#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2x n ASP 2 N 0.00 4.74 -4.82 3.17 2.03 -1.26 -4.98 116.55 115.43 3k2x n ASP 2 Ca 0.00 -3.01 -0.33 0.00 0.52 0.00 0.00 54.79 51.97 3k2x n ASP 2 Cb 0.00 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 38.78 3k2x n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3k2x s PHE 3 N 1.55 3.28 0.02 -0.67 0.08 -1.26 -1.36 117.98 119.62 3k2x s PHE 3 Ca 0.43 1.61 0.00 0.00 0.12 0.00 0.00 56.93 59.09 3k2x s PHE 3 Cb 0.09 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.64 3k2x s PHE 3 CO -0.02 -0.21 -0.03 1.03 -0.10 0.00 0.00 175.22 175.90 3k2x s ARG 4 N -3.14 0.27 0.12 0.44 1.81 -0.49 -4.97 118.95 112.99 3k2x s ARG 4 Ca 0.62 -0.52 0.08 0.00 -1.72 0.00 0.00 55.73 54.19 3k2x s ARG 4 Cb -0.10 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.42 3k2x s ARG 4 CO 0.14 -0.04 -0.11 0.96 -0.68 0.00 0.00 175.30 175.58 3k2x s ILE 5 N -1.22 3.26 0.10 1.52 -4.36 -1.26 -1.51 121.20 117.73 3k2x s ILE 5 Ca -0.13 -1.38 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 3k2x s ILE 5 Cb -0.08 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 3k2x s ILE 5 CO -0.01 0.06 -0.07 -0.83 0.24 0.00 0.00 174.94 174.33 3k2x s GLY 6 N -2.33 0.80 -0.00 6.27 0.00 -0.22 -3.98 107.32 107.87 3k2x s GLY 6 Ca 0.22 -1.34 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 3k2x s GLY 6 CO 0.14 -1.44 0.04 -0.86 0.00 0.00 0.00 173.10 170.97 3k2x s GLN 7 N -3.67 0.21 0.05 2.90 1.03 -1.25 -1.46 119.66 117.46 3k2x s GLN 7 Ca 0.11 -0.23 0.02 0.00 0.04 0.00 0.00 55.36 55.31 3k2x s GLN 7 Cb 0.04 0.08 -0.03 0.00 0.03 0.00 0.00 33.01 33.13 3k2x s GLN 7 CO -0.04 -0.04 -0.07 0.20 -2.54 0.00 0.00 175.29 172.80 3k2x s GLY 8 N -0.68 0.52 0.00 2.60 0.00 0.23 -3.96 107.32 106.03 3k2x s GLY 8 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3k2x s GLY 8 CO -0.00 -0.88 -0.01 -0.47 0.00 0.00 0.00 173.10 171.73 3k2x s TYR 9 N -1.64 0.11 0.03 1.90 6.14 -1.26 -0.74 117.35 121.89 3k2x s TYR 9 Ca -0.08 -0.10 -0.17 0.00 0.64 0.00 0.00 57.07 57.37 3k2x s TYR 9 Cb -0.08 -0.07 0.03 0.00 0.42 0.00 0.00 41.96 42.25 3k2x s TYR 9 CO -0.00 -0.03 0.37 0.34 0.64 0.00 0.00 175.55 176.87 3k2x s ASP 10 N -0.25 -0.23 -0.04 4.32 2.15 -0.26 -4.69 116.67 117.67 3k2x s ASP 10 Ca -0.02 -0.02 -0.09 0.00 0.43 0.00 0.00 52.55 52.85 3k2x s ASP 10 Cb -0.02 0.39 0.02 0.00 -0.30 0.00 0.00 42.92 43.00 3k2x s ASP 10 CO -0.00 -0.61 0.22 0.54 -0.17 0.00 0.00 175.17 175.15 3k2x s VAL 11 N -2.23 0.04 0.02 1.11 0.11 -1.26 -1.04 120.40 117.15 3k2x s VAL 11 Ca -0.07 -0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 58.62 3k2x s VAL 11 Cb -0.02 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3k2x s VAL 11 CO -0.01 -0.20 -0.02 -1.00 -3.33 0.00 0.00 175.10 170.54 3k2x s HIS 12 N -0.76 0.23 0.39 1.54 3.76 -0.90 -5.00 115.29 114.56 3k2x s HIS 12 Ca -0.08 -0.47 -0.25 0.00 -0.15 0.00 0.00 55.06 54.11 3k2x s HIS 12 Cb -0.05 -0.17 -0.09 0.00 1.11 0.00 0.00 32.58 33.39 3k2x s HIS 12 CO 0.02 -0.17 1.10 -0.65 -0.85 0.00 0.00 174.74 174.19 3k2x s GLN 13 N -1.32 4.13 -0.21 1.40 -0.21 -1.26 -1.49 119.66 120.70 3k2x s GLN 13 Ca -0.14 1.67 -0.18 0.00 0.02 0.00 0.00 55.36 56.73 3k2x s GLN 13 Cb -0.09 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.26 3k2x s GLN 13 CO -0.01 -0.21 0.50 -0.51 -2.12 0.00 0.00 175.29 172.95 3k2x s LEU 14 N -2.52 4.13 0.07 2.90 1.43 -0.42 -1.41 118.68 122.86 3k2x s LEU 14 Ca 0.57 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 3k2x s LEU 14 Cb -0.26 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 3k2x s LEU 14 CO 0.33 -0.19 -0.10 0.68 0.23 0.00 0.00 176.35 177.30 3k2x s VAL 15 N 1.72 0.81 0.68 -1.59 -7.23 0.94 -4.85 120.40 110.88 3k2x s VAL 15 Ca 0.23 -1.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.88 3k2x s VAL 15 Cb -0.15 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.79 3k2x s VAL 15 CO 0.09 -0.42 1.25 -2.84 -0.31 0.00 0.00 175.10 172.87 3k2x s PRO 16 N -2.10 2.42 -0.83 4.82 0.02 -1.26 -1.13 135.00 136.94 3k2x s PRO 16 Ca -0.02 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.92 3k2x s PRO 16 Cb -0.07 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.60 3k2x s PRO 16 CO 0.00 -1.66 0.00 0.41 -0.33 0.00 0.00 177.00 175.42 3k2x n GLY 17 N 0.68 0.78 3.15 0.52 0.00 -1.26 -4.83 105.19 104.23 3k2x n GLY 17 Ca 0.15 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3k2x n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k2x s ARG 18 N -3.10 1.31 0.45 1.61 1.81 -1.25 -5.01 118.95 114.76 3k2x s ARG 18 Ca 0.00 -0.59 -0.24 0.00 -1.72 0.00 0.00 55.73 53.18 3k2x s ARG 18 Cb 0.00 -1.27 -0.08 0.00 -0.45 0.00 0.00 34.95 33.15 3k2x s ARG 18 CO 0.00 0.35 1.21 -2.14 -0.68 0.00 0.00 175.30 174.04 3k2x s PRO 19 N -0.42 3.78 -0.41 3.54 0.02 -1.26 -1.70 135.00 138.55 3k2x s PRO 19 Ca 0.06 1.91 -0.22 0.00 0.02 0.00 0.00 61.00 62.78 3k2x s PRO 19 Cb -0.06 -2.51 0.02 0.00 0.02 0.00 0.00 34.50 31.96 3k2x s PRO 19 CO -0.01 -0.57 0.70 -1.17 -0.33 0.00 0.00 177.00 175.62 3k2x s LEU 20 N -2.86 4.31 -0.19 -5.54 2.96 -1.25 -3.67 118.68 112.44 