#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkk s THR 3 N 0.00 2.09 0.15 12.58 2.01 -1.26 -2.83 115.64 128.37 3kkk s THR 3 Ca 0.00 -1.09 0.08 0.00 0.31 0.00 0.00 61.69 60.99 3kkk s THR 3 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 3kkk s THR 3 CO 0.00 0.58 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.11 3kkk s TYR 4 N -0.59 2.69 -0.14 4.92 2.02 -0.15 -4.96 117.35 121.14 3kkk s TYR 4 Ca 0.09 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 3kkk s TYR 4 Cb -0.10 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 3kkk s TYR 4 CO -0.01 0.47 -0.20 0.99 -1.57 0.00 0.00 175.55 175.24 3kkk s THR 5 N -1.48 2.27 -0.05 -0.71 2.01 -1.26 -0.95 115.64 115.47 3kkk s THR 5 Ca 0.23 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.39 3kkk s THR 5 Cb -0.10 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 3kkk s THR 5 CO 0.15 0.54 -0.25 -0.22 -0.69 0.00 0.00 174.62 174.14 3kkk s LEU 6 N 0.78 2.07 -0.10 4.42 2.96 0.09 -4.29 118.68 124.61 3kkk s LEU 6 Ca -0.07 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 3kkk s LEU 6 Cb -0.16 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 3kkk s LEU 6 CO -0.01 0.26 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.45 3kkk s VAL 7 N -0.24 3.02 0.01 1.68 1.01 -1.04 -0.13 120.40 124.71 3kkk s VAL 7 Ca -0.01 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.33 3kkk s VAL 7 Cb -0.13 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3kkk s VAL 7 CO 0.03 0.55 -0.19 -0.76 0.00 0.00 0.00 175.10 174.72 3kkk s LEU 8 N -0.05 2.49 -0.07 3.92 1.43 0.20 -0.87 118.68 125.73 3kkk s LEU 8 Ca -0.03 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3kkk s LEU 8 Cb -0.14 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.65 3kkk s LEU 8 CO 0.04 0.29 0.14 -0.22 0.23 0.00 0.00 176.35 176.83 3kkk s LEU 9 N -1.10 0.57 -0.12 1.79 2.96 -0.36 0.43 118.68 122.85 3kkk s LEU 9 Ca 0.13 0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 54.19 3kkk s LEU 9 Cb -0.10 0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.86 3kkk s LEU 9 CO 0.03 -0.17 0.31 -0.60 -1.32 0.00 0.00 176.35 174.60 3kkk s ARG 10 N 1.40 4.11 0.73 1.98 3.52 -1.26 -1.37 118.95 128.06 3kkk s ARG 10 Ca -0.07 0.15 -0.15 0.00 -0.13 0.00 0.00 55.73 55.54 3kkk s ARG 10 Cb -0.12 -3.36 0.04 0.00 -1.56 0.00 0.00 34.95 29.95 3kkk s ARG 10 CO -0.06 0.37 1.19 -3.38 -0.81 0.00 0.00 175.30 172.61 3kkk s HIS 11 N 0.04 2.11 0.00 5.12 -3.43 -0.77 -0.90 115.29 117.45 3kkk s HIS 11 Ca 0.18 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.05 3kkk s HIS 11 Cb -0.14 -3.41 0.00 0.00 -1.43 0.00 0.00 32.58 27.60 3kkk s HIS 11 CO 0.06 -2.48 0.00 0.41 -2.00 0.00 0.00 174.74 170.73 3kkk n GLY 12 N 0.22 -1.58 3.70 -1.38 0.00 -1.26 -4.36 105.19 100.53 3kkk n GLY 12 Ca 0.13 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3kkk n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kkk s GLU 13 N -1.09 4.26 0.87 1.61 2.12 -1.26 -4.90 118.70 120.30 3kkk s GLU 13 Ca 0.00 2.12 -0.13 0.00 0.36 0.00 0.00 54.97 57.33 3kkk s GLU 13 Cb 0.00 -3.50 0.12 0.00 0.26 0.00 0.00 34.13 31.01 3kkk s GLU 13 CO 0.00 -0.60 1.18 -1.54 -0.54 0.00 0.00 175.26 173.76 3kkk s SER 14 N 1.87 3.96 0.41 -1.70 1.04 -1.26 -0.09 113.70 117.92 3kkk s SER 14 Ca 0.67 0.77 0.19 0.00 0.48 0.00 0.00 55.95 58.06 3kkk s SER 14 Cb -0.36 -1.22 0.86 0.00 0.10 0.00 0.00 66.02 65.41 3kkk s SER 14 CO 0.29 -2.25 1.84 0.71 0.98 0.00 0.00 173.24 174.81 3kkk h THR 15 N -1.29 0.94 0.00 2.02 1.35 -1.52 -3.15 112.91 111.25 3kkk h THR 15 Ca -0.47 -1.23 -0.10 0.00 -0.55 0.00 0.00 66.41 64.06 3kkk h THR 15 Cb 1.32 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 3kkk h THR 15 CO 0.61 0.31 -0.59 -0.50 -0.25 0.00 0.00 175.52 175.11 3kkk h TRP 16 N 0.00 0.00 -0.98 4.73 4.06 -1.94 -3.16 115.95 118.67 3kkk h TRP 16 Ca -0.00 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.05 3kkk h TRP 16 Cb 0.70 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.78 3kkk h TRP 16 CO 0.00 0.43 0.61 -0.91 -3.56 0.00 0.00 178.44 175.01 3kkk h ASN 17 N 0.00 0.91 -0.46 -3.49 -0.26 -1.83 0.47 115.58 110.93 3kkk h ASN 17 Ca -0.03 0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.66 3kkk h ASN 17 Cb 1.35 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.45 3kkk h ASN 17 CO 0.05 0.51 -0.07 0.11 -1.06 0.00 0.00 177.43 176.97 3kkk h LYS 18 N 1.00 0.86 0.00 0.81 1.57 -1.68 -3.11 116.57 116.02 3kkk h LYS 18 Ca 0.47 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3kkk h LYS 18 Cb 0.41 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3kkk h LYS 18 CO -0.25 0.94 0.00 0.93 -0.57 0.00 0.00 179.45 180.51 3kkk h GLU 19 N 0.70 0.00 -4.11 3.15 5.08 -1.33 -3.48 114.58 114.59 3kkk h GLU 19 Ca 0.12 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.29 3kkk h GLU 19 Cb 0.61 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.95 3kkk h GLU 19 CO 0.04 0.00 -0.44 -1.71 -1.00 0.00 0.00 179.01 175.89 3kkk n ASN 20 N -3.09 -2.04 -4.63 1.42 5.15 0.16 -4.95 115.26 107.28 3kkk n ASN 20 Ca 0.02 -0.36 -0.29 0.00 -0.60 0.00 0.00 54.58 53.35 3kkk n ASN 20 Cb 0.42 -3.17 -0.09 0.00 -0.53 0.00 0.00 39.78 36.41 3kkk n ASN 20 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kkk s LYS 21 N -4.78 2.31 -0.04 1.20 1.02 -1.09 -2.73 119.74 115.63 3kkk s LYS 21 Ca 0.00 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 3kkk s LYS 21 Cb -0.00 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 3kkk s LYS 21 CO 0.42 0.51 1.49 -0.06 -0.92 0.00 0.00 175.35 176.78 3kkk s PHE 22 N -1.36 2.50 -0.04 3.18 0.08 -0.97 -4.72 117.98 116.66 3kkk s PHE 22 Ca 0.24 0.59 -0.02 0.00 0.12 0.00 0.00 56.93 57.86 3kkk s PHE 22 Cb -0.11 -3.75 -0.01 0.00 -0.57 0.00 0.00 43.02 38.58 3kkk s PHE 22 CO 0.16 -2.94 -0.04 1.15 -0.10 0.00 0.00 175.22 173.45 3kkk h THR 23 N 5.24 0.00 0.00 0.64 2.02 -1.92 -1.59 112.91 117.30 3kkk h THR 23 Ca -0.37 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3kkk h THR 23 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3kkk h THR 23 CO 0.94 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.44 3kkk n GLY 24 N 1.75 2.66 0.00 2.16 0.00 -1.26 -2.07 105.19 108.43 3kkk n GLY 24 Ca -0.02 -0.30 0.15 0.00 0.00 0.00 0.00 46.02 45.86 3kkk n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kkk n TRP 25 N 13.46 0.00 -1.69 1.61 7.02 -1.26 -4.69 117.44 131.89 3kkk n TRP 25 Ca 0.00 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.04 3kkk n TRP 25 Cb 0.00 -0.13 -0.04 0.00 -2.42 0.00 0.00 31.31 28.73 3kkk n TRP 25 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3kkk n THR 26 N -1.13 0.04 -2.07 -0.99 -1.04 -0.88 -4.84 114.28 103.37 3kkk n THR 26 Ca 0.19 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.79 3kkk n THR 26 Cb 0.17 -1.76 -0.00 0.00 -1.82 0.00 0.00 70.33 66.92 3kkk n THR 26 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3kkk n ASP 27 N 3.85 7.41 -4.84 8.00 2.03 -1.26 -4.98 116.55 126.76 3kkk n ASP 27 Ca 0.17 -3.13 -0.32 0.00 0.52 0.00 0.00 54.79 52.02 3kkk n ASP 27 Cb 0.32 -1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 39.27 3kkk n ASP 27 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3kkk s VAL 28 N -0.81 4.60 0.63 5.18 -7.23 -1.26 -4.78 120.40 116.72 3kkk s VAL 28 Ca 0.51 1.09 -0.08 0.00 -1.81 0.00 0.00 61.98 61.68 3kkk s VAL 28 Cb 0.16 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.50 3kkk s VAL 28 CO -0.07 -0.25 0.97 -2.16 -0.31 0.00 0.00 175.10 173.29 3kkk s PRO 29 N -3.09 2.98 0.49 4.82 0.04 -1.26 -3.75 135.00 135.22 3kkk s PRO 29 Ca 0.56 0.23 -0.23 0.00 0.04 0.00 0.00 61.00 61.60 3kkk s PRO 29 Cb -0.10 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 3kkk s PRO 29 CO 0.17 -0.78 1.27 -0.51 0.04 0.00 0.00 177.00 177.18 3kkk s LEU 30 N -5.12 3.98 0.94 -3.56 1.43 -1.26 -1.52 118.68 113.57 3kkk s LEU 30 Ca 0.55 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 56.08 3kkk s LEU 30 Cb -0.11 -4.20 0.16 0.00 0.03 0.00 0.00 46.19 42.07 3kkk s LEU 30 CO 0.48 -1.17 1.10 -0.94 0.23 0.00 0.00 176.35 176.05 3kkk s SER 31 N -1.09 3.13 0.16 2.29 1.04 0.87 -4.58 113.70 115.52 3kkk s SER 31 Ca 0.66 1.22 -0.16 0.00 0.48 0.00 0.00 55.95 58.15 3kkk s SER 31 Cb -0.35 -1.88 0.09 0.00 0.10 0.00 0.00 66.02 63.98 3kkk s SER 31 CO 0.42 -2.82 1.74 -0.33 0.98 0.00 0.00 173.24 173.23 3kkk h GLU 32 N -1.68 0.22 -0.81 4.02 5.08 -1.96 0.12 114.58 119.58 3kkk h GLU 32 Ca -0.52 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 57.98 3kkk h GLU 32 Cb 1.31 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 3kkk h GLU 32 CO 0.58 0.15 0.37 -0.22 -1.00 0.00 0.00 179.01 178.88 3kkk h LYS 33 N 0.23 0.50 -0.67 2.33 3.64 -1.92 -0.48 116.57 120.20 3kkk h LYS 33 Ca 0.18 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3kkk h LYS 33 Cb 0.19 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3kkk h LYS 33 CO -0.22 0.33 0.44 0.78 -2.27 0.00 0.00 179.45 178.52 3kkk h GLY 34 N 0.52 0.93 1.23 5.01 0.00 -0.95 -0.50 103.07 109.30 3kkk h GLY 34 Ca 0.45 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.30 3kkk h GLY 34 CO -0.40 0.33 -0.27 0.83 0.00 0.00 0.00 176.54 177.04 3kkk h GLU 35 N 0.89 0.88 -0.13 4.80 5.08 0.36 -3.08 114.58 123.37 3kkk h GLU 35 Ca 0.25 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3kkk h GLU 35 Cb -0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3kkk h GLU 35 CO -0.06 1.03 -0.30 0.93 -1.00 0.00 0.00 179.01 179.62 3kkk h GLU 36 N 0.75 0.25 -0.36 2.33 4.39 -0.12 -2.51 114.58 119.30 3kkk h GLU 36 Ca 0.09 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3kkk h GLU 36 Cb 0.82 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3kkk h GLU 36 CO 0.07 0.53 0.10 0.93 -1.16 0.00 0.00 179.01 179.48 3kkk h GLU 37 N 0.22 0.57 -0.60 2.33 5.08 -1.07 -1.05 114.58 120.06 3kkk h GLU 37 Ca 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3kkk h GLU 37 Cb 0.64 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3kkk h GLU 37 CO 0.05 0.60 0.28 0.00 -1.00 0.00 0.00 179.01 178.94 3kkk h ALA 38 N 0.94 0.77 -0.46 3.43 0.00 -1.45 -0.53 119.26 121.95 3kkk h ALA 38 Ca 0.11 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kkk h ALA 38 Cb 0.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3kkk h ALA 38 CO -0.00 0.33 0.25 0.82 0.00 0.00 0.00 179.25 180.65 3kkk h ILE 39 N 0.81 1.00 -0.84 0.00 2.04 -1.25 -0.90 117.51 118.37 3kkk h ILE 39 Ca 0.20 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3kkk h ILE 39 Cb 0.12 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3kkk h ILE 39 CO -0.03 0.09 0.42 0.00 0.00 0.00 0.00 178.15 178.63 3kkk h ALA 40 N 1.23 1.14 -0.88 1.87 0.00 -1.01 -1.86 119.26 119.74 3kkk h ALA 40 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kkk h ALA 40 Cb 0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3kkk h ALA 40 CO -0.12 0.66 0.58 0.00 0.00 0.00 0.00 179.25 180.37 3kkk h ALA 41 N 1.25 1.14 -0.66 0.00 0.00 -0.50 -1.42 119.26 119.06 3kkk h ALA 41 Ca 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3kkk h ALA 41 Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kkk h ALA 41 CO -0.04 0.49 0.29 0.78 0.00 0.00 0.00 179.25 180.76 3kkk h GLY 42 N 1.16 1.04 0.97 0.00 0.00 -0.83 -2.47 103.07 102.96 3kkk h GLY 42 Ca 0.33 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3kkk h GLY 42 CO -0.09 0.52 0.06 0.50 0.00 0.00 0.00 176.54 177.53 3kkk h LYS 43 N 0.92 0.13 -0.40 4.80 1.57 -0.75 0.52 116.57 123.37 3kkk h LYS 43 Ca 0.22 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 3kkk h LYS 43 Cb 0.17 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3kkk h LYS 43 CO -0.02 0.09 -0.01 1.88 -0.57 0.00 0.00 179.45 180.81 3kkk h TYR 44 N 0.14 -0.05 -0.59 -1.35 0.05 -1.17 0.11 116.97 114.12 3kkk h TYR 44 Ca 0.04 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3kkk h TYR 44 Cb -0.00 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3kkk h TYR 44 CO -0.08 -0.09 0.11 -0.07 -1.05 0.00 0.00 178.16 176.98 3kkk h LEU 45 N 0.09 0.91 -0.52 3.88 3.38 -1.23 -2.77 115.31 119.05 3kkk h LEU 45 Ca 0.20 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kkk h LEU 45 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3kkk h LEU 45 CO -0.34 0.93 0.28 0.50 0.09 0.00 0.00 178.44 179.90 3kkk h LYS 46 N 0.86 0.52 -0.70 1.13 3.64 -0.38 -0.44 116.57 121.20 3kkk h LYS 46 Ca 0.18 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3kkk h LYS 46 Cb 0.39 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3kkk h LYS 46 CO 0.01 0.35 0.46 0.93 -2.27 0.00 0.00 179.45 178.93 3kkk h GLU 47 N 0.54 0.82 -0.57 1.90 5.08 -0.72 0.27 114.58 121.91 3kkk h GLU 47 Ca 0.23 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3kkk h GLU 47 Cb 0.11 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kkk h GLU 47 CO -0.15 0.54 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 3kkk n LYS 48 N -4.46 2.42 -3.82 2.33 4.76 -1.09 -4.95 118.16 113.35 3kkk n LYS 48 Ca 0.09 -2.02 -0.27 0.00 -2.87 0.00 0.00 58.31 53.23 3kkk n LYS 48 Cb 0.13 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.87 3kkk n LYS 48 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kkk n ASN 49 N 1.07 -3.93 -4.69 4.39 5.15 0.08 -4.95 115.26 112.38 3kkk n ASN 49 Ca 0.19 -0.76 -0.42 0.00 -0.60 0.00 0.00 54.58 52.98 3kkk n ASN 49 Cb 0.51 -4.07 -0.03 0.00 -0.53 0.00 0.00 39.78 35.66 3kkk n ASN 49 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3kkk s PHE 50 N -3.41 3.12 0.21 1.20 0.08 -0.24 -5.02 117.98 113.92 3kkk s PHE 50 Ca 0.47 1.09 0.08 0.00 0.12 0.00 0.00 56.93 58.69 3kkk s PHE 50 Cb -0.23 -3.50 -0.04 0.00 -0.57 0.00 0.00 43.02 38.68 3kkk s PHE 50 CO 0.81 -1.70 0.03 0.15 -0.10 0.00 0.00 175.22 174.42 3kkk s LYS 51 N 2.08 2.45 0.01 0.44 -0.14 -1.26 -4.70 119.74 118.61 3kkk s LYS 51 Ca 0.59 -1.19 0.03 0.00 -1.36 0.00 0.00 55.97 54.04 3kkk s LYS 51 Cb -0.28 -2.33 -0.01 0.00 -1.68 0.00 0.00 37.83 33.53 3kkk s LYS 51 CO 0.25 0.42 -0.10 -0.06 -0.76 0.00 0.00 175.35 175.10 3kkk s PHE 52 N -1.96 0.88 -0.11 3.18 0.08 -1.26 -4.82 117.98 113.97 3kkk s PHE 52 Ca 0.29 -0.22 0.20 0.00 0.12 0.00 0.00 56.93 57.33 3kkk s PHE 52 Cb -0.08 -0.55 -0.24 0.00 -0.57 0.00 0.00 43.02 41.58 3kkk s PHE 52 CO 0.20 -0.01 0.53 -0.25 -0.10 0.00 0.00 175.22 175.58 3kkk n ASP 53 N 2.56 0.27 -3.70 1.36 8.00 0.69 -4.89 116.55 120.84 3kkk n ASP 53 Ca -0.15 0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.33 3kkk n ASP 53 Cb 0.56 1.24 -0.09 0.00 -0.02 0.00 0.00 41.12 42.81 3kkk n ASP 53 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kkk s VAL 54 N -3.17 0.00 -0.16 2.53 0.11 -1.11 -4.28 120.40 114.33 3kkk s VAL 54 Ca -0.07 -0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 3kkk s VAL 54 Cb 0.11 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 3kkk s VAL 54 CO 0.86 -0.01 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.80 3kkk s VAL 55 N 0.13 2.90 -0.13 2.04 1.01 -0.62 -2.14 120.40 123.59 3kkk s VAL 55 Ca -0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3kkk s VAL 55 Cb -0.03 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3kkk s VAL 55 CO 0.01 0.51 0.09 -0.31 0.00 0.00 0.00 175.10 175.40 3kkk s TYR 56 N 0.76 3.40 0.35 5.22 2.02 0.36 -0.75 117.35 128.70 3kkk s TYR 56 Ca -0.05 0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 56.95 3kkk s TYR 56 Cb -0.15 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 3kkk s TYR 56 CO 0.01 0.50 0.49 -2.37 -1.57 0.00 0.00 175.55 172.61 3kkk n THR 57 N 2.52 0.00 -2.11 -0.71 5.66 -0.59 -0.54 114.28 118.51 3kkk n THR 57 Ca -0.18 -1.73 -0.16 0.00 -3.05 0.00 0.00 64.05 58.92 3kkk n THR 57 Cb 0.54 1.08 0.09 0.00 -1.55 0.00 0.00 70.33 70.49 3kkk n THR 57 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3kkk n SER 58 N -1.63 0.52 -1.44 1.09 3.41 -1.25 -1.35 113.62 112.97 3kkk n SER 58 Ca 0.00 -1.54 0.08 0.00 -0.26 0.00 0.00 58.87 57.15 3kkk n SER 58 Cb 0.58 -0.49 0.31 0.00 -0.26 0.00 0.00 64.21 64.35 3kkk n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3kkk n VAL 59 N -2.63 1.68 -3.88 -3.33 0.24 -1.19 -4.11 118.33 105.12 3kkk n VAL 59 Ca 0.10 -1.02 -0.35 0.00 -2.04 0.00 0.00 64.34 61.03 3kkk n VAL 