#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks6 s ARG 3 N 0.00 4.00 -0.13 -2.82 0.52 -0.34 -4.93 118.95 115.24 3ks6 s ARG 3 Ca 0.00 0.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 3ks6 s ARG 3 Cb 0.00 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 3ks6 s ARG 3 CO 0.00 -0.05 -0.14 0.42 0.02 0.00 0.00 175.30 175.55 3ks6 s ILE 4 N -2.29 2.88 -0.18 1.52 1.01 -1.26 -1.98 121.20 120.90 3ks6 s ILE 4 Ca 0.57 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3ks6 s ILE 4 Cb -0.10 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.17 3ks6 s ILE 4 CO 0.23 0.52 -0.16 0.00 0.00 0.00 0.00 174.94 175.53 3ks6 s ALA 5 N 0.47 2.46 -0.35 9.38 0.00 -0.18 -2.01 121.76 131.53 3ks6 s ALA 5 Ca -0.10 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 3ks6 s ALA 5 Cb -0.16 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.69 3ks6 s ALA 5 CO 0.05 -0.24 1.35 0.45 0.00 0.00 0.00 175.76 177.36 3ks6 s SER 6 N 1.15 6.53 -0.31 0.00 0.15 0.01 -1.50 113.70 119.72 3ks6 s SER 6 Ca 0.01 1.04 -0.29 0.00 0.70 0.00 0.00 55.95 57.42 3ks6 s SER 6 Cb -0.14 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3ks6 s SER 6 CO -0.06 -1.23 1.45 -2.28 1.20 0.00 0.00 173.24 172.31 3ks6 s HIS 7 N 4.82 2.40 -1.53 3.44 5.04 0.70 -0.37 115.29 129.79 3ks6 s HIS 7 Ca 0.58 0.71 -0.04 0.00 -1.54 0.00 0.00 55.06 54.77 3ks6 s HIS 7 Cb -0.15 -4.05 0.01 0.00 0.04 0.00 0.00 32.58 28.43 3ks6 s HIS 7 CO 0.27 -2.19 0.46 0.54 -2.34 0.00 0.00 174.74 171.48 3ks6 n ARG 8 N 7.69 -4.03 -0.83 2.88 1.74 0.29 -0.80 116.66 123.59 3ks6 n ARG 8 Ca 0.17 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 3ks6 n ARG 8 Cb 0.47 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.26 3ks6 n ARG 8 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ks6 n GLY 9 N -1.35 1.20 0.00 -0.13 0.00 -1.19 -1.78 105.19 101.94 3ks6 n GLY 9 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3ks6 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks6 n GLY 10 N -2.00 0.81 0.25 -0.02 0.00 0.02 -4.21 105.19 100.04 3ks6 n GLY 10 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.27 3ks6 n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ks6 h THR 11 N 0.00 0.46 0.00 2.61 2.02 -1.49 -0.99 112.91 115.51 3ks6 h THR 11 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3ks6 h THR 11 Cb 0.00 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3ks6 h THR 11 CO 0.00 0.02 0.00 0.18 0.37 0.00 0.00 175.52 176.09 3ks6 n LEU 12 N -5.29 0.00 -0.10 2.58 4.77 -0.73 -1.27 117.00 116.96 3ks6 n LEU 12 Ca 0.10 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 3ks6 n LEU 12 Cb 0.39 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 3ks6 n LEU 12 CO 0.09 -0.01 -1.15 -0.62 -1.33 0.00 0.00 177.39 174.37 3ks6 n GLU 13 N -1.24 0.50 0.00 3.23 1.02 -0.56 -4.85 120.64 118.75 3ks6 n GLU 13 Ca 0.15 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3ks6 n GLU 13 Cb 0.21 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3ks6 n GLU 13 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3ks6 n PHE 14 N -3.09 0.00 0.00 -0.32 3.72 -0.48 -5.07 117.46 112.21 3ks6 n PHE 14 Ca -0.35 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 3ks6 n PHE 14 Cb 0.88 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 3ks6 n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ks6 n GLY 15 N -0.16 -0.64 3.63 1.37 0.00 -0.39 -4.45 105.19 104.55 3ks6 n GLY 15 Ca 0.00 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 3ks6 n GLY 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ks6 s ASP 16 N -2.84 6.79 -1.42 1.61 -1.08 -1.26 -4.01 116.67 114.46 3ks6 s ASP 16 Ca 0.00 0.93 -0.10 0.00 -0.52 0.00 0.00 52.55 52.86 3ks6 s ASP 16 Cb 0.00 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.96 3ks6 s ASP 16 CO 0.00 -1.03 1.09 -1.20 0.52 0.00 0.00 175.17 174.55 3ks6 n SER 17 N 7.32 -5.46 -4.87 -0.34 7.64 -0.73 -4.97 113.62 112.20 3ks6 n SER 17 Ca 0.13 -0.65 -0.33 0.00 1.01 0.00 0.00 58.87 59.03 3ks6 n SER 17 Cb 0.47 -4.54 -0.05 0.00 -1.01 0.00 0.00 64.21 59.08 3ks6 n SER 17 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ks6 s THR 18 N -3.32 4.96 0.32 0.44 -4.23 -1.26 -4.91 115.64 107.64 3ks6 s THR 18 Ca 0.58 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 61.65 3ks6 s THR 18 Cb -0.27 -3.64 0.31 0.00 1.34 0.00 0.00 72.50 70.24 3ks6 s THR 18 CO 0.77 0.01 1.69 -0.65 -0.54 0.00 0.00 174.62 175.91 3ks6 h PRO 19 N 2.81 0.40 0.06 3.99 0.11 -1.93 -1.48 132.00 135.96 3ks6 h PRO 19 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ks6 h PRO 19 Cb 1.17 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ks6 h PRO 19 CO 0.69 0.26 -0.04 1.25 -0.21 0.00 0.00 178.00 179.96 3ks6 h HIS 20 N 0.41 -0.09 -0.67 0.65 -0.00 -1.93 -0.55 115.15 112.96 3ks6 h HIS 20 Ca 0.65 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 61.00 3ks6 h HIS 20 Cb 1.35 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.76 3ks6 h HIS 20 CO -0.06 -0.06 0.32 0.78 -0.00 0.00 0.00 177.93 178.91 3ks6 h GLY 21 N -0.09 1.04 1.39 5.26 0.00 -1.58 0.44 103.07 109.52 3ks6 h GLY 21 Ca -0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 3ks6 h GLY 21 CO 0.01 0.49 -0.16 0.74 0.00 0.00 0.00 176.54 177.61 3ks6 h PHE 22 N 0.93 0.80 0.10 5.60 0.04 -1.23 1.00 116.94 124.18 3ks6 h PHE 22 Ca 0.23 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 3ks6 h PHE 22 Cb 0.12 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.07 3ks6 h PHE 22 CO 0.00 0.83 -0.05 1.15 -0.60 0.00 0.00 178.31 179.65 3ks6 h THR 23 N 0.64 1.09 -0.34 -1.55 2.02 -0.76 -2.29 112.91 111.72 3ks6 h THR 23 Ca 0.10 -0.83 0.06 0.00 0.77 0.00 0.00 66.41 66.51 3ks6 h THR 23 Cb 0.64 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.61 3ks6 h THR 23 CO 0.04 0.20 -0.00 0.00 0.37 0.00 0.00 175.52 176.13 3ks6 h ALA 24 N 0.30 0.30 -0.68 6.16 0.00 -0.87 -2.40 119.26 122.08 3ks6 h ALA 24 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ks6 h ALA 24 Cb 0.43 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3ks6 h ALA 24 CO 0.02 -0.40 0.45 1.15 0.00 0.00 0.00 179.25 180.47 3ks6 h THR 25 N 0.09 1.17 0.00 0.00 2.02 -0.80 -2.15 112.91 113.24 3ks6 h THR 25 Ca 0.16 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3ks6 h THR 25 Cb 0.22 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3ks6 h THR 25 CO -0.28 0.17 -0.02 0.00 0.37 0.00 0.00 175.52 175.76 3ks6 h ALA 26 N 1.58 1.08 -1.45 6.16 0.00 -0.87 -3.45 119.26 122.31 3ks6 h ALA 26 Ca 0.25 -0.01 -0.77 0.00 0.00 0.00 0.00 54.91 54.37 3ks6 h ALA 26 Cb -0.10 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.39 3ks6 h ALA 26 CO -0.05 0.02 0.75 0.00 0.00 0.00 0.00 179.25 179.96 3ks6 n ALA 27 N -2.13 5.81 -3.09 0.00 0.00 -0.81 -4.58 120.51 115.70 3ks6 n ALA 27 Ca -0.02 -4.63 -0.25 0.00 0.00 0.00 0.00 53.44 48.54 3ks6 n ALA 27 Cb 0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 3ks6 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ks6 n ALA 29 N -0.04 3.81 -2.38 0.00 0.00 -1.26 -5.13 120.51 115.52 3ks6 n ALA 29 Ca 0.44 -4.33 -0.22 0.00 0.00 0.00 0.00 53.44 49.33 3ks6 n ALA 29 Cb 0.28 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 3ks6 n ALA 29 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3ks6 s LEU 30 N -2.92 1.83 -0.15 0.00 0.05 -1.26 -4.96 118.68 111.27 3ks6 s LEU 30 Ca 0.45 -1.73 0.14 0.00 0.05 0.00 0.00 54.13 53.04 3ks6 s LEU 30 Cb 0.27 0.29 -0.19 0.00 -2.05 0.00 0.00 46.19 44.51 3ks6 s LEU 30 CO -0.10 -1.01 0.06 -0.62 -0.55 0.00 0.00 176.35 174.13 3ks6 n GLU 31 N -0.74 1.44 -3.97 1.48 4.71 -1.08 -4.65 120.64 117.83 3ks6 n GLU 31 Ca 0.02 -0.01 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 3ks6 n GLU 31 Cb 0.63 -1.40 -0.09 0.00 -1.01 0.00 0.00 31.44 29.57 3ks6 n GLU 31 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3ks6 s GLU 32 N -2.40 0.61 -0.10 3.49 2.02 -0.85 -0.95 118.70 120.52 3ks6 s GLU 32 Ca -0.08 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.01 3ks6 s GLU 32 Cb 0.05 0.23 -0.01 0.00 0.10 0.00 0.00 34.13 34.50 3ks6 s GLU 32 CO 0.64 -0.15 -0.18 0.54 0.02 0.00 0.00 175.26 176.13 3ks6 s VAL 33 N -3.13 2.63 -0.09 2.63 0.11 -0.18 -0.81 120.40 121.56 3ks6 s VAL 33 Ca -0.00 -0.83 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 3ks6 s VAL 33 Cb 0.02 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 3ks6 