#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 4.22 -0.15 -2.82 0.52 -0.22 -4.93 118.95 115.56 3ks6 s ARG 3 Ca 0.00 1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 56.31 3ks6 s ARG 3 Cb 0.00 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 3ks6 s ARG 3 CO 0.00 -0.04 -0.10 0.42 0.02 0.00 0.00 175.30 175.60 3ks6 s ILE 4 N -2.20 3.25 -0.14 1.52 1.01 -1.26 -1.54 121.20 121.84 3ks6 s ILE 4 Ca 0.62 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3ks6 s ILE 4 Cb -0.09 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3ks6 s ILE 4 CO 0.14 0.50 -0.15 0.00 0.00 0.00 0.00 174.94 175.42 3ks6 s ALA 5 N 0.61 2.51 -0.38 9.38 0.00 -0.28 -1.84 121.76 131.76 3ks6 s ALA 5 Ca -0.06 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.66 3ks6 s ALA 5 Cb -0.15 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.81 3ks6 s ALA 5 CO 0.03 0.12 0.97 0.45 0.00 0.00 0.00 175.76 177.33 3ks6 s SER 6 N 0.58 6.69 -0.26 0.00 0.15 0.38 -1.71 113.70 119.53 3ks6 s SER 6 Ca -0.09 0.58 -0.29 0.00 0.70 0.00 0.00 55.95 56.85 3ks6 s SER 6 Cb -0.16 -2.48 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 3ks6 s SER 6 CO 0.03 -0.93 1.40 -2.28 1.20 0.00 0.00 173.24 172.66 3ks6 s HIS 7 N 3.65 2.51 -1.36 3.44 5.04 0.34 -0.26 115.29 128.65 3ks6 s HIS 7 Ca 0.40 0.77 -0.02 0.00 -1.54 0.00 0.00 55.06 54.68 3ks6 s HIS 7 Cb -0.11 -3.89 0.01 0.00 0.04 0.00 0.00 32.58 28.63 3ks6 s HIS 7 CO 0.21 -2.12 0.14 0.54 -2.34 0.00 0.00 174.74 171.16 3ks6 n ARG 8 N 7.34 -2.57 -0.89 2.88 1.74 -0.25 -0.67 116.66 124.23 3ks6 n ARG 8 Ca 0.16 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 3ks6 n ARG 8 Cb 0.46 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.49 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 -1.00 0.89 0.00 -0.13 0.00 -1.15 -1.36 105.19 102.43 3ks6 n GLY 9 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.12 0.66 0.24 -0.02 0.00 0.15 -4.03 105.19 100.06 3ks6 n GLY 10 Ca 0.00 -0.81 0.01 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 0.46 -0.01 2.61 2.02 -1.46 0.15 112.91 116.67 3ks6 h THR 11 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3ks6 h THR 11 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 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 -5.32 0.65 -0.10 2.58 4.77 -0.89 -1.19 117.00 117.50 3ks6 n LEU 12 Ca 0.09 -0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 55.67 3ks6 n LEU 12 Cb 0.36 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 3ks6 n LEU 12 CO 0.09 0.11 -1.19 -0.62 -1.33 0.00 0.00 177.39 174.45 3ks6 n GLU 13 N -0.48 0.48 0.00 3.23 1.02 0.37 -4.84 120.64 120.42 3ks6 n GLU 13 Ca 0.22 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 3ks6 n GLU 13 Cb 0.21 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.43 0.00 0.00 -0.32 3.72 -0.34 -5.09 117.46 112.00 3ks6 n PHE 14 Ca -0.38 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 3ks6 n PHE 14 Cb 0.85 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 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 -0.33 -0.39 3.61 1.37 0.00 -0.33 -4.46 105.19 104.66 3ks6 n GLY 15 Ca 0.00 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.51 6.71 -1.37 1.61 -1.08 -1.26 -3.93 116.67 114.83 3ks6 s ASP 16 Ca 0.00 0.63 -0.08 0.00 -0.52 0.00 0.00 52.55 52.58 3ks6 s ASP 16 Cb 0.00 -2.49 0.03 0.00 -1.46 0.00 0.00 42.92 38.99 3ks6 s ASP 16 CO 0.00 -0.94 1.05 -1.20 0.52 0.00 0.00 175.17 174.60 3ks6 n SER 17 N 6.98 -4.67 -4.90 -0.34 7.64 -0.47 -4.97 113.62 112.90 3ks6 n SER 17 Ca 0.09 -0.65 -0.32 0.00 1.01 0.00 0.00 58.87 59.00 3ks6 n SER 17 Cb 0.48 -4.64 -0.05 0.00 -1.01 0.00 0.00 64.21 59.00 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 -3.36 5.25 0.32 0.44 -4.23 -1.26 -4.90 115.64 107.90 3ks6 s THR 18 Ca 0.45 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 61.00 3ks6 s THR 18 Cb -0.21 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.33 3ks6 s THR 18 CO 0.77 0.13 1.72 -0.65 -0.54 0.00 0.00 174.62 176.04 3ks6 h PRO 19 N 3.13 0.51 -0.50 3.99 0.11 -1.93 -0.55 132.00 136.75 3ks6 h PRO 19 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3ks6 h PRO 19 Cb 1.17 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3ks6 h PRO 19 CO 0.72 0.33 0.14 1.25 -0.21 0.00 0.00 178.00 180.24 3ks6 h HIS 20 N 0.52 0.82 -0.27 0.65 -0.00 -1.93 0.12 115.15 115.07 3ks6 h HIS 20 Ca 0.64 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 60.83 3ks6 h HIS 20 Cb 1.25 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.42 3ks6 h HIS 20 CO -0.03 0.72 -0.18 0.78 -0.00 0.00 0.00 177.93 179.23 3ks6 h GLY 21 N 0.69 0.65 1.20 5.26 0.00 -1.41 0.14 103.07 109.60 3ks6 h GLY 21 Ca 0.16 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3ks6 h GLY 21 CO -0.00 0.56 0.19 0.74 0.00 0.00 0.00 176.54 178.02 3ks6 h PHE 22 N 0.33 1.04 0.03 5.60 0.04 -1.13 -0.86 116.94 121.99 3ks6 h PHE 22 Ca 0.05 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3ks6 h PHE 22 Cb 0.71 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3ks6 h PHE 22 CO 0.07 0.84 -0.01 1.15 -0.60 0.00 0.00 178.31 179.75 3ks6 h THR 23 N 0.97 1.21 -0.28 -1.55 2.02 -0.83 -1.28 112.91 113.16 3ks6 h THR 23 Ca 0.21 -0.78 0.05 0.00 0.77 0.00 0.00 66.41 66.66 3ks6 h THR 23 Cb 0.30 1.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.40 3ks6 h THR 23 CO -0.01 0.20 -0.01 0.00 0.37 0.00 0.00 175.52 176.07 3ks6 h ALA 24 N 0.57 0.24 -0.74 6.16 0.00 -0.89 -2.59 119.26 122.02 3ks6 h ALA 24 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ks6 h ALA 24 Cb 0.36 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3ks6 h ALA 24 CO 0.01 -0.42 0.46 1.15 0.00 0.00 0.00 179.25 180.45 3ks6 h THR 25 N 0.07 1.20 -0.04 0.00 2.02 -1.10 -2.08 112.91 112.98 3ks6 h THR 25 Ca 0.14 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3ks6 h THR 25 Cb 0.19 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3ks6 h THR 25 CO -0.24 0.21 0.12 0.00 0.37 0.00 0.00 175.52 175.97 3ks6 h ALA 26 N 1.49 1.32 -1.34 6.16 0.00 -0.81 -3.45 119.26 122.63 3ks6 h ALA 26 Ca 0.27 -0.00 -0.77 0.00 0.00 0.00 0.00 54.91 54.41 3ks6 h ALA 26 Cb -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.43 3ks6 h ALA 26 CO -0.05 -0.14 0.77 0.00 0.00 0.00 0.00 179.25 179.82 3ks6 n ALA 27 N -2.13 5.96 -3.19 0.00 0.00 -0.78 -4.62 120.51 115.73 3ks6 n ALA 27 Ca -0.02 -4.51 -0.25 0.00 0.00 0.00 0.00 53.44 48.65 3ks6 n ALA 27 Cb 0.20 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 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 -0.20 3.78 -2.28 0.00 0.00 -1.26 -5.12 120.51 115.43 3ks6 n ALA 29 Ca 0.46 -4.38 -0.17 0.00 0.00 0.00 0.00 53.44 49.35 3ks6 n ALA 29 Cb 0.29 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.62 1.57 -0.11 0.00 0.05 -1.26 -4.95 118.68 111.36 3ks6 s LEU 30 Ca 0.42 -1.61 0.17 0.00 0.05 0.00 0.00 54.13 53.17 3ks6 s LEU 30 Cb 0.22 0.40 -0.26 0.00 -2.05 0.00 0.00 46.19 44.51 3ks6 s LEU 30 CO -0.08 -0.95 0.22 -0.62 -0.55 0.00 0.00 176.35 174.36 3ks6 n GLU 31 N -0.53 0.86 -3.84 1.48 4.71 -0.99 -4.66 120.64 117.67 3ks6 n GLU 31 Ca 0.04 -0.08 -0.10 0.00 -0.01 0.00 0.00 57.16 57.01 3ks6 n GLU 31 Cb 0.64 -1.46 -0.08 0.00 -1.01 0.00 0.00 31.44 29.53 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 -2.82 0.71 -0.08 3.49 2.02 -0.77 -1.16 118.70 120.08 3ks6 s GLU 32 Ca -0.08 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.29 3ks6 s GLU 32 Cb 0.08 0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.59 3ks6 s GLU 32 CO 0.77 -0.21 -0.15 0.54 0.02 0.00 0.00 175.26 176.23 3ks6 s VAL 33 N -2.64 2.94 -0.01 2.63 0.11 -0.59 -0.47 120.40 122.37 3ks6 s VAL 33 Ca -0.04 -0.74 -0.00 0.00 -2.93 0.00 0.00 61.98 58.26 3ks6 s VAL 33 Cb -0.01 -2.