#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks6 n THR 2 N 0.00 0.00 -2.87 2.61 -1.04 -1.26 -5.08 114.28 106.64 3ks6 n THR 2 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3ks6 n THR 2 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3ks6 n THR 2 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3ks6 s ARG 3 N 0.00 4.03 -0.14 -2.82 0.52 -0.11 -4.93 118.95 115.49 3ks6 s ARG 3 Ca 0.00 0.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.04 3ks6 s ARG 3 Cb 0.00 -2.30 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 3ks6 s ARG 3 CO 0.00 -0.00 -0.15 0.42 0.02 0.00 0.00 175.30 175.58 3ks6 s ILE 4 N -2.22 2.78 -0.19 1.52 1.01 -1.26 -1.75 121.20 121.09 3ks6 s ILE 4 Ca 0.57 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 3ks6 s ILE 4 Cb -0.10 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3ks6 s ILE 4 CO 0.21 0.52 -0.13 0.00 0.00 0.00 0.00 174.94 175.54 3ks6 s ALA 5 N 0.56 2.56 -0.33 9.38 0.00 -0.26 -2.28 121.76 131.40 3ks6 s ALA 5 Ca -0.09 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 3ks6 s ALA 5 Cb -0.16 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3ks6 s ALA 5 CO 0.04 -0.31 1.64 0.45 0.00 0.00 0.00 175.76 177.57 3ks6 s SER 6 N 1.26 6.15 -0.31 0.00 0.15 -0.20 -1.18 113.70 119.57 3ks6 s SER 6 Ca 0.03 1.24 -0.29 0.00 0.70 0.00 0.00 55.95 57.64 3ks6 s SER 6 Cb -0.14 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 3ks6 s SER 6 CO -0.06 -1.51 1.45 -2.28 1.20 0.00 0.00 173.24 172.03 3ks6 s HIS 7 N 6.03 2.39 -1.81 3.44 2.46 0.34 -0.72 115.29 127.42 3ks6 s HIS 7 Ca 0.72 0.71 0.00 0.00 0.47 0.00 0.00 55.06 56.96 3ks6 s HIS 7 Cb -0.20 -4.05 0.00 0.00 -0.13 0.00 0.00 32.58 28.20 3ks6 s HIS 7 CO 0.32 -2.21 0.00 0.54 -2.47 0.00 0.00 174.74 170.92 3ks6 n ARG 8 N 7.68 -1.68 -0.98 2.88 1.74 0.26 -0.54 116.66 126.03 3ks6 n ARG 8 Ca 0.17 1.03 0.00 0.00 -0.77 0.00 0.00 57.85 58.27 3ks6 n ARG 8 Cb 0.47 -5.68 0.00 0.00 -1.02 0.00 0.00 32.46 26.23 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 -0.98 0.81 0.00 -0.13 0.00 -1.16 -1.65 105.19 102.08 3ks6 n GLY 9 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.37 0.74 0.24 -0.02 0.00 0.30 -4.14 105.19 99.94 3ks6 n GLY 10 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.43 -0.00 2.61 2.02 -1.46 0.28 112.91 116.79 3ks6 h THR 11 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3ks6 h THR 11 Cb 0.00 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3ks6 h THR 11 CO 0.00 0.01 -0.01 0.18 0.37 0.00 0.00 175.52 176.07 3ks6 n LEU 12 N -5.36 0.19 -0.11 2.58 4.77 -0.83 -0.86 117.00 117.38 3ks6 n LEU 12 Ca 0.08 0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 3ks6 n LEU 12 Cb 0.34 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 3ks6 n LEU 12 CO 0.08 0.03 -1.24 -0.62 -1.33 0.00 0.00 177.39 174.31 3ks6 n GLU 13 N -0.96 0.54 0.00 3.23 1.02 -0.01 -4.84 120.64 119.62 3ks6 n GLU 13 Ca 0.20 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3ks6 n GLU 13 Cb 0.18 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 -3.34 0.00 0.00 -0.32 3.72 -0.62 -5.08 117.46 111.82 3ks6 n PHE 14 Ca -0.40 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 3ks6 n PHE 14 Cb 0.89 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 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 -0.15 -0.20 3.62 1.37 0.00 -0.03 -4.51 105.19 105.27 3ks6 n GLY 15 Ca 0.00 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.33 6.76 -1.38 1.61 -1.08 -1.26 -3.97 116.67 115.03 3ks6 s ASP 16 Ca 0.00 0.74 -0.04 0.00 -0.52 0.00 0.00 52.55 52.73 3ks6 s ASP 16 Cb 0.00 -2.49 0.02 0.00 -1.46 0.00 0.00 42.92 39.00 3ks6 s ASP 16 CO 0.00 -0.85 0.76 -1.20 0.52 0.00 0.00 175.17 174.40 3ks6 n SER 17 N 6.78 -2.11 -4.90 -0.34 7.64 -0.66 -4.98 113.62 115.06 3ks6 n SER 17 Ca 0.09 -0.82 -0.32 0.00 1.01 0.00 0.00 58.87 58.83 3ks6 n SER 17 Cb 0.48 -3.94 -0.05 0.00 -1.01 0.00 0.00 64.21 59.69 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 -3.59 5.25 0.29 0.44 -4.23 -1.26 -4.92 115.64 107.62 3ks6 s THR 18 Ca 0.19 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.63 3ks6 s THR 18 Cb -0.09 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.43 3ks6 s THR 18 CO 0.82 0.11 1.66 -0.65 -0.54 0.00 0.00 174.62 176.01 3ks6 h PRO 19 N 3.03 0.23 -0.10 3.99 0.11 -1.94 -1.45 132.00 135.87 3ks6 h PRO 19 Ca -0.46 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3ks6 h PRO 19 Cb 1.17 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3ks6 h PRO 19 CO 0.73 0.15 -0.09 1.25 -0.21 0.00 0.00 178.00 179.83 3ks6 h HIS 20 N 0.24 -0.22 -0.27 0.65 2.76 -1.93 -0.71 115.15 115.67 3ks6 h HIS 20 Ca 0.55 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.72 3ks6 h HIS 20 Cb 1.10 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 3ks6 h HIS 20 CO -0.24 -0.14 0.11 0.78 -1.30 0.00 0.00 177.93 177.14 3ks6 h GLY 21 N -0.11 0.42 1.58 5.26 0.00 -1.59 0.10 103.07 108.74 3ks6 h GLY 21 Ca 0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 3ks6 h GLY 21 CO -0.17 0.21 -0.22 0.74 0.00 0.00 0.00 176.54 177.11 3ks6 h PHE 22 N 0.28 0.54 -0.05 5.60 0.04 -1.27 0.11 116.94 122.20 3ks6 h PHE 22 Ca 0.09 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3ks6 h PHE 22 Cb 0.17 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 3ks6 h PHE 22 CO -0.01 0.67 -0.04 1.15 -0.60 0.00 0.00 178.31 179.48 3ks6 h THR 23 N 0.44 1.36 -0.18 -1.55 2.02 -0.97 -2.28 112.91 111.75 3ks6 h THR 23 Ca 0.07 -1.15 0.02 0.00 0.77 0.00 0.00 66.41 66.12 3ks6 h THR 23 Cb 0.62 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 3ks6 h THR 23 CO 0.04 0.31 0.03 0.00 0.37 0.00 0.00 175.52 176.28 3ks6 h ALA 24 N 0.56 0.18 -0.94 6.16 0.00 -0.88 -2.76 119.26 121.58 3ks6 h ALA 24 Ca 0.01 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ks6 h ALA 24 Cb 0.52 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3ks6 h ALA 24 CO 0.01 -0.40 0.59 1.15 0.00 0.00 0.00 179.25 180.59 3ks6 h THR 25 N 0.10 0.99 -0.08 0.00 2.02 -0.82 -2.19 112.91 112.92 3ks6 h THR 25 Ca 0.08 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 66.94 3ks6 h THR 25 Cb 0.07 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.38 3ks6 h THR 25 CO -0.11 0.18 0.09 0.00 0.37 0.00 0.00 175.52 176.05 3ks6 h ALA 26 N 1.47 1.74 -0.95 6.16 0.00 -1.10 -3.45 119.26 123.12 3ks6 h ALA 26 Ca 0.44 -0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.59 3ks6 h ALA 26 Cb 0.31 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.89 3ks6 h ALA 26 CO -0.22 -0.13 1.46 0.00 0.00 0.00 0.00 179.25 180.36 3ks6 n ALA 27 N -2.37 6.41 -3.10 0.00 0.00 -0.83 -4.68 120.51 115.94 3ks6 n ALA 27 Ca -0.01 -4.24 -0.24 0.00 0.00 0.00 0.00 53.44 48.94 3ks6 n ALA 27 Cb 0.19 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 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 0.57 3.69 -2.35 0.00 0.00 -1.26 -5.12 120.51 116.04 3ks6 n ALA 29 Ca 0.53 -4.27 -0.20 0.00 0.00 0.00 0.00 53.44 49.51 3ks6 n ALA 29 Cb 0.28 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.85 1.73 -0.10 0.00 0.05 -1.26 -4.98 118.68 111.28 3ks6 s LEU 30 Ca 0.44 -1.61 0.15 0.00 0.05 0.00 0.00 54.13 53.16 3ks6 s LEU 30 Cb 0.27 0.21 -0.23 0.00 -2.05 0.00 0.00 46.19 44.40 3ks6 s LEU 30 CO -0.10 -0.92 0.19 -0.62 -0.55 0.00 0.00 176.35 174.35 3ks6 n GLU 31 N -0.64 1.03 -3.90 1.48 4.71 -1.02 -4.61 120.64 117.69 3ks6 n GLU 31 Ca 0.01 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.16 57.00 3ks6 n GLU 31 Cb 0.64 -1.40 -0.08 0.00 -1.01 0.00 0.00 31.44 29.59 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 -2.73 0.84 -0.05 3.49 2.02 -0.97 -0.83 118.70 120.47 3ks6 s GLU 32 Ca -0.07 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 53.93 3ks6 s GLU 32 Cb 0.07 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.63 3ks6 s GLU 32 CO 0.67 -0.26 -0.14 0.54 0.02 0.00 0.00 175.26 176.10 3ks6 s VAL 33 N -3.88 1.19 -0.07 2.63 0.11 -0.13 -1.03 120.40 119.22 3ks6 s VAL 33 Ca 0.07 -0.56 -0.02 0.00 -2.93 0.00 0.00 61.98 58.54 3ks6 s VAL 33 Cb 0.05 -1.05 