#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkk s THR 2 N 0.00 4.81 0.10 2.03 2.01 -1.26 -5.05 115.64 118.28 3kkk s THR 2 Ca 0.00 1.91 0.09 0.00 0.31 0.00 0.00 61.69 64.00 3kkk s THR 2 Cb 0.00 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3kkk s THR 2 CO 0.00 -0.00 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.81 3kkk s THR 3 N 2.15 1.89 0.05 -0.82 2.01 -1.26 -3.38 115.64 116.28 3kkk s THR 3 Ca 0.45 -1.58 0.07 0.00 0.31 0.00 0.00 61.69 60.93 3kkk s THR 3 Cb -0.17 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3kkk s THR 3 CO 0.15 0.02 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.60 3kkk s TYR 4 N -1.09 1.64 -0.20 4.92 2.02 0.10 -4.96 117.35 119.78 3kkk s TYR 4 Ca 0.09 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 3kkk s TYR 4 Cb -0.10 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 3kkk s TYR 4 CO 0.05 0.08 -0.04 0.99 -1.57 0.00 0.00 175.55 175.06 3kkk s THR 5 N -0.84 3.52 -0.05 -0.71 2.01 -1.26 -0.83 115.64 117.47 3kkk s THR 5 Ca 0.06 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.66 3kkk s THR 5 Cb -0.09 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 3kkk s THR 5 CO 0.02 0.44 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.93 3kkk s LEU 6 N 1.11 2.15 -0.15 4.42 2.96 -0.18 -4.23 118.68 124.74 3kkk s LEU 6 Ca 0.01 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3kkk s LEU 6 Cb -0.15 -1.39 0.01 0.00 0.50 0.00 0.00 46.19 45.16 3kkk s LEU 6 CO -0.00 0.27 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.43 3kkk s VAL 7 N -0.32 2.36 0.05 1.68 1.01 -0.88 -0.38 120.40 123.93 3kkk s VAL 7 Ca 0.01 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3kkk s VAL 7 Cb -0.13 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3kkk s VAL 7 CO 0.02 0.53 -0.01 -0.76 0.00 0.00 0.00 175.10 174.88 3kkk s LEU 8 N 0.89 3.45 -0.18 3.92 1.43 0.37 -0.75 118.68 127.80 3kkk s LEU 8 Ca -0.05 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3kkk s LEU 8 Cb -0.15 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.06 3kkk s LEU 8 CO -0.02 0.22 0.39 -0.22 0.23 0.00 0.00 176.35 176.95 3kkk s LEU 9 N -1.94 -0.43 -0.07 1.79 2.96 -0.31 -0.04 118.68 120.65 3kkk s LEU 9 Ca 0.23 0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 54.87 3kkk s LEU 9 Cb -0.12 1.25 -0.05 0.00 0.50 0.00 0.00 46.19 47.77 3kkk s LEU 9 CO 0.14 -0.22 0.45 -0.60 -1.32 0.00 0.00 176.35 174.80 3kkk s ARG 10 N 2.24 4.19 0.79 1.98 3.52 -1.26 -1.06 118.95 129.34 3kkk s ARG 10 Ca -0.04 0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 55.89 3kkk s ARG 10 Cb -0.11 -3.35 0.07 0.00 -1.56 0.00 0.00 34.95 30.00 3kkk s ARG 10 CO -0.12 0.38 1.13 -3.38 -0.81 0.00 0.00 175.30 172.49 3kkk s HIS 11 N -0.08 2.23 0.00 5.12 -3.43 -0.94 -0.48 115.29 117.70 3kkk s HIS 11 Ca 0.25 1.63 0.00 0.00 -0.80 0.00 0.00 55.06 56.14 3kkk s HIS 11 Cb -0.16 -3.22 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 3kkk s HIS 11 CO 0.12 -2.20 0.00 0.41 -2.00 0.00 0.00 174.74 171.07 3kkk n GLY 12 N -0.43 -0.53 3.74 -1.38 0.00 -1.26 -4.31 105.19 101.02 3kkk n GLY 12 Ca 0.11 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3kkk n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kkk n GLU 13 N -0.51 2.77 -2.67 1.61 2.13 -1.26 -4.83 120.64 117.87 3kkk n GLU 13 Ca 0.00 0.99 -0.22 0.00 0.66 0.00 0.00 57.16 58.59 3kkk n GLU 13 Cb 0.00 -2.80 0.08 0.00 0.27 0.00 0.00 31.44 28.99 3kkk n GLU 13 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3kkk s SER 14 N 0.73 4.78 0.38 4.31 1.04 -1.26 -1.29 113.70 122.38 3kkk s SER 14 Ca 0.67 -0.32 0.15 0.00 0.48 0.00 0.00 55.95 56.94 3kkk s SER 14 Cb -0.49 -0.27 0.75 0.00 0.10 0.00 0.00 66.02 66.12 3kkk s SER 14 CO 0.43 -1.53 1.81 0.71 0.98 0.00 0.00 173.24 175.64 3kkk h THR 15 N -0.21 1.15 0.00 2.02 1.35 -1.69 -3.09 112.91 112.45 3kkk h THR 15 Ca -0.37 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 3kkk h THR 15 Cb 1.28 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3kkk h THR 15 CO 0.44 0.37 -0.40 -0.50 -0.25 0.00 0.00 175.52 175.17 3kkk h TRP 16 N 0.00 0.00 -0.32 4.73 4.06 -1.92 -3.27 115.95 119.23 3kkk h TRP 16 Ca -0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 3kkk h TRP 16 Cb 0.71 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.85 3kkk h TRP 16 CO 0.00 0.00 0.03 -0.91 -3.56 0.00 0.00 178.44 174.00 3kkk h ASN 17 N 0.00 0.45 -0.19 -3.49 -0.26 -1.81 -1.78 115.58 108.50 3kkk h ASN 17 Ca 0.00 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 3kkk h ASN 17 Cb 0.79 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 3kkk h ASN 17 CO 0.00 0.50 0.02 0.11 -1.06 0.00 0.00 177.43 177.00 3kkk h LYS 18 N 0.47 0.31 0.00 0.81 1.57 -1.71 -3.08 116.57 114.95 3kkk h LYS 18 Ca 0.11 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kkk h LYS 18 Cb 0.26 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kkk h LYS 18 CO 0.00 0.48 0.00 0.39 -0.57 0.00 0.00 179.45 179.76 3kkk n GLU 19 N -4.75 0.56 -3.72 3.15 1.02 -1.03 -4.88 120.64 111.00 3kkk n GLU 19 Ca -0.04 0.03 -0.24 0.00 -0.02 0.00 0.00 57.16 56.88 3kkk n GLU 19 Cb 0.19 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.16 3kkk n GLU 19 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kkk n ASN 20 N -1.16 -3.45 -4.66 1.62 5.15 -0.72 -4.86 115.26 107.18 3kkk n ASN 20 Ca 0.15 -0.73 -0.35 0.00 -0.60 0.00 0.00 54.58 53.06 3kkk n ASN 20 Cb 0.15 -4.32 -0.10 0.00 -0.53 0.00 0.00 39.78 34.98 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 -6.17 3.14 0.05 1.20 1.02 -0.91 -3.44 119.74 114.63 3kkk s LYS 21 Ca 0.33 -0.41 -0.31 0.00 0.02 0.00 0.00 55.97 55.61 3kkk s LYS 21 Cb -0.16 -2.85 -0.07 0.00 -0.52 0.00 0.00 37.83 34.24 3kkk s LYS 21 CO 0.79 0.62 1.48 -0.06 -0.92 0.00 0.00 175.35 177.26 3kkk s PHE 22 N -0.65 2.81 -0.15 3.18 0.08 -0.62 -4.68 117.98 117.96 3kkk s PHE 22 Ca 0.11 0.70 -0.14 0.00 0.12 0.00 0.00 56.93 57.71 3kkk s PHE 22 Cb -0.12 -3.76 -0.05 0.00 -0.57 0.00 0.00 43.02 38.52 3kkk s PHE 22 CO 0.02 -2.87 -0.27 2.41 -0.10 0.00 0.00 175.22 174.41 3kkk n THR 23 N 4.52 1.24 0.00 0.64 -1.04 -1.26 -1.01 114.28 117.37 3kkk n THR 23 Ca 0.14 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 3kkk n THR 23 Cb 0.42 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 3kkk n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kkk n GLY 24 N 1.49 3.96 0.22 3.41 0.00 -1.26 -1.77 105.19 111.24 3kkk n GLY 24 Ca -0.11 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 13.65 0.00 -1.68 1.61 7.02 -1.26 -4.62 117.44 132.16 3kkk n TRP 25 Ca 0.00 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.03 3kkk n TRP 25 Cb 0.00 -0.13 -0.04 0.00 -2.42 0.00 0.00 31.31 28.72 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 -0.67 0.01 -2.07 -0.99 -1.04 -0.73 -4.85 114.28 103.94 3kkk n THR 26 Ca 0.14 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.74 3kkk n THR 26 Cb 0.32 -1.66 -0.00 0.00 -1.82 0.00 0.00 70.33 67.17 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 3.60 7.10 -4.80 8.00 2.03 -1.26 -4.98 116.55 126.25 3kkk n ASP 27 Ca 0.17 -3.11 -0.36 0.00 0.52 0.00 0.00 54.79 52.01 3kkk n ASP 27 Cb 0.30 -1.41 -0.06 0.00 -0.72 0.00 0.00 41.12 39.23 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 -0.50 4.32 0.70 5.18 -7.23 -1.26 -4.82 120.40 116.79 3kkk s VAL 28 Ca 0.50 1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 62.19 3kkk s VAL 28 Cb 0.16 -3.89 0.01 0.00 0.56 0.00 0.00 36.38 33.22 3kkk s VAL 28 CO -0.06 0.05 1.06 -2.16 -0.31 0.00 0.00 175.10 173.69 3kkk s PRO 29 N -2.29 2.87 0.39 4.82 0.04 -1.26 -4.02 135.00 135.55 3kkk s PRO 29 Ca 0.51 0.84 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 3kkk s PRO 29 Cb -0.16 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3kkk s PRO 29 CO 0.21 -1.11 1.40 -0.51 0.04 0.00 0.00 177.00 177.03 3kkk s LEU 30 N -5.52 4.28 0.92 -3.56 1.43 -1.26 -2.07 118.68 112.90 