s VAL 33 CO -0.07 0.55 0.13 -0.70 -3.33 0.00 0.00 175.10 171.68 3ks6 s GLU 34 N 0.18 3.36 0.18 1.54 -6.30 0.50 -0.72 118.70 117.45 3ks6 s GLU 34 Ca -0.10 -0.22 -0.20 0.00 -2.50 0.00 0.00 54.97 51.94 3ks6 s GLU 34 Cb -0.16 -3.10 0.05 0.00 0.00 0.00 0.00 34.13 30.91 3ks6 s GLU 34 CO 0.06 0.74 0.57 -0.59 0.02 0.00 0.00 175.26 176.06 3ks6 s PHE 35 N -1.09 -0.33 0.21 5.30 -0.71 -0.86 -0.55 117.98 119.95 3ks6 s PHE 35 Ca 0.18 0.03 0.11 0.00 -1.04 0.00 0.00 56.93 56.20 3ks6 s PHE 35 Cb -0.12 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 3ks6 s PHE 35 CO 0.08 -0.90 -0.17 -0.51 -1.34 0.00 0.00 175.22 172.37 3ks6 s ASP 36 N -2.82 3.79 0.07 1.98 1.01 -1.26 -0.92 116.67 118.51 3ks6 s ASP 36 Ca 0.05 -0.79 0.06 0.00 0.71 0.00 0.00 52.55 52.58 3ks6 s ASP 36 Cb -0.01 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.45 3ks6 s ASP 36 CO -0.07 0.09 -0.17 -0.76 0.21 0.00 0.00 175.17 174.47 3ks6 s LEU 37 N -2.93 2.24 0.01 1.23 1.43 -1.22 -1.81 118.68 117.63 3ks6 s LEU 37 Ca 0.24 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3ks6 s LEU 37 Cb -0.08 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 3ks6 s LEU 37 CO 0.13 0.02 0.00 -1.00 0.23 0.00 0.00 176.35 175.74 3ks6 s HIS 38 N -1.05 0.17 0.32 0.29 3.76 -0.46 -4.48 115.29 113.83 3ks6 s HIS 38 Ca 0.03 -0.34 -0.13 0.00 -0.15 0.00 0.00 55.06 54.47 3ks6 s HIS 38 Cb -0.09 -0.13 -0.08 0.00 1.11 0.00 0.00 32.58 33.39 3ks6 s HIS 38 CO 0.02 -0.16 0.70 -1.25 -0.85 0.00 0.00 174.74 173.21 3ks6 s PRO 39 N -1.08 3.92 0.67 8.40 0.04 -1.26 -0.74 135.00 144.94 3ks6 s PRO 39 Ca -0.12 0.54 -0.03 0.00 0.04 0.00 0.00 61.00 61.43 3ks6 s PRO 39 Cb -0.07 -2.47 0.08 0.00 0.04 0.00 0.00 34.50 32.07 3ks6 s PRO 39 CO -0.00 0.16 0.94 0.95 0.04 0.00 0.00 177.00 179.09 3ks6 s THR 40 N -2.01 2.36 0.40 1.26 -4.23 -0.77 -2.67 115.64 109.98 3ks6 s THR 40 Ca 0.52 -0.48 0.15 0.00 -1.18 0.00 0.00 61.69 60.70 3ks6 s THR 40 Cb -0.10 -2.88 0.15 0.00 1.34 0.00 0.00 72.50 71.00 3ks6 s THR 40 CO 0.21 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.20 3ks6 h ALA 41 N -0.40 1.49 -0.71 3.99 0.00 -1.59 -3.09 119.26 118.94 3ks6 h ALA 41 Ca -0.41 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 53.99 3ks6 h ALA 41 Cb 1.29 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 3ks6 h ALA 41 CO 0.51 0.34 0.29 -0.40 0.00 0.00 0.00 179.25 179.98 3ks6 n ASP 42 N -4.12 4.27 0.00 0.00 5.75 -1.26 -4.96 116.55 116.23 3ks6 n ASP 42 Ca -0.02 -3.35 0.00 0.00 -0.01 0.00 0.00 54.79 51.41 3ks6 n ASP 42 Cb 0.33 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 3ks6 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ks6 n GLY 43 N -0.50 0.48 3.96 6.12 0.00 -1.17 -4.98 105.19 109.10 3ks6 n GLY 43 Ca 0.42 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 3ks6 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks6 s ALA 44 N -2.00 3.62 -0.14 4.61 0.00 -1.26 -4.90 121.76 121.70 3ks6 s ALA 44 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3ks6 s ALA 44 Cb 0.00 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.87 3ks6 s ALA 44 CO 0.00 -0.93 -0.13 0.42 0.00 0.00 0.00 175.76 175.12 3ks6 s ILE 45 N -2.93 1.44 -0.02 0.00 1.01 -1.26 -1.85 121.20 117.60 3ks6 s ILE 45 Ca 0.58 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.70 3ks6 s ILE 45 Cb -0.10 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3ks6 s ILE 45 CO 0.41 0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 175.03 3ks6 s VAL 46 N 1.50 3.69 -0.38 2.92 1.01 0.08 -0.82 120.40 128.40 3ks6 s VAL 46 Ca 0.04 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 3ks6 s VAL 46 Cb -0.13 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.68 3ks6 s VAL 46 CO -0.10 0.45 0.55 -0.69 0.00 0.00 0.00 175.10 175.31 3ks6 s VAL 47 N -0.95 4.97 -0.17 2.92 1.01 -1.26 -1.35 120.40 125.55 3ks6 s VAL 47 Ca 0.16 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 3ks6 s VAL 47 Cb -0.11 -4.04 0.11 0.00 0.00 0.00 0.00 36.38 32.33 3ks6 s VAL 47 CO 0.06 -0.34 0.91 -2.28 0.00 0.00 0.00 175.10 173.44 3ks6 s HIS 48 N 2.50 -0.50 -0.01 5.22 5.04 -0.75 -4.92 115.29 121.87 3ks6 s HIS 48 Ca 0.19 0.99 -0.00 0.00 -1.54 0.00 0.00 55.06 54.71 3ks6 s HIS 48 Cb -0.15 0.40 -0.00 0.00 0.04 0.00 0.00 32.58 32.87 3ks6 s HIS 48 CO 0.15 -0.38 0.08 1.25 -2.34 0.00 0.00 174.74 173.50 3ks6 h HIS 49 N 3.29 -0.01 -4.19 3.88 2.76 -1.93 -3.35 115.15 115.59 3ks6 h HIS 49 Ca -0.24 -0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.42 3ks6 h HIS 49 Cb 1.16 0.00 0.11 0.00 1.55 0.00 0.00 27.41 30.23 3ks6 h HIS 49 CO 0.33 -0.01 0.38 -0.51 -1.30 0.00 0.00 177.93 176.82 3ks6 s ASP 50 N -3.20 4.97 0.00 3.26 1.01 -1.26 -4.89 116.67 116.56 3ks6 s ASP 50 Ca -0.00 2.06 0.19 0.00 0.71 0.00 0.00 52.55 55.51 3ks6 s ASP 50 Cb 0.00 -2.56 0.98 0.00 1.01 0.00 0.00 42.92 42.35 3ks6 s ASP 50 CO 0.01 -1.73 1.59 -0.81 0.21 0.00 0.00 175.17 174.44 3ks6 n PRO 51 N -2.44 0.29 -4.37 8.23 -0.04 -1.26 -4.72 135.00 130.69 3ks6 n PRO 51 Ca 0.11 0.10 -0.24 0.00 -0.04 0.00 0.00 63.50 63.43 3ks6 n PRO 51 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 3ks6 n PRO 51 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ks6 s THR 52 N -2.55 2.06 -1.67 0.52 -4.23 -1.26 -1.16 115.64 107.35 3ks6 s THR 52 Ca 0.19 -1.96 0.30 0.00 -1.18 0.00 0.00 61.69 59.04 3ks6 s THR 52 Cb 0.13 -1.96 0.56 0.00 1.34 0.00 0.00 72.50 72.56 3ks6 s THR 52 CO 0.29 -0.21 1.98 0.18 -0.54 0.00 0.00 174.62 176.32 3ks6 n LEU 53 N 0.31 0.28 -0.16 4.79 4.77 -0.37 -4.54 117.00 122.07 3ks6 n LEU 53 Ca -0.13 0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.86 3ks6 n LEU 53 Cb 0.56 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3ks6 n LEU 53 CO 0.29 0.05 1.06 0.44 -1.33 0.00 0.00 177.39 177.90 3ks6 h ASP 54 N 0.36 0.51 -0.20 -1.43 5.19 -1.87 -2.62 116.42 116.35 3ks6 h ASP 54 Ca 0.00 -0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 3ks6 h ASP 54 Cb 0.28 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 3ks6 h ASP 54 CO 0.00 0.36 -0.43 0.00 -3.12 0.00 0.00 179.24 176.06 3ks6 h ALA 55 N 1.20 0.68 -0.11 3.45 0.00 -1.99 -3.33 119.26 119.15 3ks6 h ALA 55 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ks6 h ALA 55 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ks6 h ALA 55 CO -0.07 0.67 0.00 0.25 0.00 0.00 0.00 179.25 180.10 3ks6 n THR 56 N -4.03 0.73 -4.33 0.00 -2.24 -1.23 -4.99 114.28 98.20 3ks6 n THR 56 Ca -0.02 -0.87 -0.19 0.00 -2.27 0.00 0.00 64.05 60.70 3ks6 n THR 56 Cb 0.55 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 3ks6 n THR 56 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ks6 n THR 57 N 0.04 0.00 -0.33 4.28 -2.24 -0.99 -0.00 114.28 115.03 3ks6 n THR 57 Ca 0.05 -2.07 -0.11 0.00 -2.27 0.00 0.00 64.05 59.64 3ks6 n THR 57 Cb 0.27 0.90 0.05 0.00 -2.10 0.00 0.00 70.33 69.45 3ks6 n THR 57 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ks6 n ASP 58 N -1.75 4.81 -3.55 3.42 5.75 -1.02 -4.81 116.55 119.40 3ks6 n ASP 58 Ca 0.01 -2.76 -0.15 0.00 -0.01 0.00 0.00 54.79 51.88 3ks6 n ASP 58 Cb 0.52 -0.86 -0.06 0.00 -1.03 0.00 0.00 41.12 39.69 3ks6 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3ks6 s THR 60 N -1.49 0.00 0.00 2.12 -1.32 -1.26 -5.01 115.64 108.68 3ks6 s THR 60 Ca 0.22 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 3ks6 s THR 60 Cb 0.18 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 3ks6 s THR 60 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3ks6 n GLY 61 N 1.06 2.90 3.71 6.08 0.00 -1.26 -4.84 105.19 112.84 3ks6 n GLY 61 Ca -0.16 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 3ks6 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks6 s ALA 62 N -2.28 3.19 0.25 4.61 0.00 -1.26 -1.24 121.76 125.03 3ks6 s ALA 62 Ca 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 3ks6 s ALA 62 Cb 0.00 -3.30 0.33 0.00 0.00 0.00 0.00 23.12 20.15 3ks6 s ALA 62 CO 0.00 -0.19 1.88 0.82 0.00 0.00 0.00 175.76 178.27 3ks6 h ILE 63 N 4.69 1.12 0.00 0.00 2.04 -1.45 -2.17 117.51 121.74 3ks6 h ILE 63 Ca -0.41 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3ks6 h ILE 63 Cb 1.22 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3ks6 h ILE 63 CO 0.75 0.21 0.00 1.62 0.00 0.00 0.00 178.15 180.72 3ks6 h VAL 64 N 1.14 0.00 -0.58 1.67 3.04 -1.73 -3.33 116.25 116.46 3ks6 h VAL 64 Ca 0.39 -0.22 -0.34 0.00 -1.01 0.00 0.00 