59 Cb 0.36 -0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.64 3kkk n VAL 59 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kkk s LEU 60 N -1.75 4.07 0.43 1.34 1.43 -1.26 -5.02 118.68 117.92 3kkk s LEU 60 Ca 0.44 0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.84 3kkk s LEU 60 Cb 0.29 -2.03 0.93 0.00 0.03 0.00 0.00 46.19 45.41 3kkk s LEU 60 CO 0.19 0.22 2.06 0.07 0.23 0.00 0.00 176.35 179.13 3kkk h LYS 61 N 6.36 0.41 0.00 1.70 2.10 -1.86 -1.76 116.57 123.51 3kkk h LYS 61 Ca -0.42 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.17 3kkk h LYS 61 Cb 1.17 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3kkk h LYS 61 CO 0.70 0.29 -0.12 0.07 -2.00 0.00 0.00 179.45 178.40 3kkk h ARG 62 N 0.42 0.00 0.12 0.07 0.11 -1.91 -0.10 114.38 113.09 3kkk h ARG 62 Ca 0.11 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.87 3kkk h ARG 62 Cb -0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3kkk h ARG 62 CO -0.02 0.12 -1.67 0.00 0.10 0.00 0.00 179.97 178.50 3kkk h ALA 63 N 1.88 0.27 -0.53 0.08 0.00 -1.69 -3.26 119.26 116.01 3kkk h ALA 63 Ca -0.00 -1.22 0.06 0.00 0.00 0.00 0.00 54.91 53.75 3kkk h ALA 63 Cb 0.24 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3kkk h ALA 63 CO 0.02 1.02 0.24 0.82 0.00 0.00 0.00 179.25 181.35 3kkk h ILE 64 N -0.17 0.90 0.00 0.00 2.04 -1.19 -2.07 117.51 117.03 3kkk h ILE 64 Ca -0.36 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 3kkk h ILE 64 Cb 1.87 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3kkk h ILE 64 CO 0.06 0.09 -0.34 0.00 0.00 0.00 0.00 178.15 177.95 3kkk h THR 66 N 0.00 1.23 -0.68 0.00 2.02 -1.50 -1.60 112.91 112.38 3kkk h THR 66 Ca -0.00 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.50 3kkk h THR 66 Cb 0.74 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.82 3kkk h THR 66 CO 0.04 0.19 0.34 0.00 0.37 0.00 0.00 175.52 176.47 3kkk h ALA 67 N 0.62 0.92 -0.36 6.16 0.00 -1.09 -1.61 119.26 123.90 3kkk h ALA 67 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kkk h ALA 67 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kkk h ALA 67 CO 0.00 -0.04 0.23 -1.49 0.00 0.00 0.00 179.25 177.96 3kkk h TRP 68 N 0.60 0.46 -0.25 0.00 4.06 -1.13 -1.68 115.95 118.00 3kkk h TRP 68 Ca 0.33 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 61.21 3kkk h TRP 68 Cb 0.31 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3kkk h TRP 68 CO -0.11 0.30 -0.16 -0.91 -3.56 0.00 0.00 178.44 174.00 3kkk h ASN 69 N 0.48 0.43 0.33 -3.49 2.35 -0.92 -0.01 115.58 114.76 3kkk h ASN 69 Ca 0.13 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3kkk h ASN 69 Cb -0.04 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3kkk h ASN 69 CO -0.03 0.61 -0.16 0.58 -1.65 0.00 0.00 177.43 176.79 3kkk h VAL 70 N 0.40 0.67 -0.99 2.81 2.07 -1.04 -1.62 116.25 118.55 3kkk h VAL 70 Ca 0.07 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3kkk h VAL 70 Cb 0.52 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3kkk h VAL 70 CO 0.03 0.09 0.65 -0.07 0.02 0.00 0.00 177.57 178.29 3kkk h LEU 71 N -0.73 1.08 -0.60 2.57 3.38 -1.18 -0.59 115.31 119.24 3kkk h LEU 71 Ca -0.05 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3kkk h LEU 71 Cb 0.50 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kkk h LEU 71 CO 0.07 0.75 -0.01 0.50 0.09 0.00 0.00 178.44 179.84 3kkk h LYS 72 N 1.26 1.07 -0.02 1.13 3.64 -0.99 0.10 116.57 122.75 3kkk h LYS 72 Ca 0.39 -0.34 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 3kkk h LYS 72 Cb -0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3kkk h LYS 72 CO -0.12 1.05 -0.75 1.15 -2.27 0.00 0.00 179.45 178.52 3kkk h THR 73 N 0.97 1.47 -0.01 1.00 2.02 -0.77 -3.08 112.91 114.50 3kkk h THR 73 Ca 0.17 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.98 3kkk h THR 73 Cb 0.57 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 3kkk h THR 73 CO 0.03 0.69 -0.05 0.00 0.37 0.00 0.00 175.52 176.57 3kkk n ALA 74 N -2.45 2.68 -3.33 6.16 0.00 -0.28 -4.83 120.51 118.47 3kkk n ALA 74 Ca -0.02 -0.39 -0.17 0.00 0.00 0.00 0.00 53.44 52.86 3kkk n ALA 74 Cb 0.72 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 19.01 3kkk n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kkk n ASP 75 N -0.22 -3.49 -1.32 0.00 -0.08 -0.61 -4.96 116.55 105.88 3kkk n ASP 75 Ca 0.18 -0.51 -0.02 0.00 -1.51 0.00 0.00 54.79 52.92 3kkk n ASP 75 Cb 0.31 -4.51 0.11 0.00 2.34 0.00 0.00 41.12 39.38 3kkk n ASP 75 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3kkk n LEU 76 N -4.00 2.87 0.27 -2.67 4.77 0.25 -4.88 117.00 113.62 3kkk n LEU 76 Ca -0.15 -3.71 0.16 0.00 -0.03 0.00 0.00 56.01 52.28 3kkk n LEU 76 Cb 0.61 -0.30 0.91 0.00 -2.33 0.00 0.00 43.42 42.31 3kkk n LEU 76 CO 0.55 1.39 1.14 -0.07 -1.33 0.00 0.00 177.39 179.07 3kkk h LEU 77 N 1.45 0.00 -1.53 2.23 3.38 -1.93 -1.36 115.31 117.55 3kkk h LEU 77 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kkk h LEU 77 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3kkk h LEU 77 CO 0.23 0.00 0.00 1.12 0.09 0.00 0.00 178.44 179.88 3kkk h HIS 78 N 0.00 0.00 -3.20 1.13 2.07 -1.94 -3.45 115.15 109.76 3kkk h HIS 78 Ca 0.03 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.02 3kkk h HIS 78 Cb 0.18 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.19 3kkk h HIS 78 CO 0.00 0.00 0.68 0.08 -3.07 0.00 0.00 177.93 175.62 3kkk s VAL 79 N -3.63 3.30 0.36 6.12 1.01 -0.52 -4.97 120.40 122.06 3kkk s VAL 79 Ca 0.00 0.99 -0.27 0.00 0.00 0.00 0.00 61.98 62.70 3kkk s VAL 79 Cb 0.09 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 3kkk s VAL 79 CO 0.40 0.11 1.25 -2.16 0.00 0.00 0.00 175.10 174.71 3kkk s PRO 80 N 0.50 4.23 -0.19 2.72 0.04 -1.26 -4.87 135.00 136.16 3kkk s PRO 80 Ca 0.60 2.07 -0.02 0.00 0.04 0.00 0.00 61.00 63.70 3kkk s PRO 80 Cb -0.36 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3kkk s PRO 80 CO 0.34 -0.24 -0.11 0.08 0.04 0.00 0.00 177.00 177.11 3kkk s VAL 81 N -1.23 2.87 -0.25 -0.36 1.01 -1.26 -1.59 120.40 119.60 3kkk s VAL 81 Ca 0.52 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 3kkk s VAL 81 Cb -0.36 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 3kkk s VAL 81 CO 0.47 0.48 0.01 -0.69 0.00 0.00 0.00 175.10 175.37 3kkk s VAL 82 N 1.25 3.63 -0.18 2.92 1.01 0.07 -5.00 120.40 124.10 3kkk s VAL 82 Ca 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 3kkk s VAL 82 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3kkk s VAL 82 CO -0.05 0.28 0.08 -0.54 0.00 0.00 0.00 175.10 174.87 3kkk s LYS 83 N 1.49 3.99 0.01 2.72 1.02 -1.26 -1.55 119.74 126.16 3kkk s LYS 83 Ca 0.04 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.72 3kkk s LYS 83 Cb -0.15 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3kkk s LYS 83 CO -0.01 0.30 -0.01 -0.08 -0.92 0.00 0.00 175.35 174.64 3kkk s THR 84 N 0.30 0.04 0.53 2.17 -1.32 -0.46 -4.84 115.64 112.06 3kkk s THR 84 Ca 0.05 -0.26 0.19 0.00 -1.21 0.00 0.00 61.69 60.45 3kkk s THR 84 Cb -0.12 -0.09 0.28 0.00 -1.51 0.00 0.00 72.50 71.06 3kkk s THR 84 CO -0.00 -0.14 2.16 4.11 -2.21 0.00 0.00 174.62 178.54 3kkk h TRP 85 N 5.73 0.00 0.00 9.09 5.08 -1.91 -2.81 115.95 131.14 3kkk h TRP 85 Ca -0.26 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.70 3kkk h TRP 85 Cb 1.21 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3kkk h TRP 85 CO 0.48 0.01 -0.03 0.00 -1.28 0.00 0.00 178.44 177.62 3kkk h ARG 86 N 0.00 0.00 -0.28 0.12 3.08 -1.94 -1.12 114.38 114.25 3kkk h ARG 86 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kkk h ARG 86 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3kkk h ARG 86 CO 0.00 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 3kkk n LEU 87 N -3.40 2.34 -4.70 3.04 4.77 -1.07 -3.98 117.00 114.00 3kkk n LEU 87 Ca -0.02 -1.02 -0.34 0.00 -0.03 0.00 0.00 56.01 54.60 3kkk n LEU 87 Cb 0.15 -0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.18 3kkk n LEU 87 CO 0.25 0.51 0.79 0.20 -1.33 0.00 0.00 177.39 177.82 3kkk s ASN 88 N -1.46 3.75 0.72 -1.43 -0.87 -0.43 -4.43 114.94 110.81 3kkk s ASN 88 Ca 0.34 2.41 -0.16 0.00 -1.57 0.00 0.00 52.86 53.88 3kkk s ASN 88 Cb 0.19 -2.59 -0.01 0.00 -0.02 0.00 0.00 41.25 38.81 3kkk s ASN 88 CO 0.27 -2.56 0.80 1.21 -2.57 0.00 0.00 177.10 174.25 3kkk n GLU 89 N -3.08 0.42 -1.69 -0.60 4.07 -1.26 -4.50 120.64 114.01 3kkk n GLU 89 Ca 0.14 0.19 -0.44 0.00 -0.06 0.00 0.00 57.16 56.99 3kkk n GLU 89 Cb 0.50 -2.07 -0.03 0.00 -0.06 0.00 0.00 31.44 29.78 3kkk n GLU 89 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3kkk n ARG 90 N -1.44 2.29 -2.43 5.31 0.63 -1.26 -4.63 116.66 115.13 3kkk n ARG 90 Ca 0.12 0.82 -0.42 0.00 -0.92 0.00 0.00 57.85 57.45 3kkk n ARG 90 Cb 0.50 -2.57 -0.03 0.00 0.45 0.00 0.00 32.46 30.81 3kkk n ARG 90 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3kkk s HIS 91 N 0.51 3.45 -1.38 -0.14 5.65 -1.26 -4.36 115.29 117.76 3kkk s HIS 91 Ca 0.73 1.35 0.15 0.00 0.25 0.00 0.00 55.06 57.54 3kkk s HIS 91 Cb -0.62 -3.41 0.57 0.00 -1.18 0.00 0.00 32.58 27.94 3kkk s HIS 91 CO 0.42 -1.20 1.45 0.00 -0.65 0.00 0.00 174.74 174.76 3kkk n GLY 93 N 1.06 2.61 0.00 0.00 0.00 -1.26 -2.38 105.19 105.22 3kkk n GLY 93 Ca 0.20 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3kkk n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kkk n SER 94 N 2.25 0.00 0.23 1.61 3.41 -0.38 -2.78 113.62 117.97 3kkk n SER 94 Ca 0.00 -0.33 0.14 0.00 -0.26 0.00 0.00 58.87 58.43 3kkk n SER 94 Cb 0.00 -0.20 0.40 0.00 -0.26 0.00 0.00 64.21 64.15 3kkk n SER 94 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kkk h LEU 95 N 0.00 0.00 -9.46 1.04 3.38 -1.72 -3.46 115.31 105.10 3kkk h LEU 95 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3kkk h LEU 95 Cb 0.18 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.98 3kkk h LEU 95 CO 0.00 0.00 0.94 0.00 0.09 0.00 0.00 178.44 179.47 3kkk n GLN 96 N -3.01 2.31 0.00 1.13 6.02 -1.12 -1.57 117.38 121.14 3kkk n GLN 96 Ca 0.03 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 3kkk n GLN 96 Cb 0.42 -2.65 0.00 0.00 1.02 0.00 0.00 30.24 29.03 3kkk n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kkk n GLY 97 N 3.84 2.20 3.88 1.08 0.00 -0.60 -5.00 105.19 110.58 3kkk n GLY 97 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3kkk n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kkk s LEU 98 N 0.00 3.90 0.46 0.99 1.43 -0.61 -4.84 118.68 120.01 3kkk s LEU 98 Ca 0.00 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 53.97 3kkk s LEU 98 Cb 0.00 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 3kkk s LEU 98 CO 0.00 -0.33 1.07 0.21 0.23 0.00 0.00 176.35 177.52 3kkk s ASN 99 N -3.02 6.40 0.50 2.29 2.47 -1.26 -2.29 114.94 120.04 3kkk s ASN 99 Ca 0.50 2.03 0.33 0.00 0.42 0.00 0.00 52.86 56.14 3kkk s ASN 99 Cb -0.10 -2.58 1.42 0.00 -1.45 0.00 0.00 41.25 38.54 3kkk s ASN 99 CO 0.29 -0.74 1.97 0.11 -3.72 0.00 0.00 177.10 175.01 3kkk h LYS 100 N 1.90 0.00 0.12 0.43 1.57 -1.88 -2.31 116.57 116.40 3kkk h LYS 100 Ca -0.49 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 57.97 3kkk h LYS 100 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3kkk h LYS 100 CO 0.60 0.00 -1.67 0.66 -0.57 0.00 0.00 179.45 178.47 3kkk h SER 101 N 0.00 0.40 -0.98 0.86 4.64 -1.93 -3.25 113.55 113.30 3kkk h SER 101 Ca 0.00 -0.64 0.02 0.00 -0.47 0.00 0.00 61.79 60.70 3kkk h SER 101 Cb 0.41 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 3kkk h SER 101 CO 0.00 1.54 0.64 -0.33 -0.87 0.00 0.00 176.83 177.82 3kkk h GLU 102 N 0.07 1.25 -0.51 4.77 5.08 -1.86 -1.95 114.58 121.43 3kkk h GLU 102 Ca -0.30 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 3kkk h GLU 102 Cb 2.04 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.99 3kkk h GLU 102 CO 0.15 0.83 -0.12 1.79 -1.00 0.00 0.00 179.01 180.66 3kkk h THR 103 N 1.29 1.27 -1.01 1.13 1.35 -1.58 -1.49 112.91 113.88 3kkk h THR 103 Ca 0.37 -1.26 0.08 0.00 -0.55 0.00 0.00 66.41 65.05 3kkk h THR 103 Cb -0.10 1.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.25 3kkk h THR 103 CO -0.09 0.44 0.65 0.00 -0.25 0.00 0.00 175.52 176.26 3kkk h ALA 104 N 1.00 1.43 0.38 6.62 0.00 -1.50 -0.66 119.26 126.53 3kkk h ALA 104 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kkk h ALA 104 Cb 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kkk h ALA 104 CO 0.05 0.40 -0.18 -0.22 0.00 0.00 0.00 179.25 179.30 3kkk h LYS 105 N 1.14 -0.49 0.00 0.00 3.64 -0.94 0.12 116.57 120.05 3kkk h LYS 105 Ca 0.45 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3kkk h LYS 105 Cb 0.24 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3kkk h LYS 105 CO -0.19 -0.17 -0.00 1.63 -2.27 0.00 0.00 179.45 178.44 3kkk n LYS 106 N -5.17 0.15 0.00 1.90 4.76 -0.60 -4.11 118.16 115.09 3kkk n LYS 106 Ca -0.10 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3kkk n LYS 106 Cb 0.28 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 3kkk n LYS 106 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3kkk n TYR 107 N -1.93 0.00 0.00 2.13 4.01 -0.26 -5.08 117.16 116.03 3kkk n TYR 107 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3kkk n TYR 107 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 3kkk n TYR 107 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kkk n GLY 108 N 1.29 1.21 0.21 2.72 0.00 0.42 -4.59 105.19 106.45 3kkk n GLY 108 Ca 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 3kkk n GLY 108 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kkk h GLU 109 N 0.00 0.67 -0.05 1.61 4.81 -1.87 -3.02 114.58 116.74 3kkk h GLU 109 Ca 0.00 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 3kkk h GLU 109 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3kkk h GLU 109 CO 0.00 0.89 -0.41 0.93 -0.73 0.00 0.00 179.01 179.69 3kkk h GLU 110 N 0.44 0.10 -0.17 1.92 4.39 -1.94 -2.66 114.58 116.65 3kkk h GLU 110 Ca 0.07 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 3kkk h GLU 110 Cb 0.69 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3kkk h GLU 110 CO 0.05 0.50 -0.32 0.37 -1.16 0.00 0.00 179.01 178.44 3kkk h GLN 111 N 0.08 0.35 -0.20 2.33 5.75 -1.79 -2.79 115.11 118.84 3kkk h GLN 111 Ca 0.01 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 3kkk h GLN 111 Cb 0.77 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 3kkk h GLN 111 CO 0.06 0.63 -0.13 0.28 -2.65 0.00 0.00 178.83 177.02 3kkk h VAL 112 N 0.30 1.32 -0.86 2.39 2.07 -1.36 -2.89 116.25 117.22 3kkk h VAL 112 Ca 0.04 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.37 3kkk h VAL 112 Cb 0.72 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 3kkk h VAL 112 CO 0.05 0.37 0.57 0.11 0.02 0.00 0.00 177.57 178.69 3kkk h LYS 113 N 0.12 1.00 -0.44 1.57 1.57 -1.40 -1.49 116.57 117.50 3kkk h LYS 113 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kkk h LYS 113 Cb 0.64 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3kkk h LYS 113 CO 0.04 0.66 0.28 0.82 -0.57 0.00 0.00 179.45 180.68 3kkk h ILE 114 N 1.03 1.12 0.00 1.86 2.04 -1.48 -0.14 117.51 121.95 3kkk h ILE 114 Ca 0.35 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3kkk h ILE 114 Cb 0.09 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3kkk h ILE 114 CO -0.11 0.12 -0.08 -0.50 0.00 0.00 0.00 178.15 177.58 3kkk h TRP 115 N 0.59 0.00 0.07 1.37 6.55 -1.07 -1.12 115.95 122.34 3kkk h TRP 115 Ca 0.16 0.00 -0.34 0.00 0.95 0.00 0.00 58.89 59.66 3kkk h TRP 115 Cb -0.04 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.23 3kkk h TRP 115 CO -0.04 0.08 -1.91 0.54 -1.05 0.00 0.00 178.44 176.06 3kkk n ARG 116 N -3.91 0.69 0.04 0.49 1.74 -0.87 -4.60 116.66 110.24 3kkk n ARG 116 Ca -0.02 0.33 0.08 0.00 -0.77 0.00 0.00 57.85 57.47 3kkk n ARG 116 Cb 0.17 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 3kkk n ARG 116 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kkk n ARG 117 N -3.75 0.63 -1.35 5.56 5.12 -0.09 -4.97 116.66 117.81 3kkk n ARG 117 Ca -0.35 0.02 -0.29 0.00 -1.93 0.00 0.00 57.85 55.29 3kkk n ARG 117 Cb 0.94 -1.70 0.13 0.00 -1.16 0.00 0.00 32.46 30.67 3kkk n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kkk s SER 118 N -5.13 3.57 -0.19 0.55 1.04 -0.43 -4.94 113.70 