3k2x s LEU 20 Ca 0.62 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 3k2x s LEU 20 Cb -0.32 -2.85 0.03 0.00 0.50 0.00 0.00 46.19 43.55 3k2x s LEU 20 CO 0.40 -0.76 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.85 3k2x s ILE 21 N 2.95 2.07 -0.04 6.68 1.01 -1.26 -0.85 121.20 131.76 3k2x s ILE 21 Ca 0.26 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3k2x s ILE 21 Cb -0.14 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.44 3k2x s ILE 21 CO 0.19 0.45 -0.03 -0.63 0.00 0.00 0.00 174.94 174.92 3k2x s ILE 22 N 1.26 0.40 -1.80 2.92 1.01 -0.58 -4.35 121.20 120.06 3k2x s ILE 22 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3k2x s ILE 22 Cb -0.14 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.87 3k2x s ILE 22 CO -0.12 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3k2x n GLY 23 N 4.17 -0.46 3.04 6.18 0.00 -1.26 -1.28 105.19 115.58 3k2x n GLY 23 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3k2x n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2x n GLY 24 N -1.01 0.87 3.68 -0.02 0.00 -1.26 -4.42 105.19 103.03 3k2x n GLY 24 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 3k2x n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2x s VAL 25 N -3.57 5.29 -0.27 1.61 1.01 -0.41 -5.06 120.40 119.00 3k2x s VAL 25 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3k2x s VAL 25 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3k2x s VAL 25 CO 0.00 0.32 1.07 -0.89 0.00 0.00 0.00 175.10 175.60 3k2x s THR 26 N 1.06 4.57 -0.19 3.92 2.01 -1.26 -1.52 115.64 124.22 3k2x s THR 26 Ca 0.13 1.86 -0.04 0.00 0.31 0.00 0.00 61.69 63.95 3k2x s THR 26 Cb -0.14 -4.34 -0.02 0.00 0.01 0.00 0.00 72.50 68.02 3k2x s THR 26 CO 0.05 -0.32 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.00 3k2x s ILE 27 N 3.45 3.66 0.13 1.82 1.01 -0.03 -5.02 121.20 126.22 3k2x s ILE 27 Ca 0.46 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.38 3k2x s ILE 27 Cb -0.14 -2.64 -0.10 0.00 0.01 0.00 0.00 42.46 39.59 3k2x s ILE 27 CO 0.11 0.44 1.65 -2.16 0.00 0.00 0.00 174.94 174.98 3k2x s PRO 28 N 1.02 4.19 -0.17 2.79 0.04 -1.26 -4.15 135.00 137.45 3k2x s PRO 28 Ca 0.01 2.40 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 3k2x s PRO 28 Cb -0.15 -3.36 0.13 0.00 0.04 0.00 0.00 34.50 31.16 3k2x s PRO 28 CO 0.01 -0.70 1.03 -0.47 0.04 0.00 0.00 177.00 176.91 3k2x s TYR 29 N 1.89 -0.34 0.21 0.56 5.04 -1.26 -4.98 117.35 118.48 3k2x s TYR 29 Ca 0.73 0.57 0.32 0.00 -2.44 0.00 0.00 57.07 56.25 3k2x s TYR 29 Cb -0.43 0.46 1.41 0.00 0.35 0.00 0.00 41.96 43.74 3k2x s TYR 29 CO 0.32 -0.32 2.01 1.05 -1.34 0.00 0.00 175.55 177.27 3k2x h GLU 30 N 2.50 0.00 -5.17 4.97 4.11 -1.93 -3.45 114.58 115.61 3k2x h GLU 30 Ca -0.17 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 58.84 3k2x h GLU 30 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 3k2x h GLU 30 CO 0.30 0.06 -0.64 1.03 0.07 0.00 0.00 179.01 179.83 3k2x s ARG 31 N -3.78 1.46 0.29 1.06 0.52 -1.26 -4.10 118.95 113.14 3k2x s ARG 31 Ca -0.00 -1.77 0.02 0.00 -0.52 0.00 0.00 55.73 53.47 3k2x s ARG 31 Cb 0.10 -0.74 -0.03 0.00 0.52 0.00 0.00 34.95 34.81 3k2x s ARG 31 CO 0.55 -0.12 0.28 0.20 0.02 0.00 0.00 175.30 176.24 3k2x s GLY 32 N -3.38 1.85 0.10 -3.53 0.00 -0.28 -3.87 107.32 98.21 3k2x s GLY 32 Ca 0.32 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 43.03 3k2x s GLY 32 CO 0.11 -1.33 0.60 1.08 0.00 0.00 0.00 173.10 173.56 3k2x s LEU 33 N -3.27 4.49 -0.17 0.66 1.43 -1.24 -0.04 118.68 120.54 3k2x s LEU 33 Ca 0.38 1.28 -0.08 0.00 -1.03 0.00 0.00 54.13 54.68 3k2x s LEU 33 Cb 0.03 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 3k2x s LEU 33 CO 0.21 0.23 0.10 -0.22 0.23 0.00 0.00 176.35 176.90 3k2x s LEU 34 N -1.30 4.05 0.00 1.79 2.96 -0.50 -4.64 118.68 121.04 3k2x s LEU 34 Ca 0.32 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 3k2x s LEU 34 Cb -0.19 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3k2x s LEU 34 CO 0.20 0.23 0.00 0.61 -1.32 0.00 0.00 176.35 176.07 3k2x n GLY 35 N 3.19 -1.93 0.00 7.98 0.00 -1.26 -4.40 105.19 108.76 3k2x n GLY 35 Ca -0.17 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3k2x n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k2x n ASP 38 N 0.00 0.00 -3.93 1.61 5.68 -1.26 -5.08 116.55 113.57 3k2x n ASP 38 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.99 3k2x n ASP 38 Cb 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 3k2x n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k2x n ALA 39 N -0.64 -1.36 -2.38 2.12 0.00 -1.26 -4.72 120.51 112.26 3k2x n ALA 39 Ca 0.00 0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 3k2x n ALA 39 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 19.45 15.30 3k2x n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k2x s ASP 40 N -3.43 5.96 0.26 0.00 -1.08 -1.26 -4.80 116.67 112.31 3k2x s ASP 40 Ca 0.60 -0.70 -0.04 0.00 -0.52 0.00 0.00 52.55 51.88 3k2x s ASP 40 Cb -0.30 -2.56 0.34 0.00 -1.46 0.00 0.00 42.92 38.94 3k2x s ASP 40 CO 0.84 -1.97 1.90 1.62 0.52 0.00 0.00 175.17 178.08 3k2x