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 3ks6 s VAL 33 CO -0.04 0.56 0.08 -0.70 -3.33 0.00 0.00 175.10 171.67 3ks6 s GLU 34 N -0.23 3.05 0.12 1.54 -6.30 0.63 -0.98 118.70 116.53 3ks6 s GLU 34 Ca 0.00 -0.49 -0.25 0.00 -2.50 0.00 0.00 54.97 51.74 3ks6 s GLU 34 Cb -0.13 -2.85 0.08 0.00 0.00 0.00 0.00 34.13 31.23 3ks6 s GLU 34 CO 0.03 0.65 0.70 -0.59 0.02 0.00 0.00 175.26 176.07 3ks6 s PHE 35 N -1.19 -0.46 0.18 5.30 -0.71 -0.94 -1.10 117.98 119.07 3ks6 s PHE 35 Ca 0.23 0.25 0.11 0.00 -1.04 0.00 0.00 56.93 56.48 3ks6 s PHE 35 Cb -0.12 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 3ks6 s PHE 35 CO 0.14 -0.78 -0.24 -0.51 -1.34 0.00 0.00 175.22 172.49 3ks6 s ASP 36 N -2.68 3.39 0.06 1.98 1.01 -1.26 -0.77 116.67 118.40 3ks6 s ASP 36 Ca 0.03 -0.85 0.06 0.00 0.71 0.00 0.00 52.55 52.49 3ks6 s ASP 36 Cb -0.01 -0.25 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 3ks6 s ASP 36 CO -0.11 0.12 -0.15 -0.76 0.21 0.00 0.00 175.17 174.48 3ks6 s LEU 37 N -2.60 2.24 0.02 1.23 1.43 -1.23 -1.83 118.68 117.95 3ks6 s LEU 37 Ca 0.20 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3ks6 s LEU 37 Cb -0.08 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 3ks6 s LEU 37 CO 0.09 -0.01 -0.03 -1.00 0.23 0.00 0.00 176.35 175.63 3ks6 s HIS 38 N -1.11 0.30 0.46 0.29 3.76 0.00 -4.46 115.29 114.53 3ks6 s HIS 38 Ca 0.01 -0.35 -0.19 0.00 -0.15 0.00 0.00 55.06 54.37 3ks6 s HIS 38 Cb -0.09 -0.20 -0.10 0.00 1.11 0.00 0.00 32.58 33.30 3ks6 s HIS 38 CO 0.02 -0.10 0.96 -1.25 -0.85 0.00 0.00 174.74 173.52 3ks6 s PRO 39 N -0.99 4.12 0.40 8.40 0.04 -1.26 -0.47 135.00 145.24 3ks6 s PRO 39 Ca -0.09 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.04 3ks6 s PRO 39 Cb -0.07 -2.17 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 3ks6 s PRO 39 CO -0.00 -0.12 0.57 0.95 0.04 0.00 0.00 177.00 178.44 3ks6 s THR 40 N -2.35 3.78 0.51 1.26 -4.23 -0.72 -3.00 115.64 110.88 3ks6 s THR 40 Ca 0.61 -0.82 0.23 0.00 -1.18 0.00 0.00 61.69 60.53 3ks6 s THR 40 Cb -0.09 -3.34 0.29 0.00 1.34 0.00 0.00 72.50 70.70 3ks6 s THR 40 CO 0.20 -0.17 2.14 0.00 -0.54 0.00 0.00 174.62 176.25 3ks6 h ALA 41 N 0.63 1.61 -0.50 3.99 0.00 -1.59 -2.33 119.26 121.08 3ks6 h ALA 41 Ca -0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3ks6 h ALA 41 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ks6 h ALA 41 CO 0.53 0.08 0.02 -0.40 0.00 0.00 0.00 179.25 179.49 3ks6 n ASP 42 N -4.05 5.09 0.00 0.00 5.75 -1.26 -4.98 116.55 117.10 3ks6 n ASP 42 Ca -0.03 -3.00 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 3ks6 n ASP 42 Cb 0.15 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 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 0.19 0.57 3.91 6.12 0.00 -0.88 -4.98 105.19 110.12 3ks6 n GLY 43 Ca 0.27 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 2.80 -0.15 4.61 0.00 -1.26 -4.85 121.76 120.91 3ks6 s ALA 44 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 3ks6 s ALA 44 Cb 0.00 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.33 3ks6 s ALA 44 CO 0.00 -1.59 -0.08 0.42 0.00 0.00 0.00 175.76 174.51 3ks6 s ILE 45 N -3.48 1.22 -0.09 0.00 1.01 -1.26 -1.76 121.20 116.83 3ks6 s ILE 45 Ca 0.62 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 3ks6 s ILE 45 Cb -0.11 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3ks6 s ILE 45 CO 0.48 0.26 -0.01 -0.69 0.00 0.00 0.00 174.94 174.97 3ks6 s VAL 46 N 1.61 4.21 -0.48 2.92 1.01 0.38 -1.06 120.40 128.99 3ks6 s VAL 46 Ca 0.02 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 3ks6 s VAL 46 Cb -0.14 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.50 3ks6 s VAL 46 CO -0.08 0.59 0.88 -0.69 0.00 0.00 0.00 175.10 175.80 3ks6 s VAL 47 N -0.77 4.51 -0.14 2.92 1.01 -1.26 -0.82 120.40 125.85 3ks6 s VAL 47 Ca 0.12 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 3ks6 s VAL 47 Cb -0.11 -4.43 0.09 0.00 0.00 0.00 0.00 36.38 31.93 3ks6 s VAL 47 CO 0.02 -0.88 0.81 -2.28 0.00 0.00 0.00 175.10 172.78 3ks6 s HIS 48 N 3.65 -0.58 -0.00 5.22 5.04 -0.76 -4.93 115.29 122.92 3ks6 s HIS 48 Ca 0.33 1.12 -0.00 0.00 -1.54 0.00 0.00 55.06 54.97 3ks6 s HIS 48 Cb -0.12 0.39 -0.00 0.00 0.04 0.00 0.00 32.58 32.90 3ks6 s HIS 48 CO 0.23 -0.46 0.23 1.25 -2.34 0.00 0.00 174.74 173.65 3ks6 h HIS 49 N 3.33 -0.01 -4.23 3.88 2.76 -1.93 -3.35 115.15 115.60 3ks6 h HIS 49 Ca -0.25 -0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.41 3ks6 h HIS 49 Cb 1.15 0.00 0.12 0.00 1.55 0.00 0.00 27.41 30.24 3ks6 h HIS 49 CO 0.35 -0.01 0.35 -0.51 -1.30 0.00 0.00 177.93 176.82 3ks6 s ASP 50 N -2.86 4.69 0.00 3.26 1.01 -1.26 -4.89 116.67 116.61 3ks6 s ASP 50 Ca -0.00 2.00 0.22 0.00 0.71 0.00 0.00 52.55 55.48 3ks6 s ASP 50 Cb 0.00 -2.55 1.12 0.00 1.01 0.00 0.00 42.92 42.50 3ks6 s ASP 50 CO 0.00 -1.91 1.72 -0.81 0.21 0.00 0.00 175.17 174.38 3ks6 n PRO 51 N -2.88 0.32 -4.43 8.23 -0.04 -1.26 -4.76 135.00 130.17 3ks6 n PRO 51 Ca 0.10 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.40 3ks6 n PRO 51 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.57 2.30 -1.47 0.52 -4.23 -1.26 -0.71 115.64 108.22 3ks6 s THR 52 Ca 0.21 -2.22 0.27 0.00 -1.18 0.00 0.00 61.69 58.78 3ks6 s THR 52 Cb 0.15 -2.17 0.28 0.00 1.34 0.00 0.00 72.50 72.10 3ks6 s THR 52 CO 0.34 -0.32 1.69 0.18 -0.54 0.00 0.00 174.62 175.97 3ks6 n LEU 53 N -0.21 0.59 -0.13 4.79 4.77 -0.36 -4.55 117.00 121.90 3ks6 n LEU 53 Ca -0.09 -0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.82 3ks6 n LEU 53 Cb 0.58 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3ks6 n LEU 53 CO 0.34 0.12 0.96 0.44 -1.33 0.00 0.00 177.39 177.91 3ks6 h ASP 54 N 0.57 0.17 -0.37 -1.43 5.19 -1.86 -2.39 116.42 116.29 3ks6 h ASP 54 Ca 0.00 0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.30 3ks6 h ASP 54 Cb 0.45 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3ks6 h ASP 54 CO 0.00 0.13 -0.37 0.00 -3.12 0.00 0.00 179.24 175.88 3ks6 h ALA 55 N 1.28 0.55 -0.17 3.45 0.00 -1.99 -3.34 119.26 119.04 3ks6 h ALA 55 Ca 0.20 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ks6 h ALA 55 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ks6 h ALA 55 CO -0.20 0.64 0.00 0.25 0.00 0.00 0.00 179.25 179.94 3ks6 n THR 56 N -4.09 0.78 -4.37 0.00 -2.24 -1.22 -5.00 114.28 98.14 3ks6 n THR 56 Ca -0.02 -0.89 -0.22 0.00 -2.27 0.00 0.00 64.05 60.65 3ks6 n THR 56 Cb 0.53 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.91 0.21 -0.25 4.28 -4.23 -0.90 -0.22 115.64 113.61 3ks6 s THR 57 Ca 0.13 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 3ks6 s THR 57 Cb 0.07 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.66 3ks6 s THR 57 CO 0.09 0.00 1.98 -0.90 -0.54 0.00 0.00 174.62 175.25 3ks6 n ASP 58 N -1.47 6.08 -3.50 3.99 5.75 -0.97 -4.77 116.55 121.66 3ks6 n ASP 58 Ca 0.02 -2.92 -0.14 0.00 -0.01 0.00 0.00 54.79 51.74 3ks6 n ASP 58 Cb 0.63 -1.05 -0.04 0.00 -1.03 0.00 0.00 41.12 39.63 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 -1.81 0.00 0.00 2.12 -1.32 -1.26 -5.00 115.64 108.37 3ks6 s THR 60 Ca 0.25 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 3ks6 s THR 60 Cb 0.19 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 3ks6 s THR 60 CO -0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3ks6 n GLY 61 N 0.43 3.01 3.72 6.08 0.00 -1.26 -4.81 105.19 112.36 3ks6 n GLY 61 Ca -0.16 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.71 3.22 0.33 4.61 0.00 -1.26 -1.23 121.76 124.72 3ks6 s ALA 62 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3ks6 s ALA 62 Cb 0.00 -3.25 0.58 0.00 0.00 0.00 0.00 23.12 20.45 3ks6 s ALA 62 CO 0.00 -0.15 1.96 0.82 0.00 0.00 0.00 175.76 178.39 3ks6 h ILE 63 N 4.58 1.12 0.00 0.00 2.04 -1.23 -1.71 117.51 122.31 3ks6 h ILE 63 Ca -0.42 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3ks6 h ILE 63 Cb 1.21 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3ks6 h ILE 63 CO 0.74 0.17 0.00 1.62 0.00 0.00 0.00 178.15 180.68 3ks6 h VAL 64 N 0.95 0.00 -0.51 1.67 3.04 -1.75 -3.33 116.25 116.32 3ks6 h VAL 64 Ca 0.31 -0.30 -0.31 0.00 -1.01 0.00 0.00 66.70 65.39 3ks6 h VAL 64 Cb 0.06 1.24 -0.15 0.00 -2.01 0.00 0.00 31.29 30.42 3ks6 h VAL 64 CO -0.09 0.00 0.40 0.47 -1.01 0.00 0.00 177.57 177.33 3ks6 n ASP 65 N -2.93 5.05 -4.58 3.17 8.00 -0.65 -2.49 116.55 122.13 3ks6 n ASP 65 Ca -0.00 -2.97 -0.24 0.00 0.71 0.00 0.00 54.79 52.28 3ks6 n ASP 65 Cb 0.21 -0.87 -0.08 0.00 -0.02 0.00 0.00 41.12 40.36 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 -2.09 3.15 0.32 -3.53 -4.23 -1.26 -4.77 115.64 103.22 3ks6 s THR 67 Ca 0.31 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 3ks6 s THR 67 Cb 0.25 -2.65 0.28 0.00 1.34 0.00 0.00 72.50 71.72 3ks6 s THR 67 CO 0.02 -0.31 1.95 0.25 -0.54 0.00 0.00 174.62 175.99 3ks6 h LEU 68 N 2.23 0.84 -0.36 4.79 5.85 -1.93 -1.80 115.31 124.92 3ks6 h LEU 68 Ca -0.44 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.31 3ks6 h LEU 68 Cb 1.