108.17 3kkk s SER 118 Ca -0.04 1.29 0.02 0.00 0.48 0.00 0.00 55.95 57.70 3kkk s SER 118 Cb 0.11 -1.96 -0.21 0.00 0.10 0.00 0.00 66.02 64.06 3kkk s SER 118 CO 0.84 -2.55 0.05 0.00 0.98 0.00 0.00 173.24 172.56 3kkk n TYR 119 N -3.81 0.46 -0.72 5.02 9.36 -1.26 -4.54 117.16 121.67 3kkk n TYR 119 Ca 0.07 0.11 0.01 0.00 3.32 0.00 0.00 57.90 61.41 3kkk n TYR 119 Cb 0.57 -1.06 0.02 0.00 -0.63 0.00 0.00 39.34 38.23 3kkk n TYR 119 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3kkk n ASP 120 N -3.25 1.11 -4.20 2.98 5.68 -1.26 -1.14 116.55 116.47 3kkk n ASP 120 Ca -0.38 -1.79 -0.39 0.00 -0.50 0.00 0.00 54.79 51.73 3kkk n ASP 120 Cb 1.03 -0.08 -0.10 0.00 -1.14 0.00 0.00 41.12 40.83 3kkk n ASP 120 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3kkk s ILE 121 N -0.78 3.90 0.65 2.12 1.01 -1.26 -4.94 121.20 121.90 3kkk s ILE 121 Ca 0.04 -1.77 -0.11 0.00 0.00 0.00 0.00 60.65 58.81 3kkk s ILE 121 Cb 0.04 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3kkk s ILE 121 CO 0.00 -0.67 1.05 -2.16 0.00 0.00 0.00 174.94 173.17 3kkk s PRO 122 N 1.31 3.32 1.04 2.79 0.04 -1.26 -4.53 135.00 137.70 3kkk s PRO 122 Ca 0.05 0.63 -0.16 0.00 0.04 0.00 0.00 61.00 61.57 3kkk s PRO 122 Cb -0.24 -2.06 0.21 0.00 0.04 0.00 0.00 34.50 32.45 3kkk s PRO 122 CO -0.01 -0.74 1.19 -1.25 0.04 0.00 0.00 177.00 176.23 3kkk s PRO 123 N -5.24 0.09 0.37 0.56 0.04 -1.26 -4.95 135.00 124.60 3kkk s PRO 123 Ca 0.56 -0.09 -0.28 0.00 0.04 0.00 0.00 61.00 61.23 3kkk s PRO 123 Cb -0.11 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 3kkk s PRO 123 CO 0.53 -2.83 1.37 -2.14 0.04 0.00 0.00 177.00 173.97 3kkk s PRO 124 N -5.54 4.16 0.51 0.56 0.02 -1.26 -4.79 135.00 128.65 3kkk s PRO 124 Ca 0.70 2.34 -0.22 0.00 0.02 0.00 0.00 61.00 63.84 3kkk s PRO 124 Cb -0.09 -2.95 -0.06 0.00 0.02 0.00 0.00 34.50 31.42 3kkk s PRO 124 CO 0.54 -0.40 1.25 0.15 -0.33 0.00 0.00 177.00 178.21 3kkk s LYS 125 N -2.02 3.39 0.63 5.54 1.02 -1.26 -1.25 119.74 125.79 3kkk s LYS 125 Ca 0.52 1.97 -0.12 0.00 0.02 0.00 0.00 55.97 58.36 3kkk s LYS 125 Cb -0.42 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 3kkk s LYS 125 CO 0.56 -0.91 1.04 -0.51 -0.92 0.00 0.00 175.35 174.61 3kkk s LEU 126 N -3.39 3.26 0.37 3.17 1.43 -0.77 -4.46 118.68 118.29 3kkk s LEU 126 Ca 0.69 1.54 0.08 0.00 -1.03 0.00 0.00 54.13 55.41 3kkk s LEU 126 Cb -0.34 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.37 3kkk s LEU 126 CO 0.40 -1.07 0.33 1.51 0.23 0.00 0.00 176.35 177.75 3kkk s ASP 127 N -3.79 5.21 0.54 2.29 3.84 -1.26 -4.84 116.67 118.67 3kkk s ASP 127 Ca 0.57 -0.58 0.23 0.00 -0.00 0.00 0.00 52.55 52.77 3kkk s ASP 127 Cb -0.12 -0.82 1.43 0.00 -1.38 0.00 0.00 42.92 42.03 3kkk s ASP 127 CO 0.50 -0.47 2.10 0.50 -0.00 0.00 0.00 175.17 177.80 3kkk h LYS 128 N 1.15 0.00 0.00 2.11 3.64 -2.01 -1.42 116.57 120.04 3kkk h LYS 128 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3kkk h LYS 128 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3kkk h LYS 128 CO 0.58 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.69 3kkk h GLU 129 N 0.00 0.00 -6.75 1.90 3.07 -2.02 -3.46 114.58 107.33 3kkk h GLU 129 Ca 0.10 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.44 3kkk h GLU 129 Cb 0.42 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.35 3kkk h GLU 129 CO -0.00 0.00 0.54 0.34 -1.40 0.00 0.00 179.01 178.49 3kkk s ASP 130 N -4.98 7.11 0.55 1.42 -1.08 -0.54 -4.93 116.67 114.22 3kkk s ASP 130 Ca 0.06 2.31 0.29 0.00 -0.52 0.00 0.00 52.55 54.69 3kkk s ASP 130 Cb 0.09 -2.62 1.59 0.00 -1.46 0.00 0.00 42.92 40.52 3kkk s ASP 130 CO 0.54 -0.31 2.13 0.78 0.52 0.00 0.00 175.17 178.83 3kkk h ASN 131 N 4.46 0.00 1.00 -0.34 4.21 -1.88 -2.70 115.58 120.33 3kkk h ASN 131 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 3kkk h ASN 131 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 3kkk h ASN 131 CO 0.71 0.08 -0.14 0.54 -1.29 0.00 0.00 177.43 177.33 3kkk n ARG 132 N -3.66 0.07 -1.69 0.81 1.74 -1.26 -4.86 116.66 107.81 3kkk n ARG 132 Ca -0.02 0.05 -0.44 0.00 -0.77 0.00 0.00 57.85 56.67 3kkk n ARG 132 Cb 0.19 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 3kkk n ARG 132 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 3kkk n TRP 133 N -1.70 2.53 0.16 -1.55 -0.00 -1.02 -4.86 117.44 111.00 3kkk n TRP 133 Ca 0.06 0.13 0.17 0.00 -0.00 0.00 0.00 57.50 57.86 3kkk n TRP 133 Cb 0.36 -2.62 0.77 0.00 -0.00 0.00 0.00 31.31 29.83 3kkk n TRP 133 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3kkk h PRO 134 N 6.51 0.00 -0.05 5.87 0.11 -1.89 -2.52 132.00 140.03 3kkk h PRO 134 Ca -0.44 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 3kkk h PRO 134 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kkk h PRO 134 CO 0.93 0.00 0.08 0.78 -0.21 0.00 0.00 178.00 179.57 3kkk h GLY 135 N 0.00 0.00 1.46 -0.55 0.00 -1.89 -0.97 103.07 101.12 3kkk h GLY 135 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3kkk h GLY 135 CO -0.00 0.00 -0.33 1.42 0.00 0.00 0.00 176.54 177.62 3kkk n HIS 136 N -3.60 0.34 -3.16 5.60 8.25 -0.95 -4.86 115.22 116.84 3kkk n HIS 136 Ca -0.02 0.10 -0.40 0.00 -0.26 0.00 0.00 57.72 57.14 3kkk n HIS 136 Cb 0.17 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.66 3kkk n HIS 136 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3kkk s ASN 137 N -3.65 6.60 0.60 0.41 3.84 -0.37 -4.96 114.94 117.42 3kkk s ASN 137 Ca 0.10 0.73 0.36 0.00 0.21 0.00 0.00 52.86 54.26 3kkk s ASN 137 Cb 0.16 -2.33 1.93 0.00 -0.55 0.00 0.00 41.25 40.47 3kkk s ASN 137 CO 0.65 -0.28 2.23 -0.37 -2.79 0.00 0.00 177.10 176.54 3kkk h VAL 138 N 5.26 0.25 -0.99 -5.21 -1.51 -1.89 -1.90 116.25 110.25 3kkk h VAL 138 Ca -0.30 -0.20 0.24 0.00 -1.23 0.00 0.00 66.70 65.21 3kkk h VAL 138 Cb 1.14 1.15 -0.12 0.00 -2.13 0.00 0.00 31.29 31.33 3kkk h VAL 138 CO 0.76 0.03 0.57 0.58 -1.23 0.00 0.00 177.57 178.28 3kkk h VAL 139 N 0.00 0.54 -0.78 7.19 2.07 -1.92 -1.78 116.25 121.56 3kkk h VAL 139 Ca -0.00 -0.20 -0.27 0.00 0.82 0.00 0.00 66.70 67.05 3kkk h VAL 139 Cb 0.15 -0.08 -0.16 0.00 -1.52 0.00 0.00 31.29 29.68 3kkk h VAL 139 CO 0.00 0.10 0.34 -1.22 0.02 0.00 0.00 177.57 176.81 3kkk n TYR 140 N -4.90 2.56 0.23 1.57 4.01 -0.71 -4.63 117.16 115.28 3kkk n TYR 140 Ca 0.26 -1.33 0.08 0.00 -0.16 0.00 0.00 57.90 56.76 3kkk n TYR 140 Cb 0.72 -0.74 0.53 0.00 -0.31 0.00 0.00 39.34 39.55 3kkk n TYR 140 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3kkk h LYS 141 N 2.36 0.00 0.00 -0.72 2.10 -1.44 -1.84 116.57 117.04 3kkk h LYS 141 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3kkk h LYS 141 Cb 2.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.76 3kkk h LYS 141 CO 0.80 0.23 -0.48 0.09 -2.00 0.00 0.00 179.45 178.10 3kkk n ASN 142 N -3.76 0.50 -4.70 7.07 3.02 -1.26 -4.83 115.26 111.31 3kkk n ASN 142 Ca -0.01 -0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.08 3kkk n ASN 142 Cb 0.34 0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.60 3kkk n ASN 142 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kkk s VAL 143 N -3.05 4.98 0.24 2.41 1.01 -0.69 -5.02 120.40 120.28 3kkk s VAL 143 Ca 0.10 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 3kkk s VAL 143 Cb 0.16 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 3kkk s VAL 143 CO 0.69 0.17 1.53 -2.65 0.00 0.00 0.00 175.10 174.84 3kkk n PRO 144 N 4.28 2.36 0.17 2.72 -0.02 -1.26 -4.86 135.00 138.39 3kkk n PRO 144 Ca 0.01 0.84 0.05 0.00 -2.02 0.00 0.00 63.50 62.38 3kkk n PRO 144 Cb 0.50 -2.58 0.49 0.00 -0.02 0.00 0.00 33.50 31.89 3kkk n PRO 144 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kkk h LYS 145 N 4.95 0.14 0.00 -0.52 1.79 -1.95 -1.49 116.57 119.49 3kkk h LYS 145 Ca -0.45 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3kkk h LYS 145 Cb 1.25 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3kkk h LYS 145 CO 0.81 0.23 0.00 -0.40 -1.08 0.00 0.00 179.45 179.01 3kkk n ASP 146 N -4.37 0.00 0.04 0.86 5.75 -1.26 -2.26 116.55 115.30 3kkk n ASP 146 Ca -0.01 0.33 0.13 0.00 -0.01 0.00 0.00 54.79 55.23 3kkk n ASP 146 Cb 0.20 -0.43 