66.70 65.51 3ks6 h VAL 64 Cb 0.07 0.98 -0.18 0.00 -2.01 0.00 0.00 31.29 30.16 3ks6 h VAL 64 CO -0.14 0.00 0.44 0.47 -1.01 0.00 0.00 177.57 177.33 3ks6 n ASP 65 N -2.52 4.84 -4.71 3.17 8.00 -0.82 -2.48 116.55 122.02 3ks6 n ASP 65 Ca 0.00 -3.06 -0.23 0.00 0.71 0.00 0.00 54.79 52.22 3ks6 n ASP 65 Cb 0.19 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.38 3ks6 n ASP 65 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ks6 s THR 67 N -2.30 3.34 0.25 -3.53 -4.23 -1.26 -4.78 115.64 103.12 3ks6 s THR 67 Ca 0.35 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.07 3ks6 s THR 67 Cb 0.29 -2.98 0.22 0.00 1.34 0.00 0.00 72.50 71.37 3ks6 s THR 67 CO 0.03 -0.27 1.88 0.25 -0.54 0.00 0.00 174.62 175.97 3ks6 h LEU 68 N 1.65 1.09 -0.45 4.79 5.85 -1.93 -2.30 115.31 124.01 3ks6 h LEU 68 Ca -0.44 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.24 3ks6 h LEU 68 Cb 1.25 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 3ks6 h LEU 68 CO 0.62 0.86 0.18 0.00 -0.34 0.00 0.00 178.44 179.76 3ks6 h ALA 69 N 1.32 0.55 -0.37 1.25 0.00 -2.02 0.31 119.26 120.30 3ks6 h ALA 69 Ca 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ks6 h ALA 69 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ks6 h ALA 69 CO -0.05 -0.20 0.23 -0.22 0.00 0.00 0.00 179.25 179.01 3ks6 h LYS 70 N 0.37 0.51 -0.86 0.00 1.63 -1.94 -2.38 116.57 113.90 3ks6 h LYS 70 Ca 0.21 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 60.01 3ks6 h LYS 70 Cb 0.18 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.64 3ks6 h LYS 70 CO -0.19 0.38 0.54 0.28 -3.45 0.00 0.00 179.45 177.01 3ks6 h VAL 71 N 0.49 1.08 0.00 2.00 2.07 -0.94 -1.63 116.25 119.32 3ks6 h VAL 71 Ca 0.13 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3ks6 h VAL 71 Cb 0.00 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 3ks6 h VAL 71 CO -0.03 0.19 0.00 0.11 0.02 0.00 0.00 177.57 177.86 3ks6 h LYS 72 N 1.02 0.00 0.00 1.57 1.79 -0.44 -1.24 116.57 119.27 3ks6 h LYS 72 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 3ks6 h LYS 72 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3ks6 h LYS 72 CO -0.15 0.00 -0.15 1.79 -1.08 0.00 0.00 179.45 179.87 3ks6 h THR 73 N 0.00 0.00 -3.88 -0.16 1.35 -0.97 -3.46 112.91 105.79 3ks6 h THR 73 Ca 0.00 -0.68 -0.51 0.00 -0.55 0.00 0.00 66.41 64.67 3ks6 h THR 73 Cb 0.17 1.59 0.05 0.00 -1.73 0.00 0.00 68.15 68.23 3ks6 h THR 73 CO 0.00 0.00 0.56 0.00 -0.25 0.00 0.00 175.52 175.83 3ks6 s ALA 74 N -3.16 3.38 -0.14 6.62 0.00 -0.47 -5.03 121.76 122.95 3ks6 s ALA 74 Ca 0.08 1.09 -0.03 0.00 0.00 0.00 0.00 51.96 53.11 3ks6 s ALA 74 Cb 0.10 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3ks6 s ALA 74 CO 0.65 -0.50 -0.05 0.99 0.00 0.00 0.00 175.76 176.85 3ks6 s THR 75 N -1.22 3.76 0.13 0.00 2.01 -1.26 -4.26 115.64 114.80 3ks6 s THR 75 Ca 0.50 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 3ks6 s THR 75 Cb -0.35 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.47 3ks6 s THR 75 CO 0.46 0.51 0.96 -0.63 -0.69 0.00 0.00 174.62 175.22 3ks6 s ILE 76 N 0.25 4.44 0.22 1.82 1.01 -0.47 -2.45 121.20 126.02 3ks6 s ILE 76 Ca -0.04 2.07 -0.31 0.00 0.00 0.00 0.00 60.65 62.37 3ks6 s ILE 76 Cb -0.14 -4.32 -0.11 0.00 0.01 0.00 0.00 42.46 37.89 3ks6 s ILE 76 CO 0.03 0.35 1.63 -0.13 0.00 0.00 0.00 174.94 176.82 3ks6 s ARG 77 N -0.18 4.16 -0.26 2.79 0.52 1.00 -1.73 118.95 125.24 3ks6 s ARG 77 Ca 0.46 2.51 0.00 0.00 -0.52 0.00 0.00 55.73 58.18 3ks6 s ARG 77 Cb -0.24 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.15 3ks6 s ARG 77 CO 0.30 -0.66 0.00 0.66 0.02 0.00 0.00 175.30 175.62 3ks6 n TYR 78 N 3.47 0.00 -0.80 -0.53 4.01 -1.26 -4.52 117.16 117.53 3ks6 n TYR 78 Ca 0.13 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.95 3ks6 n TYR 78 Cb 0.37 -1.02 0.31 0.00 -0.31 0.00 0.00 39.34 38.69 3ks6 n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ks6 n GLY 79 N -1.68 3.35 4.22 2.72 0.00 -0.71 -4.62 105.19 108.46 3ks6 n GLY 79 Ca -0.02 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 3ks6 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks6 n ALA 80 N 0.26 -1.86 -0.63 4.61 0.00 -1.26 -1.02 120.51 120.60 3ks6 n ALA 80 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ks6 n ALA 80 Cb 0.92 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3ks6 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ks6 n GLY 81 N -2.13 1.02 3.75 0.00 0.00 -1.26 -5.04 105.19 101.52 3ks6 n GLY 81 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3ks6 n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ks6 s SER 82 N -3.05 4.42 0.30 1.61 0.01 -0.19 -4.83 113.70 111.96 3ks6 s SER 82 Ca 0.00 2.04 0.10 0.00 1.31 0.00 0.00 55.95 59.40 3ks6 s SER 82 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 3ks6 s SER 82 CO 0.00 -2.10 -0.05 -1.00 0.41 0.00 0.00 173.24 170.50 3ks6 s HIS 83 N -2.50 2.52 0.00 2.43 0.09 -1.26 -1.36 115.29 115.21 3ks6 s HIS 83 Ca 0.66 -0.34 0.00 0.00 -0.00 0.00 0.00 55.06 55.39 3ks6 s HIS 83 Cb -0.21 -1.25 0.00 0.00 -0.00 0.00 0.00 32.58 31.12 3ks6 s HIS 83 CO 0.49 0.60 0.00 -2.30 -0.00 0.00 0.00 174.74 173.53 3ks6 n PRO 84 N -0.84 0.23 -4.41 8.40 -0.02 -1.26 -4.67 135.00 132.42 3ks6 n PRO 84 Ca -0.05 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.22 3ks6 n PRO 84 Cb 0.61 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.98 3ks6 n PRO 84 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ks6 s THR 86 N -0.29 1.79 0.25 3.45 -4.23 -1.26 -4.82 115.64 110.53 3ks6 s THR 86 Ca 0.00 -2.19 -0.06 0.00 -1.18 0.00 0.00 61.69 58.27 3ks6 s THR 86 Cb 0.00 -2.32 0.24 0.00 1.34 0.00 0.00 72.50 71.76 3ks6 s THR 86 CO 0.00 -0.40 1.90 0.25 -0.54 0.00 0.00 174.62 175.83 3ks6 h LEU 87 N 2.35 1.03 -0.52 4.79 5.85 -1.31 -1.63 115.31 125.88 3ks6 h LEU 87 Ca -0.39 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3ks6 h LEU 87 Cb 1.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3ks6 h LEU 87 CO 0.65 0.72 0.31 -0.08 -0.34 0.00 0.00 178.44 179.70 3ks6 h GLU 88 N 1.21 0.60 -0.87 1.25 4.81 -1.94 -0.63 114.58 119.01 3ks6 h GLU 88 Ca 0.37 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3ks6 h GLU 88 Cb -0.02 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 3ks6 h GLU 88 CO -0.11 0.40 0.43 0.93 -0.73 0.00 0.00 179.01 179.92 3ks6 h GLU 89 N 0.62 1.24 -0.18 1.92 5.08 -1.84 -1.87 114.58 119.55 3ks6 h GLU 89 Ca 0.21 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ks6 h GLU 89 Cb 0.02 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3ks6 h GLU 89 CO -0.09 0.94 0.10 1.25 -1.00 0.00 0.00 179.01 180.21 3ks6 h LEU 90 N 1.23 0.22 -1.04 1.33 5.85 -0.90 -2.76 115.31 119.24 3ks6 h LEU 90 Ca 0.30 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3ks6 h LEU 90 Cb 0.10 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 3ks6 h LEU 90 CO -0.04 0.24 0.63 0.00 -0.34 0.00 0.00 178.44 178.93 3ks6 h ALA 92 N 1.49 1.57 0.00 0.00 0.00 -1.07 -0.49 119.26 120.77 3ks6 h ALA 92 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ks6 h ALA 92 Cb 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ks6 h ALA 92 CO -0.19 0.26 0.00 -0.07 0.00 0.00 0.00 179.25 179.25 3ks6 h LEU 93 N 0.96 0.00 -0.35 0.00 3.38 -1.20 -3.30 115.31 114.80 3ks6 h LEU 93 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3ks6 h LEU 93 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ks6 h LEU 93 CO -0.17 0.00 -0.44 -1.22 0.09 0.00 0.00 178.44 176.70 3ks6 n TYR 94 N -3.08 0.00 0.02 1.13 4.02 -0.24 -4.69 117.16 114.32 3ks6 n TYR 94 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 3ks6 n TYR 94 Cb 0.27 0.00 0.37 0.00 -0.02 0.00 0.00 39.34 39.96 3ks6 n TYR 94 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 3ks6 h VAL 95 N 0.61 1.15 -0.64 -0.72 -1.51 -1.52 -1.23 116.25 112.38 3ks6 h VAL 95 Ca 0.00 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 3ks6 h VAL 95 Cb 0.35 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 3ks6 h VAL 95 CO 0.00 0.19 0.00 0.47 -1.23 0.00 0.00 177.57 177.00 3ks6 n ASP 96 N -4.37 4.97 -4.93 4.19 8.00 -1.26 -4.95 116.55 118.20 3ks6 n ASP 96 Ca 0.02 -2.54 -0.24 0.00 0.71 0.00 0.00 54.79 52.74 3ks6 n ASP 96 Cb 0.16 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 3ks6 n ASP 96 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ks6 s SER 97 N -0.90 6.15 0.00 -2.24 0.15 -0.47 -5.00 113.70 111.40 3ks6 s SER 97 Ca 0.52 0.05 0.27 0.00 0.70 0.00 0.00 55.95 57.50 3ks6 s SER 97 Cb 0.35 -1.78 0.92 0.00 -1.71 0.00 0.00 66.02 63.80 3ks6 s SER 97 CO 0.23 -0.00 1.68 0.00 1.20 0.00 0.00 173.24 176.35 3ks6 n HIS 98 N -0.94 0.00 -2.74 3.44 1.44 -1.26 -4.90 115.22 110.26 3ks6 n HIS 98 Ca -0.08 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.22 3ks6 n HIS 98 Cb 0.56 -0.24 -0.04 0.00 0.12 0.00 0.00 29.99 30.39 3ks6 n HIS 98 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3ks6 s VAL 99 N -2.72 4.71 0.57 0.61 1.01 -1.26 -4.96 120.40 118.35 3ks6 s VAL 99 Ca 0.20 2.02 0.08 0.00 0.00 0.00 0.00 61.98 64.29 3ks6 s VAL 99 Cb 0.19 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 32.34 3ks6 s VAL 99 CO 0.56 0.24 0.67 0.20 0.00 0.00 0.00 175.10 176.77 3ks6 s ASN 100 N 0.51 4.93 -0.11 3.32 0.01 -0.12 -4.88 114.94 118.60 3ks6 s ASN 100 Ca 0.49 -1.00 -0.05 0.00 -0.71 0.00 0.00 52.86 51.59 3ks6 s ASN 100 Cb -0.22 0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.78 3ks6 s ASN 100 CO 0.28 -1.28 0.08 -0.36 -1.51 0.00 0.00 177.10 174.31 3ks6 s PHE 101 N -2.71 3.41 -0.36 2.20 0.08 -0.01 -1.01 117.98 119.58 3ks6 s PHE 101 Ca 0.52 0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.99 3ks6 s PHE 101 Cb -0.04 -1.88 0.10 0.00 -0.57 0.00 0.00 43.02 40.63 3ks6 s PHE 101 CO 0.33 0.61 0.08 0.50 -0.10 0.00 0.00 175.22 176.64 3ks6 s ARG 102 N -0.92 1.43 -0.26 0.44 3.52 0.10 -1.26 118.95 122.00 3ks6 s ARG 102 Ca 0.14 -1.86 -0.13 0.00 -0.13 0.00 0.00 55.73 53.75 3ks6 s ARG 102 Cb -0.12 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3ks6 s ARG 102 CO 0.03 -0.97 0.30 0.00 -0.81 0.00 0.00 175.30 173.85 3ks6 s GLU 104 N 1.79 4.11 -0.49 0.00 2.12 -0.10 -0.74 118.70 125.40 3ks6 s GLU 104 Ca 0.12 -0.22 -0.19 0.00 0.36 0.00 0.00 54.97 55.03 3ks6 s GLU 104 Cb -0.15 -3.38 0.05 0.00 0.26 0.00 0.00 34.13 30.90 3ks6 s GLU 104 CO 0.09 0.33 0.63 0.42 -0.54 0.00 0.00 175.26 176.20 3ks6 s ILE 105 N 0.25 4.86 0.09 -3.70 -1.09 -0.19 -3.37 121.20 118.06 3ks6 s ILE 105 Ca 0.08 -0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 3ks6 s ILE 105 Cb -0.11 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 3ks6 s ILE 105 CO -0.01 -0.75 0.04 -0.54 -1.23 0.00 0.00 174.94 172.45 3ks6 s LYS 106 N 2.68 2.72 0.95 2.79 1.02 -1.26 -4.50 119.74 124.14 3ks6 s LYS 106 Ca 0.17 -0.77 -0.13 0.00 0.02 0.00 0.00 55.97 55.25 3ks6 s LYS 106 Cb -0.18 -2.63 0.21 0.00 -0.52 0.00 0.00 37.83 34.71 3ks6 s LYS 106 CO 0.14 0.55 1.29 -1.25 -0.92 0.00 0.00 175.35 175.15 3ks6 s PRO 107 N -2.40 0.57 0.55 -1.68 0.04 -1.26 -4.63 135.00 126.19 3ks6 s PRO 107 Ca 0.28 -0.69 -0.09 0.00 0.04 0.00 0.00 61.00 60.54 3ks6 s PRO 107 Cb -0.12 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.62 3ks6 s PRO 107 CO 0.20 -2.40 0.73 0.41 0.04 0.00 0.00 177.00 175.99 3ks6 n GLY 108 N -3.67 -1.42 0.38 0.56 0.00 -0.84 -4.69 105.19 95.50 3ks6 n GLY 108 Ca 0.17 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.64 3ks6 n GLY 108 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ks6 h VAL 109 N -1.48 0.80 0.00 1.61 2.07 -1.89 -0.57 116.25 116.80 3ks6 h VAL 109 Ca -0.24 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3ks6 h VAL 109 Cb 0.66 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3ks6 h VAL 109 CO 0.17 0.12 0.00 -0.90 0.02 0.00 0.00 177.57 176.97 3ks6 n ASP 110 N -4.56 0.00 0.00 0.57 5.75 -1.26 -4.87 116.55 112.17 3ks6 n ASP 110 Ca 0.18 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 3ks6 n ASP 110 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3ks6 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ks6 n GLY 111 N 0.78 0.91 3.88 6.12 0.00 -0.22 -5.03 105.19 111.64 3ks6 n GLY 111 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3ks6 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ks6 s LEU 112 N 0.00 4.27 0.70 0.99 1.43 -1.26 -4.82 118.68 119.98 3ks6 s LEU 112 Ca 0.00 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 3ks6 s LEU 112 Cb 0.00 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.58 3ks6 s LEU 112 CO 0.00 0.23 1.19 -2.84 0.23 0.00 0.00 176.35 175.16 3ks6 s PRO 113 N -2.12 2.37 -0.12 1.29 0.02 -1.26 -1.99 135.00 133.20 3ks6 s PRO 113 Ca 0.29 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.73 3ks6 s PRO 113 Cb -0.13 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 3ks6 s PRO 113 CO 0.21 -1.65 1.23 0.71 -0.33 0.00 0.00 177.00 177.18 3ks6 s TYR 114 N -1.97 3.00 0.13 6.54 2.02 -1.26 -4.83 117.35 120.98 3ks6 s TYR 114 Ca 0.74 1.10 -0.31 0.00 -0.37 0.00 0.00 57.07 58.23 3ks6 s TYR 114 Cb -0.28 -3.47 -0.09 0.00 -0.40 0.00 0.00 41.96 37.72 3ks6 s TYR 114 CO 0.43 -1.52 1.54 -2.00 -1.57 0.00 0.00 175.55 172.43 3ks6 s GLU 115 N 2.96 4.23 0.00 -0.62 2.12 -1.26 -2.79 118.70 123.35 3ks6 s GLU 115 Ca 0.55 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.17 3ks6 s GLU 115 Cb -0.23 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.90 3ks6 s GLU 115 CO 0.17 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 3ks6 n GLY 116 N 3.74 0.99 0.20 -1.50 0.00 -1.26 -4.90 105.19 102.45 3ks6 n GLY 116 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 3ks6 n GLY 116 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ks6 h PHE 117 N 0.00 0.99 -0.56 1.61 3.57 -1.94 -3.01 116.94 117.61 3ks6 h PHE 117 Ca 0.00 -0.52 0.10 0.00 3.53 0.00 0.00 57.97 61.08 3ks6 h PHE 117 Cb 0.00 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.54 3ks6 h PHE 117 CO 0.00 1.35 0.11 0.28 -2.23 0.00 0.00 178.31 177.82 3ks6 h VAL 118 N 0.40 0.66 -0.91 1.41 2.07 -1.91 0.13 116.25 118.11 3ks6 h VAL 118 Ca -0.11 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3ks6 h VAL 118 Cb 1.62 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3ks6 h VAL 118 CO 0.19 0.04 0.58 0.00 0.02 0.00 0.00 177.57 178.41 3ks6 h ALA 119 N 1.45 1.22 -0.43 1.67 0.00 -1.95 -1.53 119.26 119.69 3ks6 h ALA 119 Ca 0.29 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3ks6 h ALA 119 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ks6 h ALA 119 CO -0.38 0.41 -0.21 -0.07 0.00 0.00 0.00 179.25 179.00 3ks6 h LEU 120 N 1.11 0.87 -0.17 0.00 3.38 -1.18 -1.43 115.31 117.90 3ks6 h LEU 120 Ca 0.37 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ks6 h LEU 120 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ks6 h LEU 120 CO -0.14 1.06 0.02 0.58 0.09 0.00 0.00 178.44 180.05 3ks6 h VAL 121 N 0.75 1.23 -0.36 1.22 2.07 -0.40 -0.67 116.25 120.09 3ks6 h VAL 121 Ca 0.10 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3ks6 h VAL 121 Cb 0.75 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3ks6 h VAL 121 CO 0.06 0.23 0.20 0.40 0.02 0.00 0.00 177.57 178.48 3ks6 h ILE 122 N 0.06 1.14 -0.85 4.57 2.04 -1.22 0.05 117.51 123.30 3ks6 h ILE 122 Ca 0.05 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3ks6 h ILE 122 Cb 0.33 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3ks6 h ILE 122 CO 0.01 0.14 0.56 0.00 0.00 0.00 0.00 178.15 178.86 3ks6 h ALA 123 N 1.07 1.45 -0.13 1.87 0.00 -1.19 -1.30 119.26 121.03 3ks6 h ALA 123 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ks6 h ALA 123 Cb 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ks6 h ALA 123 CO -0.02 0.48 -0.11 0.78 0.00 0.00 0.00 179.25 180.38 3ks6 h GLY 124 N 1.09 0.32 0.87 0.00 0.00 -0.60 -1.16 103.07 103.59 3ks6 h GLY 124 Ca 0.33 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3ks6 h GLY 124 CO -0.09 0.29 0.55 1.41 0.00 0.00 0.00 176.54 178.71 3ks6 h LEU 125 N -0.08 0.92 -0.08 3.11 3.38 -0.85 -2.14 115.31 119.57 3ks6 h LEU 125 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ks6 h LEU 125 Cb 0.62 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ks6 h LEU 125 CO 0.03 0.63 0.05 -0.08 0.09 0.00 0.00 178.44 179.15 3ks6 h GLU 126 N 1.07 0.10 -0.71 1.13 4.57 -1.22 -2.16 114.58 117.36 3ks6 h GLU 126 Ca 0.34 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.61 3ks6 h GLU 126 Cb 0.01 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 3ks6 h GLU 126 CO -0.12 0.10 0.47 -0.09 -1.18 0.00 0.00 179.01 178.19 3ks6 h ARG 127 N 0.08 0.59 -0.48 1.92 2.43 -0.81 -2.34 114.38 115.77 3ks6 h ARG 127 Ca 0.03 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3ks6 h ARG 127 Cb 0.02 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3ks6 h ARG 127 CO -0.01 0.39 0.05 0.72 -1.51 0.00 0.00 179.97 179.62 3ks6 n HIS 128 N -4.49 1.69 -2.96 2.20 8.25 -0.84 -5.10 115.22 113.96 3ks6 n HIS 128 Ca 0.12 -0.92 -0.01 0.00 -0.26 0.00 0.00 57.72 56.64 3ks6 n HIS 128 Cb 0.33 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.97 3ks6 n HIS 128 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ks6 n SER 129 N -0.05 -7.59 0.00 0.41 7.64 -0.84 -4.91 113.62 108.29 3ks6 n SER 129 Ca 0.28 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.19 3ks6 n SER 129 Cb 1.12 -5.