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3ks6 s VAL 33 CO -0.10 0.36 0.02 -0.70 -3.33 0.00 0.00 175.10 171.35 3ks6 s GLU 34 N 0.29 3.01 0.16 1.54 -6.30 0.10 -1.25 118.70 116.25 3ks6 s GLU 34 Ca -0.07 -0.41 -0.22 0.00 -2.50 0.00 0.00 54.97 51.77 3ks6 s GLU 34 Cb -0.12 -2.83 0.06 0.00 0.00 0.00 0.00 34.13 31.24 3ks6 s GLU 34 CO 0.02 0.70 0.57 -0.59 0.02 0.00 0.00 175.26 175.98 3ks6 s PHE 35 N -0.95 -0.45 0.18 5.30 -0.71 -0.67 -0.57 117.98 120.11 3ks6 s PHE 35 Ca 0.15 0.20 0.11 0.00 -1.04 0.00 0.00 56.93 56.35 3ks6 s PHE 35 Cb -0.11 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 3ks6 s PHE 35 CO 0.04 -0.85 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.36 3ks6 s ASP 36 N -2.77 3.65 0.05 1.98 1.01 -1.26 -0.82 116.67 118.51 3ks6 s ASP 36 Ca 0.02 -0.77 0.04 0.00 0.71 0.00 0.00 52.55 52.56 3ks6 s ASP 36 Cb -0.01 -0.38 -0.02 0.00 1.01 0.00 0.00 42.92 43.52 3ks6 s ASP 36 CO -0.11 0.13 -0.13 -0.76 0.21 0.00 0.00 175.17 174.51 3ks6 s LEU 37 N -2.61 2.23 -0.00 1.23 1.43 -1.22 -1.71 118.68 118.03 3ks6 s LEU 37 Ca 0.21 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3ks6 s LEU 37 Cb -0.08 -0.47 -0.00 0.00 0.03 0.00 0.00 46.19 45.66 3ks6 s LEU 37 CO 0.11 -0.06 0.07 -1.00 0.23 0.00 0.00 176.35 175.70 3ks6 s HIS 38 N -1.11 0.08 0.32 0.29 3.76 -0.30 -4.51 115.29 113.82 3ks6 s HIS 38 Ca -0.02 -0.17 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 3ks6 s HIS 38 Cb -0.09 -0.08 -0.09 0.00 1.11 0.00 0.00 32.58 33.44 3ks6 s HIS 38 CO 0.01 -0.20 0.73 -1.25 -0.85 0.00 0.00 174.74 173.18 3ks6 s PRO 39 N -1.09 3.99 0.44 8.40 0.04 -1.26 -0.42 135.00 145.11 3ks6 s PRO 39 Ca -0.12 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.59 3ks6 s PRO 39 Cb -0.07 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3ks6 s PRO 39 CO 0.00 0.16 0.65 0.95 0.04 0.00 0.00 177.00 178.80 3ks6 s THR 40 N -1.99 3.84 0.46 1.26 -4.23 -0.86 -2.83 115.64 111.30 3ks6 s THR 40 Ca 0.54 -0.60 0.17 0.00 -1.18 0.00 0.00 61.69 60.62 3ks6 s THR 40 Cb -0.10 -3.41 0.34 0.00 1.34 0.00 0.00 72.50 70.67 3ks6 s THR 40 CO 0.18 -0.26 1.99 0.00 -0.54 0.00 0.00 174.62 175.98 3ks6 h ALA 41 N 0.44 2.13 -0.75 3.99 0.00 -1.52 -2.35 119.26 121.19 3ks6 h ALA 41 Ca -0.45 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 3ks6 h ALA 41 Cb 1.26 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 3ks6 h ALA 41 CO 0.56 -0.26 0.32 -0.40 0.00 0.00 0.00 179.25 179.47 3ks6 n ASP 42 N -4.46 4.33 -0.09 0.00 5.75 -1.26 -4.97 116.55 115.86 3ks6 n ASP 42 Ca 0.09 -3.36 -0.01 0.00 -0.01 0.00 0.00 54.79 51.50 3ks6 n ASP 42 Cb 0.42 -0.75 -0.00 0.00 -1.03 0.00 0.00 41.12 39.75 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 0.50 3.93 6.12 0.00 -0.89 -4.98 105.19 109.37 3ks6 n GLY 43 Ca 0.44 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.01 3.10 -0.15 4.61 0.00 -1.26 -4.88 121.76 121.16 3ks6 s ALA 44 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3ks6 s ALA 44 Cb 0.00 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.54 3ks6 s ALA 44 CO 0.00 -1.39 -0.10 0.42 0.00 0.00 0.00 175.76 174.69 3ks6 s ILE 45 N -3.30 1.35 -0.04 0.00 1.01 -1.26 -2.02 121.20 116.94 3ks6 s ILE 45 Ca 0.61 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3ks6 s ILE 45 Cb -0.10 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3ks6 s ILE 45 CO 0.45 0.30 -0.04 -0.69 0.00 0.00 0.00 174.94 174.96 3ks6 s VAL 46 N 1.56 3.87 -0.49 2.92 1.01 0.44 -1.35 120.40 128.36 3ks6 s VAL 46 Ca 0.03 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 3ks6 s VAL 46 Cb -0.14 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.63 3ks6 s VAL 46 CO -0.09 0.50 0.80 -0.69 0.00 0.00 0.00 175.10 175.61 3ks6 s VAL 47 N -0.93 4.62 -0.18 2.92 1.01 -1.26 -1.14 120.40 125.43 3ks6 s VAL 47 Ca 0.15 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 3ks6 s VAL 47 Cb -0.11 -4.38 0.08 0.00 0.00 0.00 0.00 36.38 31.97 3ks6 s VAL 47 CO 0.05 -0.85 0.77 -2.28 0.00 0.00 0.00 175.10 172.79 3ks6 s HIS 48 N 3.35 -0.66 -0.00 5.22 5.04 -0.69 -4.93 115.29 122.60 3ks6 s HIS 48 Ca 0.27 1.43 -0.02 0.00 -1.54 0.00 0.00 55.06 55.20 3ks6 s HIS 48 Cb -0.14 0.35 -0.01 0.00 0.04 0.00 0.00 32.58 32.82 3ks6 s HIS 48 CO 0.19 -0.44 0.42 1.25 -2.34 0.00 0.00 174.74 173.83 3ks6 h HIS 49 N 3.96 -0.06 -4.22 3.88 2.76 -1.94 -3.35 115.15 116.19 3ks6 h HIS 49 Ca -0.27 -0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.39 3ks6 h HIS 49 Cb 1.16 0.02 0.10 0.00 1.55 0.00 0.00 27.41 30.23 3ks6 h HIS 49 CO 0.37 -0.04 0.37 -0.51 -1.30 0.00 0.00 177.93 176.82 3ks6 s ASP 50 N -2.90 5.20 0.00 3.26 1.01 -1.26 -4.90 116.67 117.08 3ks6 s ASP 50 Ca -0.01 1.93 0.22 0.00 0.71 0.00 0.00 52.55 55.40 3ks6 s ASP 50 Cb 0.00 -2.54 1.16 0.00 1.01 0.00 0.00 42.92 42.55 3ks6 s ASP 50 CO 0.03 -1.57 1.70 -0.81 0.21 0.00 0.00 175.17 174.74 3ks6 n PRO 51 N -2.48 0.40 -4.42 8.23 -0.04 -1.26 -4.74 135.00 130.69 3ks6 n PRO 51 Ca 0.10 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 3ks6 n PRO 51 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.44 2.25 -1.55 0.52 -4.23 -1.26 -0.83 115.64 108.10 3ks6 s THR 52 Ca 0.24 -2.17 0.28 0.00 -1.18 0.00 0.00 61.69 58.85 3ks6 s THR 52 Cb 0.15 -2.14 0.37 0.00 1.34 0.00 0.00 72.50 72.22 3ks6 s THR 52 CO 0.31 -0.31 1.78 0.18 -0.54 0.00 0.00 174.62 176.05 3ks6 n LEU 53 N -0.13 0.52 -0.03 4.79 4.77 -0.59 -4.57 117.00 121.76 3ks6 n LEU 53 Ca -0.09 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 3ks6 n LEU 53 Cb 0.58 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3ks6 n LEU 53 CO 0.33 0.10 0.86 0.44 -1.33 0.00 0.00 177.39 177.79 3ks6 h ASP 54 N 0.56 -0.07 -0.35 -1.43 5.19 -1.86 -2.33 116.42 116.14 3ks6 h ASP 54 Ca 0.00 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.33 3ks6 h ASP 54 Cb 0.41 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 3ks6 h ASP 54 CO 0.00 -0.01 -0.21 0.00 -3.12 0.00 0.00 179.24 175.89 3ks6 h ALA 55 N 1.15 0.83 -0.10 3.45 0.00 -2.00 -3.32 119.26 119.27 3ks6 h ALA 55 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ks6 h ALA 55 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ks6 h ALA 55 CO -0.14 0.64 0.00 0.25 0.00 0.00 0.00 179.25 180.00 3ks6 n THR 56 N -4.11 0.40 -4.49 0.00 -2.24 -1.21 -4.98 114.28 97.65 3ks6 n THR 56 Ca 0.00 -0.70 -0.25 0.00 -2.27 0.00 0.00 64.05 60.83 3ks6 n THR 56 Cb 0.44 0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 3ks6 n THR 56 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ks6 s THR 57 N -0.79 0.53 -0.05 4.28 -4.23 -0.88 0.19 115.64 114.70 3ks6 s THR 57 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3ks6 s THR 57 Cb 0.07 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.59 3ks6 s THR 57 CO 0.10 0.00 1.60 -0.90 -0.54 0.00 0.00 174.62 174.88 3ks6 n ASP 58 N -1.33 4.47 -3.53 3.99 5.75 -1.05 -4.78 116.55 120.08 3ks6 n ASP 58 Ca -0.04 -2.35 -0.11 0.00 -0.01 0.00 0.00 54.79 52.28 3ks6 n ASP 58 Cb 0.65 -0.86 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 3ks6 n ASP 58 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ks6 s THR 60 N -0.33 0.00 0.00 2.12 -4.23 -1.26 -5.00 115.64 106.94 3ks6 s THR 60 Ca 0.05 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 3ks6 s THR 60 Cb 0.04 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.63 3ks6 s THR 60 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3ks6 n GLY 61 N -0.40 2.88 3.67 3.99 0.00 -1.26 -4.81 105.19 109.26 3ks6 n GLY 61 Ca -0.14 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 -2.78 3.54 0.27 4.61 0.00 -1.26 -1.54 121.76 124.60 3ks6 s ALA 62 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 3ks6 s ALA 62 Cb 0.00 -3.42 0.57 0.00 0.00 0.00 0.00 23.12 20.27 3ks6 s ALA 62 CO 0.00 -0.79 1.75 0.82 0.00 0.00 0.00 175.76 177.54 3ks6 h ILE 63 N 5.26 0.68 0.00 0.00 2.04 -1.30 -0.24 117.51 123.95 3ks6 h ILE 63 Ca -0.26 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3ks6 h ILE 63 Cb 1.11 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3ks6 h ILE 63 CO 0.90 0.11 -0.03 1.62 0.00 0.00 0.00 178.15 180.74 3ks6 