h VAL 41 N 6.64 1.15 -0.10 1.11 3.04 -1.90 -0.57 116.25 125.63 3k2x h VAL 41 Ca -0.05 -0.42 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 3k2x h VAL 41 Cb 1.05 -0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.14 3k2x h VAL 41 CO 1.31 0.22 0.01 0.25 -1.01 0.00 0.00 177.57 178.35 3k2x h LEU 42 N 1.22 0.16 -0.81 3.16 5.85 -1.90 -1.20 115.31 121.79 3k2x h LEU 42 Ca 0.40 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3k2x h LEU 42 Cb 0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3k2x h LEU 42 CO -0.14 0.41 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.10 3k2x h LEU 43 N -0.09 0.67 -0.59 2.25 3.38 -1.86 -1.76 115.31 117.32 3k2x h LEU 43 Ca 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3k2x h LEU 43 Cb 0.32 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3k2x h LEU 43 CO 0.00 0.87 0.31 0.45 0.09 0.00 0.00 178.44 180.17 3k2x h HIS 44 N 0.59 0.82 -0.45 1.13 3.86 -1.05 0.93 115.15 120.99 3k2x h HIS 44 Ca 0.09 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 3k2x h HIS 44 Cb 0.67 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 3k2x h HIS 44 CO 0.03 0.61 0.09 0.00 0.86 0.00 0.00 177.93 179.51 3k2x h ALA 45 N 1.14 0.59 -0.61 2.45 0.00 -0.87 -1.39 119.26 120.57 3k2x h ALA 45 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3k2x h ALA 45 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3k2x h ALA 45 CO -0.03 0.30 0.25 0.82 0.00 0.00 0.00 179.25 180.59 3k2x h ILE 46 N 0.60 1.23 -0.34 0.00 2.04 -1.12 -0.74 117.51 119.18 3k2x h ILE 46 Ca 0.14 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.34 3k2x h ILE 46 Cb 0.36 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3k2x h ILE 46 CO 0.01 0.28 0.03 0.74 0.00 0.00 0.00 178.15 179.21 3k2x h THR 47 N 0.84 0.79 -0.73 -0.27 2.02 -0.60 -1.24 112.91 113.72 3k2x h THR 47 Ca 0.20 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3k2x h THR 47 Cb 0.20 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3k2x h THR 47 CO -0.02 0.03 0.39 0.44 0.37 0.00 0.00 175.52 176.73 3k2x h ASP 48 N 0.14 0.92 -0.76 4.18 5.19 -1.03 -1.28 116.42 123.77 3k2x h ASP 48 Ca 0.16 -0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 3k2x h ASP 48 Cb 0.20 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.43 3k2x h ASP 48 CO -0.24 0.76 0.48 0.00 -3.12 0.00 0.00 179.24 177.11 3k2x h ALA 49 N 1.20 1.00 -0.17 3.45 0.00 -0.81 0.88 119.26 124.81 3k2x h ALA 49 Ca 0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3k2x h ALA 49 Cb 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3k2x h ALA 49 CO -0.04 0.27 -0.08 -0.07 0.00 0.00 0.00 179.25 179.33 3k2x h LEU 50 N 0.93 0.36 -1.29 0.00 3.38 -0.95 -0.76 115.31 116.97 3k2x h LEU 50 Ca 0.31 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3k2x h LEU 50 Cb 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3k2x h LEU 50 CO -0.12 0.68 0.44 -0.26 0.09 0.00 0.00 178.44 179.28 3k2x h PHE 51 N 0.03 0.89 -0.23 1.13 0.04 -1.11 -1.90 116.94 115.78 3k2x h PHE 51 Ca 0.04 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 3k2x h PHE 51 Cb 0.55 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3k2x h PHE 51 CO 0.06 0.57 0.08 0.78 -0.60 0.00 0.00 178.31 179.20 3k2x h GLY 52 N 0.96 0.39 1.34 -1.45 0.00 -0.56 0.81 103.07 104.55 3k2x h GLY 52 Ca 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3k2x h GLY 52 CO -0.05 0.21 0.22 0.00 0.00 0.00 0.00 176.54 176.92 3k2x h ALA 53 N 0.91 1.30 -0.08 3.60 0.00 -0.88 -1.61 119.26 122.50 3k2x h ALA 53 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3k2x h ALA 53 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3k2x h ALA 53 CO -0.00 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3k2x n ALA 54 N -2.45 2.57 -3.95 0.00 0.00 -0.74 -4.62 120.51 111.32 3k2x n ALA 54 Ca 0.05 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 3k2x n ALA 54 Cb 0.17 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 3k2x n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k2x n ALA 55 N -0.13 -1.91 -0.44 0.00 0.00 -0.55 -4.91 120.51 112.58 3k2x n ALA 55 Ca 0.17 -0.21 0.08 0.00 0.00 0.00 0.00 53.44 53.48 3k2x n ALA 55 Cb 0.24 -1.86 0.24 0.00 0.00 0.00 0.00 19.45 18.07 3k2x n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k2x n LEU 56 N -4.40 3.65 0.00 0.00 4.77 0.17 -5.03 117.00 116.16 3k2x n LEU 56 Ca -0.26 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 3k2x n LEU 56 Cb 0.66 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3k2x n LEU 56 CO 0.75 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.20 3k2x n GLY 57 N 0.65 0.96 3.53 -0.72 0.00 -1.25 -4.93 105.19 103.42 3k2x n GLY 57 Ca 0.18 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3k2x n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k2x s ASP 58 N -4.00 0.28 0.24 1.61 1.47 -1.26 -4.04 116.67 110.97 3k2x s ASP 58 Ca 0.00 -1.18 -0.04 0.00 1.18 0.00 0.00 52.55 52.51 3k2x s ASP 58 Cb 0.00 0.61 0.40 0.00 -0.34 0.00 0.00 42.92 43.59 3k2x s ASP 58 CO 0.00 -1.20 1.79 -0.29 0.68 0.00 0.00 175.17 176.16 3k2x h ILE 59 N 2.23 