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3ks6 h LEU 68 CO 0.59 0.56 0.16 0.00 -0.34 0.00 0.00 178.44 179.40 3ks6 h ALA 69 N 1.54 0.44 -0.16 1.25 0.00 -2.03 0.14 119.26 120.44 3ks6 h ALA 69 Ca 0.33 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.28 3ks6 h ALA 69 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ks6 h ALA 69 CO -0.11 -0.22 0.08 -0.22 0.00 0.00 0.00 179.25 178.77 3ks6 h LYS 70 N 0.33 0.16 -0.96 0.00 1.63 -1.89 -2.66 116.57 113.17 3ks6 h LYS 70 Ca 0.16 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.99 3ks6 h LYS 70 Cb 0.10 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.64 3ks6 h LYS 70 CO -0.14 0.11 0.63 0.28 -3.45 0.00 0.00 179.45 176.88 3ks6 h VAL 71 N 0.17 1.15 0.00 2.00 2.07 -0.86 -1.47 116.25 119.30 3ks6 h VAL 71 Ca 0.07 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ks6 h VAL 71 Cb 0.02 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.63 3ks6 h VAL 71 CO -0.05 0.22 0.00 0.11 0.02 0.00 0.00 177.57 177.87 3ks6 h LYS 72 N 1.20 0.00 0.00 1.57 1.79 -0.40 -1.71 116.57 119.02 3ks6 h LYS 72 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3ks6 h LYS 72 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3ks6 h LYS 72 CO -0.13 0.00 -0.04 0.25 -1.08 0.00 0.00 179.45 178.45 3ks6 n THR 73 N -2.73 0.44 -2.24 -0.16 -2.24 -0.56 -4.80 114.28 102.00 3ks6 n THR 73 Ca -0.00 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 3ks6 n THR 73 Cb 0.19 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.87 3ks6 n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ks6 s ALA 74 N -3.08 3.29 -0.14 6.98 0.00 -0.64 -5.04 121.76 123.12 3ks6 s ALA 74 Ca 0.11 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 3ks6 s ALA 74 Cb 0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3ks6 s ALA 74 CO 0.59 -0.55 -0.08 0.99 0.00 0.00 0.00 175.76 176.71 3ks6 s THR 75 N -1.29 3.50 -0.11 0.00 2.01 -1.26 -4.24 115.64 114.25 3ks6 s THR 75 Ca 0.53 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 3ks6 s THR 75 Cb -0.34 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 3ks6 s THR 75 CO 0.44 0.51 0.95 -0.63 -0.69 0.00 0.00 174.62 175.20 3ks6 s ILE 76 N 0.33 4.83 0.27 1.82 1.01 -0.69 -2.29 121.20 126.48 3ks6 s ILE 76 Ca -0.07 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 3ks6 s ILE 76 Cb -0.15 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 3ks6 s ILE 76 CO 0.04 0.03 1.43 0.00 0.00 0.00 0.00 174.94 176.45 3ks6 s ARG 77 N 1.91 4.26 -0.22 2.79 1.70 0.69 -1.10 118.95 128.98 3ks6 s ARG 77 Ca 0.46 2.33 0.00 0.00 -0.47 0.00 0.00 55.73 58.04 3ks6 s ARG 77 Cb -0.18 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.11 3ks6 s ARG 77 CO 0.17 -0.41 0.00 0.66 -1.08 0.00 0.00 175.30 174.65 3ks6 n TYR 78 N 1.93 0.00 -0.32 5.89 4.01 -1.26 -4.58 117.16 122.83 3ks6 n TYR 78 Ca 0.05 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.89 3ks6 n TYR 78 Cb 0.40 -1.07 0.27 0.00 -0.31 0.00 0.00 39.34 38.63 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 -1.42 2.60 3.90 2.72 0.00 -0.26 -4.51 105.19 108.22 3ks6 n GLY 79 Ca -0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 1.29 -1.46 -0.38 4.61 0.00 -1.26 -1.48 120.51 121.82 3ks6 n ALA 80 Ca 0.21 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3ks6 n ALA 80 Cb 0.57 -3.75 0.00 0.00 0.00 0.00 0.00 19.45 16.27 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 -1.67 1.02 3.81 0.00 0.00 -1.26 -5.04 105.19 102.05 3ks6 n GLY 81 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.02 5.18 0.27 1.61 1.04 -0.55 -4.82 113.70 113.40 3ks6 s SER 82 Ca 0.00 1.67 0.11 0.00 0.48 0.00 0.00 55.95 58.21 3ks6 s SER 82 Cb 0.00 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 3ks6 s SER 82 CO 0.00 -1.58 -0.16 -1.00 0.98 0.00 0.00 173.24 171.48 3ks6 s HIS 83 N -3.01 2.39 0.00 5.02 0.09 -1.26 -1.70 115.29 116.82 3ks6 s HIS 83 Ca 0.59 -0.30 0.00 0.00 -0.00 0.00 0.00 55.06 55.34 3ks6 s HIS 83 Cb -0.15 -1.05 0.00 0.00 -0.00 0.00 0.00 32.58 31.38 3ks6 s HIS 83 CO 0.55 0.68 0.00 -2.30 -0.00 0.00 0.00 174.74 173.67 3ks6 n PRO 84 N -0.62 0.37 -4.34 8.40 -0.02 -1.26 -4.66 135.00 132.87 3ks6 n PRO 84 Ca -0.06 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.24 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 -0.24 1.25 0.20 3.45 -4.23 -1.26 -4.85 115.64 109.95 3ks6 s THR 86 Ca 0.00 -2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 58.34 3ks6 s THR 86 Cb 0.00 -2.27 0.12 0.00 1.34 0.00 0.00 72.50 71.70 3ks6 s THR 86 CO 0.00 -0.41 1.80 0.25 -0.54 0.00 0.00 174.62 175.73 3ks6 h LEU 87 N 2.48 0.50 -0.14 4.79 5.85 -1.43 -1.01 115.31 126.35 3ks6 h LEU 87 Ca -0.38 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3ks6 h LEU 87 Cb 1.22 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 3ks6 h LEU 87 CO 0.65 0.33 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.52 3ks6 h GLU 88 N 0.64 -0.27 -0.88 1.25 3.07 -1.95 0.16 114.58 116.59 3ks6 h GLU 88 Ca 0.28 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.18 3ks6 h GLU 88 Cb 0.17 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.09 3ks6 h GLU 88 CO -0.17 -0.18 0.58 0.93 -1.40 0.00 0.00 179.01 178.76 3ks6 h GLU 89 N -0.28 1.11 -0.25 2.33 5.08 -1.89 -0.80 114.58 119.87 3ks6 h GLU 89 Ca 0.10 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3ks6 h GLU 89 Cb 0.44 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3ks6 h GLU 89 CO -0.31 0.73 -0.02 1.25 -1.00 0.00 0.00 179.01 179.67 3ks6 h LEU 90 N 1.14 0.45 -0.40 1.33 5.85 -0.14 -2.89 115.31 120.65 3ks6 h LEU 90 Ca 0.34 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3ks6 h LEU 90 Cb -0.05 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3ks6 h LEU 90 CO -0.09 0.67 0.08 0.00 -0.34 0.00 0.00 178.44 178.76 3ks6 h ALA 92 N 1.31 1.56 0.00 0.00 0.00 -1.09 0.16 119.26 121.19 3ks6 h ALA 92 Ca 0.20 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 3ks6 h ALA 92 Cb 0.24 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ks6 h ALA 92 CO -0.26 -0.43 -0.25 -0.07 0.00 0.00 0.00 179.25 178.24 3ks6 h LEU 93 N 0.34 0.00 0.00 0.00 3.38 -1.10 -3.33 115.31 114.60 3ks6 h LEU 93 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3ks6 h LEU 93 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ks6 h LEU 93 CO -0.58 0.25 -1.07 -1.22 0.09 0.00 0.00 178.44 175.90 3ks6 n TYR 94 N -3.50 0.00 -0.25 1.13 4.02 0.33 -4.61 117.16 114.28 3ks6 n TYR 94 Ca -0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 3ks6 n TYR 94 Cb 0.41 -0.14 0.41 0.00 -0.02 0.00 0.00 39.34 40.00 3ks6 n TYR 94 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 3ks6 h VAL 95 N 0.00 0.81 -0.57 -0.72 3.04 -1.06 0.97 116.25 118.71 3ks6 h VAL 95 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3ks6 h VAL 95 Cb 0.43 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.85 3ks6 h VAL 95 CO 0.00 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 177.14 3ks6 n ASP 96 N -4.55 3.68 -4.95 3.17 8.00 -1.26 -4.96 116.55 115.68 3ks6 n ASP 96 Ca 0.17 -1.99 -0.23 0.00 0.71 0.00 0.00 54.79 53.46 3ks6 n ASP 96 Cb 0.51 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.17 6.12 0.00 -2.24 0.15 0.33 -5.01 113.70 111.89 3ks6 s SER 97 Ca 0.43 0.29 0.27 0.00 0.70 0.00 0.00 55.95 57.63 3ks6 s SER 97 Cb 0.23 -1.77 0.86 0.00 -1.71 0.00 0.00 66.02 63.63 3ks6 s SER 97 CO 0.31 -0.41 1.64 0.00 1.20 0.00 0.00 173.24 175.98 3ks6 n HIS 98 N -1.82 0.00 -2.70 3.44 1.44 -1.26 -4.89 115.22 109.44 3ks6 n HIS 98 Ca -0.03 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.27 3ks6 n HIS 98 Cb 0.57 -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 -2.75 4.37 0.58 0.61 1.01 -1.26 -4.96 120.40 118.00 3ks6 s VAL 99 Ca 0.19 2.00 0.08 0.00 0.00 0.00 0.00 61.98 64.26 3ks6 s VAL 99 Cb 0.19 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 32.37 3ks6 s VAL 99 CO 0.58 0.32 0.69 0.20 0.00 0.00 0.00 175.10 176.89 3ks6 s ASN 100 N -0.10 4.90 -0.08 3.32 0.01 -0.31 -4.91 114.94 117.77 3ks6 s ASN 100 Ca 0.47 -1.03 -0.02 0.00 -0.71 0.00 0.00 52.86 51.57 3ks6 s ASN 100 Cb -0.24 0.46 -0.03 0.00 0.41 0.00 0.00 41.25 41.84 3ks6 s ASN 100 CO 0.31 -1.34 0.02 -0.36 -1.51 0.00 0.00 177.10 174.22 3ks6 s PHE 101 N -2.74 3.22 -0.30 2.20 0.08 -0.51 -1.54 117.98 118.40 3ks6 s PHE 101 Ca 0.53 0.23 0.01 0.00 0.12 0.00 0.00 56.93 57.83 3ks6 s PHE 101 Cb -0.04 -1.80 0.09 0.00 -0.57 0.00 0.00 43.02 40.70 3ks6 s PHE 101 CO 0.34 0.51 0.04 0.50 -0.10 0.00 0.00 175.22 176.50 3ks6 s ARG 102 N -0.98 1.23 -0.23 0.44 3.52 -0.16 -0.90 118.95 121.88 3ks6 s ARG 102 Ca 0.14 -1.32 -0.07 0.00 -0.13 0.00 0.00 55.73 54.35 3ks6 s ARG 102 Cb -0.11 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 30.67 3ks6 s ARG 102 CO 0.03 -0.86 0.04 0.00 -0.81 0.00 0.00 175.30 173.71 3ks6 s GLU 104 N 1.39 4.12 -0.36 0.00 2.12 0.05 -1.19 118.70 124.83 3ks6 s GLU 104 Ca 0.05 -0.03 -0.18 0.00 0.36 0.00 0.00 54.97 55.17 3ks6 s GLU 104 Cb -0.15 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.86 3ks6 s GLU 104 CO 0.02 0.35 0.53 0.42 -0.54 0.00 0.00 175.26 176.04 3ks6 s ILE 105 N 0.18 4.99 0.10 -3.70 -1.09 -0.03 -3.50 121.20 118.14 3ks6 s ILE 105 Ca 0.14 0.30 0.09 0.00 -2.23 0.00 0.00 60.65 58.95 3ks6 s ILE 105 Cb -0.12 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 3ks6 s ILE 105 CO 0.02 -0.27 -0.22 -0.54 -1.23 0.00 0.00 174.94 172.70 3ks6 s LYS 106 N 2.44 1.72 0.94 2.79 1.02 -1.26 -4.51 119.74 122.87 3ks6 s LYS 106 Ca 0.19 -1.19 -0.15 0.00 0.02 0.00 0.00 55.97 54.85 3ks6 s LYS 106 Cb -0.15 -2.04 0.19 0.00 -0.52 0.00 0.00 37.83 35.30 3ks6 s LYS 106 CO 0.14 0.49 1.29 -1.25 -0.92 0.00 0.00 175.35 175.10 3ks6 s PRO 107 N -1.85 0.78 0.06 -1.68 0.04 -1.26 -4.63 135.00 126.45 3ks6 s PRO 107 Ca 0.15 -0.44 -0.01 0.00 0.04 0.00 0.00 61.00 60.74 3ks6 s PRO 107 Cb -0.10 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3ks6 s PRO 107 CO 0.07 -2.30 0.08 0.41 0.04 0.00 0.00 177.00 175.30 3ks6 n GLY 108 N -3.68 -0.83 0.34 0.56 0.00 -0.80 -4.69 105.19 96.09 3ks6 n GLY 108 Ca 0.15 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.94 1.05 0.00 1.61 2.07 -1.89 -0.29 116.25 117.87 3ks6 h VAL 109 Ca -0.03 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3ks6 h VAL 109 Cb 0.08 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3ks6 h VAL 109 CO 0.02 0.12 0.00 -0.90 0.02 0.00 0.00 177.57 176.84 3ks6 n ASP 110 N -4.47 0.00 0.00 0.57 5.75 -1.26 -4.89 116.55 112.25 3ks6 n ASP 110 Ca 0.08 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.48 3ks6 n ASP 110 Cb 0.17 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 0.84 0.73 3.90 6.12 0.00 -0.12 -5.04 105.19 111.63 3ks6 n GLY 111 Ca 0.15 0.00 -0.33 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 4.34 0.51 0.99 1.43 -1.26 -4.80 118.68 119.88 3ks6 s LEU 112 Ca 0.00 0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 53.35 3ks6 s LEU 112 Cb 0.00 -2.93 -0.06 0.00 0.03 0.00 0.00 46.19 43.22 3ks6 s LEU 112 CO 0.00 0.17 1.33 -2.65 0.23 0.00 0.00 176.35 175.43 3ks6 n PRO 113 N 0.59 1.79 -2.15 1.29 -0.02 -1.26 -1.90 135.00 133.34 3ks6 n PRO 113 Ca -0.07 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3ks6 n PRO 113 Cb 0.52 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3ks6 n PRO 113 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3ks6 s TYR 114 N -1.27 2.60 0.15 6.00 2.02 -1.26 -4.84 117.35 120.76 3ks6 s TYR 114 Ca 0.68 0.63 -0.31 0.00 -0.37 0.00 0.00 57.07 57.70 3ks6 s TYR 114 Cb -0.44 -3.75 -0.08 0.00 -0.40 0.00 0.00 41.96 37.29 3ks6 s TYR 114 CO 0.52 -2.90 1.32 -1.21 -1.57 0.00 0.00 175.55 171.72 3ks6 s GLU 115 N 2.88 4.37 0.00 -0.62 0.41 -1.26 -2.75 118.70 121.72 3ks6 s GLU 115 Ca 0.67 2.02 0.00 0.00 -0.41 0.00 0.00 54.97 57.25 3ks6 s GLU 115 Cb -0.32 -3.23 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 3ks6 s GLU 115 CO 0.27 -0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 3ks6 n GLY 116 N 2.88 1.80 0.24 -1.39 0.00 -1.26 -4.91 105.19 102.56 3ks6 n GLY 116 Ca 0.08 0.00 -0.14 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 1.03 -0.52 1.61 3.57 -1.93 -2.87 116.94 117.83 3ks6 h PHE 117 Ca 0.00 -0.36 0.06 0.00 3.53 0.00 0.00 57.97 61.20 3ks6 h PHE 117 Cb 0.00 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 3ks6 h PHE 117 CO 0.00 1.17 0.23 0.28 -2.23 0.00 0.00 178.31 177.76 3ks6 h VAL 118 N 0.64 0.88 -0.78 1.41 2.07 -1.91 -0.60 116.25 117.96 3ks6 h VAL 118 Ca 0.02 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.41 3ks6 h VAL 118 Cb 1.13 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3ks6 h VAL 118 CO 0.12 0.08 0.50 0.00 0.02 0.00 0.00 177.57 178.29 3ks6 h ALA 119 N 1.32 1.00 -0.57 1.67 0.00 -1.94 -0.88 119.26 119.85 3ks6 h ALA 119 Ca 0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3ks6 h ALA 119 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ks6 h ALA 119 CO -0.21 0.35 0.05 -0.07 0.00 0.00 0.00 179.25 179.37 3ks6 h LEU 120 N 1.01 0.94 -0.20 0.00 3.38 -1.17 -0.64 115.31 118.64 3ks6 h LEU 120 Ca 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ks6 h LEU 120 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3ks6 h LEU 120 CO -0.09 0.99 0.08 0.58 0.09 0.00 0.00 178.44 180.09 3ks6 h VAL 121 N 0.86 1.17 -0.53 1.22 2.07 -0.80 -0.53 116.25 119.71 3ks6 h VAL 121 Ca 0.17 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3ks6 h VAL 121 Cb 0.48 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3ks6 h VAL 121 CO 0.02 0.16 0.35 0.40 0.02 0.00 0.00 177.57 178.52 3ks6 h ILE 122 N 0.16 1.14 -0.55 4.57 2.04 -1.00 -0.55 117.51 123.31 3ks6 h ILE 122 Ca 0.06 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3ks6 h ILE 122 Cb 0.18 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3ks6 h ILE 122 CO -0.00 0.13 0.27 0.00 0.00 0.00 0.00 178.15 178.54 3ks6 h ALA 123 N 1.19 0.71 -0.10 1.87 0.00 -0.96 -1.02 119.26 120.94 3ks6 h ALA 123 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ks6 h ALA 123 Cb -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ks6 h ALA 123 CO -0.04 0.26 0.07 0.78 0.00 0.00 0.00 179.25 180.32 3ks6 h GLY 124 N 0.74 0.15 1.21 0.00 0.00 -0.83 -0.49 103.07 103.84 3ks6 h GLY 124 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3ks6 h GLY 124 CO -0.02 0.06 0.35 1.41 0.00 0.00 0.00 176.54 178.33 3ks6 h LEU 125 N 0.13 0.92 -0.08 3.11 3.38 -0.87 -2.27 115.31 119.63 3ks6 h LEU 125 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ks6 h LEU 125 Cb -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ks6 h LEU 125 CO -0.01 0.77 0.02 -0.08 0.09 0.00 0.00 178.44 179.23 3ks6 h GLU 126 N 1.02 0.13 -0.96 1.13 4.57 -0.99 -2.18 114.58 117.30 3ks6 h GLU 126 Ca 0.25 -0.03 0.17 0.00 -1.18 0.00 0.00 59.36 58.57 3ks6 h GLU 126 Cb 0.09 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.56 3ks6 h GLU 126 CO -0.03 0.34 0.56 -0.09 -1.18 0.00 0.00 179.01 178.61 3ks6 h ARG 127 N -0.10 0.72 -0.59 1.92 2.43 -0.82 -1.56 114.38 116.39 3ks6 h ARG 127 Ca 0.02 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 3ks6 h ARG 127 Cb 0.27 -0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.56 3ks6 h ARG 127 CO 0.00 0.48 0.16 0.72 -1.51 0.00 0.00 179.97 179.82 3ks6 n HIS 128 N -4.79 1.95 -2.98 2.20 8.25 -0.88 -5.10 115.22 113.88 3ks6 n HIS 128 Ca 0.21 -1.18 -0.02 0.00 -0.26 0.00 0.00 57.72 56.47 3ks6 n HIS 128 Cb 0.51 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.35 -7.71 0.00 0.41 7.64 -0.59 -4.92 113.62 108.10 3ks6 n SER 129 Ca 0.36 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.29 3ks6 n SER 129 Cb 1.24 -5.