0.46 0.00 -1.03 0.00 0.00 41.12 40.31 3kkk n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kkk n ALA 147 N -1.43 2.57 -2.50 2.12 0.00 -0.56 -4.90 120.51 115.80 3kkk n ALA 147 Ca 0.07 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 3kkk n ALA 147 Cb 0.24 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 3kkk n ALA 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kkk s LEU 148 N -3.56 4.43 0.27 0.00 1.43 -0.96 -5.07 118.68 115.22 3kkk s LEU 148 Ca 0.12 0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 53.97 3kkk s LEU 148 Cb 0.16 -2.77 -0.09 0.00 0.03 0.00 0.00 46.19 43.53 3kkk s LEU 148 CO 0.60 0.26 0.73 -2.16 0.23 0.00 0.00 176.35 176.01 3kkk s PRO 149 N -1.40 4.14 0.20 1.29 0.04 -1.26 -4.96 135.00 133.05 3kkk s PRO 149 Ca 0.28 0.79 0.20 0.00 0.04 0.00 0.00 61.00 62.30 3kkk s PRO 149 Cb -0.16 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.72 3kkk s PRO 149 CO 0.15 0.28 1.10 0.74 0.04 0.00 0.00 177.00 179.32 3kkk h PHE 150 N 2.89 0.00 -2.29 0.56 0.04 -1.98 -3.41 116.94 112.75 3kkk h PHE 150 Ca -0.48 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.46 3kkk h PHE 150 Cb 1.18 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.24 3kkk h PHE 150 CO 0.63 0.24 0.50 -0.08 -0.60 0.00 0.00 178.31 179.00 3kkk s THR 151 N -3.16 0.00 -0.13 -1.55 -1.32 -1.26 -1.85 115.64 106.38 3kkk s THR 151 Ca 0.00 -0.50 -0.11 0.00 -1.21 0.00 0.00 61.69 59.87 3kkk s THR 151 Cb 0.08 -1.77 0.03 0.00 -1.51 0.00 0.00 72.50 69.33 3kkk s THR 151 CO 0.77 0.00 0.34 -1.61 -2.21 0.00 0.00 174.62 171.91 3kkk s GLU 152 N -3.22 0.38 0.46 7.08 2.02 -1.00 -4.93 118.70 119.49 3kkk s GLU 152 Ca 0.11 0.49 0.08 0.00 0.02 0.00 0.00 54.97 55.66 3kkk s GLU 152 Cb -0.01 0.16 0.03 0.00 0.10 0.00 0.00 34.13 34.41 3kkk s GLU 152 CO -0.00 -0.06 0.63 0.00 0.02 0.00 0.00 175.26 175.84 3kkk h LEU 154 N 0.51 0.40 -0.35 0.00 5.85 -1.72 -1.49 115.31 118.51 3kkk h LEU 154 Ca -0.38 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3kkk h LEU 154 Cb 1.28 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3kkk h LEU 154 CO 0.44 0.37 0.12 0.50 -0.34 0.00 0.00 178.44 179.53 3kkk h LYS 155 N 0.44 0.26 -0.43 1.25 3.64 -1.49 -0.12 116.57 120.12 3kkk h LYS 155 Ca 0.11 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3kkk h LYS 155 Cb 0.10 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3kkk h LYS 155 CO -0.01 0.17 0.14 -0.44 -2.27 0.00 0.00 179.45 177.04 3kkk h ASP 156 N 0.26 0.13 -0.54 4.20 3.32 -1.57 -1.31 116.42 120.91 3kkk h ASP 156 Ca 0.16 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3kkk h ASP 156 Cb 0.13 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3kkk h ASP 156 CO -0.16 0.11 0.29 0.74 -1.72 0.00 0.00 179.24 178.49 3kkk h THR 157 N 0.29 1.18 -0.54 0.35 2.02 -1.07 -1.83 112.91 113.32 3kkk h THR 157 Ca 0.20 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 66.97 3kkk h THR 157 Cb 0.21 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 3kkk h THR 157 CO -0.22 0.20 0.24 0.58 0.37 0.00 0.00 175.52 176.69 3kkk h VAL 158 N 0.73 0.89 0.00 3.16 2.07 -0.69 -2.03 116.25 120.38 3kkk h VAL 158 Ca 0.19 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3kkk h VAL 158 Cb 0.06 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3kkk h VAL 158 CO -0.03 0.08 -0.03 -0.33 0.02 0.00 0.00 177.57 177.28 3kkk h GLU 159 N 0.46 0.00 0.00 1.57 5.08 -0.85 -2.24 114.58 118.60 3kkk h GLU 159 Ca 0.25 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.35 3kkk h GLU 159 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3kkk h GLU 159 CO -0.21 0.03 -1.64 2.89 -1.00 0.00 0.00 179.01 179.08 3kkk n ARG 160 N -3.12 0.63 -0.10 2.33 1.85 -0.73 -4.22 116.66 113.30 3kkk n ARG 160 Ca 0.02 0.27 -0.13 0.00 -1.00 0.00 0.00 57.85 57.01 3kkk n ARG 160 Cb 0.39 -1.79 -0.04 0.00 -1.05 0.00 0.00 32.46 29.97 3kkk n ARG 160 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3kkk h VAL 161 N 0.00 1.30 -0.39 8.89 2.07 -1.25 -3.36 116.25 123.51 3kkk h VAL 161 Ca -0.26 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 3kkk h VAL 161 Cb 1.90 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 3kkk h VAL 161 CO 0.07 0.43 0.23 -0.07 0.02 0.00 0.00 177.57 178.24 3kkk h LEU 162 N 0.39 0.46 -1.50 2.57 3.38 -1.58 -0.77 115.31 118.26 3kkk h LEU 162 Ca 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kkk h LEU 162 Cb 0.75 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3kkk h LEU 162 CO 0.05 0.37 -0.16 -0.65 0.09 0.00 0.00 178.44 178.14 3kkk h PRO 163 N 0.54 0.13 0.02 1.13 0.11 -1.77 -1.47 132.00 130.68 3kkk h PRO 163 Ca 0.14 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.00 3kkk h PRO 163 Cb -0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3kkk h PRO 163 CO -0.03 0.29 -0.97 0.35 -0.21 0.00 0.00 178.00 177.44 3kkk h PHE 164 N 0.12 0.43 -0.09 0.65 3.57 -1.35 -1.13 116.94 119.15 3kkk h PHE 164 Ca 0.02 -0.25 0.03 0.00 3.53 0.00 0.00 57.97 61.30 3kkk h PHE 164 Cb 0.36 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3kkk h PHE 164 CO 0.00 1.09 -0.08 2.35 -2.23 0.00 0.00 178.31 179.45 3kkk h TRP 165 N 0.14 -0.19 -0.10 0.41 2.91 -1.24 -1.87 115.95 116.02 3kkk h TRP 165 Ca -0.07 0.01 -0.15 0.00 1.13 0.00 0.00 58.89 59.81 3kkk h TRP 165 Cb 1.62 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 30.36 3kkk h TRP 165 CO 0.05 -0.12 -0.59 0.74 -1.03 0.00 0.00 178.44 177.48 3kkk h PHE 166 N -0.09 0.41 0.01 2.65 0.04 -1.22 0.13 116.94 118.86 3kkk h PHE 166 Ca 0.06 -0.15 -0.30 0.00 2.80 0.00 0.00 57.97 60.38 3kkk h PHE 166 Cb 0.18 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 3kkk h PHE 166 CO -0.19 0.83 -1.73 -0.25 -0.60 0.00 0.00 178.31 176.37 3kkk n ASP 167 N -3.90 0.92 0.05 2.17 8.00 -0.43 -4.49 116.55 118.87 3kkk n ASP 167 Ca -0.03 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.87 3kkk n ASP 167 Cb 0.61 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3kkk n ASP 167 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3kkk n HIS 168 N -3.06 -0.44 0.18 1.24 8.25 -0.75 -4.73 115.22 115.90 3kkk n HIS 168 Ca -0.18 0.08 -0.13 0.00 -0.26 0.00 0.00 57.72 57.23 3kkk n HIS 168 Cb 1.05 0.15 -0.08 0.00 1.12 0.00 0.00 29.99 32.23 3kkk n HIS 168 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3kkk h ILE 169 N 0.00 0.60 -0.49 1.59 2.04 -1.40 -2.74 117.51 117.11 3kkk h ILE 169 Ca 0.00 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3kkk h ILE 169 Cb 0.26 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3kkk h ILE 169 CO 0.00 0.10 0.26 0.00 0.00 0.00 0.00 178.15 178.51 3kkk h ALA 170 N -0.36 0.63 -0.66 1.87 0.00 -1.22 -1.99 119.26 117.52 3kkk h ALA 170 Ca -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kkk h ALA 170 Cb 0.53 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3kkk h ALA 170 CO 0.08 0.16 0.44 -1.35 0.00 0.00 0.00 179.25 178.58 3kkk h PRO 171 N 0.65 0.84 -0.29 0.00 0.11 -1.77 0.03 132.00 131.58 3kkk h PRO 171 Ca 0.17 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.24 3kkk h PRO 171 Cb 0.07 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3kkk h PRO 171 CO -0.03 0.56 0.16 -0.44 -0.21 0.00 0.00 178.00 178.04 3kkk h ASP 172 N 0.87 0.25 -0.46 -2.05 3.32 -1.11 -0.52 116.42 116.71 3kkk h ASP 172 Ca 0.25 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.35 3kkk h ASP 172 Cb -0.05 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 3kkk h ASP 172 CO -0.06 0.18 0.22 0.40 -1.72 0.00 0.00 179.24 178.27 3kkk h ILE 173 N 0.33 0.95 0.00 0.35 2.04 -0.64 -0.36 117.51 120.17 3kkk h ILE 173 Ca 0.11 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3kkk h ILE 173 Cb 0.01 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3kkk h ILE 173 CO -0.06 0.08 0.00 -0.07 0.00 0.00 0.00 178.15 178.10 3kkk h LEU 174 N 0.45 0.00 -1.44 1.44 3.38 -0.77 -0.83 115.31 117.53 3kkk h LEU 174 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kkk h LEU 174 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kkk h LEU 174 CO -0.15 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.38 3kkk n ALA 