.05 -0.52 4.01 -1.26 -3.91 118.16 118.37 2x9s n LYS 109 Ca 0.11 -0.91 0.00 0.00 -0.51 0.00 0.00 58.31 56.99 2x9s n LYS 109 Cb 0.39 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.57 2x9s n LYS 109 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2x9s n GLY 110 N 1.04 0.18 0.22 0.72 0.00 -1.26 -4.83 105.19 101.26 2x9s n GLY 110 Ca 0.14 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 2x9s n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x9s h PRO 111 N 0.00 0.29 -0.31 1.61 0.11 -1.99 -2.12 132.00 129.60 2x9s h PRO 111 Ca 0.00 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 65.89 2x9s h PRO 111 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 2x9s h PRO 111 CO 0.00 0.58 -0.22 1.25 -0.21 0.00 0.00 178.00 179.39 2x9s h LEU 112 N 0.26 0.74 -1.00 2.35 5.85 -1.93 -1.54 115.31 120.03 2x9s h LEU 112 Ca 0.04 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 2x9s h LEU 112 Cb 0.68 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2x9s h LEU 112 CO 0.05 1.02 0.21 1.23 -0.34 0.00 0.00 178.44 180.61 2x9s h GLY 113 N 0.46 1.00 2.00 3.75 0.00 -1.63 -0.48 103.07 108.17 2x9s h GLY 113 Ca 0.06 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 2x9s h GLY 113 CO 0.06 0.51 -0.36 3.21 0.00 0.00 0.00 176.54 179.97 2x9s h ARG 114 N 0.91 0.00 0.05 4.80 3.08 -1.16 -2.56 114.38 119.49 2x9s h ARG 114 Ca 0.21 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.02 2x9s h ARG 114 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2x9s h ARG 114 CO -0.01 0.36 -1.04 -0.09 -1.07 0.00 0.00 179.97 178.11 2x9s h ARG 115 N 0.00 0.31 0.00 0.04 2.43 -0.47 -3.21 114.38 113.48 2x9s h ARG 115 Ca -0.00 -0.40 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 2x9s h ARG 115 Cb 0.65 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2x9s h ARG 115 CO 0.05 1.12 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.39 2x9s h LEU 116 N 0.14 0.00 -0.77 3.80 3.38 -0.86 -2.66 115.31 118.34 2x9s h LEU 116 Ca -0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2x9s h LEU 116 Cb 1.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 2x9s h LEU 116 CO 0.17 0.16 -0.61 0.15 0.09 0.00 0.00 178.44 178.40 2x9s h PHE 117 N 0.00 0.02 0.00 1.13 3.57 -1.46 -2.83 116.94 117.37 2x9s h PHE 117 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2x9s h PHE 117 Cb 0.75 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2x9s h PHE 117 CO 0.00 0.62 -0.27 0.87 -2.23 0.00 0.00 178.31 177.30 2x9s h LYS 118 N 0.01 0.00 0.00 1.11 1.57 -1.54 -1.89 116.57 115.83 2x9s h LYS 118 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2x9s h LYS 118 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2x9s h LYS 118 CO 0.08 0.27 0.00 0.54 -0.57 0.00 0.00 179.45 179.77 2x9s n ARG 119 N -4.16 0.03 -3.33 3.15 5.12 -1.07 -4.68 116.66 111.72 2x9s n ARG 119 Ca -0.02 0.27 -0.38 0.00 -1.93 0.00 0.00 57.85 55.79 2x9s n ARG 119 Cb 0.33 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.07 2x9s n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2x9s s LEU 120 N -2.94 4.34 -0.31 0.55 1.98 -0.71 -2.03 118.68 119.55 2x9s s LEU 120 Ca 0.07 0.90 -0.01 0.00 -2.89 0.00 0.00 54.13 52.20 2x9s s LEU 120 Cb 0.08 -2.71 0.10 0.00 0.66 0.00 0.00 46.19 44.33 2x9s s LEU 120 CO 0.23 0.08 0.10 -0.54 -1.89 0.00 0.00 176.35 174.33 2x9s s LYS 121 N 0.15 0.71 -0.13 1.98 3.01 0.15 -4.99 119.74 120.63 2x9s s LYS 121 Ca 0.26 -1.08 -0.05 0.00 -1.01 0.00 0.00 55.97 54.08 2x9s s LYS 121 Cb -0.16 -1.98 -0.04 0.00 -1.01 0.00 0.00 37.83 34.64 2x9s s LYS 121 CO 0.12 -0.99 0.07 0.08 0.51 0.00 0.00 175.35 175.14 2x9s s VAL 122 N 1.60 4.92 0.01 3.17 1.01 -1.26 -0.03 120.40 129.82 2x9s s VAL 122 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2x9s s VAL 122 Cb -0.17 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2x9s s VAL 122 CO -0.25 0.57 -0.09 -0.31 0.00 0.00 0.00 175.10 175.02 2x9s s TYR 123 N -0.58 0.81 -1.30 5.22 1.51 -0.34 -4.94 117.35 117.73 2x9s s TYR 123 Ca 0.11 -0.24 -0.09 0.00 -1.01 0.00 0.00 57.07 55.84 2x9s s TYR 123 Cb -0.12 -0.50 -0.10 0.00 -0.11 0.00 0.00 41.96 41.13 2x9s s TYR 123 CO 0.02 -0.01 2.84 0.00 -1.11 0.00 0.00 175.55 177.29 2x9s n ALA 124 N 2.43 