0.86 -0.07 2.11 2.10 -1.92 -1.52 117.51 121.30 3k2x h ILE 59 Ca -0.28 -0.24 -0.05 0.00 1.08 0.00 0.00 64.86 65.37 3k2x h ILE 59 Cb 1.25 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 3k2x h ILE 59 CO 0.38 0.13 -0.20 1.23 -1.08 0.00 0.00 178.15 178.61 3k2x h GLY 60 N 0.70 0.12 1.68 8.18 0.00 -1.97 -1.26 103.07 110.53 3k2x h GLY 60 Ca 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3k2x h GLY 60 CO -0.27 0.07 -0.23 -0.96 0.00 0.00 0.00 176.54 175.15 3k2x n ARG 61 N -4.25 0.27 -0.10 4.80 1.85 -0.60 -4.16 116.66 114.47 3k2x n ARG 61 Ca -0.02 0.16 -0.14 0.00 -1.00 0.00 0.00 57.85 56.85 3k2x n ARG 61 Cb 0.29 -1.75 -0.14 0.00 -1.05 0.00 0.00 32.46 29.81 3k2x n ARG 61 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3k2x n HIS 62 N -2.19 0.21 -2.89 2.89 8.25 -0.90 -4.99 115.22 115.59 3k2x n HIS 62 Ca 0.05 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3k2x n HIS 62 Cb 0.43 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.51 3k2x n HIS 62 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3k2x n PHE 63 N -3.07 0.00 -0.47 4.41 3.72 -0.52 -5.12 117.46 116.41 3k2x n PHE 63 Ca -0.37 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.77 3k2x n PHE 63 Cb 1.07 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.82 3k2x n PHE 63 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3k2x n ASP 74 N 0.00 -3.04 0.24 4.37 5.68 -1.26 -4.73 116.55 117.82 3k2x n ASP 74 Ca 0.00 -0.44 0.12 0.00 -0.50 0.00 0.00 54.79 53.97 3k2x n ASP 74 Cb 0.00 -0.94 0.55 0.00 -1.14 0.00 0.00 41.12 39.59 3k2x n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3k2x h SER 75 N -2.83 0.00 0.00 -1.12 0.02 -1.96 -2.26 113.55 105.40 3k2x h SER 75 Ca -0.41 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.30 3k2x h SER 75 Cb 1.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.69 3k2x h SER 75 CO 0.28 0.16 -0.89 0.03 -1.14 0.00 0.00 176.83 175.27 3k2x h ARG 76 N 0.00 0.68 -0.88 3.45 3.08 -1.98 -0.14 114.38 118.59 3k2x h ARG 76 Ca -0.00 -0.64 -0.02 0.00 0.07 0.00 0.00 59.98 59.39 3k2x h ARG 76 Cb 0.63 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 3k2x h ARG 76 CO 0.02 1.24 0.47 0.00 -1.07 0.00 0.00 179.97 180.63 3k2x h ALA 77 N 0.56 1.12 -0.34 0.04 0.00 -1.88 -0.45 119.26 118.31 3k2x h ALA 77 Ca -0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3k2x h ALA 77 Cb 1.52 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3k2x h ALA 77 CO 0.17 0.64 -0.17 -0.07 0.00 0.00 0.00 179.25 179.82 3k2x h LEU 78 N 1.23 0.62 -0.54 0.00 3.38 -1.31 -0.74 115.31 117.93 3k2x h LEU 78 Ca 0.31 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3k2x h LEU 78 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3k2x h LEU 78 CO -0.05 0.80 -0.29 0.25 0.09 0.00 0.00 178.44 179.24 3k2x h LEU 79 N 0.56 0.89 -0.44 1.67 5.85 -0.62 -0.84 115.31 122.38 3k2x h LEU 79 Ca 0.09 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3k2x h LEU 79 Cb 0.61 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3k2x h LEU 79 CO 0.04 1.12 0.24 0.03 -0.34 0.00 0.00 178.44 179.53 3k2x h ARG 80 N 0.73 0.61 -0.69 1.25 3.08 -0.81 -1.45 114.38 117.10 3k2x h ARG 80 Ca 0.08 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3k2x h ARG 80 Cb 0.85 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3k2x h ARG 80 CO 0.07 0.49 0.45 1.49 -1.07 0.00 0.00 179.97 181.41 3k2x h GLU 81 N 0.57 0.92 -0.17 0.04 4.57 -0.99 -1.02 114.58 118.49 3k2x h GLU 81 Ca 0.15 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 3k2x h GLU 81 Cb 0.06 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 3k2x h GLU 81 CO -0.02 0.62 -0.07 0.00 -1.18 0.00 0.00 179.01 178.35 3k2x h ALA 83 N 1.11 1.37 -0.04 0.00 0.00 -0.99 0.19 119.26 120.90 3k2x h ALA 83 Ca 0.09 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3k2x h ALA 83 Cb 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3k2x h ALA 83 CO -0.20 0.56 -0.06 1.03 0.00 0.00 0.00 179.25 180.57 3k2x h SER 84 N 1.23 -0.18 -0.52 0.00 0.87 -0.35 -1.56 113.55 113.04 3k2x h SER 84 Ca 0.37 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.91 3k2x h SER 84 Cb -0.05 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3k2x h SER 84 CO -0.10 -0.09 0.17 0.03 -0.53 0.00 0.00 176.83 176.31 3k2x h ARG 85 N -0.08 0.86 -0.35 2.24 3.08 0.11 0.38 114.38 120.62 3k2x h ARG 85 Ca 0.04 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3k2x h ARG 85 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3k2x h ARG 85 CO -0.10 0.75 0.21 0.28 -1.07 0.00 0.00 179.97 180.05 3k2x h VAL 86 N 0.84 1.12 -0.31 2.04 2.07 -0.83 -1.41 116.25 119.77 3k2x h VAL 86 Ca 0.19 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 3k2x h VAL 86 Cb 0.26 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3k2x h VAL 86 CO -0.01 0.12 -0.26 0.00 0.02 0.00 0.00 177.57 177.45 3k2x h ALA 87 N 1.08 0.98 -0.17 1.67 0.00 -0.85 -2.18 119.26 119.80 3k2x h ALA 87 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3k2x h ALA 87 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k2x h ALA 87 CO -0.02 0.60 0.01 0.37 