175 N -2.01 2.65 -2.01 1.53 0.00 -0.22 -4.90 120.51 115.54 3kkk n ALA 175 Ca -0.01 -0.63 -0.17 0.00 0.00 0.00 0.00 53.44 52.63 3kkk n ALA 175 Cb 0.19 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3kkk n ALA 175 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kkk n ASN 176 N 0.37 -5.02 -4.80 0.00 5.15 -0.32 -4.99 115.26 105.66 3kkk n ASN 176 Ca 0.11 0.15 -0.39 0.00 -0.60 0.00 0.00 54.58 53.85 3kkk n ASN 176 Cb 0.38 -4.08 -0.06 0.00 -0.53 0.00 0.00 39.78 35.50 3kkk n ASN 176 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kkk s LYS 177 N -4.32 4.23 -0.36 1.20 1.02 -0.68 -5.03 119.74 115.79 3kkk s LYS 177 Ca 0.00 0.74 -0.23 0.00 0.02 0.00 0.00 55.97 56.50 3kkk s LYS 177 Cb 0.00 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3kkk s LYS 177 CO 0.00 0.57 0.80 0.15 -0.92 0.00 0.00 175.35 175.95 3kkk s LYS 178 N -0.89 3.76 -0.10 1.68 1.02 -1.26 -4.19 119.74 119.76 3kkk s LYS 178 Ca 0.29 0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.58 3kkk s LYS 178 Cb -0.19 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 3kkk s LYS 178 CO 0.19 -0.86 0.03 0.08 -0.92 0.00 0.00 175.35 173.87 3kkk s VAL 179 N 3.13 4.58 -0.09 3.17 1.01 -1.26 -0.22 120.40 130.72 3kkk s VAL 179 Ca 0.32 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3kkk s VAL 179 Cb -0.13 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3kkk s VAL 179 CO 0.17 0.59 -0.17 -0.32 0.00 0.00 0.00 175.10 175.37 3kkk s MET 180 N -0.76 2.97 -0.25 2.72 1.75 -0.91 -2.50 119.30 122.33 3kkk s MET 180 Ca 0.12 -0.75 -0.07 0.00 -1.25 0.00 0.00 55.69 53.74 3kkk s MET 180 Cb -0.12 -2.44 -0.02 0.00 2.84 0.00 0.00 34.83 35.09 3kkk s MET 180 CO 0.02 0.34 0.06 0.08 -0.65 0.00 0.00 175.02 174.88 3kkk s VAL 181 N -0.02 4.20 -0.24 10.11 1.01 -0.05 -0.49 120.40 134.91 3kkk s VAL 181 Ca -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3kkk s VAL 181 Cb -0.14 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.28 3kkk s VAL 181 CO 0.04 0.34 -0.03 0.00 0.00 0.00 0.00 175.10 175.45 3kkk s ALA 182 N 1.60 2.80 0.00 5.51 0.00 0.30 -1.23 121.76 130.74 3kkk s ALA 182 Ca 0.06 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3kkk s ALA 182 Cb -0.15 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3kkk s ALA 182 CO 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 175.76 175.12 3kkk n ALA 183 N 4.75 0.00 -2.52 0.00 0.00 -0.47 -3.89 120.51 118.38 3kkk n ALA 183 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 3kkk n ALA 183 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 3kkk n ALA 183 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kkk s HIS 184 N -0.09 2.42 0.10 0.00 3.76 -1.26 -1.85 115.29 118.38 3kkk s HIS 184 Ca 0.00 -0.32 -0.26 0.00 -0.15 0.00 0.00 55.06 54.33 3kkk s HIS 184 Cb 0.00 -1.10 -0.08 0.00 1.11 0.00 0.00 32.58 32.51 3kkk s HIS 184 CO 0.00 0.67 1.43 0.78 -0.85 0.00 0.00 174.74 176.77 3kkk h GLY 185 N 2.13 -1.22 1.72 -2.22 0.00 -1.94 -0.18 103.07 101.36 3kkk h GLY 185 Ca -0.41 0.76 -0.15 0.00 0.00 0.00 0.00 47.33 47.53 3kkk h GLY 185 CO 0.61 -0.24 -0.59 3.43 0.00 0.00 0.00 176.54 179.75 3kkk h ASN 186 N -0.29 0.33 0.11 0.19 2.35 -1.97 0.35 115.58 116.65 3kkk h ASN 186 Ca 0.06 -0.19 -0.15 0.00 -0.55 0.00 0.00 56.30 55.47 3kkk h ASN 186 Cb 0.46 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3kkk h ASN 186 CO -0.49 0.85 -0.55 0.77 -1.65 0.00 0.00 177.43 176.35 3kkk h SER 187 N 0.22 0.53 -0.32 5.81 4.64 -1.76 -1.87 113.55 120.80 3kkk h SER 187 Ca -0.00 -0.28 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 3kkk h SER 187 Cb 1.10 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3kkk h SER 187 CO 0.09 0.97 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.64 3kkk h LEU 188 N 0.36 0.83 -1.68 5.97 3.38 -0.84 -2.65 115.31 120.68 3kkk h LEU 188 Ca 0.01 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.59 3kkk h LEU 188 Cb 1.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3kkk h LEU 188 CO 0.10 1.13 0.36 0.03 0.09 0.00 0.00 178.44 180.15 3kkk h ARG 189 N 0.55 0.36 -0.48 1.13 3.08 -0.85 0.23 114.38 118.40 3kkk h ARG 189 Ca 0.05 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3kkk h ARG 189 Cb 0.90 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 3kkk h ARG 189 CO 0.08 0.24 -0.09 0.78 -1.07 0.00 0.00 179.97 179.91 3kkk h GLY 190 N 0.37 0.98 0.90 0.04 0.00 -1.15 -0.77 103.07 103.45 3kkk h GLY 190 Ca 0.24 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3kkk h GLY 190 CO -0.06 0.72 0.05 1.41 0.00 0.00 0.00 176.54 178.67 3kkk h LEU 191 N 0.76 0.50 -0.25 3.11 3.38 -0.96 -2.87 115.31 118.97 3kkk h LEU 191 Ca 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kkk h LEU 191 Cb 0.63 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3kkk h LEU 191 CO 0.04 0.63 0.16 0.58 0.09 0.00 0.00 178.44 179.94 3kkk h VAL 192 N 0.35 1.08 -0.80 1.22 2.07 -0.98 -0.36 116.25 118.82 3kkk h VAL 192 Ca 0.10 -0.18 0.18 0.00 0.82 0.00 0.00 66.70 67.62 3kkk h VAL 192 Cb 0.34 0.75 -0.11 0.00 -1.52 0.00 0.00 31.29 30.74 3kkk h VAL 192 CO 0.01 0.08 0.27 0.50 0.02 0.00 0.00 177.57 178.44 3kkk h LYS 193 N 0.33 0.33 0.03 1.57 3.64 -1.08 0.11 116.57 121.49 3kkk h LYS 193 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3kkk h LYS 193 Cb -0.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3kkk h LYS 193 CO -0.02 0.22 -0.02 1.25 -2.27 0.00 0.00 179.45 178.61 3kkk h HIS 194 N 0.33 -0.04 -0.33 1.91 2.76 -1.25 0.46 115.15 118.99 3kkk h HIS 194 Ca 0.47 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.71 3kkk h HIS 194 Cb 0.83 0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.72 3kkk h HIS 194 CO -0.21 0.48 -0.31 -0.07 -1.30 0.00 0.00 177.93 176.52 3kkk h LEU 195 N -0.59 -1.03 -1.42 0.26 3.38 -0.07 -1.75 115.31 114.09 3kkk h LEU 195 Ca -0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kkk h LEU 195 Cb 0.54 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3kkk h LEU 195 CO 0.01 -0.32 0.00 0.47 0.09 0.00 0.00 178.44 178.69 3kkk n ASP 196 N -5.41 2.10 -3.99 -0.43 8.00 0.29 -4.52 116.55 112.58 3kkk n ASP 196 Ca 0.00 -1.86 -0.26 0.00 0.71 0.00 0.00 54.79 53.37 3kkk n ASP 196 Cb 0.33 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3kkk n ASP 196 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kkk n ASN 197 N 0.62 -0.28 -4.81 -2.24 5.15 -0.42 -4.92 115.26 108.36 3kkk n ASN 197 Ca 0.16 -1.05 -0.33 0.00 -0.60 0.00 0.00 54.58 52.76 3kkk n ASN 197 Cb 0.37 -2.86 -0.00 0.00 -0.53 0.00 0.00 39.78 36.76 3kkk n ASN 197 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kkk s LEU 198 N -7.01 3.55 0.88 1.20 1.43 0.02 -5.02 118.68 113.73 3kkk s LEU 198 Ca 0.02 1.80 -0.13 0.00 -1.03 0.00 0.00 54.13 54.78 3kkk s LEU 198 Cb -0.01 -4.53 0.15 0.00 0.03 0.00 0.00 46.19 41.83 3kkk s LEU 198 CO 0.90 -1.04 1.23 -0.94 0.23 0.00 0.00 176.35 176.73 3kkk s SER 199 N -2.73 3.73 0.08 2.29 1.04 -1.26 -4.89 113.70 111.96 3kkk s SER 199 Ca 0.63 0.36 -0.22 0.00 0.48 0.00 0.00 55.95 57.20 3kkk s SER 199 Cb -0.15 -0.60 -0.13 0.00 0.10 0.00 0.00 66.02 65.24 3kkk s SER 199 CO 0.34 -2.34 1.67 -0.33 0.98 0.00 0.00 173.24 173.56 3kkk h GLU 200 N -1.30 0.10 -0.52 4.02 5.08 -1.99 -1.94 114.58 118.03 3kkk h GLU 200 Ca -0.44 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.98 3kkk h GLU 200 Cb 1.27 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 3kkk h GLU 200 CO 0.47 0.16 0.19 0.00 -1.00 0.00 0.00 179.01 178.82 3kkk h ALA 201 N 0.94 0.64 -0.05 3.43 0.00 -1.99 -1.62 119.26 120.60 3kkk h ALA 201 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kkk h ALA 201 Cb 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kkk h ALA 201 CO -0.00 -0.21 0.02 -0.44 0.00 0.00 0.00 179.25 178.62 3kkk h ASP 202 N 0.37 0.06 -0.01 0.00 3.32 -1.92 -2.76 116.42 115.48 3kkk h ASP 202 Ca 0.25 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3kkk h ASP 202 Cb 0.27 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3kkk h ASP 202 CO -0.25 0.17 -0.07 1.62 -1.72 0.00 0.00 179.24 178.98 3kkk h VAL 203 N -0.04 1.14 0.00 -1.35 3.04 -1.06 -1.76 116.25 116.21 3kkk h VAL 203 Ca 0.02 -0.58 -0.11 0.00 -1.01 0.00 0.00 66.70 65.02 3kkk h VAL 203 Cb 0.12 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 3kkk h VAL 203 CO -0.00 0.18 -0.52 -0.07 -1.01 0.00 0.00 177.57 176.15 3kkk h LEU 204 N 0.20 0.00 0.00 3.16 3.38 -1.18 -2.97 115.31 117.90 3kkk h LEU 204 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3kkk h LEU 204 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kkk h LEU 204 CO 0.01 0.52 -0.30 -0.33 0.09 0.00 0.00 178.44 178.43 3kkk h GLU 205 N 0.00 0.00 -6.45 1.13 4.39 -1.06 -3.46 114.58 109.12 3kkk h GLU 205 Ca -0.01 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.16 3kkk h GLU 205 Cb 0.93 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.60 3kkk h GLU 205 CO 0.07 0.29 1.08 -1.17 -1.16 0.00 0.00 179.01 178.12 3kkk s LEU 206 N -6.35 4.39 -0.32 1.33 2.96 -0.76 -4.98 118.68 114.95 3kkk s LEU 206 Ca 0.05 2.61 0.03 0.00 -0.22 0.00 0.00 54.13 56.60 3kkk s LEU 206 Cb 0.06 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.29 3kkk s LEU 206 CO 0.71 -0.96 0.03 0.20 -1.32 0.00 0.00 176.35 175.02 3kkk s ASN 207 N 2.84 4.57 -0.26 3.68 0.01 -1.26 -5.02 114.94 119.49 3kkk s ASN 207 Ca 0.79 -1.93 -0.25 0.00 -0.71 0.00 0.00 52.86 50.75 3kkk s ASN 207 Cb -0.42 -1.48 0.00 0.00 0.41 0.00 0.00 41.25 39.76 3kkk s ASN 207 CO 0.35 -0.35 0.87 -0.63 -1.51 0.00 0.00 177.10 175.83 3kkk s ILE 208 N 1.06 4.77 0.61 0.60 1.01 -1.26 -5.03 121.20 122.96 3kkk s ILE 208 Ca 0.07 1.58 -0.15 0.00 0.00 0.00 0.00 60.65 62.15 3kkk s ILE 208 Cb -0.19 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3kkk s ILE 208 CO -0.10 -0.16 1.06 -2.16 0.00 0.00 0.00 174.94 173.58 3kkk s PRO 209 N 2.99 3.22 0.18 2.79 0.04 -1.26 -4.97 135.00 137.99 3kkk s PRO 209 Ca 0.37 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 3kkk s PRO 209 Cb -0.15 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3kkk s PRO 209 CO 0.09 -0.89 1.04 0.95 0.04 0.00 0.00 177.00 178.23 3kkk s THR 210 N -2.52 4.02 -0.64 1.26 -4.23 -1.26 -4.02 115.64 108.24 3kkk s THR 210 Ca 0.63 1.78 0.00 0.00 -1.18 0.00 0.00 61.69 62.92 3kkk s THR 210 Cb -0.16 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.54 3kkk s THR 210 CO 0.40 0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 3kkk n GLY 211 N 1.94 0.77 3.25 3.99 0.00 -0.08 -4.96 105.19 110.11 3kkk n GLY 211 Ca 0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3kkk n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkk s VAL 212 N -1.96 3.05 0.18 1.61 1.01 -1.26 -4.43 120.40 118.60 3kkk s VAL 212 Ca 0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 3kkk s VAL 212 Cb 0.00 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.85 3kkk s VAL 212 CO 0.00 0.37 1.58 -2.84 0.00 0.00 0.00 175.10 174.21 3kkk s PRO 213 N 1.41 4.20 -0.39 2.72 0.02 -1.26 -4.57 135.00 137.13 3kkk s PRO 213 Ca 0.04 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.36 3kkk s PRO 213 Cb -0.15 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 31.28 3kkk s PRO 213 CO -0.05 -0.62 0.22 -1.17 -0.33 0.00 0.00 177.00 175.05 3kkk s LEU 214 N 1.02 4.84 -0.21 -5.54 2.96 0.17 -1.75 118.68 120.17 3kkk s LEU 214 Ca 0.70 -1.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.32 3kkk s LEU 214 Cb -0.45 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3kkk s LEU 214 CO 0.32 -0.43 0.34 -0.69 -1.32 0.00 0.00 176.35 174.58 3kkk s VAL 215 N 1.52 5.24 -0.17 1.68 1.01 0.26 -0.63 120.40 129.31 3kkk s VAL 215 Ca 0.02 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 3kkk s VAL 215 Cb -0.20 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3kkk s VAL 215 CO 0.05 0.27 -0.00 -0.31 0.00 0.00 0.00 175.10 175.11 3kkk s TYR 216 N 1.26 3.09 -0.25 5.22 2.02 0.82 -1.59 117.35 127.92 3kkk s TYR 216 Ca 0.16 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.53 3kkk s TYR 216 Cb -0.14 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.36 3kkk s TYR 216 CO 0.07 -0.01 0.22 -1.21 -1.57 0.00 0.00 175.55 173.06 3kkk s GLU 217 N 0.44 4.05 0.09 -0.62 2.02 0.07 -0.73 118.70 124.01 3kkk s GLU 217 Ca -0.01 -0.19 0.08 0.00 0.02 0.00 0.00 54.97 54.86 3kkk s GLU 217 Cb -0.14 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 3kkk s GLU 217 CO 0.02 -0.05 -0.15 -0.51 0.02 0.00 0.00 175.26 174.59 3kkk s LEU 218 N 1.38 2.82 0.00 1.80 1.43 -0.12 0.12 118.68 126.12 3kkk s LEU 218 Ca 0.10 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3kkk s LEU 218 Cb -0.15 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.45 3kkk s LEU 218 CO 0.07 0.20 0.20 -0.90 0.23 0.00 0.00 176.35 176.15 3kkk n ASP 219 N 0.96 0.08 0.27 2.29 5.68 0.09 -0.98 116.55 124.94 3kkk n ASP 219 Ca -0.15 -1.11 0.13 0.00 -0.50 0.00 0.00 54.79 53.16 3kkk n ASP 219 Cb 0.52 -0.14 0.77 0.00 -1.14 0.00 0.00 41.12 41.13 3kkk n ASP 219 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3kkk h GLU 220 N 0.00 0.00 -0.62 0.11 4.11 -1.85 -1.45 114.58 114.88 3kkk h GLU 220 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3kkk h GLU 220 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3kkk h GLU 220 CO 0.05 0.09 0.00 0.09 0.07 0.00 0.00 179.01 179.31 3kkk n ASN 221 N -3.72 3.44 -0.28 3.06 3.02 -1.26 -4.94 115.26 114.58 3kkk n ASN 221 Ca -0.02 -2.06 -0.04 0.00 -0.03 0.00 0.00 54.58 52.44 3kkk n ASN 221 Cb 0.19 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 3kkk n ASN 221 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kkk n LEU 222 N 1.26 0.05 -4.71 3.41 4.77 -0.55 -5.01 117.00 116.22 3kkk n LEU 222 Ca 0.21 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 3kkk n LEU 222 Cb 0.56 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 3kkk n LEU 222 CO 0.15 -0.51 0.77 -0.75 -1.33 0.00 0.00 177.39 175.72 3kkk s LYS 223 N -1.66 4.50 0.14 3.23 2.20 -1.26 -4.72 119.74 122.17 3kkk s LYS 223 Ca 0.00 1.58 -0.31 0.00 -0.36 0.00 0.00 55.97 56.88 3kkk s LYS 223 Cb 0.00 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 3kkk s LYS 223 CO 0.00 -0.15 1.68 -2.14 -0.36 0.00 0.00 175.35 174.38 3kkk s PRO 224 N 1.04 4.18 -0.11 4.03 0.02 -1.26 -0.73 135.00 142.17 3kkk s PRO 224 Ca 0.55 2.45 -0.27 0.00 0.02 0.00 0.00 61.00 63.75 3kkk s PRO 224 Cb -0.25 -3.36 -0.26 0.00 0.02 0.00 0.00 34.50 30.65 3kkk s PRO 224 CO 0.28 -0.72 0.84 0.82 -0.33 0.00 0.00 177.00 177.90 3kkk h ILE 225 N 4.35 1.70 -2.79 2.83 2.04 -0.64 -3.47 117.51 121.54 3kkk h ILE 225 Ca -0.43 -2.27 0.07 0.00 1.00 0.00 0.00 64.86 63.22 3kkk h ILE 225 Cb 1.21 3.23 -0.09 0.00 -0.74 0.00 0.00 36.82 40.43 3kkk h ILE 225 CO 0.93 0.60 0.30 -1.59 0.00 0.00 0.00 178.15 178.40 3kkk s LYS 226 N -2.46 1.40 0.06 2.37 -2.85 -1.16 -5.03 119.74 112.08 3kkk s LYS 226 Ca -0.18 -0.69 0.02 0.00 -1.00 0.00 0.00 55.97 54.12 3kkk s LYS 226 Cb -0.02 0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 3kkk s LYS 226 CO 0.72 -0.63 -0.07 -3.38 0.10 0.00 0.00 175.35 172.09 3kkk s HIS 227 N -3.65 0.72 0.18 1.78 -3.43 -1.26 -0.75 115.29 108.87 3kkk s HIS 227 Ca 0.07 -0.70 -0.22 0.00 -0.80 0.00 0.00 55.06 53.41 3kkk s HIS 227 Cb -0.03 -0.43 0.06 0.00 -1.43 0.00 0.00 32.58 30.74 3kkk s HIS 227 CO -0.02 -0.14 0.59 1.52 -2.00 0.00 0.00 174.74 174.70 3kkk s TYR 228 N -2.44 -0.43 -0.06 0.38 1.13 -0.62 -5.00 117.35 110.31 3kkk s TYR 228 Ca -0.01 0.17 -0.05 0.00 -1.41 0.00 0.00 57.07 55.77 3kkk s TYR 228 Cb -0.03 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 3kkk s TYR 228 CO -0.02 -0.90 0.16 0.71 -2.51 0.00 0.00 175.55 172.99 3kkk s TYR 229 N -3.79 3.57 -0.71 -3.49 2.02 -1.26 -0.57 117.35 113.12 3kkk s TYR 229 Ca 0.03 0.44 -0.21 0.00 -0.37 0.00 0.00 57.07 56.96 3kkk s TYR 229 Cb -0.01 -1.88 0.10 0.00 -0.40 0.00 0.00 41.96 39.76 3kkk s TYR 229 CO -0.09 0.69 0.93 -0.51 -1.57 0.00 0.00 175.55 175.00 3kkk s LEU 230 N -1.51 4.84 0.00 -1.29 1.43 -0.71 -4.98 118.68 116.47 3kkk s LEU 230 Ca 0.21 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 3kkk s LEU 230 Cb -0.12 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3kkk s LEU 230 CO 0.12 -1.26 0.00 -0.11 0.23 0.00 0.00 176.35 175.33