#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ken s ILE 19 N 0.00 3.96 0.09 -1.44 -4.36 -0.64 -4.82 121.20 113.99 3ken s ILE 19 Ca 0.00 1.84 -0.30 0.00 -0.26 0.00 0.00 60.65 61.94 3ken s ILE 19 Cb 0.00 -4.12 -0.05 0.00 1.25 0.00 0.00 42.46 39.53 3ken s ILE 19 CO 0.00 0.34 0.95 -1.58 0.24 0.00 0.00 174.94 174.89 3ken s GLN 20 N -1.56 4.67 -0.06 0.37 0.74 -0.54 -4.65 119.66 118.62 3ken s GLN 20 Ca 0.45 1.42 0.02 0.00 0.05 0.00 0.00 55.36 57.30 3ken s GLN 20 Cb -0.25 -3.39 0.02 0.00 1.10 0.00 0.00 33.01 30.49 3ken s GLN 20 CO 0.31 0.18 -0.09 0.08 -0.55 0.00 0.00 175.29 175.22 3ken s VAL 21 N 0.12 0.94 0.18 1.34 1.01 -1.26 0.06 120.40 122.80 3ken s VAL 21 Ca 0.47 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.16 3ken s VAL 21 Cb -0.23 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3ken s VAL 21 CO 0.29 0.32 -0.11 0.68 0.00 0.00 0.00 175.10 176.28 3ken s VAL 22 N 0.85 1.40 -0.04 2.92 -7.23 0.74 -1.92 120.40 117.12 3ken s VAL 22 Ca -0.11 -2.12 0.06 0.00 -1.81 0.00 0.00 61.98 57.99 3ken s VAL 22 Cb -0.15 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 3ken s VAL 22 CO 0.01 -0.66 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.23 3ken s VAL 23 N -3.18 1.81 -0.11 1.32 1.01 -0.75 0.06 120.40 120.55 3ken s VAL 23 Ca 0.20 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3ken s VAL 23 Cb 0.01 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.89 3ken s VAL 23 CO 0.04 0.51 -0.09 -0.60 0.00 0.00 0.00 175.10 174.96 3ken s ARG 24 N -0.27 1.62 -0.20 2.72 3.52 0.11 -1.00 118.95 125.44 3ken s ARG 24 Ca 0.01 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.23 3ken s ARG 24 Cb -0.11 -1.62 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 3ken s ARG 24 CO 0.02 -0.23 0.09 0.00 -0.81 0.00 0.00 175.30 174.36 3ken s ARG 26 N 0.66 3.60 0.70 0.00 1.70 -0.91 -2.95 118.95 121.75 3ken s ARG 26 Ca 0.05 0.55 -0.11 0.00 -0.47 0.00 0.00 55.73 55.75 3ken s ARG 26 Cb -0.13 -2.20 0.02 0.00 -0.57 0.00 0.00 34.95 32.07 3ken s ARG 26 CO 0.01 -0.41 1.09 -1.25 -1.08 0.00 0.00 175.30 173.66 3ken s PRO 27 N -4.94 2.80 0.61 3.89 0.04 -1.25 -4.21 135.00 131.94 3ken s PRO 27 Ca 0.52 0.40 -0.19 0.00 0.04 0.00 0.00 61.00 61.77 3ken s PRO 27 Cb -0.11 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3ken s PRO 27 CO 0.49 -1.05 1.30 -0.06 0.04 0.00 0.00 177.00 177.72 3ken s PHE 28 N -3.35 2.18 0.43 0.56 0.40 -1.26 -4.91 117.98 112.03 3ken s PHE 28 Ca 0.58 1.46 0.08 0.00 -0.60 0.00 0.00 56.93 58.45 3ken s PHE 28 Cb -0.11 -3.69 0.01 0.00 0.51 0.00 0.00 43.02 39.73 3ken s PHE 28 CO 0.51 -2.81 0.53 0.54 0.70 0.00 0.00 175.22 174.68 3ken s ASN 29 N -1.30 5.44 0.44 1.36 2.20 -1.26 -4.98 114.94 116.83 3ken s ASN 29 Ca 0.79 -0.55 0.10 0.00 -0.94 0.00 0.00 52.86 52.26 3ken s ASN 29 Cb -0.37 -0.56 0.98 0.00 -2.00 0.00 0.00 41.25 39.30 3ken s ASN 29 CO 0.41 -0.77 2.08 -0.07 -2.94 0.00 0.00 177.10 175.80 3ken h LEU 30 N 0.72 0.30 -0.31 3.54 -0.00 -2.00 -2.48 115.31 115.10 3ken h LEU 30 Ca -0.40 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.43 3ken h LEU 30 Cb 1.28 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 