3kkk s LEU 30 Ca 0.58 2.87 -0.12 0.00 -1.03 0.00 0.00 54.13 56.43 3kkk s LEU 30 Cb -0.13 -3.76 0.14 0.00 0.03 0.00 0.00 46.19 42.47 3kkk s LEU 30 CO 0.55 -0.86 1.11 -0.94 0.23 0.00 0.00 176.35 176.43 3kkk s SER 31 N -0.41 3.34 0.42 2.29 1.04 -0.41 -4.67 113.70 115.30 3kkk s SER 31 Ca 0.54 1.19 0.14 0.00 0.48 0.00 0.00 55.95 58.31 3kkk s SER 31 Cb -0.43 -1.85 1.01 0.00 0.10 0.00 0.00 66.02 64.85 3kkk s SER 31 CO 0.57 -2.69 1.93 -0.33 0.98 0.00 0.00 173.24 173.70 3kkk h GLU 32 N -1.59 0.44 -0.66 4.02 5.08 -1.96 -0.11 114.58 119.81 3kkk h GLU 32 Ca -0.51 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.75 3kkk h GLU 32 Cb 1.31 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 3kkk h GLU 32 CO 0.59 0.29 0.13 -0.22 -1.00 0.00 0.00 179.01 178.80 3kkk h LYS 33 N 0.46 1.07 -0.30 2.33 3.64 -1.92 -1.98 116.57 119.86 3kkk h LYS 33 Ca 0.35 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3kkk h LYS 33 Cb 0.74 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 3kkk h LYS 33 CO -0.12 0.97 -0.00 0.78 -2.27 0.00 0.00 179.45 178.82 3kkk h GLY 34 N 0.99 0.50 0.86 5.01 0.00 -1.11 -1.29 103.07 108.03 3kkk h GLY 34 Ca 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3kkk h GLY 34 CO 0.01 0.26 -0.15 0.83 0.00 0.00 0.00 176.54 177.49 3kkk h GLU 35 N 0.45 -0.40 -0.30 4.80 4.39 -0.85 -2.83 114.58 119.83 3kkk h GLU 35 Ca 0.10 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 3kkk h GLU 35 Cb 0.30 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3kkk h GLU 35 CO 0.01 -0.17 -0.04 0.93 -1.16 0.00 0.00 179.01 178.58 3kkk h GLU 36 N -0.57 0.48 -0.69 2.33 5.08 -1.17 -1.97 114.58 118.06 3kkk h GLU 36 Ca -0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3kkk h GLU 36 Cb 0.42 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3kkk h GLU 36 CO 0.07 0.54 0.35 0.93 -1.00 0.00 0.00 179.01 179.89 3kkk h GLU 37 N 0.45 0.99 -0.61 2.33 5.08 -1.23 0.69 114.58 122.29 3kkk h GLU 37 Ca 0.10 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3kkk h GLU 37 Cb 0.36 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3kkk h GLU 37 CO 0.02 0.77 0.14 0.00 -1.00 0.00 0.00 179.01 178.93 3kkk h ALA 38 N 1.17 1.10 -0.18 3.43 0.00 -1.15 -0.68 119.26 122.95 3kkk h ALA 38 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kkk h ALA 38 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kkk h ALA 38 CO -0.03 0.60 0.07 0.82 0.00 0.00 0.00 179.25 180.71 3kkk h ILE 39 N 0.91 1.16 -0.70 0.00 2.04 -1.05 -1.96 117.51 117.91 3kkk h ILE 39 Ca 0.19 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3kkk h ILE 39 Cb 0.34 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3kkk h ILE 39 CO 0.00 0.15 0.39 0.00 0.00 0.00 0.00 178.15 178.69 3kkk h ALA 40 N 0.91 1.38 -0.21 1.87 0.00 -0.59 0.22 119.26 122.85 3kkk h ALA 40 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kkk h ALA 40 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kkk h ALA 40 CO -0.00 0.52 0.10 0.00 0.00 0.00 0.00 179.25 179.86 3kkk h ALA 41 N 1.47 0.27 -0.46 0.00 0.00 -1.06 -2.07 119.26 117.40 3kkk h ALA 41 Ca 0.25 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3kkk h ALA 41 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kkk h ALA 41 CO -0.04 -0.17 0.28 0.78 0.00 0.00 0.00 179.25 180.10 3kkk h GLY 42 N 0.20 0.64 0.82 0.00 0.00 -0.52 -0.44 103.07 103.78 3kkk h GLY 42 Ca 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.22 3kkk h GLY 42 CO -0.01 0.18 0.27 1.70 0.00 0.00 0.00 176.54 178.69 3kkk h LYS 43 N 0.56 0.52 -0.44 4.80 3.64 -0.51 -0.36 116.57 124.78 3kkk h LYS 43 Ca 0.18 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 3kkk h LYS 43 Cb -0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3kkk h LYS 43 CO -0.08 0.35 -0.30 -0.92 -2.27 0.00 0.00 179.45 176.23 3kkk h TYR 44 N 0.54 1.14 -0.95 1.91 3.20 -1.12 -0.77 116.97 120.92 3kkk h TYR 44 Ca 0.20 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 3kkk h TYR 44 Cb 0.06 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 3kkk h TYR 44 CO -0.08 1.14 0.57 -0.07 -1.64 0.00 0.00 178.16 178.08 3kkk h LEU 45 N 0.81 1.14 -0.54 2.82 3.38 -0.87 -1.17 115.31 120.89 3kkk h LEU 45 Ca 0.09 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kkk h LEU 45 Cb 0.89 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3kkk h LEU 45 CO 0.08 0.88 0.13 0.50 0.09 0.00 0.00 178.44 180.12 3kkk h LYS 46 N 1.31 0.86 -0.54 1.13 3.64 -0.81 0.24 116.57 122.40 3kkk h LYS 46 Ca 0.34 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3kkk h LYS 46 Cb -0.05 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3kkk h LYS 46 CO -0.06 0.81 0.25 0.93 -2.27 0.00 0.00 179.45 179.11 3kkk h GLU 47 N 0.76 0.78 -0.03 1.90 5.08 -0.79 -1.89 114.58 120.39 3kkk h GLU 47 Ca 0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kkk h GLU 47 Cb 0.33 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3kkk h GLU 47 CO 0.00 0.66 0.00 1.63 -1.00 0.00 0.00 179.01 180.30 3kkk n LYS 48 N -4.56 1.11 -2.48 2.33 4.76 -0.47 -4.91 118.16 113.94 3kkk n LYS 48 Ca 0.03 -0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 55.21 3kkk n LYS 48 Cb 0.13 -1.30 0.01 0.00 -1.84 0.00 0.00 35.03 32.03 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 -0.62 -3.37 -4.75 4.39 5.15 -0.71 -5.01 115.26 110.33 3kkk n ASN 49 Ca 0.14 -0.09 -0.40 0.00 -0.60 0.00 0.00 54.58 53.63 3kkk n ASN 49 Cb 0.10 -2.38 -0.06 0.00 -0.53 0.00 0.00 39.78 36.91 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 -2.71 3.97 0.11 1.20 0.08 0.01 -5.03 117.98 115.63 3kkk s PHE 50 Ca 0.10 1.90 0.06 0.00 0.12 0.00 0.00 56.93 59.10 3kkk s PHE 50 Cb -0.04 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 3kkk s PHE 50 CO 0.12 0.45 -0.14 0.15 -0.10 0.00 0.00 175.22 175.70 3kkk s LYS 51 N -1.22 0.99 0.02 0.44 -0.14 -1.26 -4.66 119.74 113.91 3kkk s LYS 51 Ca 0.41 -1.20 0.04 0.00 -1.36 0.00 0.00 55.97 53.85 3kkk s LYS 51 Cb -0.26 -0.88 -0.02 0.00 -1.68 0.00 0.00 37.83 35.00 3kkk s LYS 51 CO 0.31 0.17 -0.11 -0.06 -0.76 0.00 0.00 175.35 174.90 3kkk s PHE 52 N -2.06 0.99 -0.13 3.18 0.08 -1.26 -4.81 117.98 113.98 3kkk s PHE 52 Ca 0.07 -0.30 0.19 0.00 0.12 0.00 0.00 56.93 57.02 3kkk s PHE 52 Cb -0.05 -0.61 -0.24 0.00 -0.57 0.00 0.00 43.02 41.55 3kkk s PHE 52 CO 0.03 -0.00 0.41 -0.25 -0.10 0.00 0.00 175.22 175.31 3kkk n ASP 53 N 2.20 0.25 -3.72 1.36 8.00 0.71 -4.91 116.55 120.45 3kkk n ASP 53 Ca -0.17 0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.31 3kkk n ASP 53 Cb 0.55 1.05 -0.09 0.00 -0.02 0.00 0.00 41.12 42.61 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 -2.92 0.02 -0.13 2.53 0.11 -1.17 -4.31 120.40 114.53 3kkk s VAL 54 Ca -0.07 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 3kkk s VAL 54 Cb 0.09 -0.64 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 3kkk s VAL 54 CO 0.85 -0.09 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.65 3kkk s VAL 55 N -0.43 2.41 -0.10 2.04 1.01 -0.55 -2.06 120.40 122.72 3kkk s VAL 55 Ca -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3kkk s VAL 55 Cb -0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3kkk s VAL 55 CO 0.03 0.54 0.02 -0.31 0.00 0.00 0.00 175.10 175.38 3kkk s TYR 56 N 0.57 3.23 0.34 5.22 2.02 0.05 -0.61 117.35 128.18 3kkk s TYR 56 Ca -0.11 0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.78 3kkk s TYR 56 Cb -0.16 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 3kkk s TYR 56 CO 0.04 0.47 0.50 -2.37 -1.57 0.00 0.00 175.55 172.62 3kkk n THR 57 N 2.26 0.00 -1.61 -0.71 5.66 -0.28 -0.34 114.28 119.26 3kkk n THR 57 Ca -0.19 -1.62 0.00 0.00 -3.05 0.00 0.00 64.05 59.19 3kkk n THR 57 Cb 0.54 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.36 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 0.00 -1.26 1.09 3.41 -1.25 -1.30 113.62 112.68 3kkk n SER 58 Ca -0.00 -0.91 0.09 0.00 -0.26 0.00 0.00 58.87 57.79 3kkk n SER 58 