h VAL 64 N 0.58 0.32 -0.44 1.67 3.04 -1.75 -3.33 116.25 116.34 3ks6 h VAL 64 Ca 0.48 -0.16 -0.27 0.00 -1.01 0.00 0.00 66.70 65.74 3ks6 h VAL 64 Cb 0.73 1.11 -0.13 0.00 -2.01 0.00 0.00 31.29 31.00 3ks6 h VAL 64 CO -0.39 0.03 0.35 0.47 -1.01 0.00 0.00 177.57 177.01 3ks6 n ASP 65 N -3.49 5.16 -4.52 3.17 8.00 -0.10 -2.08 116.55 122.69 3ks6 n ASP 65 Ca -0.02 -2.89 -0.26 0.00 0.71 0.00 0.00 54.79 52.32 3ks6 n ASP 65 Cb 0.13 -0.90 -0.10 0.00 -0.02 0.00 0.00 41.12 40.23 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 -1.85 2.86 0.29 -3.53 -4.23 -1.26 -4.76 115.64 103.16 3ks6 s THR 67 Ca 0.27 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 3ks6 s THR 67 Cb 0.22 -2.43 0.29 0.00 1.34 0.00 0.00 72.50 71.92 3ks6 s THR 67 CO 0.02 -0.18 1.80 0.25 -0.54 0.00 0.00 174.62 175.97 3ks6 h LEU 68 N 2.81 0.83 -1.08 4.79 5.85 -1.93 -0.88 115.31 125.70 3ks6 h LEU 68 Ca -0.45 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 3ks6 h LEU 68 Cb 1.22 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 3ks6 h LEU 68 CO 0.54 0.35 0.50 0.00 -0.34 0.00 0.00 178.44 179.49 3ks6 h ALA 69 N 1.60 1.31 0.06 1.25 0.00 -2.02 0.22 119.26 121.68 3ks6 h ALA 69 Ca 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 3ks6 h ALA 69 Cb 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ks6 h ALA 69 CO -0.34 0.59 -0.03 -0.22 0.00 0.00 0.00 179.25 179.26 3ks6 h LYS 70 N 1.16 -0.08 -0.84 0.00 1.63 -1.67 -2.89 116.57 113.88 3ks6 h LYS 70 Ca 0.30 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.22 3ks6 h LYS 70 Cb -0.05 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.52 3ks6 h LYS 70 CO -0.06 0.20 0.47 0.28 -3.45 0.00 0.00 179.45 176.89 3ks6 h VAL 71 N -0.35 0.86 0.00 2.00 2.07 -0.92 -1.47 116.25 118.44 3ks6 h VAL 71 Ca -0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3ks6 h VAL 71 Cb 0.31 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3ks6 h VAL 71 CO 0.01 0.14 0.00 0.11 0.02 0.00 0.00 177.57 177.85 3ks6 h LYS 72 N 0.75 0.00 0.00 1.57 1.79 -0.85 -1.56 116.57 118.28 3ks6 h LYS 72 Ca 0.42 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.89 3ks6 h LYS 72 Cb 0.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3ks6 h LYS 72 CO -0.28 0.00 -0.01 1.79 -1.08 0.00 0.00 179.45 179.87 3ks6 h THR 73 N 0.00 0.01 -3.98 -0.16 1.35 -1.05 -3.46 112.91 105.62 3ks6 h THR 73 Ca 0.00 -0.84 -0.52 0.00 -0.55 0.00 0.00 66.41 64.50 3ks6 h THR 73 Cb 0.28 1.83 0.08 0.00 -1.73 0.00 0.00 68.15 68.61 3ks6 h THR 73 CO 0.00 0.01 0.55 0.00 -0.25 0.00 0.00 175.52 175.82 3ks6 s ALA 74 N -3.37 3.08 -0.11 6.62 0.00 -0.59 -5.05 121.76 122.34 3ks6 s ALA 74 Ca 0.05 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3ks6 s ALA 74 Cb 0.06 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3ks6 s ALA 74 CO 0.63 -0.80 -0.18 0.99 0.00 0.00 0.00 175.76 176.40 3ks6 s THR 75 N -1.39 2.57 0.03 0.00 2.01 -1.26 -4.27 115.64 113.33 3ks6 s THR 75 Ca 0.61 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 3ks6 s THR 75 Cb -0.34 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 3ks6 s THR 75 CO 0.42 0.54 0.93 -0.63 -0.69 0.00 0.00 174.62 175.20 3ks6 s ILE 76 N 0.31 4.75 0.29 1.82 1.01 -0.38 -2.52 121.20 126.49 3ks6 s ILE 76 Ca -0.14 1.98 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 3ks6 s ILE 76 Cb -0.17 -4.28 -0.11 0.00 0.01 0.00 0.00 42.46 37.91 3ks6 s ILE 76 CO 0.07 0.24 1.55 -0.13 0.00 0.00 0.00 174.94 176.67 3ks6 s ARG 77 N 0.58 4.15 -0.35 2.79 0.52 0.13 -1.10 118.95 125.67 3ks6 s ARG 77 Ca 0.48 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 58.21 3ks6 s ARG 77 Cb -0.21 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.22 3ks6 s ARG 77 CO 0.27 -0.57 0.00 0.66 0.02 0.00 0.00 175.30 175.68 3ks6 n TYR 78 N 2.04 0.00 -0.58 -0.53 4.01 -1.26 -4.56 117.16 116.27 3ks6 n TYR 78 Ca 0.07 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.90 3ks6 n TYR 78 Cb 0.38 -1.51 0.33 0.00 -0.31 0.00 0.00 39.34 38.23 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 -0.77 2.84 4.29 2.72 0.00 -0.26 -4.56 105.19 109.45 3ks6 n GLY 79 Ca -0.03 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 0.99 -1.75 -0.20 4.61 0.00 -1.26 -0.73 120.51 122.17 3ks6 n ALA 80 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ks6 n ALA 80 Cb 0.82 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.01 1.08 3.76 0.00 0.00 -1.26 -5.06 105.19 101.69 3ks6 n GLY 81 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3ks6 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks6 s SER 82 N -2.94 5.01 0.29 1.61 1.04 0.09 -4.82 113.70 113.97 3ks6 s SER 82 Ca 0.00 2.14 0.08 0.00 0.48 0.00 0.00 55.95 58.65 3ks6 s SER 82 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3ks6 s SER 82 CO 0.00 -1.70 0.12 -1.00 0.98 0.00 0.00 173.24 171.63 3ks6 s HIS 83 N -2.10 2.82 0.00 5.02 0.09 -1.26 -1.25 115.29 118.61 3ks6 s HIS 83 Ca 0.70 -0.25 0.00 0.00 -0.00 0.00 0.00 55.06 55.52 3ks6 s HIS 83 Cb -0.24 -1.43 0.00 0.00 -0.00 0.00 0.00 32.58 30.91 3ks6 s HIS 83 CO 0.39 0.47 0.00 -2.30 -0.00 0.00 0.00 174.74 173.31 3ks6 n PRO 84 N -1.08 0.53 -4.46 8.40 -0.02 -1.26 -4.77 135.00 132.34 3ks6 n PRO 84 Ca -0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.20 3ks6 n PRO 84 Cb 0.59 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.97 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 -0.32 1.70 0.23 3.45 -4.23 -1.26 -4.85 115.64 110.35 3ks6 s THR 86 Ca 0.00 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.32 3ks6 s THR 86 Cb 0.00 -2.55 0.21 0.00 1.34 0.00 0.00 72.50 71.50 3ks6 s THR 86 CO 0.00 -0.24 1.89 0.25 -0.54 0.00 0.00 174.62 175.99 3ks6 h LEU 87 N 2.20 0.96 -0.43 4.79 5.85 -1.56 -1.97 115.31 125.15 3ks6 h LEU 87 Ca -0.41 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.33 3ks6 h LEU 87 Cb 1.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3ks6 h LEU 87 CO 0.69 0.68 0.24 -0.08 -0.34 0.00 0.00 178.44 179.62 3ks6 h GLU 88 N 1.13 0.46 -0.87 1.25 4.81 -1.95 0.28 114.58 119.69 3ks6 h GLU 88 Ca 0.33 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3ks6 h GLU 88 Cb -0.06 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 3ks6 h GLU 88 CO -0.09 0.31 0.46 0.93 -0.73 0.00 0.00 179.01 179.88 3ks6 h GLU 89 N 0.48 1.23 -0.25 1.92 5.08 -1.85 -1.45 114.58 119.73 3ks6 h GLU 89 Ca 0.18 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3ks6 h GLU 89 Cb 0.05 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3ks6 h GLU 89 CO -0.10 0.91 0.08 1.25 -1.00 0.00 0.00 179.01 180.15 3ks6 h LEU 90 N 1.23 0.36 -1.13 1.33 5.85 -0.70 -2.95 115.31 119.29 3ks6 h LEU 90 Ca 0.30 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3ks6 h LEU 90 Cb 0.06 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3ks6 h LEU 90 CO -0.05 0.47 0.60 0.00 -0.34 0.00 0.00 178.44 179.12 3ks6 h ALA 92 N 1.50 2.03 0.00 0.00 0.00 -1.10 -1.26 119.26 120.43 3ks6 h ALA 92 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3ks6 h ALA 92 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ks6 h ALA 92 CO -0.15 -0.23 0.00 -0.07 0.00 0.00 0.00 179.25 178.80 3ks6 h LEU 93 N 0.00 0.00 -1.68 0.00 3.38 -1.33 -3.32 115.31 112.36 3ks6 h LEU 93 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ks6 h LEU 93 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ks6 h LEU 93 CO -0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 3ks6 n TYR 94 N -2.58 0.04 0.08 1.13 4.02 -0.48 -4.71 117.16 114.66 3ks6 n TYR 94 Ca 0.05 -0.04 0.17 0.00 -0.01 0.00 0.00 57.90 58.08 3ks6 n TYR 94 Cb 0.47 -0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.48 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 2.97 0.76 -0.34 -0.72 -1.51 -1.65 -1.28 116.25 114.50 3ks6 h VAL 95 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 65.21 3ks6 h VAL 95 Cb 0.65 0.80 -0.26 0.00 -2.13 0.00 0.00 31.29 30.35 3ks6 h VAL 95 CO 0.00 0.00 -0.76 -0.90 -1.23 0.00 0.00 177.57 174.68 3ks6 n ASP 96 N -4.35 2.85 -4.55 4.19 5.75 -1.26 -5.03 116.55 114.15 3ks6 n ASP 96 Ca 0.06 -3.40 -0.33 0.00 -0.01 