3ken h LEU 30 CO 0.48 0.24 0.01 0.00 -0.00 0.00 0.00 178.44 179.18 3ken h ALA 31 N 1.82 0.41 -0.68 1.53 0.00 -1.99 -1.48 119.26 118.87 3ken h ALA 31 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ken h ALA 31 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3ken h ALA 31 CO -0.02 0.15 0.43 0.93 0.00 0.00 0.00 179.25 180.75 3ken h GLU 32 N 0.34 0.91 -0.69 0.00 5.08 -1.87 -1.70 114.58 116.64 3ken h GLU 32 Ca 0.09 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3ken h GLU 32 Cb 0.41 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3ken h GLU 32 CO 0.01 0.62 0.19 0.00 -1.00 0.00 0.00 179.01 178.83 3ken h ARG 33 N 0.92 1.07 -0.36 2.33 3.08 -1.35 0.05 114.38 120.12 3ken h ARG 33 Ca 0.25 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ken h ARG 33 Cb -0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3ken h ARG 33 CO -0.05 0.93 0.22 0.87 -1.07 0.00 0.00 179.97 180.87 3ken h LYS 34 N 1.03 0.47 -0.35 0.04 1.79 -0.58 -0.33 116.57 118.64 3ken h LYS 34 Ca 0.22 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3ken h LYS 34 Cb 0.32 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3ken h LYS 34 CO -0.00 0.33 0.00 0.00 -1.08 0.00 0.00 179.45 178.69 3ken n ALA 35 N -2.48 2.45 -3.34 3.86 0.00 -0.70 -4.92 120.51 115.37 3ken n ALA 35 Ca 0.02 -0.67 -0.23 0.00 0.00 0.00 0.00 53.44 52.56 3ken n ALA 35 Cb 0.07 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 18.59 3ken n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ken n SER 36 N 0.62 -6.25 -4.69 0.00 7.64 -0.13 -4.91 113.62 105.90 3ken n SER 36 Ca 0.14 -0.43 -0.44 0.00 1.01 0.00 0.00 58.87 59.15 3ken n SER 36 Cb 0.34 -4.97 -0.03 0.00 -1.01 0.00 0.00 64.21 58.54 3ken n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ken n ALA 37 N -4.32 1.58 -2.65 -0.43 0.00 -0.07 -5.00 120.51 109.61 3ken n ALA 37 Ca -0.05 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.53 3ken n ALA 37 Cb 0.59 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 3ken n ALA 37 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3ken s HIS 38 N 0.10 3.48 -0.03 0.00 3.76 -1.26 -4.90 115.29 116.45 3ken s HIS 38 Ca 0.68 0.45 -0.14 0.00 -0.15 0.00 0.00 55.06 55.91 3ken s HIS 38 Cb -0.61 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.07 3ken s HIS 38 CO 0.47 0.25 0.37 0.45 -0.85 0.00 0.00 174.74 175.43 3ken s SER 39 N -3.34 6.73 -0.05 1.40 0.15 -1.26 -2.13 113.70 115.21 3ken s SER 39 Ca 0.41 0.87 0.07 0.00 0.70 0.00 0.00 55.95 58.00 3ken s SER 39 Cb -0.11 -2.22 0.11 0.00 -1.71 0.00 0.00 66.02 62.09 3ken s SER 39 CO 0.31 0.32 0.98 2.30 1.20 0.00 0.00 173.24 178.35 3ken n ILE 40 N 1.95 1.00 -4.86 6.45 -5.35 -0.34 -4.87 119.36 113.34 3ken n ILE 40 Ca -0.15 -1.14 -0.27 0.00 -0.27 0.00 0.00 62.75 60.93 3ken n ILE 40 Cb 0.53 0.30 -0.16 0.00 -1.74 0.00 0.00 39.64 38.57 3ken n ILE 40 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3ken s VAL 41 N -1.36 1.48 -0.05 7.28 1.01 -1.25 -0.62 120.40 126.87 3ken s VAL 41 Ca 0.12 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3ken s VAL 41 Cb 0.10 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3ken