Cb 0.56 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.50 1.58 -3.67 -3.33 0.24 -1.21 -3.79 118.33 106.65 3kkk n VAL 59 Ca 0.00 -1.21 -0.36 0.00 -2.04 0.00 0.00 64.34 60.72 3kkk n VAL 59 Cb 0.00 0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 32.52 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 -1.65 4.31 0.32 1.34 1.43 -1.26 -5.01 118.68 118.16 3kkk s LEU 60 Ca 0.44 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 3kkk s LEU 60 Cb 0.27 -2.25 0.53 0.00 0.03 0.00 0.00 46.19 44.78 3kkk s LEU 60 CO 0.22 0.24 1.98 0.07 0.23 0.00 0.00 176.35 179.09 3kkk h LYS 61 N 5.91 0.94 -0.26 1.70 2.10 -1.87 -1.75 116.57 123.33 3kkk h LYS 61 Ca -0.47 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 3kkk h LYS 61 Cb 1.19 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.30 3kkk h LYS 61 CO 0.69 0.64 0.16 0.07 -2.00 0.00 0.00 179.45 179.01 3kkk h ARG 62 N 0.96 0.34 0.03 0.07 0.11 -1.92 0.63 114.38 114.60 3kkk h ARG 62 Ca 0.25 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 60.26 3kkk h ARG 62 Cb -0.07 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 30.94 3kkk h ARG 62 CO -0.05 0.23 -0.22 0.00 0.10 0.00 0.00 179.97 180.03 3kkk h ALA 63 N 1.83 -0.02 -0.49 0.08 0.00 -1.69 -3.19 119.26 115.80 3kkk h ALA 63 Ca 0.09 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.51 3kkk h ALA 63 Cb -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kkk h ALA 63 CO -0.02 0.09 0.27 0.82 0.00 0.00 0.00 179.25 180.41 3kkk h ILE 64 N -0.77 1.00 0.00 0.00 2.04 -0.79 -1.32 117.51 117.68 3kkk h ILE 64 Ca -0.04 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3kkk h ILE 64 Cb 1.13 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3kkk h ILE 64 CO 0.04 0.10 -0.16 0.00 0.00 0.00 0.00 178.15 178.12 3kkk h THR 66 N 0.00 1.44 -0.45 0.00 2.02 -1.33 -1.86 112.91 112.73 3kkk h THR 66 Ca -0.00 -1.32 0.09 0.00 0.77 0.00 0.00 66.41 65.94 3kkk h THR 66 Cb 0.36 2.32 -0.08 0.00 -1.74 0.00 0.00 68.15 69.02 3kkk h THR 66 CO 0.02 0.35 -0.03 0.00 0.37 0.00 0.00 175.52 176.23 3kkk h ALA 67 N 0.45 0.39 0.24 6.16 0.00 -0.86 -2.03 119.26 123.61 3kkk h ALA 67 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kkk h ALA 67 Cb 0.57 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3kkk h ALA 67 CO 0.00 -0.41 -0.27 -1.49 0.00 0.00 0.00 179.25 177.09 3kkk h TRP 68 N 0.08 -0.72 -0.34 0.00 4.06 -1.05 -0.74 115.95 117.23 3kkk h TRP 68 Ca 0.22 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.21 3kkk h TRP 68 Cb 0.33 0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.76 3kkk h TRP 68 CO -0.32 -0.39 0.23 -0.91 -3.56 0.00 0.00 178.44 173.50 3kkk h ASN 69 N -0.55 0.29 0.10 -3.49 2.35 -1.20 0.45 115.58 113.52 3kkk h ASN 69 Ca 0.00 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kkk h ASN 69 Cb 0.52 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3kkk h ASN 69 CO -0.08 0.20 -0.05 0.58 -1.65 0.00 0.00 177.43 176.44 3kkk h VAL 70 N 0.34 1.13 -0.80 2.81 2.07 -0.98 -2.21 116.25 118.61 3kkk h VAL 70 Ca 0.14 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3kkk h VAL 70 Cb 0.15 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 3kkk h VAL 70 CO -0.03 0.27 0.48 -0.07 0.02 0.00 0.00 177.57 178.23 3kkk h LEU 71 N -0.68 0.72 -0.13 2.57 3.38 -0.72 -0.46 115.31 119.99 3kkk h LEU 71 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kkk h LEU 71 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kkk h LEU 71 CO 0.02 0.45 0.02 0.50 0.09 0.00 0.00 178.44 179.52 3kkk h LYS 72 N 0.85 0.23 -0.14 1.13 3.64 -0.96 0.37 116.57 121.68 3kkk h LYS 72 Ca 0.36 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.58 3kkk h LYS 72 Cb 0.23 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3kkk h LYS 72 CO -0.19 0.42 -0.37 1.15 -2.27 0.00 0.00 179.45 178.19 3kkk h THR 73 N -0.00 1.29 -0.00 1.00 2.02 -1.23 -2.18 112.91 113.80 3kkk h THR 73 Ca 0.04 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.79 3kkk h THR 73 Cb 0.31 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3kkk h THR 73 CO 0.00 0.43 -0.02 0.00 0.37 0.00 0.00 175.52 176.31 3kkk n ALA 74 N -2.48 2.66 -3.43 6.16 0.00 -0.20 -4.78 120.51 118.45 3kkk n ALA 74 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.97 3kkk n ALA 74 Cb 0.46 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.76 -4.37 -1.89 0.00 2.03 -0.55 -4.95 116.55 106.05 3kkk n ASP 75 Ca 0.21 -0.53 -0.11 0.00 0.52 0.00 0.00 54.79 54.88 3kkk n ASP 75 Cb 0.20 -4.70 0.06 0.00 -0.72 0.00 0.00 41.12 35.97 3kkk n ASP 75 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3kkk n LEU 76 N -4.32 3.43 0.29 -2.67 4.77 0.12 -4.88 117.00 113.73 3kkk n LEU 76 Ca -0.11 -3.97 0.15 0.00 -0.03 0.00 0.00 56.01 52.05 3kkk n LEU 76 Cb 0.60 -0.16 0.86 0.00 -2.33 0.00 0.00 43.42 42.38 3kkk n LEU 76 CO 0.58 1.60 1.07 -0.07 -1.33 0.00 0.00 177.39 179.24 3kkk h LEU 77 N 1.96 0.00 -1.10 2.23 3.38 -1.91 -2.00 115.31 117.86 3kkk h LEU 77 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kkk h LEU 77 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3kkk h LEU 77 CO 0.43 0.05 0.00 1.12 0.09 0.00 0.00 178.44 180.13 3kkk h HIS 78 N 0.00 0.00 -3.09 1.13 2.07 -1.94 -3.45 115.15 109.87 3kkk h HIS 78 Ca -0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 3kkk h HIS 78 Cb 0.14 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.15 3kkk h HIS 78 CO 0.00 0.00 0.73 0.08 -3.07 0.00 0.00 177.93 175.67 3kkk s VAL 79 N -3.50 3.15 0.37 6.12 1.01 -0.75 -4.96 120.40 121.84 3kkk s VAL 79 Ca 0.03 0.86 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 3kkk s VAL 79 Cb 0.09 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 3kkk s VAL 79 CO 0.46 0.08 1.33 -2.16 0.00 0.00 0.00 175.10 174.82 3kkk s PRO 80 N 0.74 4.13 -0.22 2.72 0.04 -1.26 -4.86 135.00 136.30 3kkk s PRO 80 Ca 0.63 2.24 -0.03 0.00 0.04 0.00 0.00 61.00 63.89 3kkk s PRO 80 Cb -0.38 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3kkk s PRO 80 CO 0.33 -0.39 -0.08 0.08 0.04 0.00 0.00 177.00 176.99 3kkk s VAL 81 N -1.19 3.06 -0.22 -0.36 1.01 -1.26 -1.48 120.40 119.96 3kkk s VAL 81 Ca 0.53 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 3kkk s VAL 81 Cb -0.40 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3kkk s VAL 81 CO 0.53 0.43 0.05 -0.69 0.00 0.00 0.00 175.10 175.41 3kkk s VAL 82 N 1.43 4.31 -0.18 2.92 1.01 0.22 -5.00 120.40 125.12 3kkk s VAL 82 Ca 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3kkk s VAL 82 Cb -0.14 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3kkk s VAL 82 CO -0.05 0.39 -0.01 -0.54 0.00 0.00 0.00 175.10 174.88 3kkk s LYS 83 N 1.19 3.66 -0.02 2.72 1.02 -1.26 -1.12 119.74 125.92 3kkk s LYS 83 Ca 0.04 -0.51 -0.02 0.00 0.02 0.00 0.00 55.97 55.50 3kkk s LYS 83 Cb -0.14 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.17 3kkk s LYS 83 CO 0.03 0.13 0.06 -0.08 -0.92 0.00 0.00 175.35 174.57 3kkk s THR 84 N 0.67 -0.01 0.58 2.17 -1.32 -0.42 -4.85 115.64 112.46 3kkk s THR 84 Ca -0.01 0.04 0.27 0.00 -1.21 0.00 0.00 61.69 60.78 3kkk s THR 84 Cb -0.14 -0.10 0.34 0.00 -1.51 0.00 0.00 72.50 71.09 3kkk s THR 84 CO 0.02 0.02 2.21 4.11 -2.21 0.00 0.00 174.62 178.76 3kkk h TRP 85 N 6.30 0.00 0.00 9.09 5.08 -1.89 -2.59 115.95 131.95 3kkk h TRP 85 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 3kkk h TRP 85 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 3kkk h TRP 85 CO 0.42 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.58 3kkk h ARG 86 N 0.00 0.00 -0.41 0.12 3.08 -1.93 -0.72 114.38 114.52 3kkk h ARG 86 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kkk h ARG 86 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3kkk h ARG 86 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3kkk n LEU 87 N -2.37 3.35 -4.65 3.04 4.77 -0.98 -4.14 117.00 116.02 3kkk n LEU 87 Ca -0.00 -1.62 -0.36 0.00 -0.03 0.00 0.00 56.01 54.00 3kkk n LEU 87 Cb 