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 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 -1.46 0.00 0.00 -3.43 7.94 -0.93 -4.79 117.00 114.33 3ks6 n LEU 131 Ca 0.02 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.01 3ks6 n LEU 131 Cb 0.49 0.00 0.53 0.00 0.53 0.00 0.00 43.42 44.97 3ks6 n LEU 131 CO 0.51 0.00 0.74 -0.62 -1.11 0.00 0.00 177.39 176.91 3ks6 n GLU 132 N 0.00 0.64 -0.08 1.96 -0.58 -1.26 -1.56 120.64 119.75 3ks6 n GLU 132 Ca 0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 3ks6 n GLU 132 Cb 0.00 -1.43 0.14 0.00 -0.57 0.00 0.00 31.44 29.57 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 -0.93 1.43 -4.99 3.49 1.74 -1.26 -5.04 116.66 111.10 3ks6 n ARG 133 Ca 0.13 -2.54 -0.32 0.00 -0.77 0.00 0.00 57.85 54.35 3ks6 n ARG 133 Cb 0.06 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 29.86 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 -2.78 2.69 -0.13 0.55 2.01 -0.60 -1.42 115.64 115.95 3ks6 s THR 134 Ca 0.31 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 3ks6 s THR 134 Cb 0.27 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3ks6 s THR 134 CO 0.03 0.56 0.14 -0.89 -0.69 0.00 0.00 174.62 173.77 3ks6 s THR 135 N -0.13 5.48 -0.13 -0.82 2.01 -0.07 -4.33 115.64 117.65 3ks6 s THR 135 Ca -0.03 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 3ks6 s THR 135 Cb -0.14 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3ks6 s THR 135 CO 0.04 0.59 0.05 -0.36 -0.69 0.00 0.00 174.62 174.25 3ks6 s PHE 136 N -0.79 3.28 0.15 4.92 0.08 -0.12 -0.69 117.98 124.82 3ks6 s PHE 136 Ca 0.14 0.20 0.07 0.00 0.12 0.00 0.00 56.93 57.46 3ks6 s PHE 136 Cb -0.12 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 3ks6 s PHE 136 CO 0.03 0.40 -0.15 -1.54 -0.10 0.00 0.00 175.22 173.86 3ks6 s SER 137 N -0.44 2.31 -0.10 1.36 1.04 -0.33 -0.38 113.70 117.16 3ks6 s SER 137 Ca 0.09 -0.88 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 3ks6 s SER 137 Cb -0.12 -0.11 0.09 0.00 0.10 0.00 0.00 66.02 65.99 3ks6 s SER 137 CO 0.02 -0.13 0.81 -0.55 0.98 0.00 0.00 173.24 174.37 3ks6 s SER 138 N -2.73 -0.55 0.42 7.02 0.15 -0.99 -0.86 113.70 116.16 3ks6 s SER 138 Ca 0.14 0.61 0.24 0.00 0.70 0.00 0.00 55.95 57.65 3ks6 s SER 138 Cb -0.04 0.47 0.48 0.00 -1.71 0.00 0.00 66.02 65.22 3ks6 s SER 138 CO 0.05 -0.49 1.66 -0.26 1.20 0.00 0.00 173.24 175.39 3ks6 h PHE 139 N 2.89 0.00 -3.60 3.44 -1.00 -1.79 -0.24 116.94 116.63 3ks6 h PHE 139 Ca -0.24 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 59.93 3ks6 h PHE 139 Cb 1.15 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 40.58 3ks6 h PHE 139 CO 0.34 0.00 -0.13 -0.51 -1.61 0.00 0.00 178.31 176.40 3ks6 s LEU 140 N -5.97 4.07 0.36 1.54 1.02 -1.26 -4.80 118.68 113.64 3ks6 s LEU 140 Ca 0.07 0.45 0.03 0.00 0.02 0.00 0.00 54.13 54.69 3ks6 s LEU 140 Cb 0.06 -2.55 0.66 0.00 0.02 0.00 0.00 46.19 44.38 3ks6 s LEU 140 CO 0.65 -0.20 2.01 -0.07 0.02 0.00 0.00 176.35 178.76 3ks6 h LEU 141 N 8.43 0.70 -0.82 1.79 3.38 -1.97 -2.25 115.31 124.57 3ks6 h LEU 141 Ca -0.32 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.70 3ks6 h LEU 141 Cb 1.15 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 3ks6 h LEU 141 CO 0.69 0.51 0.50 0.00 0.09 0.00 0.00 178.44 180.23 3ks6 h ALA 142 N 1.62 1.14 0.00 1.53 0.00 -2.01 -0.77 119.26 120.77 3ks6 h ALA 142 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ks6 h ALA 142 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3ks6 h ALA 142 CO -0.05 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.83 3ks6 n SER 143 N -4.67 1.94 0.00 0.00 7.64 -0.85 -1.60 113.62 116.07 3ks6 n SER 143 Ca 0.12 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.75 3ks6 n SER 143 Cb 0.20 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 1.04 0.00 -0.19 6.43 8.00 -0.30 -1.12 116.55 130.42 3ks6 n ASP 145 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 3ks6 n ASP 145 Cb 0.26 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.53 -0.56 -1.24 5.08 -1.56 -2.22 114.58 114.61 3ks6 h GLU 146 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ks6 h GLU 146 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3ks6 h GLU 146 CO 0.00 0.35 0.28 -0.07 -1.00 0.00 0.00 179.01 178.57 3ks6 h LEU 147 N 0.55 0.73 -1.10 1.33 3.38 -1.40 -1.40 115.31 117.40 3ks6 h LEU 147 Ca 0.26 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.17 3ks6 h LEU 147 Cb 0.18 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3ks6 h LEU 147 CO -0.18 0.65 0.61 -0.25 0.09 0.00 0.00 178.44 179.35 3ks6 h TRP 148 N 0.76 1.10 -0.24 1.13 7.01 -1.71 0.17 115.95 124.18 3ks6 h TRP 148 Ca 0.19 0.03 -0.18 0.00 2.11 0.00 0.00 58.89 61.04 3ks6 h TRP 148 Cb 0.10 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3ks6 h TRP 148 CO -0.00 0.57 -0.58 0.87 -2.79 0.00 0.00 178.44 176.51 3ks6 h LYS 149 N 1.08 0.75 0.00 2.65 6.56 -1.10 -3.37 116.57 123.14 3ks6 h LYS 149 Ca 0.40 -0.49 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 3ks6 h LYS 149 Cb 0.19 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3ks6 h LYS 149 CO -0.15 1.11 -0.88 0.00 -2.06 0.00 0.00 179.45 177.47 3ks6 h ALA 150 N 0.78 0.57 -2.52 3.86 0.00 -0.41 -3.48 119.26 118.06 3ks6 h ALA 150 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ks6 h ALA 150 Cb 1.16 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 3ks6 h ALA 150 CO 0.12 0.01 -0.20 -0.08 0.00 0.00 0.00 179.25 179.10 3ks6 s THR 151 N -3.34 0.07 -2.78 0.00 -1.32 -0.03 -5.01 115.64 103.22 3ks6 s THR 151 Ca 0.00 -0.56 0.25 0.00 -1.21 0.00 0.00 61.69 60.18 3ks6 s THR 151 Cb 0.09 -0.89 0.25 0.00 -1.51 0.00 0.00 72.50 70.44 3ks6 s THR 151 CO 0.77 -0.31 1.35 0.35 -2.21 0.00 0.00 174.62 174.58 3ks6 n THR 152 N 0.69 0.00 -1.36 5.08 -2.24 -1.26 -4.53 114.28 110.65 3ks6 n THR 152 Ca -0.19 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 60.84 3ks6 n THR 152 Cb 0.59 1.25 0.09 0.00 -2.10 0.00 0.00 70.33 70.16 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 -2.06 2.15 0.41 -0.78 1.81 -1.26 -4.93 118.95 114.29 3ks6 s ARG 153 Ca 0.29 1.50 -0.27 0.00 -1.72 0.00 0.00 55.73 55.54 3ks6 s ARG 153 Cb 0.20 -1.86 -0.10 0.00 -0.45 0.00 0.00 34.95 32.74 3ks6 s ARG 153 CO 0.34 -1.77 1.42 -2.30 -0.68 0.00 0.00 175.30 172.31 3ks6 n PRO 154 N -3.05 2.36 -4.32 3.54 -0.02 -1.26 -4.86 135.00 127.39 3ks6 n PRO 154 Ca 0.11 0.84 -0.28 0.00 -2.02 0.00 0.00 63.50 62.15 3ks6 n PRO 154 Cb 0.52 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 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 -2.25 1.86 -0.10 -0.52 0.52 -1.26 -0.94 118.95 116.27 3ks6 s ARG 155 Ca 0.58 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 3ks6 s ARG 155 Cb -0.48 -2.08 0.05 0.00 0.52 0.00 0.00 34.95 32.97 3ks6 s ARG 155 CO 0.60 0.44 0.19 -1.17 0.02 0.00 0.00 175.30 175.39 3ks6 s LEU 156 N -2.59 -0.12 -0.27 2.53 0.20 0.49 -4.26 118.68 114.67 3ks6 s LEU 156 Ca 0.22 0.42 -0.21 0.00 0.69 0.00 0.00 54.13 55.25 3ks6 s LEU 156 Cb -0.09 0.42 -0.01 0.00 -0.43 0.00 0.00 46.19 46.07 3ks6 s LEU 156 CO 0.13 -0.24 0.67 0.86 -0.29 0.00 0.00 176.35 177.48 3ks6 s TRP 157 N 2.28 3.26 -0.35 5.38 -0.00 -0.80 -2.35 118.94 126.37 3ks6 s TRP 157 Ca 0.02 0.81 -0.25 0.00 -0.00 0.00 0.00 56.10 56.69 3ks6 s TRP 157 Cb -0.12 -2.94 