6.82 -1.00 3.71 0.00 -1.26 0.58 120.51 131.79 2x9s n ALA 124 Ca -0.16 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.28 2x9s n ALA 124 Cb 0.56 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.83 2x9s n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 125 N 3.49 -3.06 2.63 0.00 0.00 -1.26 -4.70 105.19 102.30 2x9s n GLY 125 Ca 0.67 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2x9s n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x9s n PRO 126 N 0.00 -3.98 0.00 1.61 -0.04 -1.26 -4.35 135.00 126.97 2x9s n PRO 126 Ca 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 2x9s n PRO 126 Cb 0.00 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2x9s n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2x9s n ASP 127 N -4.81 -0.81 -3.68 3.54 9.92 -1.26 -4.69 116.55 114.76 2x9s n ASP 127 Ca 0.11 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.22 2x9s n ASP 127 Cb 0.47 0.89 -0.08 0.00 -0.64 0.00 0.00 41.12 41.76 2x9s n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2x9s s HIS 128 N -2.07 -0.35 -1.78 1.24 -3.43 -1.26 -4.76 115.29 102.88 2x9s s HIS 128 Ca 0.00 0.59 0.02 0.00 -0.80 0.00 0.00 55.06 54.87 2x9s s HIS 128 Cb 0.00 0.20 0.07 0.00 -1.43 0.00 0.00 32.58 31.42 2x9s s HIS 128 CO 0.00 -0.45 0.97 -0.35 -2.00 0.00 0.00 174.74 172.91 2x9s n PRO 129 N 1.25 1.22 -3.47 -0.38 -0.04 -1.26 -4.76 135.00 127.57 2x9s n PRO 129 Ca -0.20 -0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 62.55 2x9s n PRO 129 Cb 0.56 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.80 2x9s n PRO 129 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2x9s s HIS 130 N -1.75 3.57 -0.35 0.54 3.76 -1.26 -4.85 115.29 114.95 2x9s s HIS 130 Ca 0.05 -2.13 0.03 0.00 -0.15 0.00 0.00 55.06 52.86 2x9s s HIS 130 Cb 0.03 -3.59 0.30 0.00 1.11 0.00 0.00 32.58 30.43 2x9s s HIS 130 CO 0.03 -0.95 1.27 1.04 -0.85 0.00 0.00 174.74 175.28 2x9s n GLN 131 N 4.07 1.89 0.13 1.40 3.00 -1.26 -4.07 117.38 122.53 2x9s n GLN 131 Ca 0.07 -1.29 -0.05 0.00 -0.01 0.00 0.00 57.00 55.71 2x9s n GLN 131 Cb 0.43 -1.60 -0.02 0.00 0.00 0.00 0.00 30.24 29.04 2x9s n GLN 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2x9s h ALA 132 N 1.99 -1.06 -2.57 -1.58 0.00 -2.00 -3.48 119.26 110.55 2x9s h ALA 132 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x9s h ALA 132 Cb 1.58 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2x9s h ALA 132 CO 0.39 -1.04 0.00 0.94 0.00 0.00 0.00 179.25 179.54 2x9s n GLN 133 N -2.89 0.00 0.00 0.00 7.27 -1.26 -5.15 117.38 115.36 2x9s n GLN 133 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 2x9s n GLN 133 Cb 0.13 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.78 2x9s n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2x9s n ARG 134 N 0.00 0.00 -1.54 3.69 1.85 -1.26 -4.88 116.66 114.52 2x9s n ARG 134 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 2x9s n ARG 134 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 2x9s n ARG 134 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2x9s n PRO 135 N 0.00 0.92 -1.88 2.89 -0.02 -1.00 -4.03 135.00 131.90 2x9s n PRO 135 Ca 0.00 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 2x9s n PRO 135 Cb 0.00 -3.14 -0.03 0.00 -0.02 0.00 0.00 33.50 30.31 2x9s n PRO 135 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2x9s s GLU 136 N 8.28 4.19 0.33 -0.52 2.12 -1.25 -3.22 118.70 128.63 2x9s s GLU 136 Ca 1.04 2.44 0.10 0.00 0.36 0.00 0.00 54.97 58.91 2x9s s GLU 136 Cb -0.35 -3.11 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 2x9s s GLU 136 CO 0.30 -0.61 -0.06 0.15 -0.54 0.00 0.00 175.26 174.50 2x9s s LYS 137 N 0.60 1.93 -1.09 4.30 1.02 -0.80 -4.94 119.74 120.77 2x9s s LYS 137 Ca 0.68 -1.80 -0.07 0.00 0.02 0.00 0.00 55.97 54.79 2x9s s LYS 137 Cb -0.45 -1.83 0.28 0.00 -0.52 0.00 0.00 37.83 35.31 2x9s s LYS 137 CO 0.36 0.18 1.18 1.28 -0.92 0.00 0.00 175.35 177.43 2x9s n LEU 138 N -0.84 5.63 0.00 3.17 4.77 -1.26 -4.71 117.00 123.77 2x9s n LEU 138 Ca -0.05 -5.09 0.00 0.00 -0.03 0.00 0.00 56.01 50.84 2x9s n LEU 138 Cb 0.62 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 2x9s n LEU 138 CO 0.42 1.45 0.00 1.21 -1.33 0.00 0.00 177.39 179.14