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 3ks6 n SER 129 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ks6 n LEU 131 N -1.51 0.00 0.00 -3.43 7.94 -1.10 -4.80 117.00 114.09 3ks6 n LEU 131 Ca 0.02 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.02 3ks6 n LEU 131 Cb 0.49 0.00 0.63 0.00 0.53 0.00 0.00 43.42 45.07 3ks6 n LEU 131 CO 0.50 0.00 0.83 -0.62 -1.11 0.00 0.00 177.39 176.99 3ks6 n GLU 132 N 0.00 0.63 -0.36 1.96 -0.58 -1.26 -1.88 120.64 119.15 3ks6 n GLU 132 Ca 0.00 0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.82 3ks6 n GLU 132 Cb 0.00 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 29.56 3ks6 n GLU 132 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ks6 n ARG 133 N -1.03 1.74 -4.93 3.49 1.74 -1.26 -5.03 116.66 111.38 3ks6 n ARG 133 Ca 0.15 -2.87 -0.33 0.00 -0.77 0.00 0.00 57.85 54.04 3ks6 n ARG 133 Cb 0.08 -1.64 -0.14 0.00 -1.02 0.00 0.00 32.46 29.75 3ks6 n ARG 133 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ks6 s THR 134 N -3.00 2.86 -0.09 0.55 2.01 -0.79 -0.83 115.64 116.35 3ks6 s THR 134 Ca 0.37 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 3ks6 s THR 134 Cb 0.33 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 3ks6 s THR 134 CO 0.02 0.57 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.60 3ks6 s THR 135 N -0.27 4.09 -0.02 -0.82 2.01 -0.39 -4.34 115.64 115.91 3ks6 s THR 135 Ca 0.01 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.69 3ks6 s THR 135 Cb -0.13 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3ks6 s THR 135 CO 0.03 0.59 0.03 -0.36 -0.69 0.00 0.00 174.62 174.22 3ks6 s PHE 136 N -0.69 3.18 0.09 4.92 0.08 -0.45 -0.53 117.98 124.57 3ks6 s PHE 136 Ca 0.11 0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.34 3ks6 s PHE 136 Cb -0.12 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 3ks6 s PHE 136 CO 0.02 0.50 -0.07 -1.54 -0.10 0.00 0.00 175.22 174.03 3ks6 s SER 137 N -1.46 1.12 -0.03 1.36 1.04 0.08 -0.65 113.70 115.16 3ks6 s SER 137 Ca 0.19 -0.90 -0.29 0.00 0.48 0.00 0.00 55.95 55.44 3ks6 s SER 137 Cb -0.12 0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.17 3ks6 s SER 137 CO 0.10 -0.39 0.79 -0.55 0.98 0.00 0.00 173.24 174.17 3ks6 s SER 138 N -2.70 -0.50 0.35 7.02 0.15 -1.11 -1.02 113.70 115.90 3ks6 s SER 138 Ca 0.07 0.33 0.20 0.00 0.70 0.00 0.00 55.95 57.24 3ks6 s SER 138 Cb 0.01 0.45 0.20 0.00 -1.71 0.00 0.00 66.02 64.98 3ks6 s SER 138 CO -0.03 -0.62 1.49 -0.26 1.20 0.00 0.00 173.24 175.02 3ks6 h PHE 139 N 2.45 0.00 -3.63 3.44 -1.00 -1.79 -0.36 116.94 116.06 3ks6 h PHE 139 Ca -0.25 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 59.91 3ks6 h PHE 139 Cb 1.20 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.62 3ks6 h PHE 139 CO 0.30 0.21 -0.34 -0.51 -1.61 0.00 0.00 178.31 176.36 3ks6 s LEU 140 N -6.24 4.09 0.45 1.54 1.02 -1.26 -4.80 118.68 113.49 3ks6 s LEU 140 Ca 0.05 0.26 0.12 0.00 0.02 0.00 0.00 54.13 54.58 3ks6 s LEU 140 Cb 0.06 -2.31 1.04 0.00 0.02 0.00 0.00 46.19 45.00 3ks6 s LEU 140 CO 0.71 -0.06 2.07 -0.07 0.02 0.00 0.00 176.35 179.03 3ks6 h LEU 141 N 7.95 0.29 -0.77 1.79 3.38 -1.97 -1.51 115.31 124.47 3ks6 h LEU 141 Ca -0.35 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.69 3ks6 h LEU 141 Cb 1.17 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 3ks6 h LEU 141 CO 0.66 0.20 0.44 0.00 0.09 0.00 0.00 178.44 179.83 3ks6 h ALA 142 N 1.82 1.07 0.00 1.53 0.00 -2.01 0.45 119.26 122.12 3ks6 h ALA 142 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ks6 h ALA 142 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ks6 h ALA 142 CO -0.03 0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.77 3ks6 n SER 143 N -4.74 1.87 0.00 0.00 7.64 -0.57 -1.39 113.62 116.43 3ks6 n SER 143 Ca 0.11 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.78 3ks6 n SER 143 Cb 0.22 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3ks6 n SER 143 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ks6 n ASP 145 N 0.83 0.00 -0.26 6.43 8.00 0.15 -1.10 116.55 130.59 3ks6 n ASP 145 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 3ks6 n ASP 145 Cb 0.29 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.44 3ks6 n ASP 145 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3ks6 h GLU 146 N 0.00 0.96 -0.37 -1.24 5.08 -1.48 -2.42 114.58 115.12 3ks6 h GLU 146 Ca 0.00 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3ks6 h GLU 146 Cb 0.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3ks6 h GLU 146 CO 0.00 0.67 0.05 -0.07 -1.00 0.00 0.00 179.01 178.66 3ks6 h LEU 147 N 0.98 0.59 -0.84 1.33 3.38 -1.39 -1.94 115.31 117.43 3ks6 h LEU 147 Ca 0.26 -0.27 0.17 0.00 0.09 0.00 0.00 57.88 58.13 3ks6 h LEU 147 Cb -0.06 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.42 3ks6 h LEU 147 CO -0.05 0.71 0.38 -0.25 0.09 0.00 0.00 178.44 179.32 3ks6 h TRP 148 N 0.46 0.65 -0.03 1.13 7.01 -1.77 -0.56 115.95 122.84 3ks6 h TRP 148 Ca 0.11 0.04 -0.15 0.00 2.11 0.00 0.00 58.89 61.00 3ks6 h TRP 148 Cb 0.37 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 3ks6 h TRP 148 CO 0.03 0.08 -0.68 0.87 -2.79 0.00 0.00 178.44 175.95 3ks6 h LYS 149 N 0.50 0.14 0.00 2.65 1.57 -1.27 -3.38 116.57 116.78 3ks6 h LYS 149 Ca 0.48 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3ks6 h LYS 149 Cb 0.77 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3ks6 h LYS 149 CO -0.43 0.76 -1.72 0.00 -0.57 0.00 0.00 179.45 177.50 3ks6 n ALA 150 N -2.45 3.34 -3.20 3.86 0.00 -0.55 -4.99 120.51 116.51 3ks6 n ALA 150 Ca -0.02 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.75 3ks6 n ALA 150 Cb 0.67 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 3ks6 n ALA 150 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ks6 s THR 151 N -3.38 0.06 -1.51 0.00 -1.32 -0.33 -5.01 115.64 104.16 3ks6 s THR 151 Ca -0.04 -0.50 0.27 0.00 -1.21 0.00 0.00 61.69 60.22 3ks6 s THR 151 Cb 0.15 -0.56 0.31 0.00 -1.51 0.00 0.00 72.50 70.88 3ks6 s THR 151 CO 0.90 -0.27 1.71 0.35 -2.21 0.00 0.00 174.62 175.09 3ks6 n THR 152 N 1.42 0.00 -1.60 5.08 -2.24 -1.26 -4.60 114.28 111.08 3ks6 n THR 152 Ca -0.21 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 3ks6 n THR 152 Cb 0.56 0.06 0.07 0.00 -2.10 0.00 0.00 70.33 68.92 3ks6 n THR 152 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ks6 s ARG 153 N -2.62 2.48 0.51 -0.78 1.81 -1.26 -4.95 118.95 114.14 3ks6 s ARG 153 Ca 0.23 1.55 -0.22 0.00 -1.72 0.00 0.00 55.73 55.57 3ks6 s ARG 153 Cb 0.19 -1.90 -0.07 0.00 -0.45 0.00 0.00 34.95 32.73 3ks6 s ARG 153 CO 0.53 -1.53 1.20 -2.30 -0.68 0.00 0.00 175.30 172.52 3ks6 n PRO 154 N -2.58 1.53 -4.29 3.54 -0.02 -1.26 -4.84 135.00 127.07 3ks6 n PRO 154 Ca 0.12 0.56 -0.22 0.00 -2.02 0.00 0.00 63.50 61.93 3ks6 n PRO 154 Cb 0.51 -2.37 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 3ks6 n PRO 154 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ks6 s ARG 155 N -2.57 1.05 -0.03 -0.52 0.52 -1.26 -1.35 118.95 114.80 3ks6 s ARG 155 Ca 0.69 -1.06 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 3ks6 s ARG 155 Cb -0.46 -1.22 0.02 0.00 0.52 0.00 0.00 34.95 33.81 3ks6 s ARG 155 CO 0.52 0.29 0.06 -0.48 0.02 0.00 0.00 175.30 175.70 3ks6 s LEU 156 N -1.74 1.37 -0.25 2.53 0.05 0.18 -4.24 118.68 116.58 3ks6 s LEU 156 Ca 0.04 0.11 -0.19 0.00 0.05 0.00 0.00 54.13 54.14 3ks6 s LEU 156 Cb -0.10 0.11 -0.02 0.00 -2.05 0.00 0.00 46.19 44.13 3ks6 s LEU 156 CO 0.03 -0.08 0.58 0.86 -0.55 0.00 0.00 176.35 177.19 3ks6 s TRP 157 N 0.59 3.29 -0.39 3.48 -0.00 -0.77 -2.74 118.94 122.41 3ks6 s TRP 157 Ca -0.05 0.75 -0.29 0.00 -0.00 0.00 0.00 56.10 56.52 3ks6 s TRP 157 Cb -0.07 -2.78 0.02 0.00 -0.00 0.00 0.00 33.47 30.64 3ks6 s TRP 157 CO -0.02 -0.28 1.20 -0.51 -0.00 0.00 0.00 176.95 177.34 3ks6 s