0.00 0.00 54.79 51.11 3ks6 n ASP 96 Cb 0.47 -0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 40.02 3ks6 n ASP 96 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3ks6 s SER 97 N -3.30 4.44 0.00 -1.12 0.15 -0.48 -5.01 113.70 108.37 3ks6 s SER 97 Ca 0.41 -0.11 0.30 0.00 0.70 0.00 0.00 55.95 57.26 3ks6 s SER 97 Cb 0.38 -1.04 1.63 0.00 -1.71 0.00 0.00 66.02 65.28 3ks6 s SER 97 CO -0.04 0.34 2.08 1.41 1.20 0.00 0.00 173.24 178.23 3ks6 n HIS 98 N 2.10 0.00 -2.45 3.44 8.25 -1.26 -4.85 115.22 120.45 3ks6 n HIS 98 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 3ks6 n HIS 98 Cb 0.53 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 3ks6 n HIS 98 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ks6 s VAL 99 N -2.32 4.20 0.70 1.59 1.01 -1.26 -4.93 120.40 119.39 3ks6 s VAL 99 Ca 0.36 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 63.84 3ks6 s VAL 99 Cb 0.20 -3.99 0.09 0.00 0.00 0.00 0.00 36.38 32.68 3ks6 s VAL 99 CO 0.41 0.03 0.98 0.20 0.00 0.00 0.00 175.10 176.72 3ks6 s ASN 100 N 1.38 4.63 -0.12 3.32 0.01 -0.01 -4.87 114.94 119.28 3ks6 s ASN 100 Ca 0.57 0.09 -0.04 0.00 -0.71 0.00 0.00 52.86 52.77 3ks6 s ASN 100 Cb -0.26 -0.67 -0.04 0.00 0.41 0.00 0.00 41.25 40.70 3ks6 s ASN 100 CO 0.24 -1.67 0.03 -0.36 -1.51 0.00 0.00 177.10 173.83 3ks6 s PHE 101 N -3.16 3.23 -0.33 2.20 0.40 0.33 -0.95 117.98 119.70 3ks6 s PHE 101 Ca 0.62 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.14 3ks6 s PHE 101 Cb -0.08 -1.90 0.10 0.00 0.51 0.00 0.00 43.02 41.64 3ks6 s PHE 101 CO 0.44 0.38 0.05 0.50 0.70 0.00 0.00 175.22 177.28 3ks6 s ARG 102 N -0.47 1.38 -0.28 0.44 3.52 -0.38 -0.90 118.95 122.24 3ks6 s ARG 102 Ca 0.09 -1.66 -0.09 0.00 -0.13 0.00 0.00 55.73 53.95 3ks6 s ARG 102 Cb -0.12 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 3ks6 s ARG 102 CO 0.02 -0.91 0.12 0.00 -0.81 0.00 0.00 175.30 173.72 3ks6 s GLU 104 N 1.62 4.24 -0.48 0.00 2.12 0.00 -0.92 118.70 125.28 3ks6 s GLU 104 Ca 0.05 0.12 -0.18 0.00 0.36 0.00 0.00 54.97 55.32 3ks6 s GLU 104 Cb -0.16 -3.42 0.05 0.00 0.26 0.00 0.00 34.13 30.86 3ks6 s GLU 104 CO 0.05 0.25 0.57 0.42 -0.54 0.00 0.00 175.26 176.01 3ks6 s ILE 105 N 0.42 4.95 0.02 -3.70 -1.09 -0.27 -3.38 121.20 118.15 3ks6 s ILE 105 Ca 0.17 -0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 3ks6 s ILE 105 Cb -0.13 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3ks6 s ILE 105 CO 0.04 -0.70 -0.00 -0.54 -1.23 0.00 0.00 174.94 172.51 3ks6 s LYS 106 N 2.44 2.71 0.99 2.79 1.02 -1.26 -4.47 119.74 123.95 3ks6 s LYS 106 Ca 0.14 -0.67 -0.17 0.00 0.02 0.00 0.00 55.97 55.29 3ks6 s LYS 106 Cb -0.19 -2.63 0.22 0.00 -0.52 0.00 0.00 37.83 34.72 3ks6 s LYS 106 CO 0.12 0.60 1.35 -1.25 -0.92 0.00 0.00 175.35 175.25 3ks6 s PRO 107 N -1.73 0.40 0.68 -1.68 0.04 -1.26 -4.64 135.00 126.81 3ks6 s PRO 107 Ca 0.21 -0.51 -0.09 0.00 0.04 0.00 0.00 61.00 60.64 3ks6 s PRO 107 Cb -0.12 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.75 3ks6 s PRO 107 CO 0.12 -2.56 0.93 0.41 0.04 0.00 0.00 177.00 175.93 3ks6 n GLY 108 N -3.85 -0.83 0.32 0.56 0.00 -0.37 -4.71 105.19 96.32 3ks6 n GLY 108 Ca 0.17 -1.79 0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.29 0.47 0.00 1.61 2.07 -1.88 0.24 116.25 117.48 3ks6 h VAL 109 Ca -0.30 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3ks6 h VAL 109 Cb 0.89 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3ks6 h VAL 109 CO 0.24 0.08 0.00 -0.90 0.02 0.00 0.00 177.57 177.01 3ks6 n ASP 110 N -5.00 0.00 -0.01 0.57 5.75 -1.26 -4.87 116.55 111.73 3ks6 n ASP 110 Ca 0.24 -1.22 -0.00 0.00 -0.01 0.00 0.00 54.79 53.80 3ks6 n ASP 110 Cb 0.71 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.80 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 0.58 0.39 3.79 6.12 0.00 0.86 -5.01 105.19 111.92 3ks6 n GLY 111 Ca 0.12 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.02 3.88 0.60 0.99 1.43 -1.26 -4.78 118.68 119.52 3ks6 s LEU 112 Ca 0.00 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.00 3ks6 s LEU 112 Cb 0.00 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3ks6 s LEU 112 CO 0.00 0.22 1.26 -2.84 0.23 0.00 0.00 176.35 175.23 3ks6 s PRO 113 N -2.06 2.85 -0.06 1.29 0.02 -1.26 -1.23 135.00 134.56 3ks6 s PRO 113 Ca 0.26 1.98 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 3ks6 s PRO 113 Cb -0.12 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 3ks6 s PRO 113 CO 0.18 -1.34 1.33 0.71 -0.33 0.00 0.00 177.00 177.55 3ks6 s TYR 114 N -1.47 2.88 0.18 6.54 2.02 -1.26 -4.82 117.35 121.42 3ks6 s TYR 114 Ca 0.78 0.93 -0.31 0.00 -0.37 0.00 0.00 57.07 58.10 3ks6 s TYR 114 Cb -0.35 -3.58 -0.10 0.00 -0.40 0.00 0.00 41.96 37.54 3ks6 s TYR 114 CO 0.38 -2.05 1.48 -1.21 -1.57 0.00 0.00 175.55 172.57 3ks6 s GLU 115 N 2.73 4.26 0.00 -0.62 0.41 -1.26 -2.54 118.70 121.68 3ks6 s GLU 115 Ca 0.60 2.27 0.00 0.00 -0.41 0.00 0.00 54.97 57.43 3ks6 s GLU 115 Cb -0.27 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 3ks6 s GLU 115 CO 0.23 -0.50 0.00 0.41 -0.49 0.00 0.00 175.26 174.91 3ks6 n GLY 116 N 3.15 0.62 0.18 -1.39 0.00 -1.26 -4.91 105.19 101.59 3ks6 n GLY 116 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 0.76 -0.61 1.61 3.57 -1.91 -3.00 116.94 117.36 3ks6 h PHE 117 Ca 0.00 -0.37 0.08 0.00 3.53 0.00 0.00 57.97 61.21 3ks6 h PHE 117 Cb 0.06 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.63 3ks6 h PHE 117 CO 0.03 1.18 0.27 0.28 -2.23 0.00 0.00 178.31 177.84 3ks6 h VAL 118 N 0.34 0.83 -0.70 1.41 2.07 -1.91 -0.04 116.25 118.25 3ks6 h VAL 118 Ca -0.07 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3ks6 h VAL 118 Cb 1.47 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3ks6 h VAL 118 CO 0.16 0.09 0.39 0.00 0.02 0.00 0.00 177.57 178.23 3ks6 h ALA 119 N 1.39 0.90 -0.49 1.67 0.00 -1.95 -1.84 119.26 118.94 3ks6 h ALA 119 Ca 0.30 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3ks6 h ALA 119 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ks6 h ALA 119 CO -0.26 0.41 -0.12 -0.07 0.00 0.00 0.00 179.25 179.21 3ks6 h LEU 120 N 0.96 0.90 -0.24 0.00 3.38 -1.21 -1.39 115.31 117.72 3ks6 h LEU 120 Ca 0.25 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3ks6 h LEU 120 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3ks6 h LEU 120 CO -0.04 1.03 0.04 0.58 0.09 0.00 0.00 178.44 180.14 3ks6 h VAL 121 N 0.81 1.22 -0.47 1.22 2.07 -0.80 -0.63 116.25 119.67 3ks6 h VAL 121 Ca 0.13 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3ks6 h VAL 121 Cb 0.64 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3ks6 h VAL 121 CO 0.04 0.24 0.25 0.40 0.02 0.00 0.00 177.57 178.52 3ks6 h ILE 122 N 0.21 1.17 -0.92 4.57 2.04 -1.28 -0.37 117.51 122.93 3ks6 h ILE 122 Ca 0.07 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3ks6 h ILE 122 Cb 0.31 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3ks6 h ILE 122 CO 0.00 0.18 0.61 0.00 0.00 0.00 0.00 178.15 178.95 3ks6 h ALA 123 N 1.10 1.18 -0.13 1.87 0.00 -1.18 -0.74 119.26 121.36 3ks6 h ALA 123 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ks6 h ALA 123 Cb 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3ks6 h ALA 123 CO -0.03 0.56 -0.01 0.78 0.00 0.00 0.00 179.25 180.56 3ks6 h GLY 124 N 1.24 0.24 0.86 0.00 0.00 -0.48 -1.18 103.07 103.76 3ks6 h GLY 124 Ca 0.34 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.52 3ks6 h GLY 124 CO -0.08 0.17 0.53 1.41 0.00 0.00 0.00 176.54 178.57 3ks6 h LEU 125 N -0.05 0.87 -0.35 3.11 3.38 -0.96 -2.06 115.31 119.25 3ks6 h LEU 125 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ks6 h LEU 125 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ks6 h LEU 125 CO 0.01 0.60 0.19 -0.08 0.09 0.00 0.00 178.44 179.24 3ks6 h GLU 126 N 1.02 0.49 -0.92 1.13 4.57 -0.99 -1.66 114.58 118.22 3ks6 h GLU 126 Ca 0.33 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.55 3ks6 h GLU 126 Cb 0.03 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.45 3ks6 h GLU 126 CO -0.12 0.41 0.56 -0.09 -1.18 0.00 0.00 179.01 178.59 3ks6 h ARG 127 