0.01 0.00 -0.00 0.00 0.00 33.47 30.42 3ks6 s TRP 157 CO -0.07 -0.39 0.86 -0.51 -0.00 0.00 0.00 176.95 176.85 3ks6 s LEU 158 N 2.62 4.05 -0.32 5.86 1.43 -0.10 -0.47 118.68 131.75 3ks6 s LEU 158 Ca 0.28 0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.84 3ks6 s LEU 158 Cb -0.15 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3ks6 s LEU 158 CO 0.09 -0.77 0.13 -0.69 0.23 0.00 0.00 176.35 175.34 3ks6 s VAL 159 N 3.27 4.31 0.65 -1.59 1.01 0.10 -4.25 120.40 123.88 3ks6 s VAL 159 Ca 0.35 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3ks6 s VAL 159 Cb -0.13 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3ks6 s VAL 159 CO 0.17 -0.00 1.06 -0.94 0.00 0.00 0.00 175.10 175.39 3ks6 s SER 160 N 1.55 5.49 0.27 3.32 1.04 -1.26 -4.24 113.70 119.87 3ks6 s SER 160 Ca 0.03 1.77 0.01 0.00 0.48 0.00 0.00 55.95 58.23 3ks6 s SER 160 Cb -0.18 -2.52 0.61 0.00 0.10 0.00 0.00 66.02 64.03 3ks6 s SER 160 CO 0.05 -1.36 1.73 -0.65 0.98 0.00 0.00 173.24 173.98 3ks6 h PRO 161 N -0.10 0.49 0.05 4.02 0.11 -1.98 0.49 132.00 135.09 3ks6 h PRO 161 Ca -0.46 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3ks6 h PRO 161 Cb 1.22 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3ks6 h PRO 161 CO 0.56 0.32 -0.10 0.77 -0.21 0.00 0.00 178.00 179.35 3ks6 h SER 162 N 0.51 -0.28 -0.20 -2.05 0.02 -1.99 -0.30 113.55 109.25 3ks6 h SER 162 Ca 0.50 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.48 3ks6 h SER 162 Cb 0.83 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 3ks6 h SER 162 CO -0.44 -0.15 0.11 0.58 -1.14 0.00 0.00 176.83 175.79 3ks6 h VAL 163 N -0.20 1.10 -0.78 2.27 2.07 -1.79 -1.09 116.25 117.83 3ks6 h VAL 163 Ca 0.02 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3ks6 h VAL 163 Cb 0.22 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3ks6 h VAL 163 CO -0.06 0.09 0.50 0.25 0.02 0.00 0.00 177.57 178.37 3ks6 h LEU 164 N 0.23 0.82 -0.29 2.57 5.85 -0.79 0.22 115.31 123.92 3ks6 h LEU 164 Ca 0.07 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 3ks6 h LEU 164 Cb 0.05 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3ks6 h LEU 164 CO -0.01 0.57 -0.43 -0.61 -0.34 0.00 0.00 178.44 177.61 3ks6 h GLN 165 N 0.97 0.80 0.05 1.25 4.15 -0.93 -0.72 115.11 120.68 3ks6 h GLN 165 Ca 0.31 -0.48 -0.11 0.00 0.77 0.00 0.00 58.65 59.15 3ks6 h GLN 165 Cb 0.01 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3ks6 h GLN 165 CO -0.11 1.11 -0.52 1.96 -1.93 0.00 0.00 178.83 179.33 3ks6 h GLN 166 N 0.57 0.10 -0.73 1.69 4.20 -1.08 -3.30 115.11 116.56 3ks6 h GLN 166 Ca 0.03 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 3ks6 h GLN 166 Cb 1.03 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 3ks6 h GLN 166 CO 0.10 1.08 0.25 -0.07 -0.67 0.00 0.00 178.83 179.52 3ks6 h LEU 167 N -0.77 1.02 0.00 1.46 4.07 -1.09 -3.50 115.31 116.50 3ks6 h LEU 167 Ca -0.11 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.67 3ks6 h LEU 167 Cb 1.28 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.76 3ks6 h LEU 167 CO 0.02 0.94 0.00 0.61 -1.08 0.00 0.00 178.44 178.92 3ks6 n GLY 168 N -0.84 -1.55 0.33 0.83 0.00 -0.28 -4.06 105.19 99.63 3ks6 n GLY 168 Ca 0.06 -1.47 0.01 0.00 0.00 0.00 0.00 46.02 44.62 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 0.87 -0.03 1.61 0.13 -1.93 -1.15 132.00 131.50 3ks6 h PRO 169 Ca 0.00 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.09 3ks6 h PRO 169 Cb 0.00 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 30.90 3ks6 h PRO 169 CO 0.00 0.61 -0.21 0.78 -0.23 0.00 0.00 178.00 178.95 3ks6 h GLY 170 N 0.92 -0.27 2.00 1.56 0.00 -1.95 -0.89 103.07 104.45 3ks6 h GLY 170 Ca 0.24 0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.67 3ks6 h GLY 170 CO -0.05 -0.18 -0.70 0.00 0.00 0.00 0.00 176.54 175.61 3ks6 h ALA 171 N 0.60 0.78 -0.21 3.60 0.00 -1.65 -1.84 119.26 120.55 3ks6 h ALA 171 Ca 0.07 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.35 3ks6 h ALA 171 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3ks6 h ALA 171 CO -0.21 0.87 0.12 0.28 0.00 0.00 0.00 179.25 180.31 3ks6 h VAL 172 N 0.00 1.03 -0.40 0.00 2.07 -0.90 -1.04 116.25 117.01 3ks6 h VAL 172 Ca -0.01 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3ks6 h VAL 172 Cb 1.29 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3ks6 h VAL 172 CO 0.09 0.05 0.24 0.40 0.02 0.00 0.00 177.57 178.37 3ks6 h ILE 173 N 0.26 1.13 -0.71 4.57 2.04 -1.04 -1.34 117.51 122.42 3ks6 h ILE 173 Ca 0.08 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.71 3ks6 h ILE 173 Cb -0.01 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3ks6 h ILE 173 CO -0.03 0.13 0.39 -0.33 0.00 0.00 0.00 178.15 178.31 3ks6 h GLU 174 N 0.53 0.68 -0.25 2.37 5.08 -1.20 -0.98 114.58 120.81 3ks6 h GLU 174 Ca 0.14 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3ks6 h GLU 174 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3ks6 h GLU 174 CO -0.03 0.45 0.03 1.15 -1.00 0.00 0.00 179.01 179.61 3ks6 h THR 175 N 0.70 1.24 -0.32 1.13 2.02 -0.88 0.11 112.91 116.90 3ks6 h THR 175 Ca 0.33 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.74 3ks6 h THR 175 Cb 0.24 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3ks6 h THR 175 CO -0.21 0.26 0.09 0.00 0.37 0.00 0.00 175.52 176.03 3ks6 h ALA 176 N 0.85 0.35 -0.22 6.16 0.00 -0.78 -1.34 119.26 124.28 3ks6 h ALA 176 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ks6 h ALA 176 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ks6 h ALA 176 CO 0.01 -0.31 0.13 0.82 0.00 0.00 0.00 179.25 179.89 3ks6 h ILE 177 N 0.22 1.03 -0.08 0.00 2.04 -1.02 -0.06 117.51 119.62 3ks6 h ILE 177 Ca 0.15 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3ks6 h ILE 177 Cb 0.14 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3ks6 h ILE 177 CO -0.17 0.05 0.06 0.00 0.00 0.00 0.00 178.15 178.08 3ks6 h ALA 178 N 1.09 1.98 -0.53 1.87 0.00 -0.44 -1.77 119.26 121.46 3ks6 h ALA 178 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ks6 h ALA 178 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ks6 h ALA 178 CO -0.04 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.95 3ks6 n HIS 179 N -4.52 0.71 -3.73 0.00 8.25 -0.53 -4.95 115.22 110.43 3ks6 n HIS 179 Ca -0.02 -0.35 -0.26 0.00 -0.26 0.00 0.00 57.72 56.83 3ks6 n HIS 179 Cb 0.11 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.27 3ks6 n HIS 179 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ks6 n SER 180 N 1.12 -5.32 -4.84 0.41 2.88 -0.67 -4.93 113.62 102.29 3ks6 n SER 180 Ca 0.19 -0.66 -0.37 0.00 -1.33 0.00 0.00 58.87 56.70 3ks6 n SER 180 Cb 0.47 -4.52 -0.06 0.00 -0.75 0.00 0.00 64.21 59.35 3ks6 n SER 180 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3ks6 s ILE 181 N -3.33 5.42 -0.33 2.46 1.01 -0.11 -5.01 121.20 121.30 3ks6 s ILE 181 Ca 0.57 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.56 3ks6 s ILE 181 Cb -0.27 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.76 3ks6 s ILE 181 CO 0.78 0.57 0.64 1.41 0.00 0.00 0.00 174.94 178.33 3ks6 n HIS 182 N 2.33 0.01 -3.72 3.97 8.25 -1.26 -4.36 115.22 120.43 3ks6 n HIS 182 Ca -0.18 -0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.10 3ks6 n HIS 182 Cb 0.54 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.31 0.52 0.25 -0.41 2.12 -1.26 -0.89 118.70 118.72 3ks6 s GLU 183 Ca 0.03 0.56 0.11 0.00 0.36 0.00 0.00 54.97 56.04 3ks6 s GLU 183 Cb 0.02 0.25 -0.05 0.00 0.26 0.00 0.00 34.13 34.62 3ks6 s GLU 183 CO 0.04 -0.07 -0.20 0.96 -0.54 0.00 0.00 175.26 175.45 3ks6 s ILE 184 N 0.14 2.30 -0.08 -3.70 -4.36 -0.73 -1.90 121.20 112.88 3ks6 s ILE 184 Ca -0.01 -2.30 0.02 0.00 -0.26 0.00 0.00 60.65 58.10 3ks6 s ILE 184 Cb -0.03 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.49 3ks6 s ILE 184 CO 0.01 -0.39 -0.11 -0.83 0.24 0.00 0.00 174.94 173.86 3ks6 s GLY 185 N -3.31 0.81 0.23 6.27 0.00 0.38 -2.30 107.32 