LEU 158 N 2.32 3.76 -0.41 5.86 1.43 -0.14 -0.90 118.68 130.59 3ks6 s LEU 158 Ca 0.24 0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 54.02 3ks6 s LEU 158 Cb -0.16 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.54 3ks6 s LEU 158 CO 0.09 -1.15 0.34 -0.69 0.23 0.00 0.00 176.35 175.17 3ks6 s VAL 159 N 4.39 5.21 0.77 -1.59 1.01 0.36 -4.29 120.40 126.26 3ks6 s VAL 159 Ca 0.51 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 3ks6 s VAL 159 Cb -0.11 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.37 3ks6 s VAL 159 CO 0.26 -0.34 1.12 -0.94 0.00 0.00 0.00 175.10 175.20 3ks6 s SER 160 N 1.72 4.27 0.32 3.32 1.04 -1.26 -4.28 113.70 118.83 3ks6 s SER 160 Ca 0.07 2.00 0.09 0.00 0.48 0.00 0.00 55.95 58.59 3ks6 s SER 160 Cb -0.18 -2.55 0.83 0.00 0.10 0.00 0.00 66.02 64.22 3ks6 s SER 160 CO 0.11 -2.20 1.77 -0.65 0.98 0.00 0.00 173.24 173.25 3ks6 h PRO 161 N -0.94 0.65 0.16 4.02 0.11 -1.98 0.17 132.00 134.19 3ks6 h PRO 161 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ks6 h PRO 161 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ks6 h PRO 161 CO 0.50 0.43 -0.08 0.77 -0.21 0.00 0.00 178.00 179.41 3ks6 h SER 162 N 0.67 -0.18 -0.55 -2.05 0.02 -1.99 0.60 113.55 110.07 3ks6 h SER 162 Ca 0.59 -0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.42 3ks6 h SER 162 Cb 1.05 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.58 3ks6 h SER 162 CO -0.38 0.09 0.24 0.58 -1.14 0.00 0.00 176.83 176.21 3ks6 h VAL 163 N -0.45 0.87 -0.45 2.27 2.07 -1.84 -0.80 116.25 117.91 3ks6 h VAL 163 Ca -0.02 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3ks6 h VAL 163 Cb 0.36 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3ks6 h VAL 163 CO 0.04 0.08 -0.03 0.25 0.02 0.00 0.00 177.57 177.93 3ks6 h LEU 164 N 0.45 0.81 -0.24 2.57 5.85 -0.80 -0.62 115.31 123.34 3ks6 h LEU 164 Ca 0.26 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 3ks6 h LEU 164 Cb 0.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3ks6 h LEU 164 CO -0.22 0.94 -0.17 -0.61 -0.34 0.00 0.00 178.44 178.04 3ks6 h GLN 165 N 0.67 0.53 0.01 1.25 4.15 -0.75 -0.70 115.11 120.27 3ks6 h GLN 165 Ca 0.13 -0.26 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 3ks6 h GLN 165 Cb 0.54 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.23 3ks6 h GLN 165 CO 0.03 0.83 -0.31 1.96 -1.93 0.00 0.00 178.83 179.41 3ks6 h GLN 166 N 0.24 0.19 -0.48 1.69 4.20 -1.10 -3.27 115.11 116.58 3ks6 h GLN 166 Ca 0.05 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 3ks6 h GLN 166 Cb 0.70 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3ks6 h GLN 166 CO 0.05 0.97 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.90 3ks6 h LEU 167 N -0.49 1.02 0.00 1.46 4.07 -1.24 -3.50 115.31 116.62 3ks6 h LEU 167 Ca -0.04 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.53 3ks6 h LEU 167 Cb 1.08 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3ks6 h LEU 167 CO 0.06 1.18 0.00 0.61 -1.08 0.00 0.00 178.44 179.21 3ks6 n GLY 168 N -0.12 -1.96 0.30 0.83 0.00 -0.27 -4.25 105.19 99.72 3ks6 n GLY 168 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 3ks6 n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ks6 h PRO 169 N 0.00 0.77 -0.54 1.61 0.13 -1.93 -1.88 132.00 130.16 3ks6 h PRO 169 Ca 0.00 -0.14 0.02 0.00 -0.87 0.00 0.00 66.00 65.01 3ks6 h PRO 169 Cb 0.00 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 30.97 3ks6 h PRO 169 CO 0.00 0.69 0.33 0.78 -0.23 0.00 0.00 178.00 179.57 3ks6 h GLY 170 N 0.93 0.76 1.66 1.56 0.00 -1.96 -1.15 103.07 104.86 3ks6 h GLY 170 Ca 0.17 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 3ks6 h GLY 170 CO -0.00 0.22 -0.91 0.00 0.00 0.00 0.00 176.54 175.85 3ks6 h ALA 171 N 1.23 0.44 -0.29 3.60 0.00 -1.66 -2.19 119.26 120.38 3ks6 h ALA 171 Ca 0.21 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 54.45 3ks6 h ALA 171 Cb -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3ks6 h ALA 171 CO -0.08 0.86 0.06 0.28 0.00 0.00 0.00 179.25 180.37 3ks6 h VAL 172 N 0.17 0.87 -0.37 0.00 2.07 -1.20 0.57 116.25 118.36 3ks6 h VAL 172 Ca -0.06 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3ks6 h VAL 172 Cb 1.54 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3ks6 h VAL 172 CO 0.15 0.03 0.18 0.40 0.02 0.00 0.00 177.57 178.35 3ks6 h ILE 173 N 0.17 1.17 -0.89 4.57 2.04 -1.10 -0.02 117.51 123.45 3ks6 h ILE 173 Ca 0.14 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3ks6 h ILE 173 Cb 0.14 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3ks6 h ILE 173 CO -0.18 0.18 0.59 -0.33 0.00 0.00 0.00 178.15 178.41 3ks6 h GLU 174 N 0.46 1.17 -0.21 2.37 5.08 -1.19 -0.55 114.58 121.70 3ks6 h GLU 174 Ca 0.13 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3ks6 h GLU 174 Cb 0.12 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3ks6 h GLU 174 CO -0.02 0.77 0.00 1.15 -1.00 0.00 0.00 179.01 179.92 3ks6 h THR 175 N 1.20 1.25 -0.31 1.13 2.02 -0.65 -0.25 112.91 117.30 3ks6 h THR 175 Ca 0.33 -0.88 0.05 0.00 0.77 0.00 0.00 66.41 66.69 3ks6 h THR 175 Cb -0.13 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 3ks6 h THR 175 CO -0.07 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.09 3ks6 h ALA 176 N 0.80 0.28 -0.56 6.16 0.00 -0.73 -2.40 119.26 122.80 3ks6 h ALA 176 Ca 0.06 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ks6 h ALA 176 Cb 0.40 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ks6 h ALA 176 CO 0.01 -0.40 0.10 0.82 0.00 0.00 0.00 179.25 179.77 3ks6 h ILE 177 N 0.09 1.24 0.00 0.00 2.04 -0.87 -0.56 117.51 119.45 3ks6 h ILE 177 Ca 0.15 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3ks6 h ILE 177 Cb 0.20 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3ks6 h ILE 177 CO -0.25 0.34 -0.04 0.00 0.00 0.00 0.00 178.15 178.20 3ks6 h ALA 178 N 1.25 1.43 -0.40 1.87 0.00 -0.65 -1.82 119.26 120.93 3ks6 h ALA 178 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ks6 h ALA 178 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ks6 h ALA 178 CO 0.01 0.05 0.00 0.72 0.00 0.00 0.00 179.25 180.03 3ks6 n HIS 179 N -3.76 0.96 -3.71 0.00 8.25 -0.80 -4.98 115.22 111.19 3ks6 n HIS 179 Ca -0.03 -0.67 -0.28 0.00 -0.26 0.00 0.00 57.72 56.48 3ks6 n HIS 179 Cb 0.13 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 31.06 3ks6 n HIS 179 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ks6 n SER 180 N 0.31 -4.91 -4.68 0.41 7.64 -0.69 -4.90 113.62 106.81 3ks6 n SER 180 Ca 0.19 -0.64 -0.37 0.00 1.01 0.00 0.00 58.87 59.06 3ks6 n SER 180 Cb 0.74 -3.93 -0.08 0.00 -1.01 0.00 0.00 64.21 59.93 3ks6 n SER 180 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ks6 s ILE 181 N -3.22 5.27 -1.53 0.44 1.01 -0.29 -4.98 121.20 117.91 3ks6 s ILE 181 Ca 0.58 0.51 0.20 0.00 0.00 0.00 0.00 60.65 61.94 3ks6 s ILE 181 Cb -0.29 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 3ks6 s ILE 181 CO 0.72 0.31 0.94 1.41 0.00 0.00 0.00 174.94 178.32 3ks6 n HIS 182 N 4.19 0.00 -3.76 3.97 8.25 -1.26 -4.31 115.22 122.30 3ks6 n HIS 182 Ca -0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.22 3ks6 n HIS 182 Cb 0.52 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.51 3ks6 n HIS 182 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3ks6 s GLU 183 N -2.43 0.33 0.24 -0.41 2.12 -1.26 -1.24 118.70 116.05 3ks6 s GLU 183 Ca 0.13 0.47 0.10 0.00 0.36 0.00 0.00 54.97 56.04 3ks6 s GLU 183 Cb 0.16 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 3ks6 s GLU 183 CO 0.60 -0.07 -0.11 0.96 -0.54 0.00 0.00 175.26 176.10 3ks6 s ILE 184 N 0.44 2.98 -0.10 -3.70 -4.36 -0.66 -1.84 121.20 113.96 3ks6 s ILE 184 Ca -0.02 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 3ks6 s ILE 184 Cb -0.04 -2.54 0.01 0.00 1.25 0.00 0.00 42.46 41.14 3ks6 s ILE 184 CO -0.02 -0.29 -0.15 -0.83 0.24 0.00 0.00 174.94 173.89 3ks6 s GLY 185 N -3.30 1.02 0.20 6.27 0.00 -0.08 -1.74 107.32 109.68 3ks6 s GLY 185 Ca 0.28 -0.70 0.11 0.00 0.00 0.00 0.00 44.72 44.41 3ks6 s GLY 185 CO 0.16 0.20 -0.20 -1.34 0.00 0.00 0.00 173.10 171.92 3ks6 s VAL 186 N 0.93 2.57 0.24 1.40 -7.23 -0.68 -0.49 120.40 117.14 3ks6 s VAL 186 Ca -0.08 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 57.81 3ks6 s VAL 186 Cb -0.15 -2.25 -0.13 0.00 0.56 0.00 0.00 36.38 34.41 3ks6 s VAL 186 CO -0.00 -0.14 1.56 1.57 -0.31 0.00 0.00 175.10 