0.00 0.00 0.00 179.25 180.20 3k2x h GLN 88 N 0.54 0.25 -0.00 0.00 5.75 -0.46 0.07 115.11 121.26 3k2x h GLN 88 Ca 0.07 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3k2x h GLN 88 Cb 0.72 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.23 3k2x h GLN 88 CO 0.06 0.27 -0.00 0.00 -2.65 0.00 0.00 178.83 176.50 3k2x n ALA 89 N -2.50 2.50 -0.19 3.38 0.00 -0.57 -4.92 120.51 118.21 3k2x n ALA 89 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3k2x n ALA 89 Cb 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3k2x n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k2x n GLY 90 N 1.27 0.90 3.87 0.00 0.00 0.01 -5.07 105.19 106.17 3k2x n GLY 90 Ca 0.15 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3k2x n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k2x s PHE 91 N -2.00 3.46 -0.07 1.61 0.08 -0.85 -2.83 117.98 117.38 3k2x s PHE 91 Ca 0.00 0.29 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 3k2x s PHE 91 Cb 0.00 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 3k2x s PHE 91 CO 0.00 0.61 0.01 0.00 -0.10 0.00 0.00 175.22 175.74 3k2x s ALA 92 N -1.31 3.33 -0.03 5.36 0.00 0.46 -3.78 121.76 125.80 3k2x s ALA 92 Ca 0.27 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 3k2x s ALA 92 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 3k2x s ALA 92 CO 0.18 0.61 0.86 0.42 0.00 0.00 0.00 175.76 177.83 3k2x s ILE 93 N -0.95 4.94 -0.27 0.00 1.01 -1.26 -0.69 121.20 123.98 3k2x s ILE 93 Ca 0.15 1.80 -0.03 0.00 0.00 0.00 0.00 60.65 62.57 3k2x s ILE 93 Cb -0.11 -4.20 -0.15 0.00 0.01 0.00 0.00 42.46 38.00 3k2x s ILE 93 CO 0.05 0.20 -0.27 0.54 0.00 0.00 0.00 174.94 175.46 3k2x n ARG 94 N 3.83 0.63 -3.46 2.79 5.12 0.81 -4.95 116.66 121.42 3k2x n ARG 94 Ca 0.03 0.19 -0.10 0.00 -1.93 0.00 0.00 57.85 56.03 3k2x n ARG 94 Cb 0.51 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 30.28 3k2x n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3k2x s ASN 95 N -6.83 -0.47 0.01 0.55 4.22 -1.08 -4.86 114.94 106.47 3k2x s ASN 95 Ca -0.36 0.01 0.03 0.00 -2.14 0.00 0.00 52.86 50.40 3k2x s ASN 95 Cb 0.11 0.50 -0.01 0.00 1.28 0.00 0.00 41.25 43.12 3k2x s ASN 95 CO 0.56 -0.80 -0.09 0.68 -2.04 0.00 0.00 177.10 175.41 3k2x s VAL 96 N -3.41 0.71 0.11 3.54 -7.23 0.08 -1.46 120.40 112.73 3k2x s VAL 96 Ca 0.03 -0.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.68 3k2x s VAL 96 Cb -0.01 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 3k2x s VAL 96 CO -0.11 0.07 -0.12 -0.62 -0.31 0.00 0.00 175.10 174.01 3k2x s ASP 97 N -0.56 1.76 0.16 4.85 2.15 -0.15 -0.92 116.67 123.96 3k2x s ASP 97 Ca 0.01 -0.80 -0.23 0.00 0.43 0.00 0.00 52.55 51.95 3k2x s ASP 97 Cb -0.05 -0.04 0.07 0.00 -0.30 0.00 0.00 42.92 42.60 3k2x s ASP 97 CO 0.00 -0.19 0.65 -0.94 -0.17 0.00 0.00 175.17 174.52 3k2x s SER 98 N -2.42 -0.50 -0.02 -0.34 1.04 -0.95 -0.68 113.70 109.82 3k2x s SER 98 Ca 0.07 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.43 3k2x s SER 98 Cb -0.04 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.68 3k2x s SER 98 CO 0.02 -0.97 -0.01 -0.89 0.98 0.00 0.00 173.24 172.36 3k2x s THR 99 N -3.69 0.22 -0.17 2.02 2.01 -0.06 -1.02 115.64 114.94 3k2x s THR 99 Ca 0.03 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 3k2x s THR 99 Cb -0.02 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 3k2x s THR 99 CO -0.10 0.12 0.09 -0.63 -0.69 0.00 0.00 174.62 173.41 3k2x s ILE 100 N 0.59 5.04 -0.35 1.82 1.01 0.41 -1.04 121.20 128.67 3k2x s ILE 100 Ca -0.06 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 3k2x s ILE 100 Cb -0.09 -3.26 0.05 0.00 0.01 0.00 0.00 42.46 39.17 3k2x s ILE 100 CO -0.01 0.48 0.12 -0.63 0.00 0.00 0.00 174.94 174.90 3k2x s ILE 101 N 0.12 3.66 -0.11 2.92 -1.09 0.70 -0.82 121.20 126.59 3k2x s ILE 101 Ca 0.07 -1.29 -0.05 0.00 -2.23 0.00 0.00 60.65 57.15 3k2x s ILE 101 Cb -0.12 -3.14 0.05 0.00 -1.58 0.00 0.00 42.46 37.68 3k2x s ILE 101 CO -0.00 -0.25 0.23 0.00 -1.23 0.00 0.00 174.94 173.69 3k2x s ALA 102 N 1.36 -0.49 0.22 9.38 0.00 -0.22 -1.86 121.76 130.14 3k2x s ALA 102 Ca -0.01 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 3k2x s ALA 102 Cb -0.20 -0.76 0.17 0.00 0.00 0.00 0.00 23.12 22.33 3k2x s ALA 102 CO 0.01 -0.37 1.75 0.37 0.00 0.00 0.00 175.76 177.52 3k2x h GLN 103 N 7.66 1.10 -3.13 0.00 5.75 -1.80 -3.34 115.11 121.35 3k2x h GLN 103 Ca -0.30 -0.25 -0.05 0.00 -0.15 0.00 0.00 58.65 57.90 3k2x h GLN 103 Cb 1.14 -0.15 -0.14 0.00 1.07 0.00 0.00 27.48 29.39 3k2x h GLN 103 CO 0.28 0.96 -0.02 0.00 -2.65 0.00 0.00 178.83 177.40 3k2x s ALA 104 N -5.33 -1.12 1.02 3.38 0.00 -1.26 -4.85 121.76 113.59 3k2x s ALA 104 Ca -0.12 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 3k2x s ALA 104 Cb 0.15 0.58 0.12 0.00 0.00 0.00 0.00 23.12 23.97 3k2x s ALA 104 CO 0.84 -0.59 0.69 -0.35 0.00 0.00 0.00 175.76 176.35 3k2x n PRO 105 N 0.04 -0.86 -1.96 0.00 -0.04 -1.26 -5.06 135.00 125.86 3k2x n PRO 105 Ca -0.17 -1.08 -0.42 0.00 -0.04 0.00 0.00 63.50 61.79 3k2x n PRO 105 Cb 0.62 -0.75 -0.03 0.00 -0.04 0.00 0.00 33.50 33.31 3k2x n PRO 105 