0.12 -0.27 0.09 0.00 -2.33 0.00 0.00 43.42 41.03 3kkk n LEU 87 CO 0.15 0.76 0.65 0.59 -1.33 0.00 0.00 177.39 178.21 3kkk n ASN 88 N 1.31 0.89 -4.44 -1.43 4.13 -0.28 -4.36 115.26 111.09 3kkk n ASN 88 Ca 0.18 0.69 -0.35 0.00 1.68 0.00 0.00 54.58 56.78 3kkk n ASN 88 Cb 0.56 -1.45 0.09 0.00 -1.54 0.00 0.00 39.78 37.44 3kkk n ASN 88 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3kkk n GLU 89 N -2.09 0.03 -1.72 3.52 4.07 -1.26 -4.53 120.64 118.67 3kkk n GLU 89 Ca 0.14 0.06 -0.42 0.00 -0.06 0.00 0.00 57.16 56.87 3kkk n GLU 89 Cb 0.49 -1.84 -0.03 0.00 -0.06 0.00 0.00 31.44 30.01 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 -1.13 2.77 -2.14 5.31 0.63 -1.26 -4.68 116.66 116.15 3kkk n ARG 90 Ca 0.08 1.00 -0.42 0.00 -0.92 0.00 0.00 57.85 57.59 3kkk n ARG 90 Cb 0.52 -2.85 -0.03 0.00 0.45 0.00 0.00 32.46 30.55 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 1.21 3.21 -2.07 -0.14 5.65 -1.26 -4.33 115.29 117.56 3kkk s HIS 91 Ca 0.75 0.93 0.21 0.00 0.25 0.00 0.00 55.06 57.21 3kkk s HIS 91 Cb -0.51 -3.71 0.58 0.00 -1.18 0.00 0.00 32.58 27.76 3kkk s HIS 91 CO 0.32 -2.49 1.49 0.00 -0.65 0.00 0.00 174.74 173.41 3kkk n GLY 93 N 1.56 3.36 0.00 0.00 0.00 -1.26 -1.95 105.19 106.90 3kkk n GLY 93 Ca 0.22 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 3.52 0.00 0.22 1.61 3.41 -0.78 -2.38 113.62 119.22 3kkk n SER 94 Ca 0.00 0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.98 3kkk n SER 94 Cb 0.00 -0.39 0.40 0.00 -0.26 0.00 0.00 64.21 63.96 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 -9.49 1.04 3.38 -1.67 -3.45 115.31 105.12 3kkk h LEU 95 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3kkk h LEU 95 Cb 0.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.04 3kkk h LEU 95 CO 0.00 0.20 1.02 0.00 0.09 0.00 0.00 178.44 179.75 3kkk n GLN 96 N -3.28 2.54 0.00 1.13 6.02 -1.00 -1.70 117.38 121.08 3kkk n GLN 96 Ca 0.01 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 3kkk n GLN 96 Cb 0.46 -2.77 0.00 0.00 1.02 0.00 0.00 30.24 28.95 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 4.03 3.39 3.89 1.08 0.00 -0.18 -4.99 105.19 112.40 3kkk n GLY 97 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 4.25 0.66 0.99 1.43 -0.69 -4.81 118.68 120.51 3kkk s LEU 98 Ca 0.00 0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 3kkk s LEU 98 Cb 0.00 -3.38 0.07 0.00 0.03 0.00 0.00 46.19 42.92 3kkk s LEU 98 CO 0.00 0.03 0.93 0.54 0.23 0.00 0.00 176.35 178.08 3kkk s ASN 99 N -2.33 4.79 0.47 2.29 2.20 -1.26 -1.58 114.94 119.51 3kkk s ASN 99 Ca 0.42 0.07 0.13 0.00 -0.94 0.00 0.00 52.86 52.54 3kkk s ASN 99 Cb -0.12 -0.71 1.07 0.00 -2.00 0.00 0.00 41.25 39.49 3kkk s ASN 99 CO 0.23 -1.55 2.08 0.11 -2.94 0.00 0.00 177.10 175.03 3kkk h LYS 100 N -0.38 0.16 0.01 3.55 1.57 -1.89 -1.82 116.57 117.77 3kkk h LYS 100 Ca -0.42 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.15 3kkk h LYS 100 Cb 1.29 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3kkk h LYS 100 CO 0.51 0.16 -0.89 0.66 -0.57 0.00 0.00 179.45 179.32 3kkk h SER 101 N 0.16 0.15 -0.32 0.86 4.64 -1.95 -1.67 113.55 115.42 3kkk h SER 101 Ca 0.04 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.10 3kkk h SER 101 Cb 0.08 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3kkk h SER 101 CO -0.00 0.96 -0.31 -0.33 -0.87 0.00 0.00 176.83 176.29 3kkk h GLU 102 N 0.06 0.78 -0.17 4.77 5.08 -1.81 -2.44 114.58 120.84 3kkk h GLU 102 Ca -0.03 -0.41 -0.17 0.00 -1.00 0.00 0.00 59.36 57.75 3kkk h GLU 102 Cb 1.55 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 3kkk h GLU 102 CO 0.13 1.03 -0.60 1.79 -1.00 0.00 0.00 179.01 180.36 3kkk h THR 103 N 0.55 1.32 -0.62 1.13 1.35 -1.37 -2.21 112.91 113.06 3kkk h THR 103 Ca 0.05 -1.86 -0.04 0.00 -0.55 0.00 0.00 66.41 64.01 3kkk h THR 103 Cb 0.88 1.83 -0.03 0.00 -1.73 0.00 0.00 68.15 69.11 3kkk h THR 103 CO 0.08 0.58 0.24 0.00 -0.25 0.00 0.00 175.52 176.16 3kkk h ALA 104 N 0.91 1.25 -0.43 6.62 0.00 -1.35 0.32 119.26 126.59 3kkk h ALA 104 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3kkk h ALA 104 Cb 1.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3kkk h ALA 104 CO 0.11 0.55 -0.28 -0.22 0.00 0.00 0.00 179.25 179.41 3kkk h LYS 105 N 0.89 0.92 0.01 0.00 3.64 -1.22 0.16 116.57 120.97 3kkk h LYS 105 Ca 0.21 -0.42 -0.14 0.00 -1.27 0.00 0.00 60.65 59.04 3kkk h LYS 105 Cb 0.19 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3kkk h LYS 105 CO -0.02 1.07 -0.53 0.87 -2.27 0.00 0.00 179.45 178.57 3kkk h LYS 106 N 0.78 0.35 0.00 1.90 1.57 -1.27 -3.41 116.57 116.48 3kkk h LYS 106 Ca 0.09 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3kkk h LYS 106 Cb 0.85 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3kkk h LYS 106 CO 0.07 1.07 -0.26 0.66 -0.57 0.00 0.00 179.45 180.43 3kkk n TYR 107 N -4.28 0.00 0.00 -1.35 4.01 0.09 -5.11 117.16 110.53 3kkk n TYR 107 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3kkk n TYR 107 Cb 0.64 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 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 1.18 -2.63 0.23 2.72 0.00 0.57 -4.37 105.19 102.89 3kkk n GLY 108 Ca 0.01 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -0.17 1.61 4.81 -1.87 -3.01 114.58 115.95 3kkk h GLU 109 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 3kkk h GLU 109 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 3kkk h GLU 109 CO 0.00 0.21 -0.74 0.93 -0.73 0.00 0.00 179.01 178.68 3kkk h GLU 110 N 0.00 0.78 -0.82 1.92 5.08 -1.95 -1.84 114.58 117.75 3kkk h GLU 110 Ca -0.00 -0.61 -0.02 0.00 -1.00 0.00 0.00 59.36 57.73 3kkk h GLU 110 Cb 0.45 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3kkk h GLU 110 CO 0.03 1.22 0.44 1.96 -1.00 0.00 0.00 179.01 181.66 3kkk h GLN 111 N 0.55 1.15 -0.58 2.33 4.20 -1.73 -2.72 115.11 118.30 3kkk h GLN 111 Ca -0.04 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 3kkk h GLN 111 Cb 1.36 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 3kkk h GLN 111 CO 0.15 0.86 -0.03 0.28 -0.67 0.00 0.00 178.83 179.42 3kkk h VAL 112 N 1.14 1.26 -0.23 -0.54 2.07 -1.43 -2.36 116.25 116.16 3kkk h VAL 112 Ca 0.29 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3kkk h VAL 112 Cb 0.05 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3kkk h VAL 112 CO -0.04 0.42 0.00 0.11 0.02 0.00 0.00 177.57 178.08 3kkk h LYS 113 N 0.95 0.07 -0.45 1.57 1.57 -1.24 -1.39 116.57 117.65 3kkk h LYS 113 Ca 0.16 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 3kkk h LYS 113 Cb 0.58 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 3kkk h LYS 113 CO 0.03 0.05 0.10 0.82 -0.57 0.00 0.00 179.45 179.89 3kkk h ILE 114 N 0.08 0.77 -0.06 1.86 2.04 -1.21 -1.87 117.51 119.12 3kkk h ILE 114 Ca 0.11 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 3kkk h ILE 114 Cb 0.14 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3kkk h ILE 114 CO -0.18 0.04 -0.31 -0.50 0.00 0.00 0.00 178.15 177.20 3kkk h TRP 115 N 0.24 0.11 -0.27 1.37 6.55 -1.09 -0.06 115.95 122.81 3kkk h TRP 115 Ca 0.22 -0.02 -0.15 0.00 0.95 0.00 0.00 58.89 59.89 3kkk h TRP 115 Cb 0.27 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 28.54 3kkk h TRP 115 CO -0.20 0.40 -0.43 0.00 -1.05 0.00 0.00 178.44 177.16 3kkk h ARG 116 N 0.09 0.77 -0.01 0.49 3.08 -0.63 -3.36 114.38 114.80 3kkk h ARG 116 Ca 0.01 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3kkk h ARG 116 Cb 0.60 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3kkk h ARG 116 CO 0.04 1.09 -0.33 0.54 -1.07 0.00 0.00 179.97 180.25 3kkk n ARG 117 N -4.14 1.57 -1.59 0.04 1.74 -0.76 -4.99 116.66 108.52 3kkk n ARG 117 Ca -0.05 -0.93 -0.31 0.00 -0.77 0.00 0.00 57.85 55.79 3kkk n ARG 117 Cb 0.56 -1.33 0.06 0.00 -1.02 0.00 0.00 32.46 30.74 3kkk n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kkk s SER 118 N -1.98 5.09 -0.22 0.55 0.15 -0.05 -5.01 113.70 112.22 3kkk