N 0.44 0.92 -0.57 1.92 2.43 -0.59 -0.49 114.38 118.44 3ks6 h ARG 127 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3ks6 h ARG 127 Cb 0.07 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3ks6 h ARG 127 CO -0.02 0.61 0.00 0.72 -1.51 0.00 0.00 179.97 179.77 3ks6 n HIS 128 N -4.64 0.88 -2.87 2.20 -0.00 -0.83 -5.11 115.22 104.85 3ks6 n HIS 128 Ca 0.15 -0.37 -0.07 0.00 -0.00 0.00 0.00 57.72 57.44 3ks6 n HIS 128 Cb 0.27 -0.13 0.01 0.00 -0.00 0.00 0.00 29.99 30.14 3ks6 n HIS 128 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3ks6 n SER 129 N 0.72 -7.88 0.00 0.41 7.64 -0.19 -5.01 113.62 109.31 3ks6 n SER 129 Ca 0.17 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.49 3ks6 n SER 129 Cb 0.56 -5.35 0.00 0.00 -1.01 0.00 0.00 64.21 58.42 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 -0.52 0.00 0.02 -3.43 7.94 -1.16 -4.87 117.00 114.98 3ks6 n LEU 131 Ca 0.10 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.09 3ks6 n LEU 131 Cb 0.46 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.80 3ks6 n LEU 131 CO 0.48 0.00 0.79 -0.62 -1.11 0.00 0.00 177.39 176.93 3ks6 n GLU 132 N 0.00 0.03 -0.45 1.96 -0.58 -1.26 -1.35 120.64 118.99 3ks6 n GLU 132 Ca 0.00 0.23 0.08 0.00 -0.42 0.00 0.00 57.16 57.06 3ks6 n GLU 132 Cb 0.00 -1.56 0.28 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.62 3.29 -4.69 3.49 1.74 -1.26 -5.01 116.66 112.60 3ks6 n ARG 133 Ca 0.04 -2.64 -0.33 0.00 -0.77 0.00 0.00 57.85 54.14 3ks6 n ARG 133 Cb 0.21 -1.70 -0.13 0.00 -1.02 0.00 0.00 32.46 29.82 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 -1.81 3.38 -0.11 0.55 2.01 -0.46 -0.51 115.64 118.68 3ks6 s THR 134 Ca 0.41 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 3ks6 s THR 134 Cb 0.27 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 3ks6 s THR 134 CO 0.19 0.55 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.69 3ks6 s THR 135 N -0.16 3.47 -0.08 -0.82 2.01 -0.08 -4.33 115.64 115.64 3ks6 s THR 135 Ca 0.01 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 3ks6 s THR 135 Cb -0.13 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3ks6 s THR 135 CO 0.03 0.54 0.11 -0.36 -0.69 0.00 0.00 174.62 174.25 3ks6 s PHE 136 N -0.06 3.46 0.17 4.92 0.08 0.10 -1.35 117.98 125.29 3ks6 s PHE 136 Ca -0.01 0.39 0.06 0.00 0.12 0.00 0.00 56.93 57.50 3ks6 s PHE 136 Cb -0.14 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3ks6 s PHE 136 CO 0.03 0.64 -0.13 -1.54 -0.10 0.00 0.00 175.22 174.12 3ks6 s SER 137 N -1.19 2.24 -0.09 1.36 1.04 -0.10 -0.73 113.70 116.23 3ks6 s SER 137 Ca 0.17 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.33 3ks6 s SER 137 Cb -0.12 -0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.02 3ks6 s SER 137 CO 0.07 -0.21 0.89 -0.55 0.98 0.00 0.00 173.24 174.42 3ks6 s SER 138 N -3.08 -0.44 0.38 7.02 0.15 -1.06 -1.11 113.70 115.56 3ks6 s SER 138 Ca 0.18 0.38 0.23 0.00 0.70 0.00 0.00 55.95 57.44 3ks6 s SER 138 Cb -0.01 0.38 0.26 0.00 -1.71 0.00 0.00 66.02 64.95 3ks6 s SER 138 CO 0.04 -0.48 1.48 -0.26 1.20 0.00 0.00 173.24 175.22 3ks6 h PHE 139 N 2.53 0.00 -3.55 3.44 -1.00 -1.78 -0.56 116.94 116.02 3ks6 h PHE 139 Ca -0.22 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 59.95 3ks6 h PHE 139 Cb 1.18 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 40.61 3ks6 h PHE 139 CO 0.30 0.01 -0.33 -0.51 -1.61 0.00 0.00 178.31 176.17 3ks6 s LEU 140 N -6.03 4.13 0.42 1.54 1.02 -1.26 -4.79 118.68 113.71 3ks6 s LEU 140 Ca 0.05 0.32 0.09 0.00 0.02 0.00 0.00 54.13 54.61 3ks6 s LEU 140 Cb 0.06 -2.33 0.91 0.00 0.02 0.00 0.00 46.19 44.85 3ks6 s LEU 140 CO 0.70 -0.03 2.04 -0.07 0.02 0.00 0.00 176.35 179.01 3ks6 h LEU 141 N 7.68 0.34 -0.91 1.79 3.38 -1.97 -1.17 115.31 124.45 3ks6 h LEU 141 Ca -0.36 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3ks6 h LEU 141 Cb 1.17 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 3ks6 h LEU 141 CO 0.68 0.30 0.59 0.00 0.09 0.00 0.00 178.44 180.10 3ks6 h ALA 142 N 1.76 1.22 0.00 1.53 0.00 -2.01 -0.68 119.26 121.08 3ks6 h ALA 142 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ks6 h ALA 142 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ks6 h ALA 142 CO -0.01 0.42 0.00 0.43 0.00 0.00 0.00 179.25 180.09 3ks6 n SER 143 N -4.53 2.64 0.00 0.00 7.64 -0.44 -1.71 113.62 117.22 3ks6 n SER 143 Ca 0.12 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.41 3ks6 n SER 143 Cb 0.11 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 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 1.00 0.00 -0.29 6.43 8.00 -0.26 -0.98 116.55 130.44 3ks6 n ASP 145 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 3ks6 n ASP 145 Cb 0.35 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.52 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 1.06 -0.77 -1.24 5.08 -1.58 -2.67 114.58 114.45 3ks6 h GLU 146 Ca 0.00 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3ks6 h GLU 146 Cb 0.00 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 28.98 3ks6 h GLU 146 CO 0.00 0.72 0.35 -0.07 -1.00 0.00 0.00 179.01 179.01 3ks6 h LEU 147 N 1.08 1.02 -1.35 1.33 3.38 -1.34 -1.85 115.31 117.59 3ks6 h LEU 147 Ca 0.29 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3ks6 h LEU 147 Cb -0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 3ks6 h LEU 147 CO -0.06 0.88 0.46 -0.25 0.09 0.00 0.00 178.44 179.56 3ks6 h TRP 148 N 1.11 0.83 0.02 1.13 7.01 -1.73 -0.41 115.95 123.90 3ks6 h TRP 148 Ca 0.26 0.02 -0.20 0.00 2.11 0.00 0.00 58.89 61.08 3ks6 h TRP 148 Cb 0.15 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 3ks6 h TRP 148 CO 0.02 0.50 -0.96 0.87 -2.79 0.00 0.00 178.44 176.08 3ks6 h LYS 149 N 0.88 0.07 0.00 2.65 1.57 -1.16 -3.38 116.57 117.20 3ks6 h LYS 149 Ca 0.26 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3ks6 h LYS 149 Cb -0.02 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3ks6 h LYS 149 CO -0.07 0.97 -1.43 0.00 -0.57 0.00 0.00 179.45 178.35 3ks6 n ALA 150 N -2.40 3.00 -3.15 3.86 0.00 -0.71 -4.99 120.51 116.11 3ks6 n ALA 150 Ca -0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 3ks6 n ALA 150 Cb 0.88 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 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 -3.37 0.06 -2.59 0.00 -1.32 -0.24 -5.02 115.64 103.16 3ks6 s THR 151 Ca -0.02 -0.45 0.23 0.00 -1.21 0.00 0.00 61.69 60.23 3ks6 s THR 151 Cb 0.13 -0.98 0.31 0.00 -1.51 0.00 0.00 72.50 70.46 3ks6 s THR 151 CO 0.85 -0.25 1.32 0.35 -2.21 0.00 0.00 174.62 174.67 3ks6 n THR 152 N 0.42 0.29 -1.61 5.08 -2.24 -1.26 -4.57 114.28 110.38 3ks6 n THR 152 Ca -0.18 -0.65 -0.33 0.00 -2.27 0.00 0.00 64.05 60.62 3ks6 n THR 152 Cb 0.60 1.19 0.06 0.00 -2.10 0.00 0.00 70.33 70.09 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 -1.65 2.55 0.60 -0.78 1.81 -1.26 -4.97 118.95 115.25 3ks6 s ARG 153 Ca 0.33 1.45 -0.20 0.00 -1.72 0.00 0.00 55.73 55.60 3ks6 s ARG 153 Cb 0.21 -1.91 -0.03 0.00 -0.45 0.00 0.00 34.95 32.76 3ks6 s ARG 153 CO 0.30 -1.45 1.30 -2.30 -0.68 0.00 0.00 175.30 172.47 3ks6 n PRO 154 N -2.63 1.37 -4.30 3.54 -0.02 -1.26 -4.85 135.00 126.84 3ks6 n PRO 154 Ca 0.11 0.52 -0.19 0.00 -2.02 0.00 0.00 63.50 61.92 3ks6 n PRO 154 Cb 0.52 -2.52 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 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 -3.09 0.87 -0.01 -0.52 0.52 -1.26 -0.73 118.95 114.73 3ks6 s ARG 155 Ca 0.77 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 3ks6 s ARG 155 Cb -0.40 -0.86 0.01 0.00 0.52 0.00 0.00 34.95 34.22 3ks6 s ARG 155 CO 0.45 0.21 -0.02 -0.48 0.02 0.00 0.00 175.30 175.47 3ks6 s LEU 156 N -1.21 1.75 -0.25 2.53 0.05 0.09 -4.21 118.68 117.42 3ks6 s LEU 156 Ca 0.00 -0.05 -0.14 0.00 0.05 0.00 0.00 54.13 53.99 3ks6 s LEU 156 Cb -0.08 -0.18 -0.04 0.00 -2.05 0.00 0.00 46.19 43.84 3ks6 s LEU 156 CO 0.01 -0.00 0.34 0.86 -0.55 0.00 0.00 176.35 177.01 3ks6 s TRP 157 N 0.26 3.28 -0.31 3.48 -0.00 -0.52 -2.55 118.94 122.59 3ks6 s TRP 157 Ca -0.02 0.42 -0.26 0.00 -0.00 0.00 0.00 56.10 56.24 3ks6 s