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3k2x s LYS 106 N -4.52 4.17 -0.01 0.54 2.47 -1.26 -4.90 119.74 116.22 3k2x s LYS 106 Ca 0.40 2.25 0.22 0.00 -1.56 0.00 0.00 55.97 57.28 3k2x s LYS 106 Cb -0.01 -4.01 -0.30 0.00 -1.46 0.00 0.00 37.83 32.04 3k2x s LYS 106 CO 0.28 -0.87 0.56 1.28 0.16 0.00 0.00 175.35 176.77 3k2x n LEU 107 N 7.21 0.16 -0.32 5.43 4.77 -1.26 -4.61 117.00 128.38 3k2x n LEU 107 Ca 0.18 -0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 3k2x n LEU 107 Cb 0.43 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.72 3k2x n LEU 107 CO 0.63 0.01 0.77 0.00 -1.33 0.00 0.00 177.39 177.48 3k2x h ALA 108 N 2.11 0.91 0.00 -1.18 0.00 -2.00 0.50 119.26 119.59 3k2x h ALA 108 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3k2x h ALA 108 Cb 0.95 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3k2x h ALA 108 CO 0.00 -0.48 0.00 -2.30 0.00 0.00 0.00 179.25 176.47 3k2x n PRO 109 N -5.48 0.24 -0.00 0.00 -0.02 -1.26 -3.06 135.00 125.42 3k2x n PRO 109 Ca 0.18 0.12 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 3k2x n PRO 109 Cb 0.60 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.52 3k2x n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3k2x n HIS 110 N -1.30 0.00 -0.10 6.00 8.25 0.15 -4.75 115.22 123.47 3k2x n HIS 110 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 3k2x n HIS 110 Cb 0.15 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 3k2x n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3k2x h ILE 111 N 0.00 1.26 -0.53 1.59 2.04 -1.43 -2.19 117.51 118.25 3k2x h ILE 111 Ca 0.00 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3k2x h ILE 111 Cb 0.29 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3k2x h ILE 111 CO 0.00 0.31 0.24 0.44 0.00 0.00 0.00 178.15 179.14 3k2x h ASP 112 N 0.30 0.68 -0.54 1.72 3.32 -1.85 -1.18 116.42 118.87 3k2x h ASP 112 Ca 0.08 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3k2x h ASP 112 Cb 0.45 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3k2x h ASP 112 CO 0.02 0.59 0.09 0.00 -1.72 0.00 0.00 179.24 178.22 3k2x h ALA 113 N 1.51 1.06 -0.45 3.45 0.00 -1.80 -1.00 119.26 122.03 3k2x h ALA 113 Ca 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k2x h ALA 113 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3k2x h ALA 113 CO -0.02 0.61 0.26 0.52 0.00 0.00 0.00 179.25 180.62 3k2x h MET 114 N 0.88 0.62 -0.40 0.00 2.86 -0.73 -0.38 114.93 117.78 3k2x h MET 114 Ca 0.18 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3k2x h MET 114 Cb 0.40 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3k2x h MET 114 CO 0.01 0.47 0.24 0.00 1.06 0.00 0.00 176.91 178.68 3k2x h ARG 115 N 0.60 0.47 -0.29 1.72 3.08 -0.95 -0.26 114.38 118.74 3k2x h ARG 115 Ca 0.16 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3k2x h ARG 115 Cb 0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3k2x h ARG 115 CO -0.03 0.31 0.18 0.00 -1.07 0.00 0.00 179.97 179.36 3k2x h ALA 116 N 1.17 0.36 -0.13 0.04 0.00 -0.96 0.18 119.26 119.93 3k2x h ALA 116 Ca 0.16 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3k2x h ALA 116 Cb -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3k2x h ALA 116 CO -0.07 -0.19 -0.11 -0.91 0.00 0.00 0.00 179.25 177.97 3k2x h ASN 117 N 0.36 -0.34 -0.24 0.00 2.35 -0.73 -0.77 115.58 116.22 3k2x h ASN 117 Ca 0.11 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3k2x h ASN 117 Cb -0.02 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3k2x h ASN 117 CO -0.04 -0.15 0.16 0.40 -1.65 0.00 0.00 177.43 176.15 3k2x h ILE 118 N -0.12 1.07 -0.32 2.81 2.04 -0.89 -1.14 117.51 120.95 3k2x h ILE 118 Ca 0.08 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3k2x h ILE 118 Cb 0.25 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3k2x h ILE 118 CO -0.20 0.06 0.01 0.00 0.00 0.00 0.00 178.15 178.02 3k2x h ALA 119 N 1.08 0.30 -0.39 1.87 0.00 -0.82 0.58 119.26 121.88 3k2x h ALA 119 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3k2x h ALA 119 Cb -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3k2x h ALA 119 CO -0.02 -0.39 0.26 0.00 0.00 0.00 0.00 179.25 179.10 3k2x h ALA 120 N 1.27 0.49 -0.30 0.00 0.00 -0.97 0.18 119.26 119.94 3k2x h ALA 120 Ca 0.16 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3k2x h ALA 120 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k2x h ALA 120 CO -0.25 -0.04 -0.22 -0.44 0.00 0.00 0.00 179.25 178.30 3k2x h ASP 121 N 0.53 0.56 -0.03 0.00 3.32 -0.64 -2.73 116.42 117.43 3k2x h ASP 121 Ca 0.14 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3k2x h ASP 121 Cb -0.06 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3k2x h ASP 121 CO -0.03 0.78 0.00 0.18 -1.72 0.00 0.00 179.24 178.45 3k2x n LEU 122 N -4.13 1.73 -3.77 1.55 4.77 0.15 -4.55 117.00 112.75 3k2x n LEU 122 Ca 0.00 -0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 55.17 3k2x n LEU 122 Cb 0.40 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 3k2x n LEU 122 CO 0.42 0.29 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.01 3k2x n ASP 123 N 0.36 -1.09 -4.48 -1.43 2.03 -0.31 -4.99 116.55 106.63 3k2x n ASP 123 Ca 0.18 -0.86 -0.29 0.00 0.52 0.00 0.00 54.79 54.34 3k2x n ASP 123 Cb 0.39 -3.81 -0.11 0.00 -0.72 0.00 0.00 41.12 36.87 3k2x n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k2x s LEU 124 N -6.77 2.67 0.66 -2.67 1.43 0.48 -5.03 118.68 109.45 3k2x s LEU 124 Ca 0.03 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 3k2x s LEU 124 Cb -0.02 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 3k2x s LEU 124 CO 0.83 0.17 1.08 -2.16 0.23 0.00 0.00 176.35 176.50 3k2x s PRO 125 N -2.22 2.92 0.34 1.29 0.04 -1.26 -4.44 135.00 131.67 3k2x s PRO 125 Ca 0.18 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.46 3k2x s PRO 125 Cb -0.10 -1.98 0.68 0.00 0.04 0.00 0.00 34.50 33.14 3k2x s PRO 125 CO 0.10 -1.13 1.91 -0.07 0.04 0.00 0.00 177.00 177.85 3k2x h LEU 126 N -0.19 0.75 0.00 -3.56 3.38 -1.93 -2.18 115.31 111.59 3k2x h LEU 126 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3k2x h LEU 126 Cb 1.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3k2x h LEU 126 CO 0.55 0.45 0.00 -0.90 0.09 0.00 0.00 178.44 178.64 3k2x n ASP 127 N -4.51 0.00 -0.47 -0.43 5.75 -1.26 -2.12 116.55 113.51 3k2x n ASP 127 Ca 0.14 -1.05 0.04 0.00 -0.01 0.00 0.00 54.79 53.91 3k2x n ASP 127 Cb 0.30 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.49 3k2x n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k2x n ARG 128 N -0.77 2.36 -4.30 0.11 1.74 -0.82 -4.96 116.66 110.02 3k2x n ARG 128 Ca 0.09 -1.75 -0.26 0.00 -0.77 0.00 0.00 57.85 55.17 3k2x n ARG 128 Cb 0.04 -1.20 -0.17 0.00 -1.02 0.00 0.00 32.46 30.11 3k2x n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k2x s VAL 129 N -0.95 1.11 0.01 1.55 1.01 -0.90 -0.74 120.40 121.49 3k2x s VAL 129 Ca 0.17 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3k2x s VAL 129 Cb 0.09 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3k2x s VAL 129 CO 0.12 0.36 -0.13 0.21 0.00 0.00 0.00 175.10 175.67 3k2x s ASN 130 N 1.09 1.47 -0.05 3.32 2.47 -0.10 -4.97 114.94 118.18 3k2x s ASN 130 Ca -0.06 -0.32 0.02 0.00 0.42 0.00 0.00 52.86 52.92 3k2x s ASN 130 Cb -0.14 -0.13 0.01 0.00 -1.45 0.00 0.00 41.25 39.54 3k2x s ASN 130 CO -0.01 0.09 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.67 3k2x s VAL 131 N -0.53 0.88 0.25 -5.21 1.01 -1.26 -2.25 120.40 113.28 3k2x s VAL 131 Ca 0.03 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.75 3k2x s VAL 131 Cb -0.06 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 3k2x s VAL 131 CO 0.00 0.29 -0.17 -0.54 0.00 0.00 0.00 175.10 174.68 3k2x s LYS 132 N 0.57 1.53 0.02 2.72 1.02 -0.19 -4.97 119.74 120.43 3k2x s LYS 132 Ca -0.10 -1.69 0.02 0.00 0.02 0.00 0.00 55.97 54.21 3k2x s LYS 132 Cb -0.13 -1.47 -0.01 0.00 -0.52 0.00 0.00 37.83 35.69 3k2x s LYS 132 CO 0.02 0.26 -0.06 0.00 -0.92 0.00 0.00 175.35 174.65 3k2x s ALA 133 N -2.72 0.46 0.00 5.17 0.00 -1.26 -0.45 121.76 122.96 3k2x s ALA 133 Ca 0.27 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 3k2x s ALA 133 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3k2x s ALA 133 CO 0.11 0.03 0.06 0.15 0.00 0.00 0.00 175.76 176.11 3k2x s LYS 134 N -0.85 0.34 0.87 0.00 -0.14 0.00 -4.93 119.74 115.04 3k2x s LYS 134 Ca -0.04 -0.39 -0.09 0.00 -1.36 0.00 0.00 55.97 54.09 3k2x s LYS 134 Cb -0.06 0.14 0.18 0.00 -1.68 0.00 0.00 37.83 36.41 3k2x s LYS 134 CO 0.00 -0.07 1.19 0.95 -0.76 0.00 0.00 175.35 176.66 3k2x s THR 135 N -1.15 2.03 -0.20 2.17 -4.23 -1.25 -1.06 115.64 111.94 3k2x s THR 135 Ca -0.12 -0.30 0.15 0.00 -1.18 0.00 0.00 61.69 60.24 3k2x s THR 135 Cb -0.07 -2.73 0.58 0.00 1.34 0.00 0.00 72.50 71.61 3k2x s THR 135 CO 0.00 0.00 1.49 -3.20 -0.54 0.00 0.00 174.62 172.37 3k2x n ASN 136 N -3.37 4.06 -3.99 3.99 5.15 -1.26 -4.78 115.26 115.06 3k2x n ASN 136 Ca 0.16 -3.08 -0.32 0.00 -0.60 0.00 0.00 54.58 50.74 3k2x n ASN 136 Cb 0.60 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 39.28 3k2x n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3k2x n GLU 137 N -0.41 -4.96 -1.55 1.20 -0.58 -1.26 -1.64 120.64 111.43 3k2x n GLU 137 Ca 0.24 0.54 -0.18 0.00 -0.42 0.00 0.00 57.16 57.35 3k2x n GLU 137 Cb 0.97 -5.40 -0.07 0.00 -0.57 0.00 0.00 31.44 26.37 3k2x n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3k2x n LYS 138 N -4.61 -1.24 -4.13 3.49 4.76 -1.26 -4.99 118.16 110.17 3k2x n LYS 138 Ca 0.06 1.12 -0.36 0.00 -2.87 0.00 0.00 58.31 56.25 3k2x n LYS 138 Cb 0.51 -5.38 -0.08 0.00 -1.84 0.00 0.00 35.03 28.25 3k2x n LYS 138 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3k2x s LEU 139 N -4.09 3.96 0.00 -0.35 1.43 -0.65 -4.60 118.68 114.38 3k2x s LEU 139 Ca 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3k2x s LEU 139 Cb 0.00 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3k2x s LEU 139 CO 0.00 0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.57 3k2x n GLY 140 N 2.13 -1.21 0.26 -3.19 0.00 -1.26 -0.83 105.19 101.09 3k2x n GLY 140 Ca -0.19 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.68 3k2x n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3k2x