177.78 3ks6 n HIS 187 N 0.14 2.53 -0.33 2.82 -0.00 -1.26 -1.03 115.22 118.09 3ks6 n HIS 187 Ca -0.12 0.27 0.19 0.00 0.46 0.00 0.00 57.72 58.53 3ks6 n HIS 187 Cb 0.56 -2.56 0.44 0.00 -0.12 0.00 0.00 29.99 28.31 3ks6 n HIS 187 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 3ks6 h ILE 188 N 3.38 0.58 0.00 3.57 6.09 -1.28 0.11 117.51 129.96 3ks6 h ILE 188 Ca -0.45 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 3ks6 h ILE 188 Cb 1.24 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.54 3ks6 h ILE 188 CO 0.83 0.09 0.00 0.44 -3.07 0.00 0.00 178.15 176.44 3ks6 h ASP 189 N 0.52 0.00 -0.02 2.19 3.32 -1.89 -2.23 116.42 118.31 3ks6 h ASP 189 Ca 0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.64 3ks6 h ASP 189 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3ks6 h ASP 189 CO -0.35 0.00 -0.08 0.35 -1.72 0.00 0.00 179.24 177.44 3ks6 n THR 190 N -2.46 0.00 -3.10 0.35 -2.24 0.36 -4.98 114.28 102.22 3ks6 n THR 190 Ca 0.01 -0.46 -0.35 0.00 -2.27 0.00 0.00 64.05 60.98 3ks6 n THR 190 Cb 0.20 1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 3ks6 n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ks6 s ALA 191 N -1.79 3.38 0.30 6.98 0.00 -0.84 -4.98 121.76 124.81 3ks6 s ALA 191 Ca 0.22 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 3ks6 s ALA 191 Cb 0.17 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.48 3ks6 s ALA 191 CO 0.30 0.32 0.60 0.16 0.00 0.00 0.00 175.76 177.14 3ks6 s ASP 192 N -1.80 0.07 0.18 0.00 1.47 -1.26 -5.04 116.67 110.29 3ks6 s ASP 192 Ca 0.46 -1.00 -0.12 0.00 1.18 0.00 0.00 52.55 53.06 3ks6 s ASP 192 Cb -0.15 0.69 0.08 0.00 -0.34 0.00 0.00 42.92 43.20 3ks6 s ASP 192 CO 0.20 -1.33 1.76 0.00 0.68 0.00 0.00 175.17 176.48 3ks6 h ALA 193 N 2.12 0.77 -0.79 2.11 0.00 -1.98 -2.94 119.26 118.55 3ks6 h ALA 193 Ca -0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3ks6 h ALA 193 Cb 1.25 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3ks6 h ALA 193 CO 0.34 0.33 0.34 0.78 0.00 0.00 0.00 179.25 181.04 3ks6 h GLY 194 N 0.82 1.26 -1.44 0.00 0.00 -2.02 -1.29 103.07 100.39 3ks6 h GLY 194 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3ks6 h GLY 194 CO -0.03 0.63 0.00 -0.10 0.00 0.00 0.00 176.54 177.04 3ks6 n LEU 195 N -4.31 0.28 0.00 3.11 7.94 -1.11 -1.72 117.00 121.19 3ks6 n LEU 195 Ca 0.07 -0.14 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 3ks6 n LEU 195 Cb 0.17 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.05 3ks6 n LEU 195 CO 0.40 0.05 0.00 0.00 -1.11 0.00 0.00 177.39 176.74 3ks6 n ALA 197 N 0.65 0.00 -0.14 1.96 0.00 -0.49 -1.71 120.51 120.78 3ks6 n ALA 197 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3ks6 n ALA 197 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.51 3ks6 n ALA 197 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3ks6 h GLN 198 N 0.00 0.59 -0.09 0.00 4.15 -1.60 0.50 115.11 118.66 3ks6 h GLN 198 Ca 0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ks6 h GLN 198 Cb 0.00 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 3ks6 h GLN 198 CO 0.00 0.43 0.05 0.28 -1.93 0.00 0.00 178.83 177.66 3ks6 h VAL 199 N 0.58 1.06 -0.12 2.39 2.07 -1.60 -2.97 116.25 117.66 3ks6 h VAL 199 Ca 0.16 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 3ks6 h VAL 199 Cb -0.02 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3ks6 h VAL 199 CO -0.03 0.05 -0.40 1.56 0.02 0.00 0.00 177.57 178.77 3ks6 h GLN 200 N 0.08 0.26 -0.13 1.57 4.20 -1.56 -2.47 115.11 117.07 3ks6 h GLN 200 Ca 0.03 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3ks6 h GLN 200 Cb 0.04 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3ks6 h GLN 200 CO -0.01 0.63 0.08 0.00 -0.67 0.00 0.00 178.83 178.86 3ks6 h ALA 201 N 1.36 1.89 -0.03 3.87 0.00 -0.83 -0.59 119.26 124.94 3ks6 h ALA 201 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ks6 h ALA 201 Cb 0.81 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ks6 h ALA 201 CO 0.06 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3ks6 n ALA 202 N -2.52 2.62 -0.34 0.00 0.00 -0.96 -4.90 120.51 114.41 3ks6 n ALA 202 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3ks6 n ALA 202 Cb 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3ks6 n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ks6 n GLY 203 N 1.05 0.82 3.81 0.00 0.00 -0.23 -5.07 105.19 105.56 3ks6 n GLY 203 Ca 0.20 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3ks6 n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ks6 s LEU 204 N 0.00 4.00 0.43 0.99 1.43 -0.99 -4.98 118.68 119.55 3ks6 s LEU 204 Ca 0.00 0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 3ks6 s LEU 204 Cb 0.00 -2.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.79 3ks6 s LEU 204 CO 0.00 0.27 1.06 -1.81 0.23 0.00 0.00 176.35 176.10 3ks6 s ASP 205 N -1.78 6.60 -0.10 2.29 1.01 -0.37 -3.51 116.67 120.80 3ks6 s ASP 205 Ca 0.24 2.03 0.01 0.00 0.71 0.00 0.00 52.55 55.54 3ks6 s ASP 205 Cb -0.12 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.25 3ks6 s ASP 205 CO 0.15 -0.61 -0.11 0.12 0.21 0.00 0.00 175.17 174.93 3ks6 s PHE 206 N -1.73 1.67 0.31 4.23 5.36 -1.26 -1.65 117.98 124.90 3ks6 s PHE 206 Ca 0.61 -0.78 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 3ks6 s PHE 206 Cb -0.21 -1.27 -0.03 0.00 -0.34 0.00 0.00 43.02 41.17 3ks6 s PHE 206 CO 0.26 -0.46 0.25 0.41 -1.46 0.00 0.00 175.22 174.22 3ks6 n GLY 207 N 4.45 3.02 3.27 13.12 0.00 -0.71 -0.62 105.19 127.72 3ks6 n GLY 207 Ca -0.17 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 3ks6 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ks6 s TRP 209 N -3.70 0.85 -0.87 0.00 1.48 -0.20 -2.65 118.94 113.85 3ks6 s TRP 209 Ca 0.29 -1.18 -0.02 0.00 -1.06 0.00 0.00 56.10 54.14 3ks6 s TRP 209 Cb 0.07 -0.49 0.00 0.00 -1.16 0.00 0.00 33.47 31.88 3ks6 s TRP 209 CO 0.07 -0.45 0.21 0.00 -4.06 0.00 0.00 176.95 172.72 3ks6 n ALA 210 N -0.08 -0.45 -3.09 2.67 0.00 -1.20 -0.85 120.51 117.52 3ks6 n ALA 210 Ca -0.07 0.13 -0.45 0.00 0.00 0.00 0.00 53.44 53.05 3ks6 n ALA 210 Cb 0.63 -1.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 3ks6 n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ks6 s ALA 211 N -2.76 4.07 -0.07 0.00 0.00 -0.84 -4.72 121.76 117.45 3ks6 s ALA 211 Ca 0.10 -3.36 0.17 0.00 0.00 0.00 0.00 51.96 48.87 3ks6 s ALA 211 Cb -0.05 -3.90 -0.25 0.00 0.00 0.00 0.00 23.12 18.92 3ks6 s ALA 211 CO 0.13 -2.61 0.29 0.72 0.00 0.00 0.00 175.76 174.29 3ks6 n HIS 212 N 4.88 0.00 -3.97 0.00 8.25 -1.26 -4.29 115.22 118.82 3ks6 n HIS 212 Ca 0.28 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.53 3ks6 n HIS 212 Cb 0.44 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 3ks6 n HIS 212 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ks6 s THR 213 N -2.98 4.71 0.32 1.59 -4.23 -1.26 -4.51 115.64 109.27 3ks6 s THR 213 Ca -0.07 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 3ks6 s THR 213 Cb 0.09 -3.59 0.30 0.00 1.34 0.00 0.00 72.50 70.64 3ks6 s THR 213 CO 0.72 -0.31 1.86 -0.65 -0.54 0.00 0.00 174.62 175.70 3ks6 h PRO 214 N 1.28 0.84 -0.42 3.99 0.11 -1.99 -0.41 132.00 135.39 3ks6 h PRO 214 Ca -0.50 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 3ks6 h PRO 214 Cb 1.24 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3ks6 h PRO 214 CO 0.60 0.55 -0.04 0.66 -0.21 0.00 0.00 178.00 179.56 3ks6 h SER 215 N 0.86 0.67 -0.09 -2.05 4.64 -1.98 -0.44 113.55 115.16 3ks6 h SER 215 Ca 0.46 -0.17 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 3ks6 h SER 215 Cb 0.56 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3ks6 h SER 215 CO -0.23 0.77 -0.43 1.56 -0.87 0.00 0.00 176.83 177.64 3ks6 h GLN 216 N 0.65 0.44 -0.43 4.77 4.20 -1.70 -1.87 115.11 121.17 3ks6 h GLN 216 Ca 0.13 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 3ks6 h GLN 216 Cb 0.46 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3ks6 h GLN 216 CO 0.02 0.99 0.25 0.82 -0.67 0.00 0.00 178.83 180.25 3ks6 h ILE 217 N 0.00 1.14 -0.91 2.54 2.04 -1.07 -1.49 117.51 119.77 3ks6 h ILE 217 Ca -0.03 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3ks6 h ILE 217 Cb 1.07 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3ks6 h ILE 217 CO 0.09 0.15 0.50 0.74 0.00 0.00 0.00 178.15 179.63 3ks6 h THR 218 N 0.57 1.26 -0.30 -0.27 2.02 -1.13 -1.00 112.91 114.06 3ks6 h THR 