s SER 118 Ca 0.15 1.47 -0.05 0.00 0.70 0.00 0.00 55.95 58.22 3kkk s SER 118 Cb 0.14 -2.30 -0.19 0.00 -1.71 0.00 0.00 66.02 61.97 3kkk s SER 118 CO 0.42 -1.61 -0.06 0.00 1.20 0.00 0.00 173.24 173.19 3kkk n TYR 119 N -3.22 0.41 -0.73 3.44 9.36 -1.26 -4.57 117.16 120.60 3kkk n TYR 119 Ca 0.07 0.11 0.03 0.00 3.32 0.00 0.00 57.90 61.43 3kkk n TYR 119 Cb 0.55 -1.05 0.04 0.00 -0.63 0.00 0.00 39.34 38.25 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 -3.59 1.51 -4.16 2.98 5.68 -1.26 -1.31 116.55 116.40 3kkk n ASP 120 Ca -0.43 -2.14 -0.36 0.00 -0.50 0.00 0.00 54.79 51.36 3kkk n ASP 120 Cb 0.96 -0.15 -0.12 0.00 -1.14 0.00 0.00 41.12 40.67 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 -1.24 3.28 0.51 2.12 1.01 -1.26 -4.95 121.20 120.67 3kkk s ILE 121 Ca 0.09 -1.70 -0.10 0.00 0.00 0.00 0.00 60.65 58.94 3kkk s ILE 121 Cb 0.08 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 3kkk s ILE 121 CO 0.01 -0.43 0.89 -2.16 0.00 0.00 0.00 174.94 173.26 3kkk s PRO 122 N 1.22 3.69 1.14 2.79 0.04 -1.26 -4.61 135.00 138.01 3kkk s PRO 122 Ca 0.02 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 3kkk s PRO 122 Cb -0.21 -2.24 0.26 0.00 0.04 0.00 0.00 34.50 32.34 3kkk s PRO 122 CO -0.02 -0.29 1.07 -1.25 0.04 0.00 0.00 177.00 176.55 3kkk s PRO 123 N -4.54 -0.70 0.62 0.56 0.04 -1.26 -4.97 135.00 124.76 3kkk s PRO 123 Ca 0.53 0.31 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 3kkk s PRO 123 Cb -0.10 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 3kkk s PRO 123 CO 0.42 -3.44 1.19 -2.30 0.04 0.00 0.00 177.00 172.91 3kkk n PRO 124 N -4.64 1.09 -2.51 0.56 -0.02 -1.26 -4.80 135.00 123.43 3kkk n PRO 124 Ca 0.08 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 3kkk n PRO 124 Cb 0.58 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 3kkk n PRO 124 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kkk s LYS 125 N -3.11 4.54 0.71 -0.52 1.02 -1.26 -1.87 119.74 119.24 3kkk s LYS 125 Ca 0.79 1.71 -0.11 0.00 0.02 0.00 0.00 55.97 58.39 3kkk s LYS 125 Cb -0.40 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3kkk s LYS 125 CO 0.43 0.15 1.06 -0.51 -0.92 0.00 0.00 175.35 175.56 3kkk s LEU 126 N -1.72 3.06 0.43 3.17 1.43 -0.78 -4.62 118.68 119.66 3kkk s LEU 126 Ca 0.47 1.57 0.04 0.00 -1.03 0.00 0.00 54.13 55.18 3kkk s LEU 126 Cb -0.29 -4.41 -0.05 0.00 0.03 0.00 0.00 46.19 41.46 3kkk s LEU 126 CO 0.37 -1.49 0.03 1.51 0.23 0.00 0.00 176.35 176.99 3kkk s ASP 127 N -3.83 3.65 0.59 2.29 1.47 -1.26 -4.80 116.67 114.78 3kkk s ASP 127 Ca 0.58 -1.50 0.38 0.00 1.18 0.00 0.00 52.55 53.20 3kkk s ASP 127 Cb -0.14 0.04 2.08 0.00 -0.34 0.00 0.00 42.92 44.56 3kkk s ASP 127 CO 0.55 -0.65 2.17 0.11 0.68 0.00 0.00 175.17 178.03 3kkk h LYS 128 N 1.68 0.00 0.00 2.11 1.57 -2.00 -0.90 116.57 119.03 3kkk h LYS 128 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3kkk h LYS 128 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3kkk h LYS 128 CO 0.75 0.00 -0.48 0.39 -0.57 0.00 0.00 179.45 179.54 3kkk n GLU 129 N -2.87 0.20 -2.64 3.15 1.02 -1.26 -4.86 120.64 113.38 3kkk n GLU 129 Ca -0.03 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 3kkk n GLU 129 Cb 0.09 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 3kkk n GLU 129 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kkk s ASP 130 N -3.90 7.33 0.37 1.62 -1.08 -0.34 -4.94 116.67 115.74 3kkk s ASP 130 Ca 0.08 1.79 0.26 0.00 -0.52 0.00 0.00 52.55 54.17 3kkk s ASP 130 Cb 0.15 -2.58 1.30 0.00 -1.46 0.00 0.00 42.92 40.33 3kkk s ASP 130 CO 0.69 -0.26 1.80 -0.55 0.52 0.00 0.00 175.17 177.38 3kkk h ASN 131 N 6.40 0.00 0.57 -0.34 -1.07 -1.89 -2.30 115.58 116.96 3kkk h ASN 131 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.95 3kkk h ASN 131 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 3kkk h ASN 131 CO 0.75 0.00 -0.13 0.54 0.07 0.00 0.00 177.43 178.66 3kkk n ARG 132 N -2.44 0.37 -1.90 4.14 1.74 -1.26 -4.87 116.66 112.44 3kkk n ARG 132 Ca -0.00 -0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 3kkk n ARG 132 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3kkk n ARG 132 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3kkk s TRP 133 N -2.71 2.05 0.57 -1.55 -0.00 -0.87 -4.87 118.94 111.57 3kkk s TRP 133 Ca 0.22 0.12 0.32 0.00 -0.00 0.00 0.00 56.10 56.76 3kkk s TRP 133 Cb 0.19 -4.01 1.43 0.00 -0.00 0.00 0.00 33.47 31.09 3kkk s TRP 133 CO 0.52 -4.22 1.78 -1.35 -0.00 0.00 0.00 176.95 173.69 3kkk h PRO 134 N 9.15 0.00 -0.05 5.86 0.11 -1.89 -0.01 132.00 145.17 3kkk h PRO 134 Ca -0.43 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.69 3kkk h PRO 134 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kkk h PRO 134 CO 0.94 0.00 0.11 0.78 -0.21 0.00 0.00 178.00 179.62 3kkk h GLY 135 N 0.00 0.00 1.10 -0.55 0.00 -1.89 -1.66 103.07 100.08 3kkk h GLY 135 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3kkk h GLY 135 CO -0.00 0.00 -0.49 1.42 0.00 0.00 0.00 176.54 177.46 3kkk n HIS 136 N -3.36 0.11 -3.19 5.60 8.25 -0.02 -4.87 115.22 117.75 3kkk n HIS 136 Ca -0.02 0.03 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 3kkk n HIS 136 Cb 0.19 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 30.89 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 -3.25 6.70 0.31 0.41 3.84 -0.63 -4.96 114.94 117.36 3kkk s ASN 137 Ca 0.10 0.84 0.26 0.00 0.21 0.00 0.00 52.86 54.26 3kkk s ASN 137 Cb 0.17 -2.33 1.05 0.00 -0.55 0.00 0.00 41.25 39.59 3kkk s ASN 137 CO 0.69 -0.15 1.76 -0.37 -2.79 0.00 0.00 177.10 176.24 3kkk h VAL 138 N 4.98 0.00 -0.88 -5.21 -1.51 -1.89 -2.37 116.25 109.36 3kkk h VAL 138 Ca -0.36 -0.29 0.24 0.00 -1.23 0.00 0.00 66.70 65.06 3kkk h VAL 138 Cb 1.16 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 31.36 3kkk h VAL 138 CO 0.76 0.00 0.62 0.58 -1.23 0.00 0.00 177.57 178.30 3kkk h VAL 139 N 0.00 0.59 -0.33 7.19 2.07 -1.93 -2.35 116.25 121.49 3kkk h VAL 139 Ca 0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3kkk h VAL 139 Cb 0.40 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3kkk h VAL 139 CO 0.00 0.02 0.01 -1.22 0.02 0.00 0.00 177.57 176.39 3kkk n TYR 140 N -4.34 1.20 0.28 1.57 4.01 -0.89 -4.71 117.16 114.28 3kkk n TYR 140 Ca 0.18 -0.89 0.12 0.00 -0.16 0.00 0.00 57.90 57.16 3kkk n TYR 140 Cb 0.89 -0.37 0.79 0.00 -0.31 0.00 0.00 39.34 40.34 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 2.19 0.00 -0.20 -0.72 2.10 -1.54 -0.69 116.57 117.71 3kkk h LYS 141 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3kkk h LYS 141 Cb 1.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 3kkk h LYS 141 CO 0.29 0.04 0.00 0.09 -2.00 0.00 0.00 179.45 177.88 3kkk n ASN 142 N -3.97 2.44 -4.78 7.07 5.03 -1.26 -4.86 115.26 114.92 3kkk n ASN 142 Ca -0.03 -1.82 -0.36 0.00 0.87 0.00 0.00 54.58 53.24 3kkk n ASN 142 Cb 0.13 -0.12 -0.07 0.00 -1.02 0.00 0.00 39.78 38.70 3kkk n ASN 142 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kkk s VAL 143 N -1.75 5.44 0.23 2.41 1.01 -0.27 -5.06 120.40 122.41 3kkk s VAL 143 Ca 0.34 0.21 -0.32 0.00 0.00 0.00 0.00 61.98 62.22 3kkk s VAL 143 Cb 0.20 -3.45 -0.13 0.00 0.00 0.00 0.00 36.38 33.00 3kkk s VAL 143 CO 0.30 0.50 1.61 -2.65 0.00 0.00 0.00 175.10 174.86 3kkk n PRO 144 N 2.96 2.51 -0.06 2.72 -0.02 -1.26 -4.88 135.00 136.97 3kkk n PRO 144 Ca -0.17 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 3kkk n PRO 144 Cb 0.53 -2.68 0.42 0.00 -0.02 0.00 0.00 33.50 31.75 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 5.60 0.57 -0.02 -0.52 1.57 -1.96 -0.59 116.57 121.21 3kkk h LYS 145 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3kkk h LYS 145 Cb 1.23 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3kkk h LYS 145 CO 0.86 0.37 0.00 -0.40 -0.57 0.00 0.00 179.45 179.72 3kkk n ASP 146 N -4.47 0.26 0.05 0.86 5.75 -1.26 -1.77 116.55 115.97 3kkk n ASP 146 Ca 0.06 -1.44 0.12 0.00 -0.01 0.00 0.00 54.79 53.52 