h TYR 141 N 0.00 0.50 -0.34 1.61 -0.00 -1.97 -1.61 116.97 115.16 3k2x h TYR 141 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 58.73 58.66 3k2x h TYR 141 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 36.73 36.57 3k2x h TYR 141 CO 0.00 0.54 0.20 -0.07 -0.00 0.00 0.00 178.16 178.83 3k2x h LEU 142 N 0.45 0.41 -1.53 0.10 3.38 -1.81 0.14 115.31 116.45 3k2x h LEU 142 Ca 0.09 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k2x h LEU 142 Cb 0.41 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3k2x h LEU 142 CO 0.02 0.35 0.25 1.23 0.09 0.00 0.00 178.44 180.38 3k2x h GLY 143 N 0.43 0.61 0.13 0.83 0.00 -0.46 -1.40 103.07 103.21 3k2x h GLY 143 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3k2x h GLY 143 CO -0.02 0.24 0.00 0.54 0.00 0.00 0.00 176.54 177.29 3k2x n ARG 144 N -4.45 1.38 -2.51 4.80 1.74 -0.65 -4.44 116.66 112.54 3k2x n ARG 144 Ca 0.03 -0.56 -0.12 0.00 -0.77 0.00 0.00 57.85 56.43 3k2x n ARG 144 Cb 0.08 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3k2x n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k2x n GLY 145 N 1.09 -0.03 0.14 -0.13 0.00 -0.53 -4.93 105.19 100.80 3k2x n GLY 145 Ca 0.21 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3k2x n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k2x h GLU 146 N -0.48 0.00 -3.00 1.61 5.08 -1.19 -3.44 114.58 113.15 3k2x h GLU 146 Ca -0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3k2x h GLU 146 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3k2x h GLU 146 CO 0.32 0.00 0.27 0.20 -1.00 0.00 0.00 179.01 178.80 3k2x s GLY 147 N -4.23 0.37 -0.02 -3.84 0.00 -1.24 -1.30 107.32 97.05 3k2x s GLY 147 Ca 0.03 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.02 3k2x s GLY 147 CO 0.74 -0.31 -0.07 -0.42 0.00 0.00 0.00 173.10 173.04 3k2x s ILE 148 N -2.30 0.66 0.09 0.90 1.01 -0.55 -4.58 121.20 116.42 3k2x s ILE 148 Ca 0.15 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.56 3k2x s ILE 148 Cb -0.05 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 3k2x s ILE 148 CO 0.11 0.21 0.00 -0.70 0.00 0.00 0.00 174.94 174.57 3k2x s GLU 149 N 0.22 2.55 0.04 2.79 2.12 -0.78 -2.11 118.70 123.54 3k2x s GLU 149 Ca -0.03 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.50 3k2x s GLU 149 Cb -0.08 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 3k2x s GLU 149 CO 0.00 0.54 -0.13 0.00 -0.54 0.00 0.00 175.26 175.14 3k2x s ALA 150 N -1.32 1.03 0.01 6.30 0.00 -0.20 -0.21 121.76 127.37 3k2x s ALA 150 Ca 0.26 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.48 3k2x s ALA 150 Cb -0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3k2x s ALA 150 CO 0.18 0.17 -0.19 -0.65 0.00 0.00 0.00 175.76 175.27 3k2x s GLN 151 N -1.21 1.43 0.02 0.00 -0.21 -0.21 -1.11 119.66 118.37 3k2x s GLN 151 Ca -0.01 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.58 3k2x s GLN 151 Cb -0.08 -1.45 -0.02 0.00 1.00 0.00 0.00 33.01 32.46 3k2x s GLN 151 CO 0.01 0.38 -0.01 0.00 -2.12 0.00 0.00 175.29 173.55 3k2x s ALA 152 N -0.62 0.14 -0.01 6.09 0.00 0.08 -0.88 121.76 126.56 3k2x s ALA 152 Ca 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3k2x s ALA 152 Cb -0.08 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3k2x s ALA 152 CO 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 175.76 175.45 3k2x s ALA 153 N -1.93 0.89 -0.00 0.00 0.00 0.14 -0.60 121.76 120.25 3k2x s ALA 153 Ca -0.11 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3k2x s ALA 153 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3k2x s ALA 153 CO -0.03 0.22 -0.09 0.00 0.00 0.00 0.00 175.76 175.87 3k2x s ALA 154 N -0.25 0.71 -0.12 0.00 0.00 -0.53 -0.98 121.76 120.58 3k2x s ALA 154 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 3k2x s ALA 154 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3k2x s ALA 154 CO -0.00 0.17 -0.11 -1.17 0.00 0.00 0.00 175.76 174.64 3k2x s LEU 155 N -0.25 2.83 0.33 0.00 2.96 -0.54 -1.05 118.68 122.95 3k2x s LEU 155 Ca 0.03 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 3k2x s LEU 155 Cb -0.04 -1.64 -0.07 0.00 0.50 0.00 0.00 46.19 44.95 3k2x s LEU 155 CO -0.00 0.20 0.03 0.68 -1.32 0.00 0.00 176.35 175.94 3k2x s VAL 156 N 0.16 1.38 -0.01 1.68 -7.23 -0.57 -0.13 120.40 115.68 3k2x s VAL 156 Ca -0.06 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3k2x s VAL 156 Cb -0.15 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.04 3k2x s VAL 156 CO 0.04 -0.05 0.01 0.54 -0.31 0.00 0.00 175.10 175.33 3k2x s VAL 157 N -3.17 -0.02 -0.36 1.32 0.11 0.14 -1.40 120.40 117.02 3k2x s VAL 157 Ca 0.35 0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 59.27 3k2x s VAL 157 Cb 0.08 -0.04 0.01 0.00 -1.53 0.00 0.00 36.38 34.90 3k2x s VAL 157 CO 0.15 0.03 0.70 -0.60 -3.33 0.00 0.00 175.10 172.05 3k2x s ARG 158 N 0.40 3.69 0.00 1.54 3.52 -0.46 -0.40 118.95 127.23 3k2x s ARG 158 Ca -0.03 0.14 0.25 0.00 -0.13 0.00 0.00 55.73 55.96 3k2x s ARG 158 Cb -0.05 -3.82 0.44 0.00 -1.56 0.00 0.00 34.95 29.97 3k2x s ARG 158 CO -0.01 -0.80 1.40 -0.85 -0.81 0.00 0.00 175.30 174.23