TRP 157 Cb -0.05 -2.51 0.01 0.00 -0.00 0.00 0.00 33.47 30.91 3ks6 s TRP 157 CO -0.01 -0.14 0.90 -0.51 -0.00 0.00 0.00 176.95 177.20 3ks6 s LEU 158 N 1.76 4.04 -0.36 5.86 1.43 -0.22 -0.44 118.68 130.74 3ks6 s LEU 158 Ca 0.15 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 53.97 3ks6 s LEU 158 Cb -0.15 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.83 3ks6 s LEU 158 CO 0.09 -0.71 0.19 -0.69 0.23 0.00 0.00 176.35 175.46 3ks6 s VAL 159 N 3.21 4.52 0.66 -1.59 1.01 -0.16 -4.27 120.40 123.78 3ks6 s VAL 159 Ca 0.37 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 3ks6 s VAL 159 Cb -0.13 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3ks6 s VAL 159 CO 0.13 -0.20 1.15 -0.94 0.00 0.00 0.00 175.10 175.24 3ks6 s SER 160 N 1.55 4.90 0.28 3.32 1.04 -1.26 -4.24 113.70 119.29 3ks6 s SER 160 Ca 0.02 2.15 0.02 0.00 0.48 0.00 0.00 55.95 58.61 3ks6 s SER 160 Cb -0.19 -2.57 0.67 0.00 0.10 0.00 0.00 66.02 64.03 3ks6 s SER 160 CO 0.06 -1.78 1.69 -0.65 0.98 0.00 0.00 173.24 173.55 3ks6 h PRO 161 N 0.10 0.36 0.16 4.02 0.11 -1.98 -0.91 132.00 133.87 3ks6 h PRO 161 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ks6 h PRO 161 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3ks6 h PRO 161 CO 0.53 0.24 -0.14 0.77 -0.21 0.00 0.00 178.00 179.19 3ks6 h SER 162 N 0.37 -0.38 -0.54 -2.05 0.02 -1.99 0.72 113.55 109.70 3ks6 h SER 162 Ca 0.53 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 3ks6 h SER 162 Cb 0.98 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3ks6 h SER 162 CO -0.53 -0.22 0.34 0.58 -1.14 0.00 0.00 176.83 175.86 3ks6 h VAL 163 N -0.33 1.15 -0.45 2.27 2.07 -1.85 0.17 116.25 119.28 3ks6 h VAL 163 Ca -0.00 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3ks6 h VAL 163 Cb 0.30 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3ks6 h VAL 163 CO -0.03 0.15 0.10 0.25 0.02 0.00 0.00 177.57 178.06 3ks6 h LEU 164 N 0.73 0.70 -0.22 2.57 5.85 -0.94 -0.11 115.31 123.89 3ks6 h LEU 164 Ca 0.20 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 3ks6 h LEU 164 Cb -0.05 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 3ks6 h LEU 164 CO -0.04 0.76 -0.35 -0.61 -0.34 0.00 0.00 178.44 177.86 3ks6 h GLN 165 N 0.61 0.63 -0.01 1.25 4.15 -0.76 -0.39 115.11 120.60 3ks6 h GLN 165 Ca 0.14 -0.38 -0.06 0.00 0.77 0.00 0.00 58.65 59.12 3ks6 h GLN 165 Cb 0.34 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.07 3ks6 h GLN 165 CO 0.00 1.00 -0.23 1.96 -1.93 0.00 0.00 178.83 179.63 3ks6 h GLN 166 N 0.33 0.17 -0.23 1.69 4.20 -0.87 -3.28 115.11 117.12 3ks6 h GLN 166 Ca 0.02 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.41 3ks6 h GLN 166 Cb 0.94 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 3ks6 h GLN 166 CO 0.08 0.89 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.60 3ks6 h LEU 167 N -0.48 0.65 0.00 1.46 4.07 -1.15 -3.51 115.31 116.35 3ks6 h LEU 167 Ca -0.03 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.62 3ks6 h LEU 167 Cb 0.97 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.52 3ks6 h LEU 167 CO 0.05 1.02 0.00 0.61 -1.08 0.00 0.00 178.44 179.03 3ks6 n GLY 168 N 0.12 -1.38 0.31 0.83 0.00 -0.15 -4.22 105.19 100.69 3ks6 n GLY 168 Ca -0.02 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 0.86 -0.54 1.61 0.13 -1.93 -1.98 132.00 130.14 3ks6 h PRO 169 Ca 0.00 -0.17 0.03 0.00 -0.87 0.00 0.00 66.00 64.99 3ks6 h PRO 169 Cb 0.00 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 30.96 3ks6 h PRO 169 CO 0.00 0.76 0.31 0.78 -0.23 0.00 0.00 178.00 179.62 3ks6 h GLY 170 N 0.98 0.77 1.38 1.56 0.00 -1.95 -0.72 103.07 105.08 3ks6 h GLY 170 Ca 0.19 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 3ks6 h GLY 170 CO -0.01 0.18 -0.67 0.00 0.00 0.00 0.00 176.54 176.04 3ks6 h ALA 171 N 1.26 0.52 -0.43 3.60 0.00 -1.68 -1.60 119.26 120.93 3ks6 h ALA 171 Ca 0.23 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3ks6 h ALA 171 Cb 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3ks6 h ALA 171 CO -0.12 0.71 0.13 0.28 0.00 0.00 0.00 179.25 180.25 3ks6 h VAL 172 N 0.45 0.83 -0.31 0.00 2.07 -1.11 -1.24 116.25 116.94 3ks6 h VAL 172 Ca -0.02 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3ks6 h VAL 172 Cb 1.26 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3ks6 h VAL 172 CO 0.13 0.05 0.11 0.40 0.02 0.00 0.00 177.57 178.28 3ks6 h ILE 173 N 0.28 1.19 -0.69 4.57 2.04 -1.02 -0.47 117.51 123.42 3ks6 h ILE 173 Ca 0.20 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3ks6 h ILE 173 Cb 0.22 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3ks6 h ILE 173 CO -0.23 0.21 0.46 -0.33 0.00 0.00 0.00 178.15 178.26 3ks6 h GLU 174 N 0.34 0.91 -0.30 2.37 5.08 -1.15 -1.31 114.58 120.52 3ks6 h GLU 174 Ca 0.10 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3ks6 h GLU 174 Cb 0.22 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3ks6 h GLU 174 CO -0.01 0.60 0.08 1.15 -1.00 0.00 0.00 179.01 179.84 3ks6 h THR 175 N 0.93 1.21 -0.12 1.13 2.02 -1.07 -1.13 112.91 115.87 3ks6 h THR 175 Ca 0.25 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 66.78 3ks6 h THR 175 Cb -0.11 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3ks6 h THR 175 CO -0.05 0.23 -0.06 0.00 0.37 0.00 0.00 175.52 176.01 3ks6 h ALA 176 N 0.92 0.05 -0.60 6.16 0.00 -0.67 -1.98 119.26 123.13 3ks6 h ALA 176 Ca 0.10 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3ks6 h ALA 176 Cb 0.27 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3ks6 h ALA 176 CO -0.00 -0.51 0.32 0.82 0.00 0.00 0.00 179.25 179.88 3ks6 h ILE 177 N -0.05 0.96 0.00 0.00 2.04 -1.12 -0.69 117.51 118.65 3ks6 h ILE 177 Ca 0.07 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3ks6 h ILE 177 Cb 0.15 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3ks6 h ILE 177 CO -0.16 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 178.02 3ks6 h ALA 178 N 1.32 1.27 -0.62 1.87 0.00 -0.71 -1.95 119.26 120.45 3ks6 h ALA 178 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ks6 h ALA 178 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ks6 h ALA 178 CO -0.18 0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.90 3ks6 n HIS 179 N -3.58 1.68 -3.87 0.00 8.25 -0.61 -4.96 115.22 112.13 3ks6 n HIS 179 Ca -0.02 -0.66 -0.29 0.00 -0.26 0.00 0.00 57.72 56.49 3ks6 n HIS 179 Cb 0.20 -0.34 0.03 0.00 1.12 0.00 0.00 29.99 31.01 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 0.91 -5.00 -4.71 0.41 7.64 -0.73 -4.89 113.62 107.26 3ks6 n SER 180 Ca 0.26 -0.75 -0.36 0.00 1.01 0.00 0.00 58.87 59.03 3ks6 n SER 180 Cb 1.00 -4.04 -0.08 0.00 -1.01 0.00 0.00 64.21 60.08 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 -3.31 5.34 -1.41 0.44 1.01 -0.36 -4.99 121.20 117.92 3ks6 s ILE 181 Ca 0.65 0.38 0.12 0.00 0.00 0.00 0.00 60.65 61.81 3ks6 s ILE 181 Cb -0.32 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.65 3ks6 s ILE 181 CO 0.82 0.38 0.83 1.41 0.00 0.00 0.00 174.94 178.38 3ks6 n HIS 182 N 3.78 0.00 -3.76 3.97 8.25 -1.26 -4.34 115.22 121.87 3ks6 n HIS 182 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.20 3ks6 n HIS 182 Cb 0.52 0.00 -0.12 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 -1.22 0.31 0.19 -0.41 2.12 -1.26 -0.71 118.70 117.73 3ks6 s GLU 183 Ca 0.13 0.47 0.11 0.00 0.36 0.00 0.00 54.97 56.04 3ks6 s GLU 183 Cb 0.10 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 3ks6 s GLU 183 CO 0.21 -0.08 -0.21 0.96 -0.54 0.00 0.00 175.26 175.59 3ks6 s ILE 184 N 0.53 2.51 -0.08 -3.70 -4.36 -0.82 -1.44 121.20 113.83 3ks6 s ILE 184 Ca -0.03 -1.96 0.03 0.00 -0.26 0.00 0.00 60.65 58.43 3ks6 s ILE 184 Cb -0.05 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.46 3ks6 s ILE 184 CO -0.03 -0.11 -0.19 -0.83 0.24 0.00 0.00 174.94 174.02 3ks6 s GLY 185 N -2.69 1.10 0.22 6.27 0.00 0.41 -2.00 107.32 110.63 3ks6 s GLY 185 Ca 0.21 -0.74 0.11 0.00 0.00 0.00 0.00 44.72 44.30 3ks6 s GLY 185 CO 0.11 -0.17 -0.17 -1.34 0.00 0.00 0.00 173.10 171.52 3ks6 s VAL 186 N 0.42 2.70 0.27 1.40 -7.23 -0.56 -0.99 120.40 