3kkk n ASP 146 Cb 0.14 -0.02 0.25 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.63 2.90 -2.66 2.12 0.00 -0.23 -4.91 120.51 117.11 3kkk n ALA 147 Ca 0.15 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 3kkk n ALA 147 Cb 0.11 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 -3.97 4.33 0.40 0.00 1.43 -0.73 -5.06 118.68 115.09 3kkk s LEU 148 Ca 0.08 0.74 -0.23 0.00 -1.03 0.00 0.00 54.13 53.69 3kkk s LEU 148 Cb 0.14 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 3kkk s LEU 148 CO 0.69 0.15 0.99 -2.16 0.23 0.00 0.00 176.35 176.25 3kkk s PRO 149 N -0.04 4.26 0.18 1.29 0.04 -1.26 -4.95 135.00 134.53 3kkk s PRO 149 Ca 0.21 1.32 0.19 0.00 0.04 0.00 0.00 61.00 62.77 3kkk s PRO 149 Cb -0.15 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 3kkk s PRO 149 CO 0.09 -0.02 1.07 0.74 0.04 0.00 0.00 177.00 178.91 3kkk h PHE 150 N 2.40 0.00 -2.41 0.56 0.04 -1.97 -3.41 116.94 112.15 3kkk h PHE 150 Ca -0.48 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.42 3kkk h PHE 150 Cb 1.20 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.24 3kkk h PHE 150 CO 0.60 0.29 0.45 -0.08 -0.60 0.00 0.00 178.31 178.96 3kkk s THR 151 N -3.13 0.00 -0.07 -1.55 -1.32 -1.26 -1.86 115.64 106.46 3kkk s THR 151 Ca -0.00 -0.38 -0.10 0.00 -1.21 0.00 0.00 61.69 60.00 3kkk s THR 151 Cb 0.08 -1.53 0.02 0.00 -1.51 0.00 0.00 72.50 69.56 3kkk s THR 151 CO 0.78 0.00 0.25 -1.61 -2.21 0.00 0.00 174.62 171.83 3kkk s GLU 152 N -3.30 0.40 0.52 7.08 2.02 -0.88 -4.92 118.70 119.62 3kkk s GLU 152 Ca 0.08 0.15 0.09 0.00 0.02 0.00 0.00 54.97 55.31 3kkk s GLU 152 Cb -0.01 0.18 0.06 0.00 0.10 0.00 0.00 34.13 34.45 3kkk s GLU 152 CO -0.03 -0.07 0.67 0.00 0.02 0.00 0.00 175.26 175.85 3kkk h LEU 154 N 0.40 0.60 -0.59 0.00 5.85 -1.71 -2.25 115.31 117.61 3kkk h LEU 154 Ca -0.34 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.35 3kkk h LEU 154 Cb 1.29 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3kkk h LEU 154 CO 0.44 0.62 0.27 0.50 -0.34 0.00 0.00 178.44 179.94 3kkk h LYS 155 N 0.63 0.49 -0.16 1.25 3.64 -1.56 0.28 116.57 121.13 3kkk h LYS 155 Ca 0.14 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3kkk h LYS 155 Cb 0.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3kkk h LYS 155 CO 0.00 0.32 0.01 -0.44 -2.27 0.00 0.00 179.45 177.08 3kkk h ASP 156 N 0.50 -0.03 -0.54 4.20 3.32 -1.70 -1.13 116.42 121.04 3kkk h ASP 156 Ca 0.28 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3kkk h ASP 156 Cb 0.26 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3kkk h ASP 156 CO -0.23 0.01 0.35 0.74 -1.72 0.00 0.00 179.24 178.39 3kkk h THR 157 N 0.07 1.15 -0.83 0.35 2.02 -1.13 -1.23 112.91 113.31 3kkk h THR 157 Ca 0.07 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 67.03 3kkk h THR 157 Cb 0.08 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 66.80 3kkk h THR 157 CO -0.12 0.14 0.52 0.58 0.37 0.00 0.00 175.52 177.01 3kkk h VAL 158 N 0.74 1.06 -0.07 3.16 2.07 -0.76 -2.21 116.25 120.23 3kkk h VAL 158 Ca 0.20 -0.33 -0.18 0.00 0.82 0.00 0.00 66.70 67.21 3kkk h VAL 158 Cb -0.07 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 3kkk h VAL 158 CO -0.04 0.17 -0.73 -0.33 0.02 0.00 0.00 177.57 176.66 3kkk h GLU 159 N 0.96 0.38 0.00 1.57 5.08 -0.49 -2.90 114.58 119.18 3kkk h GLU 159 Ca 0.36 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3kkk h GLU 159 Cb 0.13 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3kkk h GLU 159 CO -0.16 0.96 -0.24 0.07 -1.00 0.00 0.00 179.01 178.64 3kkk h ARG 160 N 0.26 0.00 0.01 2.33 0.11 -1.13 -3.26 114.38 112.69 3kkk h ARG 160 Ca -0.03 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.80 3kkk h ARG 160 Cb 1.30 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.40 3kkk h ARG 160 CO 0.12 0.24 -1.01 0.28 0.10 0.00 0.00 179.97 179.70 3kkk h VAL 161 N 0.00 1.33 -0.79 0.08 2.07 -1.39 -3.37 116.25 114.17 3kkk h VAL 161 Ca -0.00 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 65.26 3kkk h VAL 161 Cb 1.12 2.41 -0.07 0.00 -1.52 0.00 0.00 31.29 33.23 3kkk h VAL 161 CO 0.03 0.71 0.45 0.25 0.02 0.00 0.00 177.57 179.03 3kkk h LEU 162 N 0.32 0.64 -1.05 2.57 5.85 -1.55 -1.30 115.31 120.79 3kkk h LEU 162 Ca -0.11 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3kkk h LEU 162 Cb 1.66 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.55 3kkk h LEU 162 CO 0.19 0.38 0.64 -0.65 -0.34 0.00 0.00 178.44 178.65 3kkk h PRO 163 N 0.77 1.15 -0.11 5.25 0.11 -1.73 -1.54 132.00 135.89 3kkk h PRO 163 Ca 0.38 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 3kkk h PRO 163 Cb 0.33 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3kkk h PRO 163 CO -0.24 0.76 -0.41 0.35 -0.21 0.00 0.00 178.00 178.26 3kkk h PHE 164 N 1.19 0.29 0.34 0.65 3.57 -1.45 0.26 116.94 121.80 3kkk h PHE 164 Ca 0.41 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 3kkk h PHE 164 Cb 0.09 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3kkk h PHE 164 CO -0.00 0.63 -0.16 2.35 -2.23 0.00 0.00 178.31 178.89 3kkk h TRP 165 N 0.21 -0.43 -0.33 0.41 2.91 -0.89 -1.68 115.95 116.16 3kkk h TRP 165 Ca 0.02 -0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.92 3kkk h TRP 165 Cb 0.82 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.59 3kkk h TRP 165 CO 0.01 -0.21 -0.26 0.74 -1.03 0.00 0.00 178.44 177.70 3kkk h PHE 166 N -0.55 0.74 0.06 2.65 0.04 -1.06 0.13 116.94 118.96 3kkk h PHE 166 Ca -0.05 -0.17 -0.28 0.00 2.80 0.00 0.00 57.97 60.27 3kkk h PHE 166 Cb 0.41 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 3kkk h PHE 166 CO -0.03 0.85 -1.44 -0.44 -0.60 0.00 0.00 178.31 176.65 3kkk h ASP 167 N 0.57 0.21 0.00 2.17 3.32 -1.01 -3.40 116.42 118.28 3kkk h ASP 167 Ca 0.08 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3kkk h ASP 167 Cb 0.74 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3kkk h ASP 167 CO 0.06 1.25 -0.67 1.41 -1.72 0.00 0.00 179.24 179.56 3kkk n HIS 168 N -3.34 -0.03 0.04 4.55 8.25 -0.67 -4.76 115.22 119.26 3kkk n HIS 168 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 3kkk n HIS 168 Cb 1.02 0.15 -0.08 0.00 1.12 0.00 0.00 29.99 32.20 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 0.98 -0.59 1.59 2.04 -1.31 -3.06 117.51 117.18 3kkk h ILE 169 Ca 0.00 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3kkk h ILE 169 Cb 0.67 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 3kkk h ILE 169 CO 0.00 0.25 0.38 0.00 0.00 0.00 0.00 178.15 178.78 3kkk h ALA 170 N -0.13 0.74 -0.92 1.87 0.00 -1.00 -1.88 119.26 117.95 3kkk h ALA 170 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kkk h ALA 170 Cb 0.54 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3kkk h ALA 170 CO 0.03 0.19 0.60 -1.35 0.00 0.00 0.00 179.25 178.72 3kkk h PRO 171 N 0.79 1.09 -0.74 0.00 0.11 -1.77 -0.90 132.00 130.58 3kkk h PRO 171 Ca 0.21 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3kkk h PRO 171 Cb -0.07 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 30.75 3kkk h PRO 171 CO -0.04 0.72 0.47 -0.44 -0.21 0.00 0.00 178.00 178.50 3kkk h ASP 172 N 1.13 0.87 -0.53 -2.05 5.19 -1.30 -0.92 116.42 118.81 3kkk h ASP 172 Ca 0.37 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 3kkk h ASP 172 Cb 0.06 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 3kkk h ASP 172 CO -0.12 0.65 0.21 0.40 -3.12 0.00 0.00 179.24 177.26 3kkk h ILE 173 N 1.01 1.22 0.00 0.35 2.04 -0.85 -0.83 117.51 120.45 3kkk h ILE 173 Ca 0.27 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3kkk h ILE 173 Cb -0.08 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3kkk h ILE 173 CO -0.05 0.26 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 3kkk h LEU 174 N 0.72 0.00 -2.26 1.44 3.38 -0.91 -1.61 115.31 116.07 3kkk h LEU 174 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kkk h LEU 174 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kkk h LEU 174 