218 Ca 0.15 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 3ks6 h THR 218 Cb 0.02 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3ks6 h THR 218 CO -0.03 0.29 0.17 0.50 0.37 0.00 0.00 175.52 176.82 3ks6 h LYS 219 N 1.26 0.41 -0.37 6.66 3.64 -0.97 0.24 116.57 127.45 3ks6 h LYS 219 Ca 0.32 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 3ks6 h LYS 219 Cb 0.01 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3ks6 h LYS 219 CO -0.05 0.34 0.16 0.00 -2.27 0.00 0.00 179.45 177.63 3ks6 h ALA 220 N 1.05 0.45 -0.18 5.00 0.00 -0.92 0.31 119.26 124.97 3ks6 h ALA 220 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ks6 h ALA 220 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ks6 h ALA 220 CO -0.02 -0.22 0.06 -0.07 0.00 0.00 0.00 179.25 179.00 3ks6 h LEU 221 N 0.33 0.26 -0.84 0.00 3.38 -0.93 -2.56 115.31 114.95 3ks6 h LEU 221 Ca 0.17 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ks6 h LEU 221 Cb 0.11 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3ks6 h LEU 221 CO -0.14 0.38 0.55 0.44 0.09 0.00 0.00 178.44 179.75 3ks6 h ASP 222 N 0.12 0.91 0.77 -0.43 3.32 -0.22 -1.89 116.42 119.01 3ks6 h ASP 222 Ca 0.06 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3ks6 h ASP 222 Cb 0.21 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ks6 h ASP 222 CO -0.00 0.64 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.02 3ks6 h LEU 223 N 1.07 0.00 -0.80 1.55 3.38 -0.86 -3.47 115.31 116.19 3ks6 h LEU 223 Ca 0.33 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 3ks6 h LEU 223 Cb -0.02 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.77 3ks6 h LEU 223 CO -0.11 0.06 -0.21 0.61 0.09 0.00 0.00 178.44 178.88 3ks6 n GLY 224 N -0.20 0.44 3.77 0.83 0.00 -0.71 -5.01 105.19 104.31 3ks6 n GLY 224 Ca -0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 3ks6 n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ks6 s VAL 225 N -3.04 3.31 0.19 1.61 -7.23 -1.13 -4.87 120.40 109.24 3ks6 s VAL 225 Ca 0.17 0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 60.74 3ks6 s VAL 225 Cb -0.08 -3.03 0.10 0.00 0.56 0.00 0.00 36.38 33.93 3ks6 s VAL 225 CO 0.22 -0.46 1.84 0.50 -0.31 0.00 0.00 175.10 176.88 3ks6 h LYS 226 N -0.48 0.75 -2.21 4.82 3.64 -1.24 -3.38 116.57 118.47 3ks6 h LYS 226 Ca -0.45 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 3ks6 h LYS 226 Cb 1.24 -0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 32.71 3ks6 h LYS 226 CO 0.53 0.50 0.27 0.54 -2.27 0.00 0.00 179.45 179.01 3ks6 s VAL 227 N -6.14 0.00 -0.01 2.00 0.11 -1.26 -1.19 120.40 113.91 3ks6 s VAL 227 Ca -0.13 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.88 3ks6 s VAL 227 Cb 0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 3ks6 s VAL 227 CO 0.75 0.00 0.09 0.72 -3.33 0.00 0.00 175.10 173.33 3ks6 s PHE 228 N -1.96 0.02 0.14 1.54 -0.12 -0.84 -1.22 117.98 115.54 3ks6 s PHE 228 Ca -0.06 -0.05 -0.12 0.00 -0.05 0.00 0.00 56.93 56.66 3ks6 s PHE 228 Cb -0.00 -0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.28 3ks6 s PHE 228 CO 0.02 -0.17 0.49 0.95 -0.05 0.00 0.00 175.22 176.46 3ks6 s THR 229 N -0.81 4.96 -0.10 -4.49 -4.23 -1.09 -1.01 115.64 108.88 3ks6 s THR 229 Ca -0.09 0.61 -0.10 0.00 -1.18 0.00 0.00 61.69 60.93 3ks6 s THR 229 Cb -0.05 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.13 3ks6 s THR 229 CO 0.00 0.19 0.29 0.28 -0.54 0.00 0.00 174.62 174.85 3ks6 s THR 230 N -1.51 0.01 -1.26 3.99 -1.32 -0.56 -1.99 115.64 112.99 3ks6 s THR 230 Ca 0.38 -0.06 0.29 0.00 -1.21 0.00 0.00 61.69 61.09 3ks6 s THR 230 Cb -0.14 -0.43 0.35 0.00 -1.51 0.00 0.00 72.50 70.78 3ks6 s THR 230 CO 0.19 -0.03 1.91 0.47 -2.21 0.00 0.00 174.62 174.95 3ks6 n ASP 231 N 2.74 0.13 -3.27 8.08 8.00 -1.26 -0.22 116.55 130.75 3ks6 n ASP 231 Ca -0.14 0.01 -0.26 0.00 0.71 0.00 0.00 54.79 55.11 3ks6 n ASP 231 Cb 0.58 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 3ks6 n ASP 231 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ks6 n ARG 232 N -1.33 2.34 -0.19 -1.24 1.74 -1.26 -1.78 116.66 114.94 3ks6 n ARG 232 Ca 0.11 -4.44 0.01 0.00 -0.77 0.00 0.00 57.85 52.76 3ks6 n ARG 232 Cb 0.29 -2.07 0.27 0.00 -1.02 0.00 0.00 32.46 29.93 3ks6 n ARG 232 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3ks6 h PRO 233 N 3.84 0.93 0.03 5.56 0.13 -1.93 -0.43 132.00 140.13 3ks6 h PRO 233 Ca 0.16 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ks6 h PRO 233 Cb 0.68 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3ks6 h PRO 233 CO 0.76 0.62 -0.01 1.15 -0.23 0.00 0.00 178.00 180.29 3ks6 h THR 234 N 0.96 0.99 -0.50 1.56 2.02 -1.96 -0.25 112.91 115.72 3ks6 h THR 234 Ca 0.26 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.41 3ks6 h THR 234 Cb -0.10 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3ks6 h THR 234 CO -0.06 0.01 0.33 0.25 0.37 0.00 0.00 175.52 176.42 3ks6 h LEU 235 N -0.05 0.58 -0.64 2.58 5.85 -1.92 -2.49 115.31 119.22 3ks6 h LEU 235 Ca -0.00 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3ks6 h LEU 235 Cb 0.04 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3ks6 h LEU 235 CO 0.01 0.43 0.31 0.00 -0.34 0.00 0.00 178.44 178.85 3ks6 h ALA 236 N 1.18 0.86 -0.42 1.25 0.00 -0.49 0.16 119.26 121.80 3ks6 h ALA 236 Ca 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ks6 h ALA 236 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ks6 h ALA 236 CO -0.04 -0.08 0.21 0.82 0.00 0.00 0.00 179.25 180.16 3ks6 h ILE 237 N 0.55 1.17 -0.43 0.00 2.04 -0.87 -0.85 117.51 119.12 3ks6 h ILE 237 Ca 0.31 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3ks6 h ILE 237 Cb 0.30 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3ks6 h ILE 237 CO -0.25 0.18 0.25 0.00 0.00 0.00 0.00 178.15 178.34 3ks6 h ALA 238 N 1.06 0.55 -0.53 1.87 0.00 -0.95 -1.31 119.26 119.94 3ks6 h ALA 238 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3ks6 h ALA 238 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ks6 h ALA 238 CO -0.02 0.05 0.00 -0.07 0.00 0.00 0.00 179.25 179.21 3ks6 h LEU 239 N 0.57 0.87 -0.40 0.00 3.38 -0.87 -2.36 115.31 116.50 3ks6 h LEU 239 Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ks6 h LEU 239 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ks6 h LEU 239 CO -0.03 0.93 0.20 -0.09 0.09 0.00 0.00 178.44 179.54 3ks6 h ARG 240 N 0.84 0.57 -0.11 1.13 2.43 -0.85 -0.64 114.38 117.75 3ks6 h ARG 240 Ca 0.16 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3ks6 h ARG 240 Cb 0.49 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3ks6 h ARG 240 CO 0.02 0.49 -0.10 1.15 -1.51 0.00 0.00 179.97 180.03 3ks6 h THR 241 N 0.51 0.72 -0.73 0.20 2.02 -1.09 -0.02 112.91 114.52 3ks6 h THR 241 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3ks6 h THR 241 Cb 0.10 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3ks6 h THR 241 CO -0.02 0.00 0.46 -0.33 0.37 0.00 0.00 175.52 176.01 3ks6 h GLU 242 N -0.11 0.98 -0.38 6.66 3.07 -1.33 -2.69 114.58 120.77 3ks6 h GLU 242 Ca 0.08 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3ks6 h GLU 242 Cb 0.22 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3ks6 h GLU 242 CO -0.18 0.66 -0.26 1.25 -1.40 0.00 0.00 179.01 179.09 3ks6 h HIS 243 N 1.00 0.91 0.00 4.33 6.17 -0.52 -2.99 115.15 124.05 3ks6 h HIS 243 Ca 0.27 -0.22 0.00 0.00 0.71 0.00 0.00 60.37 61.13 3ks6 h HIS 243 Cb -0.08 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 29.64 3ks6 h HIS 243 CO 0.00 0.96 0.00 0.54 0.71 0.00 0.00 177.93 180.14 3ks6 n ARG 244 N -4.10 0.16 0.00 5.26 1.74 -0.08 -1.30 116.66 118.34 3ks6 n ARG 244 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ks6 n ARG 244 Cb 0.46 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3ks6 n ARG 244 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ks6 n GLU 246 N 0.68 0.00 0.27 5.56 1.02 -1.13 -1.99 120.64 125.05 3ks6 n GLU 246 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3ks6 n GLU 246 Cb 0.06 0.00 0.72 0.00 -0.02 0.00 0.00 31.44 32.21 3ks6 n GLU 246 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ks6 h ALA 247 N 0.00 1.85 0.00 0.62 0.00 -1.49 -3.55 119.26 116.69 3ks6 h ALA 247 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ks6 h ALA 247 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ks6 h ALA 247 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12