116.41 3ks6 s VAL 186 Ca -0.16 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.67 3ks6 s VAL 186 Cb -0.17 -2.35 -0.13 0.00 0.56 0.00 0.00 36.38 34.30 3ks6 s VAL 186 CO 0.06 -0.22 1.48 1.57 -0.31 0.00 0.00 175.10 177.69 3ks6 n HIS 187 N -0.15 2.48 -0.23 2.82 -0.00 -1.26 -1.58 115.22 117.29 3ks6 n HIS 187 Ca -0.09 0.36 0.18 0.00 0.46 0.00 0.00 57.72 58.63 3ks6 n HIS 187 Cb 0.57 -2.52 0.51 0.00 -0.12 0.00 0.00 29.99 28.43 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 3.14 0.71 0.00 3.57 6.09 -1.39 0.17 117.51 129.79 3ks6 h ILE 188 Ca -0.46 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 3ks6 h ILE 188 Cb 1.25 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.80 3ks6 h ILE 188 CO 0.76 0.08 0.00 0.47 -3.07 0.00 0.00 178.15 176.39 3ks6 n ASP 189 N -4.51 0.60 -0.89 2.19 8.00 -1.26 -2.10 116.55 118.59 3ks6 n ASP 189 Ca 0.18 0.63 0.11 0.00 0.71 0.00 0.00 54.79 56.42 3ks6 n ASP 189 Cb 0.66 -0.77 0.12 0.00 -0.02 0.00 0.00 41.12 41.11 3ks6 n ASP 189 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ks6 n THR 190 N -2.15 0.14 -3.28 -3.53 -2.24 0.57 -5.00 114.28 98.79 3ks6 n THR 190 Ca 0.03 -0.57 -0.35 0.00 -2.27 0.00 0.00 64.05 60.89 3ks6 n THR 190 Cb 0.25 1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.65 3.52 0.28 6.98 0.00 -0.89 -4.99 121.76 125.02 3ks6 s ALA 191 Ca 0.27 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.03 3ks6 s ALA 191 Cb 0.18 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.70 3ks6 s ALA 191 CO 0.27 0.42 0.61 0.16 0.00 0.00 0.00 175.76 177.22 3ks6 s ASP 192 N -1.76 -0.08 0.22 0.00 1.47 -1.26 -5.03 116.67 110.23 3ks6 s ASP 192 Ca 0.40 -0.87 -0.09 0.00 1.18 0.00 0.00 52.55 53.18 3ks6 s ASP 192 Cb -0.15 0.68 0.18 0.00 -0.34 0.00 0.00 42.92 43.29 3ks6 s ASP 192 CO 0.20 -1.30 1.86 0.00 0.68 0.00 0.00 175.17 176.60 3ks6 h ALA 193 N 2.11 1.05 -0.51 2.11 0.00 -1.97 -2.87 119.26 119.17 3ks6 h ALA 193 Ca -0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ks6 h ALA 193 Cb 1.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3ks6 h ALA 193 CO 0.31 0.52 0.28 0.78 0.00 0.00 0.00 179.25 181.14 3ks6 h GLY 194 N 1.13 0.77 -1.36 0.00 0.00 -2.01 -1.61 103.07 99.99 3ks6 h GLY 194 Ca 0.29 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3ks6 h GLY 194 CO -0.05 0.34 0.00 -0.10 0.00 0.00 0.00 176.54 176.73 3ks6 n LEU 195 N -4.63 0.13 0.00 3.11 7.94 -1.09 -1.29 117.00 121.17 3ks6 n LEU 195 Ca 0.02 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 3ks6 n LEU 195 Cb 0.09 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.00 3ks6 n LEU 195 CO 0.36 0.03 0.00 0.00 -1.11 0.00 0.00 177.39 176.67 3ks6 n ALA 197 N 0.64 0.00 -0.07 1.96 0.00 -0.61 -1.06 120.51 121.38 3ks6 n ALA 197 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3ks6 n ALA 197 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 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 0.34 -0.20 0.00 4.15 -1.45 0.14 115.11 118.09 3ks6 h GLN 198 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3ks6 h GLN 198 Cb 0.00 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3ks6 h GLN 198 CO 0.00 0.40 0.13 0.28 -1.93 0.00 0.00 178.83 177.72 3ks6 h VAL 199 N 0.21 1.06 -0.28 2.39 2.07 -1.36 -2.82 116.25 117.52 3ks6 h VAL 199 Ca 0.07 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 3ks6 h VAL 199 Cb 0.20 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3ks6 h VAL 199 CO -0.00 0.06 -0.19 1.56 0.02 0.00 0.00 177.57 179.01 3ks6 h GLN 200 N 0.27 0.50 -0.33 1.57 4.20 -1.60 -2.42 115.11 117.29 3ks6 h GLN 200 Ca 0.07 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.67 3ks6 h GLN 200 Cb -0.02 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3ks6 h GLN 200 CO -0.02 0.67 0.23 0.00 -0.67 0.00 0.00 178.83 179.04 3ks6 h ALA 201 N 1.35 2.03 -0.01 3.87 0.00 -0.46 0.12 119.26 126.15 3ks6 h ALA 201 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ks6 h ALA 201 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ks6 h ALA 201 CO 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3ks6 n ALA 202 N -2.54 2.65 -0.42 0.00 0.00 -0.94 -4.90 120.51 114.37 3ks6 n ALA 202 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ks6 n ALA 202 Cb 0.24 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.03 0.78 3.89 0.00 0.00 0.03 -5.07 105.19 105.86 3ks6 n GLY 203 Ca 0.22 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 4.36 0.50 0.99 1.43 -1.04 -4.96 118.68 119.96 3ks6 s LEU 204 Ca 0.00 0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 3ks6 s LEU 204 Cb 0.00 -2.74 -0.08 0.00 0.03 0.00 0.00 46.19 43.41 3ks6 s LEU 204 CO 0.00 0.23 1.01 -1.81 0.23 0.00 0.00 176.35 176.02 3ks6 s ASP 205 N -1.79 6.39 -0.09 2.29 1.01 0.12 -3.67 116.67 120.92 3ks6 s ASP 205 Ca 0.29 1.78 -0.01 0.00 0.71 0.00 0.00 52.55 55.32 3ks6 s ASP 205 Cb -0.13 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.29 3ks6 s ASP 205 CO 0.17 -0.75 -0.02 0.12 0.21 0.00 0.00 175.17 174.90 3ks6 s PHE 206 N -2.26 0.98 0.33 4.23 5.36 -1.26 -1.95 117.98 123.42 3ks6 s PHE 206 Ca 0.64 -0.41 0.05 0.00 -0.96 0.00 0.00 56.93 56.24 3ks6 s PHE 206 Cb -0.13 -0.97 -0.03 0.00 -0.34 0.00 0.00 43.02 41.54 3ks6 s PHE 206 CO 0.25 -0.41 0.19 0.20 -1.46 0.00 0.00 175.22 173.99 3ks6 s GLY 207 N 1.87 2.26 0.29 13.12 0.00 -0.84 -1.28 107.32 122.74 3ks6 s GLY 207 Ca 0.05 -1.74 0.02 0.00 0.00 0.00 0.00 44.72 43.05 3ks6 s GLY 207 CO -0.06 -1.59 0.09 0.00 0.00 0.00 0.00 173.10 171.53 3ks6 s TRP 209 N -3.56 0.44 -0.94 0.00 1.48 -0.62 -2.70 118.94 113.04 3ks6 s TRP 209 Ca 0.37 -0.82 -0.00 0.00 -1.06 0.00 0.00 56.10 54.58 3ks6 s TRP 209 Cb 0.08 -0.15 0.00 0.00 -1.16 0.00 0.00 33.47 32.24 3ks6 s TRP 209 CO 0.15 -0.64 0.04 0.00 -4.06 0.00 0.00 176.95 172.44 3ks6 n ALA 210 N -0.15 -0.35 -3.02 2.67 0.00 -1.22 -1.07 120.51 117.37 3ks6 n ALA 210 Ca -0.09 0.10 -0.44 0.00 0.00 0.00 0.00 53.44 53.01 3ks6 n ALA 210 Cb 0.63 -1.53 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.60 3.85 -0.03 0.00 0.00 -0.81 -4.75 121.76 117.42 3ks6 s ALA 211 Ca 0.02 -3.19 0.16 0.00 0.00 0.00 0.00 51.96 48.96 3ks6 s ALA 211 Cb -0.01 -3.98 -0.25 0.00 0.00 0.00 0.00 23.12 18.88 3ks6 s ALA 211 CO 0.03 -2.75 0.34 0.72 0.00 0.00 0.00 175.76 174.10 3ks6 n HIS 212 N 5.52 0.00 -4.03 0.00 8.25 -1.26 -4.35 115.22 119.35 3ks6 n HIS 212 Ca 0.28 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.53 3ks6 n HIS 212 Cb 0.45 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -3.10 4.92 0.27 1.59 -4.23 -1.26 -4.60 115.64 109.23 3ks6 s THR 213 Ca -0.06 -1.15 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 3ks6 s THR 213 Cb 0.10 -3.66 0.26 0.00 1.34 0.00 0.00 72.50 70.53 3ks6 s THR 213 CO 0.68 -0.33 1.80 -0.65 -0.54 0.00 0.00 174.62 175.58 3ks6 h PRO 214 N 1.36 0.77 -0.51 3.99 0.11 -1.99 -0.97 132.00 134.76 3ks6 h PRO 214 Ca -0.50 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 3ks6 h PRO 214 Cb 1.23 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3ks6 h PRO 214 CO 0.61 0.51 0.30 0.66 -0.21 0.00 0.00 178.00 179.87 3ks6 h SER 215 N 0.80 0.61 -0.49 -2.05 4.64 -1.99 -0.69 113.55 114.38 3ks6 h SER 215 Ca 0.47 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.65 3ks6 h SER 215 Cb 0.56 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3ks6 h SER 215 CO -0.31 0.50 0.02 1.56 -0.87 0.00 0.00 176.83 177.73 3ks6 h GLN 216 N 0.67 0.86 -0.36 4.77 4.20 -1.82 -1.25 115.11 122.18 3ks6 h GLN 216 Ca 0.18 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 3ks6 h GLN 216 Cb 0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3ks6 h GLN 216 CO -0.03 0.89 -0.02 0.82 -0.67 0.00 0.00 178.83 179.81 3ks6 h ILE 217 N 0.72 1.27 -0.79 2.54 2.04 -1.09 -1.69 117.51 120.50 3ks6 h ILE 217 Ca 0.14 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.00 3ks6 h ILE 217 Cb 0.49 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 3ks6 h ILE 217 CO 0.02 0.34 0.51 0.74 0.00 0.00 0.00 178.15 179.76 3ks6 h THR 218 N 0.46 1.13 -0.22 -0.27 2.02 -1.07 -1.43 112.91 113.53 3ks6 h THR 218 Ca 