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 3kkk n ALA 175 N -1.93 2.98 -2.26 1.53 0.00 -0.37 -4.92 120.51 115.54 3kkk n ALA 175 Ca 0.01 -1.06 -0.17 0.00 0.00 0.00 0.00 53.44 52.22 3kkk n ALA 175 Cb 0.27 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 0.61 -5.10 -4.79 0.00 5.15 -0.60 -5.01 115.26 105.51 3kkk n ASN 176 Ca 0.17 0.02 -0.38 0.00 -0.60 0.00 0.00 54.58 53.79 3kkk n ASN 176 Cb 0.66 -4.18 -0.06 0.00 -0.53 0.00 0.00 39.78 35.67 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 -4.75 4.41 -0.47 1.20 1.02 -0.36 -5.03 119.74 115.77 3kkk s LYS 177 Ca 0.00 1.00 -0.21 0.00 0.02 0.00 0.00 55.97 56.78 3kkk s LYS 177 Cb 0.00 -3.14 0.03 0.00 -0.52 0.00 0.00 37.83 34.20 3kkk s LYS 177 CO 0.00 0.53 0.72 0.15 -0.92 0.00 0.00 175.35 175.82 3kkk s LYS 178 N -1.39 3.29 -0.11 1.68 1.02 -1.26 -4.36 119.74 118.61 3kkk s LYS 178 Ca 0.37 -0.38 -0.05 0.00 0.02 0.00 0.00 55.97 55.92 3kkk s LYS 178 Cb -0.21 -3.99 -0.04 0.00 -0.52 0.00 0.00 37.83 33.08 3kkk s LYS 178 CO 0.23 -1.14 0.09 0.08 -0.92 0.00 0.00 175.35 173.70 3kkk s VAL 179 N 3.06 5.11 -0.10 3.17 1.01 -1.26 -0.20 120.40 131.18 3kkk s VAL 179 Ca 0.24 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.31 3kkk s VAL 179 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 3kkk s VAL 179 CO 0.19 0.61 -0.19 -0.32 0.00 0.00 0.00 175.10 175.39 3kkk s MET 180 N -0.93 3.04 -0.31 2.72 1.75 -0.88 -2.06 119.30 122.63 3kkk s MET 180 Ca 0.14 -0.78 -0.08 0.00 -1.25 0.00 0.00 55.69 53.71 3kkk s MET 180 Cb -0.12 -2.42 0.00 0.00 2.84 0.00 0.00 34.83 35.13 3kkk s MET 180 CO 0.03 0.28 0.12 0.08 -0.65 0.00 0.00 175.02 174.88 3kkk s VAL 181 N 0.14 4.33 -0.37 10.11 1.01 0.07 -0.77 120.40 134.92 3kkk s VAL 181 Ca -0.10 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 3kkk s VAL 181 Cb -0.16 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.04 3kkk s VAL 181 CO 0.06 0.06 0.17 0.00 0.00 0.00 0.00 175.10 175.38 3kkk s ALA 182 N 1.56 3.16 0.00 5.51 0.00 0.54 -1.16 121.76 131.38 3kkk s ALA 182 Ca 0.04 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.17 3kkk s ALA 182 Cb -0.17 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.51 3kkk s ALA 182 CO 0.05 -1.42 0.00 0.00 0.00 0.00 0.00 175.76 174.39 3kkk n ALA 183 N 4.88 0.00 -2.44 0.00 0.00 -0.23 -3.85 120.51 118.88 3kkk n ALA 183 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 3kkk n ALA 183 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 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 0.94 2.16 0.18 0.00 3.76 -1.26 -2.21 115.29 118.85 3kkk s HIS 184 Ca 0.00 -0.39 -0.23 0.00 -0.15 0.00 0.00 55.06 54.29 3kkk s HIS 184 Cb 0.00 -1.01 0.09 0.00 1.11 0.00 0.00 32.58 32.77 3kkk s HIS 184 CO 0.00 0.54 1.58 0.78 -0.85 0.00 0.00 174.74 176.79 3kkk h GLY 185 N 2.79 -0.26 1.70 -2.22 0.00 -1.93 -0.09 103.07 103.07 3kkk h GLY 185 Ca -0.42 0.48 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 3kkk h GLY 185 CO 0.54 -0.19 -0.59 3.43 0.00 0.00 0.00 176.54 179.73 3kkk h ASN 186 N -0.20 0.34 -0.21 0.19 2.35 -1.97 0.12 115.58 116.21 3kkk h ASN 186 Ca 0.21 -0.19 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 3kkk h ASN 186 Cb 0.56 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3kkk h ASN 186 CO -0.67 0.86 -0.63 0.77 -1.65 0.00 0.00 177.43 176.11 3kkk h SER 187 N 0.23 0.94 -0.51 5.81 4.64 -1.71 -2.28 113.55 120.67 3kkk h SER 187 Ca -0.00 -0.54 -0.06 0.00 -0.47 0.00 0.00 61.79 60.71 3kkk h SER 187 Cb 1.10 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 3kkk h SER 187 CO 0.10 1.34 0.12 -0.07 -0.87 0.00 0.00 176.83 177.44 3kkk h LEU 188 N 0.61 0.82 -1.78 5.97 3.38 -0.92 -2.30 115.31 121.09 3kkk h LEU 188 Ca -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3kkk h LEU 188 Cb 1.25 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3kkk h LEU 188 CO 0.14 0.81 -0.08 0.03 0.09 0.00 0.00 178.44 179.43 3kkk h ARG 189 N 0.83 0.04 -0.43 1.13 3.08 -0.83 -0.44 114.38 117.78 3kkk h ARG 189 Ca 0.18 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 3kkk h ARG 189 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3kkk h ARG 189 CO 0.00 0.13 -0.22 0.78 -1.07 0.00 0.00 179.97 179.59 3kkk h GLY 190 N 0.32 0.93 0.90 0.04 0.00 -0.86 -0.65 103.07 103.74 3kkk h GLY 190 Ca 0.01 -0.80 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 3kkk h GLY 190 CO 0.01 0.73 -0.36 1.41 0.00 0.00 0.00 176.54 178.34 3kkk h LEU 191 N 0.74 0.64 -0.74 3.11 3.38 -1.00 -3.15 115.31 118.30 3kkk h LEU 191 Ca 0.10 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 3kkk h LEU 191 Cb 0.76 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3kkk h LEU 191 CO 0.06 1.06 0.10 0.58 0.09 0.00 0.00 178.44 180.34 3kkk h VAL 192 N 0.24 1.26 -0.58 1.22 2.07 -1.09 -0.87 116.25 118.49 3kkk h VAL 192 Ca 0.01 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.59 3kkk h VAL 192 Cb 0.95 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 3kkk h VAL 192 CO 0.08 0.38 0.22 0.50 0.02 0.00 0.00 177.57 178.78 3kkk h LYS 193 N 1.00 0.40 -0.23 1.57 3.64 -1.17 -0.52 116.57 121.26 3kkk h LYS 193 Ca 0.20 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3kkk h LYS 193 Cb 0.43 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3kkk h LYS 193 CO 0.01 0.27 -0.12 1.25 -2.27 0.00 0.00 179.45 178.59 3kkk h HIS 194 N 0.41 0.57 0.25 1.91 2.76 -1.45 -0.05 115.15 119.55 3kkk h HIS 194 Ca 0.29 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3kkk h HIS 194 Cb 0.33 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3kkk h HIS 194 CO -0.16 0.77 -0.12 -0.07 -1.30 0.00 0.00 177.93 177.04 3kkk h LEU 195 N 0.20 -0.30 -1.49 0.26 3.38 -0.67 -2.91 115.31 113.78 3kkk h LEU 195 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kkk h LEU 195 Cb 0.63 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kkk h LEU 195 CO 0.04 -0.21 0.00 0.47 0.09 0.00 0.00 178.44 178.83 3kkk n ASP 196 N -5.24 2.22 -3.78 -0.43 8.00 -0.25 -4.49 116.55 112.58 3kkk n ASP 196 Ca -0.09 -1.83 -0.23 0.00 0.71 0.00 0.00 54.79 53.34 3kkk n ASP 196 Cb 0.16 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.69 -1.19 -4.78 -2.24 5.15 -0.52 -4.92 115.26 107.44 3kkk n ASN 197 Ca 0.17 -0.90 -0.37 0.00 -0.60 0.00 0.00 54.58 52.88 3kkk n ASN 197 Cb 0.40 -3.68 -0.04 0.00 -0.53 0.00 0.00 39.78 35.93 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 -6.74 4.19 0.94 1.20 1.43 -0.15 -5.03 118.68 114.52 3kkk s LEU 198 Ca 0.04 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.05 3kkk s LEU 198 Cb -0.01 -4.13 0.15 0.00 0.03 0.00 0.00 46.19 42.23 3kkk s LEU 198 CO 0.84 -0.43 1.12 -0.94 0.23 0.00 0.00 176.35 177.17 3kkk s SER 199 N -1.51 3.24 0.20 2.29 1.04 -1.26 -4.86 113.70 112.83 3kkk s SER 199 Ca 0.56 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.95 3kkk s SER 199 Cb -0.22 -1.68 0.17 0.00 0.10 0.00 0.00 66.02 64.39 3kkk s SER 199 CO 0.28 -2.73 1.85 -0.33 0.98 0.00 0.00 173.24 173.29 3kkk h GLU 200 N -1.62 0.82 -0.27 4.02 5.08 -2.00 -2.12 114.58 118.50 3kkk h GLU 200 Ca -0.52 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.83 3kkk h GLU 200 Cb 1.33 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 3kkk h GLU 200 CO 0.60 0.54 0.07 0.00 -1.00 0.00 0.00 179.01 179.23 3kkk h ALA 201 N 1.29 0.29 -0.37 3.43 0.00 -2.00 -2.32 119.26 119.57 3kkk h ALA 201 Ca 0.27 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3kkk h ALA 201 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kkk h ALA 201 CO -0.10 -0.34 -0.17 -0.44 0.00 0.00 0.00 179.25 178.20 3kkk h ASP 202 N 0.18 0.68 0.31 0.00 3.32 -1.87 -2.68 116.42 116.36 3kkk h ASP 202 Ca 0.12 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3kkk h ASP 202 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3kkk h ASP 202 CO -0.14 0.86 -0.48 1.62 -1.72 0.00 0.00 179.24 179.37 3kkk h VAL 203 N 0.61 1.34 -0.29 -1.35 3.04 -1.24 -2.21 116.25 116.15 