109.40 3ks6 s GLY 185 Ca 0.27 -0.46 0.11 0.00 0.00 0.00 0.00 44.72 44.64 3ks6 s GLY 185 CO 0.12 0.29 -0.16 -1.34 0.00 0.00 0.00 173.10 172.01 3ks6 s VAL 186 N 0.93 2.72 0.27 1.40 -7.23 -0.76 -0.72 120.40 117.01 3ks6 s VAL 186 Ca -0.09 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.69 3ks6 s VAL 186 Cb -0.15 -2.38 -0.12 0.00 0.56 0.00 0.00 36.38 34.29 3ks6 s VAL 186 CO 0.00 -0.26 1.63 1.57 -0.31 0.00 0.00 175.10 177.74 3ks6 n HIS 187 N -0.27 2.84 -0.31 2.82 -0.00 -1.26 -1.33 115.22 117.72 3ks6 n HIS 187 Ca -0.09 0.20 0.17 0.00 0.46 0.00 0.00 57.72 58.47 3ks6 n HIS 187 Cb 0.58 -2.62 0.43 0.00 -0.12 0.00 0.00 29.99 28.26 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 3.46 0.66 0.00 3.57 6.09 -1.21 0.32 117.51 130.40 3ks6 h ILE 188 Ca -0.46 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 62.84 3ks6 h ILE 188 Cb 1.22 0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.57 3ks6 h ILE 188 CO 0.83 0.10 0.00 0.44 -3.07 0.00 0.00 178.15 176.45 3ks6 h ASP 189 N 0.55 0.00 -0.34 2.19 3.32 -1.89 -2.39 116.42 117.86 3ks6 h ASP 189 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 3ks6 h ASP 189 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3ks6 h ASP 189 CO -0.28 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.59 3ks6 n THR 190 N -2.54 0.49 -3.64 0.35 -2.24 0.09 -4.98 114.28 101.82 3ks6 n THR 190 Ca 0.01 -0.75 -0.32 0.00 -2.27 0.00 0.00 64.05 60.72 3ks6 n THR 190 Cb 0.21 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.40 3.76 0.27 6.98 0.00 -0.90 -4.97 121.76 125.51 3ks6 s ALA 191 Ca 0.35 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.60 3ks6 s ALA 191 Cb 0.20 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 21.17 3ks6 s ALA 191 CO 0.29 0.64 0.68 0.16 0.00 0.00 0.00 175.76 177.53 3ks6 s ASP 192 N -2.31 -0.24 0.33 0.00 1.47 -1.26 -5.04 116.67 109.62 3ks6 s ASP 192 Ca 0.40 -0.64 0.01 0.00 1.18 0.00 0.00 52.55 53.50 3ks6 s ASP 192 Cb -0.12 0.70 0.57 0.00 -0.34 0.00 0.00 42.92 43.73 3ks6 s ASP 192 CO 0.23 -1.31 1.98 0.00 0.68 0.00 0.00 175.17 176.75 3ks6 h ALA 193 N 2.04 1.52 -0.28 2.11 0.00 -1.98 -2.92 119.26 119.75 3ks6 h ALA 193 Ca -0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3ks6 h ALA 193 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ks6 h ALA 193 CO 0.25 0.42 0.15 0.78 0.00 0.00 0.00 179.25 180.85 3ks6 h GLY 194 N 0.96 0.42 -1.69 0.00 0.00 -2.02 -1.07 103.07 99.68 3ks6 h GLY 194 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3ks6 h GLY 194 CO -0.08 0.19 0.00 -0.10 0.00 0.00 0.00 176.54 176.55 3ks6 n LEU 195 N -4.82 0.44 0.00 3.11 7.94 -1.10 -1.56 117.00 121.01 3ks6 n LEU 195 Ca -0.02 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.66 3ks6 n LEU 195 Cb 0.09 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 43.94 3ks6 n LEU 195 CO 0.35 0.08 0.00 0.00 -1.11 0.00 0.00 177.39 176.71 3ks6 n ALA 197 N 0.75 0.00 -0.24 1.96 0.00 -0.41 -1.06 120.51 121.51 3ks6 n ALA 197 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3ks6 n ALA 197 Cb 0.08 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.58 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 0.94 -0.26 0.00 4.15 -1.55 -0.02 115.11 118.37 3ks6 h GLN 198 Ca 0.00 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 3ks6 h GLN 198 Cb 0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3ks6 h GLN 198 CO 0.00 0.70 0.00 0.28 -1.93 0.00 0.00 178.83 177.88 3ks6 h VAL 199 N 0.92 1.25 -0.23 2.39 2.07 -1.37 -3.07 116.25 118.22 3ks6 h VAL 199 Ca 0.24 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 3ks6 h VAL 199 Cb 0.03 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3ks6 h VAL 199 CO -0.04 0.29 -0.27 1.56 0.02 0.00 0.00 177.57 179.13 3ks6 h GLN 200 N 0.24 0.45 -0.13 1.57 4.20 -1.59 -2.24 115.11 117.61 3ks6 h GLN 200 Ca 0.07 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.65 3ks6 h GLN 200 Cb 0.41 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3ks6 h GLN 200 CO 0.01 0.68 0.14 0.00 -0.67 0.00 0.00 178.83 179.00 3ks6 h ALA 201 N 1.32 1.73 -0.22 3.87 0.00 -0.91 0.49 119.26 125.55 3ks6 h ALA 201 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ks6 h ALA 201 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ks6 h ALA 201 CO 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.09 3ks6 n ALA 202 N -2.33 2.50 -1.00 0.00 0.00 -0.87 -4.90 120.51 113.91 3ks6 n ALA 202 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 53.44 52.90 3ks6 n ALA 202 Cb 0.25 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.10 0.39 3.83 0.00 0.00 0.16 -5.05 105.19 105.62 3ks6 n GLY 203 Ca 0.15 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 4.10 0.52 0.99 1.43 -1.08 -4.94 118.68 119.71 3ks6 s LEU 204 Ca 0.00 0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 3ks6 s LEU 204 Cb 0.00 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.89 3ks6 s LEU 204 CO 0.00 0.32 1.00 -1.81 0.23 0.00 0.00 176.35 176.09 3ks6 s ASP 205 N -1.52 6.45 -0.06 2.29 1.01 -0.07 -3.61 116.67 121.16 3ks6 s ASP 205 Ca 0.21 1.65 0.00 0.00 0.71 0.00 0.00 52.55 55.12 3ks6 s ASP 205 Cb -0.12 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.31 3ks6 s ASP 205 CO 0.11 -0.71 -0.04 0.12 0.21 0.00 0.00 175.17 174.86 3ks6 s PHE 206 N -2.53 0.84 0.24 4.23 5.36 -1.26 -1.77 117.98 123.11 3ks6 s PHE 206 Ca 0.61 -0.27 0.03 0.00 -0.96 0.00 0.00 56.93 56.34 3ks6 s PHE 206 Cb -0.11 -0.78 -0.01 0.00 -0.34 0.00 0.00 43.02 41.78 3ks6 s PHE 206 CO 0.31 -0.26 0.26 0.41 -1.46 0.00 0.00 175.22 174.47 3ks6 n GLY 207 N 4.38 2.93 3.30 13.12 0.00 -0.97 -0.89 105.19 127.06 3ks6 n GLY 207 Ca -0.19 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.80 0.75 -1.55 0.00 1.48 -0.44 -2.40 118.94 112.98 3ks6 s TRP 209 Ca 0.38 -1.06 0.00 0.00 -1.06 0.00 0.00 56.10 54.36 3ks6 s TRP 209 Cb 0.07 -0.25 0.00 0.00 -1.16 0.00 0.00 33.47 32.13 3ks6 s TRP 209 CO 0.14 -0.73 0.00 0.00 -4.06 0.00 0.00 176.95 172.30 3ks6 n ALA 210 N -0.26 -0.52 -2.94 2.67 0.00 -1.23 -0.73 120.51 117.50 3ks6 n ALA 210 Ca -0.02 0.15 -0.44 0.00 0.00 0.00 0.00 53.44 53.13 3ks6 n ALA 210 Cb 0.64 -1.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.88 3.73 -0.02 0.00 0.00 -0.94 -4.71 121.76 116.93 3ks6 s ALA 211 Ca 0.00 -3.11 0.15 0.00 0.00 0.00 0.00 51.96 49.00 3ks6 s ALA 211 Cb 0.00 -4.09 -0.23 0.00 0.00 0.00 0.00 23.12 18.80 3ks6 s ALA 211 CO 0.00 -2.86 0.32 0.72 0.00 0.00 0.00 175.76 173.94 3ks6 n HIS 212 N 6.03 0.00 -4.01 0.00 8.25 -1.26 -4.28 115.22 119.95 3ks6 n HIS 212 Ca 0.31 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.55 3ks6 n HIS 212 Cb 0.46 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 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 -3.00 3.50 0.23 1.59 -4.23 -1.26 -4.54 115.64 107.92 3ks6 s THR 213 Ca -0.05 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 58.84 3ks6 s THR 213 Cb 0.09 -3.11 0.18 0.00 1.34 0.00 0.00 72.50 71.00 3ks6 s THR 213 CO 0.61 -0.23 1.82 -0.65 -0.54 0.00 0.00 174.62 175.63 3ks6 h PRO 214 N 1.46 0.78 -0.22 3.99 0.11 -1.99 -0.16 132.00 135.98 3ks6 h PRO 214 Ca -0.45 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3ks6 h PRO 214 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3ks6 h PRO 214 CO 0.61 0.52 -0.22 0.66 -0.21 0.00 0.00 178.00 179.36 3ks6 h SER 215 N 0.80 0.39 -0.11 -2.05 4.64 -1.98 0.15 113.55 115.40 3ks6 h SER 215 Ca 0.35 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 3ks6 h SER 215 Cb 0.22 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3ks6 h SER 215 CO -0.19 0.62 -0.16 1.56 -0.87 0.00 0.00 176.83 177.79 3ks6 h GLN 216 N 0.36 0.29 -0.42 4.77 4.20 -1.78 -1.37 115.11 121.16 3ks6 h GLN 216 Ca 0.06 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3ks6 h GLN 216 Cb 0.58 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 3ks6 h GLN 216 CO 0.04 0.75 0.28 0.82 -0.67 0.00 0.00 178.83 180.05 