0.10 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3ks6 h THR 218 Cb 0.50 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3ks6 h THR 218 CO 0.02 0.18 0.11 0.50 0.37 0.00 0.00 175.52 176.71 3ks6 h LYS 219 N 0.99 0.23 -0.69 6.66 3.64 -1.02 0.13 116.57 126.52 3ks6 h LYS 219 Ca 0.31 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 3ks6 h LYS 219 Cb -0.01 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 3ks6 h LYS 219 CO -0.11 0.15 0.42 0.00 -2.27 0.00 0.00 179.45 177.65 3ks6 h ALA 220 N 1.10 0.90 -0.34 5.00 0.00 -0.92 -0.46 119.26 124.56 3ks6 h ALA 220 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3ks6 h ALA 220 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ks6 h ALA 220 CO -0.05 0.17 -0.04 -0.07 0.00 0.00 0.00 179.25 179.26 3ks6 h LEU 221 N 0.81 0.62 -0.69 0.00 3.38 -0.94 -2.46 115.31 116.03 3ks6 h LEU 221 Ca 0.28 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ks6 h LEU 221 Cb 0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ks6 h LEU 221 CO -0.12 0.81 0.44 0.44 0.09 0.00 0.00 178.44 180.09 3ks6 h ASP 222 N 0.41 0.72 0.84 -0.43 3.32 -0.55 -2.26 116.42 118.48 3ks6 h ASP 222 Ca 0.09 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3ks6 h ASP 222 Cb 0.52 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3ks6 h ASP 222 CO 0.03 0.50 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.92 3ks6 h LEU 223 N 0.86 0.00 -0.53 1.55 3.38 -1.03 -3.47 115.31 116.08 3ks6 h LEU 223 Ca 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 3ks6 h LEU 223 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 3ks6 h LEU 223 CO -0.10 0.06 -0.23 0.61 0.09 0.00 0.00 178.44 178.87 3ks6 n GLY 224 N -0.12 0.36 3.76 0.83 0.00 -0.85 -5.01 105.19 104.16 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 -2.95 3.13 0.16 1.61 -7.23 -1.12 -4.89 120.40 109.11 3ks6 s VAL 225 Ca 0.16 0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 60.62 3ks6 s VAL 225 Cb -0.07 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 33.98 3ks6 s VAL 225 CO 0.20 -0.40 1.81 0.50 -0.31 0.00 0.00 175.10 176.90 3ks6 h LYS 226 N -0.64 0.59 -2.33 4.82 3.64 -1.56 -3.38 116.57 117.70 3ks6 h LYS 226 Ca -0.45 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 3ks6 h LYS 226 Cb 1.24 -0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 32.77 3ks6 h LYS 226 CO 0.52 0.40 0.20 0.54 -2.27 0.00 0.00 179.45 178.84 3ks6 s VAL 227 N -6.11 0.00 -0.01 2.00 0.11 -1.26 -0.94 120.40 114.19 3ks6 s VAL 227 Ca -0.13 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.89 3ks6 s VAL 227 Cb 0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 3ks6 s VAL 227 CO 0.73 0.00 0.06 0.72 -3.33 0.00 0.00 175.10 173.28 3ks6 s PHE 228 N -2.03 0.01 0.16 1.54 -0.12 -0.71 -1.13 117.98 115.70 3ks6 s PHE 228 Ca -0.07 -0.01 -0.19 0.00 -0.05 0.00 0.00 56.93 56.61 3ks6 s PHE 228 Cb -0.00 -0.03 -0.08 0.00 -0.63 0.00 0.00 43.02 42.28 3ks6 s PHE 228 CO 0.02 -0.10 0.66 0.95 -0.05 0.00 0.00 175.22 176.70 3ks6 s THR 229 N -0.46 4.65 -0.07 -4.49 -4.23 -1.10 -1.10 115.64 108.84 3ks6 s THR 229 Ca -0.05 1.22 -0.08 0.00 -1.18 0.00 0.00 61.69 61.59 3ks6 s THR 229 Cb -0.03 -3.87 0.02 0.00 1.34 0.00 0.00 72.50 69.95 3ks6 s THR 229 CO 0.00 0.33 0.22 0.28 -0.54 0.00 0.00 174.62 174.91 3ks6 s THR 230 N -1.37 0.02 -1.21 3.99 -1.32 -0.32 -1.92 115.64 113.50 3ks6 s THR 230 Ca 0.38 -0.15 0.29 0.00 -1.21 0.00 0.00 61.69 61.00 3ks6 s THR 230 Cb -0.18 -0.36 0.33 0.00 -1.51 0.00 0.00 72.50 70.79 3ks6 s THR 230 CO 0.21 -0.08 1.92 0.47 -2.21 0.00 0.00 174.62 174.92 3ks6 n ASP 231 N 2.59 0.10 -3.22 8.08 8.00 -1.26 -0.51 116.55 130.34 3ks6 n ASP 231 Ca -0.15 0.10 -0.25 0.00 0.71 0.00 0.00 54.79 55.20 3ks6 n ASP 231 Cb 0.58 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.37 2.25 -0.12 -1.24 1.74 -1.26 -1.97 116.66 114.69 3ks6 n ARG 232 Ca 0.10 -4.33 0.05 0.00 -0.77 0.00 0.00 57.85 52.90 3ks6 n ARG 232 Cb 0.30 -2.01 0.37 0.00 -1.02 0.00 0.00 32.46 30.10 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 3.66 0.69 -0.21 5.56 0.13 -1.93 -0.80 132.00 139.10 3ks6 h PRO 233 Ca 0.15 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 3ks6 h PRO 233 Cb 0.69 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3ks6 h PRO 233 CO 0.73 0.45 0.09 1.15 -0.23 0.00 0.00 178.00 180.19 3ks6 h THR 234 N 0.71 1.15 -0.68 1.56 2.02 -1.96 -0.75 112.91 114.96 3ks6 h THR 234 Ca 0.25 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3ks6 h THR 234 Cb 0.10 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3ks6 h THR 234 CO -0.07 0.15 0.36 0.25 0.37 0.00 0.00 175.52 176.58 3ks6 h LEU 235 N 0.20 0.87 -0.69 2.58 5.85 -1.92 -2.50 115.31 119.69 3ks6 h LEU 235 Ca 0.07 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3ks6 h LEU 235 Cb 0.15 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3ks6 h LEU 235 CO -0.01 0.73 0.29 0.00 -0.34 0.00 0.00 178.44 179.11 3ks6 h ALA 236 N 1.18 0.90 -0.40 1.25 0.00 -0.87 -0.01 119.26 121.31 3ks6 h ALA 236 Ca 0.24 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ks6 h ALA 236 Cb 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3ks6 h ALA 236 CO -0.04 0.51 0.24 0.82 0.00 0.00 0.00 179.25 180.79 3ks6 h ILE 237 N 0.99 1.05 -0.42 0.00 2.04 -1.05 -0.64 117.51 119.48 3ks6 h ILE 237 Ca 0.23 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 3ks6 h ILE 237 Cb 0.19 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3ks6 h ILE 237 CO -0.02 0.09 0.09 0.00 0.00 0.00 0.00 178.15 178.31 3ks6 h ALA 238 N 1.18 0.55 -0.61 1.87 0.00 -0.98 -0.34 119.26 120.92 3ks6 h ALA 238 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ks6 h ALA 238 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3ks6 h ALA 238 CO -0.07 0.24 0.15 -0.07 0.00 0.00 0.00 179.25 179.51 3ks6 h LEU 239 N 0.54 0.90 -0.26 0.00 3.38 -0.85 -2.07 115.31 116.95 3ks6 h LEU 239 Ca 0.13 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3ks6 h LEU 239 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3ks6 h LEU 239 CO 0.00 0.87 -0.08 -0.09 0.09 0.00 0.00 178.44 179.23 3ks6 h ARG 240 N 0.92 0.51 -0.51 1.13 2.43 -0.84 0.38 114.38 118.40 3ks6 h ARG 240 Ca 0.20 -0.20 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3ks6 h ARG 240 Cb 0.32 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 3ks6 h ARG 240 CO -0.00 0.74 0.18 1.15 -1.51 0.00 0.00 179.97 180.52 3ks6 h THR 241 N 0.25 0.82 -0.68 0.20 2.02 -0.96 0.09 112.91 114.64 3ks6 h THR 241 Ca 0.06 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3ks6 h THR 241 Cb 0.56 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3ks6 h THR 241 CO 0.03 0.06 0.37 -0.08 0.37 0.00 0.00 175.52 176.28 3ks6 h GLU 242 N 0.35 0.95 -0.52 6.66 4.81 -1.24 -2.81 114.58 122.78 3ks6 h GLU 242 Ca 0.25 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3ks6 h GLU 242 Cb 0.27 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3ks6 h GLU 242 CO -0.25 0.71 0.34 1.25 -0.73 0.00 0.00 179.01 180.32 3ks6 h HIS 243 N 0.93 0.66 0.00 0.92 2.76 -0.37 0.24 115.15 120.28 3ks6 h HIS 243 Ca 0.24 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3ks6 h HIS 243 Cb 0.04 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.77 3ks6 h HIS 243 CO -0.01 0.43 0.00 0.54 -1.30 0.00 0.00 177.93 177.59 3ks6 n ARG 244 N -4.71 0.03 0.00 5.26 1.74 -0.03 -1.44 116.66 117.51 3ks6 n ARG 244 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3ks6 n ARG 244 Cb 0.03 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.60 0.00 -1.27 5.56 -0.58 0.07 -4.86 120.64 120.15 3ks6 n GLU 246 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 3ks6 n GLU 246 Cb 0.01 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 30.99 3ks6 n GLU 246 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ks6 s ALA 247 N 0.00 1.97 -2.60 0.62 0.00 -0.52 -5.23 121.76 116.01 3ks6 s ALA 247 Ca 0.00 0.91 0.27 0.00 0.00 0.00 0.00 51.96 53.14 3ks6 s ALA 247 Cb 0.00 -3.50 0.88 0.00 0.00 0.00 0.00 23.12 20.51 3ks6 s ALA 247 CO 0.00 -2.11 1.65 0.43 0.00 0.00 0.00 175.76 175.73