3kkk h VAL 203 Ca 0.10 -1.69 -0.10 0.00 -1.01 0.00 0.00 66.70 64.00 3kkk h VAL 203 Cb 0.64 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.72 3kkk h VAL 203 CO 0.04 0.50 -0.23 -0.07 -1.01 0.00 0.00 177.57 176.80 3kkk h LEU 204 N 0.17 0.55 -0.12 3.16 3.38 -1.19 -3.01 115.31 118.24 3kkk h LEU 204 Ca 0.01 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3kkk h LEU 204 Cb 0.92 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3kkk h LEU 204 CO 0.07 0.78 -0.47 -0.33 0.09 0.00 0.00 178.44 178.59 3kkk h GLU 205 N 0.49 0.00 -6.48 1.13 5.08 -1.35 -3.45 114.58 110.00 3kkk h GLU 205 Ca 0.07 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.91 3kkk h GLU 205 Cb 0.66 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.95 3kkk h GLU 205 CO 0.05 0.47 1.15 -1.17 -1.00 0.00 0.00 179.01 178.50 3kkk s LEU 206 N -6.51 4.41 -0.40 1.33 2.96 -0.84 -4.97 118.68 114.65 3kkk s LEU 206 Ca 0.04 2.75 0.02 0.00 -0.22 0.00 0.00 54.13 56.72 3kkk s LEU 206 Cb 0.08 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.33 3kkk s LEU 206 CO 0.73 -1.02 0.17 0.20 -1.32 0.00 0.00 176.35 175.11 3kkk s ASN 207 N 3.15 4.11 -0.12 3.68 0.02 -1.26 -5.01 114.94 119.50 3kkk s ASN 207 Ca 0.83 -2.35 -0.29 0.00 -1.02 0.00 0.00 52.86 50.02 3kkk s ASN 207 Cb -0.45 -1.24 -0.02 0.00 0.02 0.00 0.00 41.25 39.56 3kkk s ASN 207 CO 0.38 -0.32 1.29 -0.63 0.02 0.00 0.00 177.10 177.83 3kkk s ILE 208 N 0.66 4.19 0.74 0.60 1.01 -1.26 -5.01 121.20 122.13 3kkk s ILE 208 Ca 0.14 1.46 -0.13 0.00 0.00 0.00 0.00 60.65 62.13 3kkk s ILE 208 Cb -0.22 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.35 3kkk s ILE 208 CO -0.08 -0.09 1.13 -2.16 0.00 0.00 0.00 174.94 173.74 3kkk s PRO 209 N 3.18 2.25 0.13 2.79 0.04 -1.26 -4.97 135.00 137.15 3kkk s PRO 209 Ca 0.57 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 3kkk s PRO 209 Cb -0.24 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3kkk s PRO 209 CO 0.18 -1.69 0.81 0.95 0.04 0.00 0.00 177.00 177.29 3kkk s THR 210 N -2.47 4.47 -1.43 1.26 -4.23 -1.26 -4.18 115.64 107.80 3kkk s THR 210 Ca 0.67 1.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.93 3kkk s THR 210 Cb -0.22 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.46 3kkk s THR 210 CO 0.49 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.63 3kkk n GLY 211 N 1.91 0.47 3.06 3.99 0.00 0.37 -4.91 105.19 110.08 3kkk n GLY 211 Ca -0.03 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.68 1.99 0.24 1.61 1.01 -1.26 -4.50 120.40 116.80 3kkk s VAL 212 Ca 0.00 -1.25 -0.31 0.00 0.00 0.00 0.00 61.98 60.42 3kkk s VAL 212 Cb 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 36.38 34.26 3kkk s VAL 212 CO 0.00 0.20 1.53 -2.65 0.00 0.00 0.00 175.10 174.18 3kkk n PRO 213 N 4.56 2.35 -3.81 2.72 -0.02 -1.26 -4.65 135.00 134.89 3kkk n PRO 213 Ca -0.16 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 3kkk n PRO 213 Cb 0.46 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.23 3kkk n PRO 213 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kkk s LEU 214 N 0.16 4.20 -0.23 2.45 2.96 0.94 -2.29 118.68 126.88 3kkk s LEU 214 Ca 0.69 -1.24 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 3kkk s LEU 214 Cb -0.59 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 3kkk s LEU 214 CO 0.45 -0.31 0.25 -0.69 -1.32 0.00 0.00 176.35 174.73 3kkk s VAL 215 N 1.33 5.30 -0.17 1.68 1.01 0.09 -0.48 120.40 129.15 3kkk s VAL 215 Ca -0.03 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 3kkk s VAL 215 Cb -0.20 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3kkk s VAL 215 CO 0.01 0.31 -0.06 -0.31 0.00 0.00 0.00 175.10 175.05 3kkk s TYR 216 N 1.16 2.95 -0.28 5.22 2.02 0.49 -1.50 117.35 127.41 3kkk s TYR 216 Ca 0.12 -0.57 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 3kkk s TYR 216 Cb -0.14 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 3kkk s TYR 216 CO 0.06 -0.23 0.23 -1.21 -1.57 0.00 0.00 175.55 172.83 3kkk s GLU 217 N 0.72 3.97 0.08 -0.62 2.02 -0.23 -1.01 118.70 123.62 3kkk s GLU 217 Ca -0.03 -0.23 0.08 0.00 0.02 0.00 0.00 54.97 54.81 3kkk s GLU 217 Cb -0.15 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 3kkk s GLU 217 CO 0.02 -0.20 -0.17 -0.51 0.02 0.00 0.00 175.26 174.42 3kkk s LEU 218 N 1.83 2.68 0.00 1.80 1.43 -0.01 0.78 118.68 127.19 3kkk s LEU 218 Ca 0.09 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3kkk s LEU 218 Cb -0.16 -1.55 0.09 0.00 0.03 0.00 0.00 46.19 44.60 3kkk s LEU 218 CO 0.11 0.22 0.58 -0.90 0.23 0.00 0.00 176.35 176.58 3kkk n ASP 219 N 1.18 0.19 0.27 2.29 5.68 0.31 -0.72 116.55 125.75 3kkk n ASP 219 Ca -0.16 -1.30 0.17 0.00 -0.50 0.00 0.00 54.79 53.00 3kkk n ASP 219 Cb 0.52 -0.43 0.92 0.00 -1.14 0.00 0.00 41.12 41.00 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 -0.68 0.11 4.11 -1.88 0.13 114.58 116.37 3kkk h GLU 220 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3kkk h GLU 220 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3kkk h GLU 220 CO 0.15 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.32 3kkk n ASN 221 N -3.70 4.34 -1.27 3.06 3.02 -1.26 -4.94 115.26 114.50 3kkk n ASN 221 Ca -0.01 -2.27 -0.16 0.00 -0.03 0.00 0.00 54.58 52.11 3kkk n ASN 221 Cb 0.17 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 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 1.30 -1.21 -4.71 3.41 4.77 0.03 -5.00 117.00 115.59 3kkk n LEU 222 Ca 0.25 0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 56.16 3kkk n LEU 222 Cb 0.77 -2.30 -0.03 0.00 -2.33 0.00 0.00 43.42 39.53 3kkk n LEU 222 CO 0.21 -0.76 0.61 -0.75 -1.33 0.00 0.00 177.39 175.37 3kkk s LYS 223 N -3.49 4.53 0.28 3.23 2.20 -1.26 -4.75 119.74 120.48 3kkk s LYS 223 Ca 0.00 1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 56.59 3kkk s LYS 223 Cb 0.00 -3.46 -0.12 0.00 -1.51 0.00 0.00 37.83 32.74 3kkk s LYS 223 CO 0.00 -0.03 1.54 -2.30 -0.36 0.00 0.00 175.35 174.20 3kkk n PRO 224 N 3.90 2.53 -0.09 4.03 -0.02 -1.26 -0.53 135.00 143.56 3kkk n PRO 224 Ca 0.04 0.90 -0.23 0.00 -2.02 0.00 0.00 63.50 62.19 3kkk n PRO 224 Cb 0.51 -2.64 -0.12 0.00 -0.02 0.00 0.00 33.50 31.23 3kkk n PRO 224 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kkk n ILE 225 N 1.99 1.58 -3.79 4.25 5.41 0.23 -4.83 119.36 124.21 3kkk n ILE 225 Ca 0.09 -0.19 -0.09 0.00 1.00 0.00 0.00 62.75 63.56 3kkk n ILE 225 Cb 0.35 -1.96 -0.03 0.00 -0.71 0.00 0.00 39.64 37.29 3kkk n ILE 225 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3kkk s LYS 226 N -2.42 1.49 0.02 0.38 -2.85 -1.15 -5.03 119.74 110.19 3kkk s LYS 226 Ca -0.29 -0.93 0.01 0.00 -1.00 0.00 0.00 55.97 53.75 3kkk s LYS 226 Cb 0.07 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.36 3kkk s LYS 226 CO 0.61 -0.65 -0.04 -3.38 0.10 0.00 0.00 175.35 172.00 3kkk s HIS 227 N -3.90 0.34 0.16 1.78 -3.43 -1.26 -1.07 115.29 107.91 3kkk s HIS 227 Ca 0.11 -0.45 -0.17 0.00 -0.80 0.00 0.00 55.06 53.75 3kkk s HIS 227 Cb -0.02 -0.22 0.03 0.00 -1.43 0.00 0.00 32.58 30.94 3kkk s HIS 227 CO 0.01 -0.14 0.47 1.52 -2.00 0.00 0.00 174.74 174.60 3kkk s TYR 228 N -1.24 -0.17 -0.04 0.38 1.13 -0.56 -5.00 117.35 111.84 3kkk s TYR 228 Ca -0.12 -0.15 -0.03 0.00 -1.41 0.00 0.00 57.07 55.36 3kkk s TYR 228 Cb -0.09 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 3kkk s TYR 228 CO -0.01 -0.81 0.14 0.71 -2.51 0.00 0.00 175.55 173.08 3kkk s TYR 229 N -3.84 3.50 -1.08 -3.49 2.02 -1.26 -0.74 117.35 112.46 3kkk s TYR 229 Ca 0.06 0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.98 3kkk s TYR 229 Cb 0.00 -1.84 0.16 0.00 -0.40 0.00 0.00 41.96 39.89 3kkk s TYR 229 CO -0.08 0.65 1.27 -0.51 -1.57 0.00 0.00 175.55 175.31 3kkk s LEU 230 N -1.60 5.20 0.00 -1.29 1.43 -0.97 -4.99 118.68 116.46 3kkk s LEU 230 Ca 0.22 -2.67 0.00 0.00 -1.03 0.00 0.00 54.13 50.66 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 0.13 -0.83 0.00 0.18 0.23 0.00 0.00 176.35 176.06