3ks6 h ILE 217 N -0.13 1.11 -0.80 2.54 2.04 -0.94 -0.86 117.51 120.47 3ks6 h ILE 217 Ca 0.01 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3ks6 h ILE 217 Cb 0.72 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3ks6 h ILE 217 CO 0.04 0.11 0.39 0.74 0.00 0.00 0.00 178.15 179.42 3ks6 h THR 218 N 0.57 1.25 -0.25 -0.27 2.02 -0.75 -1.14 112.91 114.34 3ks6 h THR 218 Ca 0.15 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 3ks6 h THR 218 Cb -0.06 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3ks6 h THR 218 CO -0.03 0.29 0.15 0.50 0.37 0.00 0.00 175.52 176.80 3ks6 h LYS 219 N 1.13 0.34 -0.40 6.66 3.64 -0.93 0.35 116.57 127.37 3ks6 h LYS 219 Ca 0.28 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3ks6 h LYS 219 Cb 0.11 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3ks6 h LYS 219 CO -0.04 0.27 0.17 0.00 -2.27 0.00 0.00 179.45 177.59 3ks6 h ALA 220 N 1.05 0.48 -0.34 5.00 0.00 -0.80 -0.25 119.26 124.40 3ks6 h ALA 220 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ks6 h ALA 220 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ks6 h ALA 220 CO -0.02 -0.21 0.07 -0.07 0.00 0.00 0.00 179.25 179.02 3ks6 h LEU 221 N 0.35 0.53 -0.86 0.00 3.38 -0.98 -2.66 115.31 115.07 3ks6 h LEU 221 Ca 0.18 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ks6 h LEU 221 Cb 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3ks6 h LEU 221 CO -0.15 0.64 0.56 0.44 0.09 0.00 0.00 178.44 180.01 3ks6 h ASP 222 N 0.39 0.99 0.75 -0.43 3.32 -0.03 -1.80 116.42 119.60 3ks6 h ASP 222 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ks6 h ASP 222 Cb 0.33 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3ks6 h ASP 222 CO 0.00 0.73 0.00 -0.07 -1.72 0.00 0.00 179.24 178.18 3ks6 h LEU 223 N 1.16 0.00 0.16 1.55 3.38 -1.03 -3.47 115.31 117.06 3ks6 h LEU 223 Ca 0.31 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.10 3ks6 h LEU 223 Cb -0.12 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.66 3ks6 h LEU 223 CO -0.07 0.00 -0.28 0.61 0.09 0.00 0.00 178.44 178.80 3ks6 n GLY 224 N -0.19 0.13 3.75 0.83 0.00 -0.68 -5.01 105.19 104.02 3ks6 n GLY 224 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.83 3.06 0.22 1.61 -7.23 -1.05 -4.87 120.40 109.32 3ks6 s VAL 225 Ca 0.14 0.34 -0.08 0.00 -1.81 0.00 0.00 61.98 60.57 3ks6 s VAL 225 Cb -0.06 -2.74 0.19 0.00 0.56 0.00 0.00 36.38 34.33 3ks6 s VAL 225 CO 0.17 -0.45 1.88 0.50 -0.31 0.00 0.00 175.10 176.89 3ks6 h LYS 226 N -1.29 1.15 -1.85 4.82 3.64 -1.38 -3.38 116.57 118.27 3ks6 h LYS 226 Ca -0.44 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 58.90 3ks6 h LYS 226 Cb 1.24 -0.25 -0.20 0.00 -0.41 0.00 0.00 32.23 32.61 3ks6 h LYS 226 CO 0.49 0.79 0.43 0.54 -2.27 0.00 0.00 179.45 179.44 3ks6 s VAL 227 N -6.03 0.00 0.01 2.00 0.11 -1.26 -1.06 120.40 114.17 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 0.16 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 3ks6 s VAL 227 CO 0.80 0.00 0.04 0.72 -3.33 0.00 0.00 175.10 173.34 3ks6 s PHE 228 N -1.58 0.12 0.06 1.54 -0.12 -0.59 -1.42 117.98 115.99 3ks6 s PHE 228 Ca -0.03 -0.26 -0.10 0.00 -0.05 0.00 0.00 56.93 56.49 3ks6 s PHE 228 Cb -0.00 -0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.23 3ks6 s PHE 228 CO 0.01 -0.19 0.39 0.95 -0.05 0.00 0.00 175.22 176.33 3ks6 s THR 229 N -1.13 5.10 -0.06 -4.49 -4.23 -1.01 -1.12 115.64 108.70 3ks6 s THR 229 Ca -0.12 0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 60.81 3ks6 s THR 229 Cb -0.07 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.14 3ks6 s THR 229 CO 0.00 0.35 0.21 0.28 -0.54 0.00 0.00 174.62 174.92 3ks6 s THR 230 N -1.33 0.02 -1.52 3.99 -1.32 -0.69 -2.21 115.64 112.58 3ks6 s THR 230 Ca 0.31 -0.18 0.28 0.00 -1.21 0.00 0.00 61.69 60.89 3ks6 s THR 230 Cb -0.14 -0.36 0.39 0.00 -1.51 0.00 0.00 72.50 70.88 3ks6 s THR 230 CO 0.17 -0.10 1.83 0.47 -2.21 0.00 0.00 174.62 174.78 3ks6 n ASP 231 N 2.52 0.42 -3.21 8.08 8.00 -1.26 -0.51 116.55 130.58 3ks6 n ASP 231 Ca -0.15 -0.43 -0.26 0.00 0.71 0.00 0.00 54.79 54.66 3ks6 n ASP 231 Cb 0.58 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.06 2.30 -0.14 -1.24 1.74 -1.26 -2.10 116.66 114.90 3ks6 n ARG 232 Ca 0.13 -4.37 0.06 0.00 -0.77 0.00 0.00 57.85 52.90 3ks6 n ARG 232 Cb 0.29 -2.03 0.38 0.00 -1.02 0.00 0.00 32.46 30.07 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 3.65 0.67 -0.35 5.56 0.13 -1.92 -1.29 132.00 138.45 3ks6 h PRO 233 Ca 0.15 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 3ks6 h PRO 233 Cb 0.68 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3ks6 h PRO 233 CO 0.74 0.45 0.10 1.15 -0.23 0.00 0.00 178.00 180.21 3ks6 h THR 234 N 0.69 1.21 -0.27 1.56 2.02 -1.97 -0.46 112.91 115.70 3ks6 h THR 234 Ca 0.27 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 3ks6 h THR 234 Cb 0.21 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3ks6 h THR 234 CO -0.08 0.24 -0.25 0.25 0.37 0.00 0.00 175.52 176.05 3ks6 h LEU 235 N 0.42 0.53 -0.32 2.58 5.85 -1.86 -2.54 115.31 119.97 3ks6 h LEU 235 Ca 0.11 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3ks6 h LEU 235 Cb 0.27 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3ks6 h LEU 235 CO -0.00 0.77 0.01 0.00 -0.34 0.00 0.00 178.44 178.88 3ks6 h ALA 236 N 1.27 0.43 -0.47 1.25 0.00 -0.83 -0.07 119.26 120.83 3ks6 h ALA 236 Ca 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ks6 h ALA 236 Cb 0.68 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3ks6 h ALA 236 CO 0.05 0.17 0.29 0.82 0.00 0.00 0.00 179.25 180.58 3ks6 h ILE 237 N 0.36 1.06 -0.48 0.00 2.04 -1.03 -1.19 117.51 118.28 3ks6 h ILE 237 Ca 0.09 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3ks6 h ILE 237 Cb 0.43 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3ks6 h ILE 237 CO 0.01 0.11 0.15 0.00 0.00 0.00 0.00 178.15 178.42 3ks6 h ALA 238 N 1.20 0.62 -0.27 1.87 0.00 -1.23 -1.50 119.26 119.97 3ks6 h ALA 238 Ca 0.19 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3ks6 h ALA 238 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ks6 h ALA 238 CO -0.08 0.28 -0.23 -0.07 0.00 0.00 0.00 179.25 179.15 3ks6 h LEU 239 N 0.64 0.51 -0.18 0.00 3.38 -0.87 -1.81 115.31 116.97 3ks6 h LEU 239 Ca 0.15 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3ks6 h LEU 239 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ks6 h LEU 239 CO -0.01 0.74 -0.38 -0.09 0.09 0.00 0.00 178.44 178.79 3ks6 h ARG 240 N 0.45 0.58 -0.33 1.13 2.43 -0.99 0.62 114.38 118.27 3ks6 h ARG 240 Ca 0.07 -0.38 0.06 0.00 -0.81 0.00 0.00 59.98 58.92 3ks6 h ARG 240 Cb 0.65 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 3ks6 h ARG 240 CO 0.05 0.99 -0.03 1.15 -1.51 0.00 0.00 179.97 180.62 3ks6 h THR 241 N 0.24 0.73 -0.23 0.20 2.02 -1.20 0.35 112.91 115.01 3ks6 h THR 241 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3ks6 h THR 241 Cb 0.98 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3ks6 h THR 241 CO 0.08 0.01 -0.04 -0.08 0.37 0.00 0.00 175.52 175.86 3ks6 h GLU 242 N 0.06 0.36 -0.22 6.66 4.81 -1.14 -2.95 114.58 122.16 3ks6 h GLU 242 Ca 0.16 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3ks6 h GLU 242 Cb 0.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3ks6 h GLU 242 CO -0.29 0.42 -0.11 1.25 -0.73 0.00 0.00 179.01 179.55 3ks6 h HIS 243 N 0.34 0.53 0.00 0.92 2.76 -0.16 -2.88 115.15 116.67 3ks6 h HIS 243 Ca 0.08 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 3ks6 h HIS 243 Cb 0.30 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3ks6 h HIS 243 CO 0.01 0.75 0.00 0.54 -1.30 0.00 0.00 177.93 177.93 3ks6 n ARG 244 N -4.52 0.00 0.00 5.26 1.74 0.05 -5.09 116.66 114.09 3ks6 n ARG 244 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3ks6 n ARG 244 Cb 0.34 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 3ks6 n ARG 244 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26