s VAL 41 CO 0.01 0.42 -0.10 -1.61 0.00 0.00 0.00 175.10 173.83 3ken s GLU 42 N 0.08 1.34 -0.10 2.72 0.41 -0.59 -5.00 118.70 117.57 3ken s GLU 42 Ca -0.05 -0.31 0.02 0.00 -0.41 0.00 0.00 54.97 54.22 3ken s GLU 42 Cb -0.12 -1.17 -0.02 0.00 -1.78 0.00 0.00 34.13 31.04 3ken s GLU 42 CO 0.03 0.01 -0.15 0.00 -0.49 0.00 0.00 175.26 174.65 3ken s ASP 44 N -0.03 4.40 0.24 0.00 -1.08 -0.49 -4.90 116.67 114.81 3ken s ASP 44 Ca -0.04 -2.68 -0.05 0.00 -0.52 0.00 0.00 52.55 49.26 3ken s ASP 44 Cb -0.14 -1.57 0.36 0.00 -1.46 0.00 0.00 42.92 40.11 3ken s ASP 44 CO 0.04 -0.29 1.83 1.55 0.52 0.00 0.00 175.17 178.83 3ken h PRO 45 N 6.91 0.85 0.59 4.34 0.13 -1.83 0.48 132.00 143.46 3ken h PRO 45 Ca -0.06 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 3ken h PRO 45 Cb 0.94 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3ken h PRO 45 CO 0.61 0.56 -0.33 0.28 -0.23 0.00 0.00 178.00 178.90 3ken h VAL 46 N 0.87 0.33 0.00 1.56 2.07 -1.94 -2.14 116.25 117.00 3ken h VAL 46 Ca 0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.90 3ken h VAL 46 Cb 0.26 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3ken h VAL 46 CO -0.21 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.92 3ken n ARG 47 N -5.47 0.45 -3.73 1.57 1.74 -1.13 -4.91 116.66 105.18 3ken n ARG 47 Ca -0.13 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.74 3ken n ARG 47 Cb 0.36 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.34 3ken n ARG 47 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ken n LYS 48 N -1.25 -5.31 -4.37 5.56 5.02 0.16 -4.87 118.16 113.10 3ken n LYS 48 Ca 0.14 0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 56.88 3ken n LYS 48 Cb 0.21 -5.33 -0.10 0.00 -0.02 0.00 0.00 35.03 29.79 3ken n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3ken s GLU 49 N -6.11 1.39 -0.06 1.97 2.02 -0.77 -1.60 118.70 115.55 3ken s GLU 49 Ca 0.18 -1.63 0.02 0.00 0.02 0.00 0.00 54.97 53.56 3ken s GLU 49 Cb -0.09 -1.19 0.02 0.00 0.10 0.00 0.00 34.13 32.97 3ken s GLU 49 CO 0.81 0.18 -0.10 0.08 0.02 0.00 0.00 175.26 176.24 3ken s VAL 50 N -2.94 0.97 -0.07 2.63 1.01 -0.49 -1.40 120.40 120.12 3ken s VAL 50 Ca 0.24 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3ken s VAL 50 Cb -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.46 3ken s VAL 50 CO 0.08 0.32 -0.19 -0.55 0.00 0.00 0.00 175.10 174.77 3ken s SER 51 N 0.76 2.44 -0.14 3.32 0.15 -0.34 -1.08 113.70 118.81 3ken s SER 51 Ca -0.13 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.09 3ken s SER 51 Cb -0.15 -0.94 -0.01 0.00 -1.71 0.00 0.00 66.02 63.20 3ken s SER 51 CO 0.02 0.13 -0.12 -0.69 1.20 0.00 0.00 173.24 173.79 3ken s VAL 52 N 0.28 3.06 -0.21 4.45 1.01 0.28 -1.54 120.40 127.73 3ken s VAL 52 Ca -0.12 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 3ken s VAL 52 Cb -0.15 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 3ken s VAL 52 CO 0.05 0.51 1.21 -0.60 0.00 0.00 0.00 175.10 176.27 3ken s ARG 53 N 0.55 4.17 0.00 2.72 3.52 0.21 -1.13 118.95 128.99 3ken s ARG 53 Ca -0.08 1.49 0.06 0.00 -0.13 0.00 0.00 55.73 57.07 3ken s ARG 53 Cb -0.16 -3.76 -0.01 0.00 -1.56 0.00 0.00 34.95 29.47 3ken s ARG 53 CO 0.04 -0.77 0.45 0.25 -0.81 0.00 0.00 175.30 174.46 3ken n THR 54 N 5.54 0.00 -0.56 4.11 -2.24 -1.20 -4.75 114.28 115.18 3ken n THR 54 Ca 0.14 -0.44 0.07 0.00 -2.27 0.00 0.00 64.05 61.54 3ken n THR 54 Cb 0.46 1.06 0.17 0.00 -2.10 0.00 0.00 70.33 69.92 3ken n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ken n GLY 55 N 0.73 3.51 6.00 3.38 0.00 -1.25 -5.02 105.19 112.54 3ken n GLY 55 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3ken n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ken n GLY 56 N -0.22 1.20 0.09 -0.02 0.00 -1.26 -0.70 105.19 104.29 3ken n GLY 56 Ca 0.14 0.60 -0.02 0.00 0.00 0.00 0.00 46.02 46.74 3ken n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ken n LEU 57 N 0.00 0.81 -0.05 0.99 4.77 -1.26 -4.36 117.00 117.89 3ken n LEU 57 Ca 0.00 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3ken n LEU 57 Cb 0.00 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 3ken n LEU 57 CO 0.00 0.22 0.31 0.00 -1.33 0.00 0.00 177.39 176.59 3ken h ALA 58 N 1.31 -0.02 -3.19 -1.18 0.00 -1.34 -3.44 119.26 111.39 3ken h ALA 58 Ca -0.21 -0.34 -0.58 0.00 0.00 0.00 0.00 54.91 53.78 3ken h ALA 58 Cb 1.71 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 19.11 3ken h ALA 58 CO 0.05 -0.04 -0.76 0.34 0.00 0.00 0.00 179.25 178.84 3ken s ASP 59 N -5.96 3.96 0.47 0.00 3.68 -0.61 -5.01 116.67 113.21 3ken s ASP 59 Ca -0.14 -1.57 0.31 0.00 2.13 0.00 0.00 52.55 53.28 3ken s ASP 59 Cb -0.02 -0.88 1.24 0.00 -1.45 0.00 0.00 42.92 41.81 3ken s ASP 59 CO 0.50 -0.40 1.91 0.11 0.13 0.00 0.00 175.17 177.42 3ken h LYS 60 N 8.08 0.00 0.00 4.34 1.79 -1.81 -3.21 116.57 125.76 3ken h LYS 60 Ca -0.14 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.21 3ken h LYS 60 Cb 1.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 3ken h LYS 60 CO 0.46 0.00 -1.41 -1.13 -1.08 0.00 0.00 179.45 176.29 3ken n SER 61 N -2.87 0.74 -4.67 0.86 3.41 -1.26 -4.96 113.62 104.87 3ken n SER 61 Ca 0.01 0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 3ken n SER 61 Cb 0.30 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 3ken n SER 61 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3ken n SER 62 N -2.77 2.19 -3.60 4.04 2.88 -1.21 -5.01 113.62 110.14 3ken n SER 62 Ca -0.08 1.13 -0.08 0.00 -1.33 0.00 0.00 58.87 58.51 3ken n SER 62 Cb 0.76 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.76 3ken n SER 62 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3ken s ARG 63 N -2.00 1.23 -0.15 -1.46 0.52 -1.26 -3.24 118.95 112.58 3ken s ARG 63 Ca 0.60 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 55.23 3ken s ARG 63 Cb -0.56 0.49 0.04 0.00 0.52 0.00 0.00 34.95 35.45 3ken s ARG 63 CO 0.59 -0.55 -0.02 0.15 0.02 0.00 0.00 175.30 175.49 3ken s LYS 64 N -3.50 1.03 -0.12 3.54 1.02 -0.28 -4.92 119.74 116.50 3ken s LYS 64 Ca 0.07 -0.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 3ken s LYS 64 Cb -0.02 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 3ken s LYS 64 CO -0.05 -0.45 -0.05 0.99 -0.92 0.00 0.00 175.35 174.87 3ken s THR 65 N 1.78 3.78 0.11 2.17 2.01 -1.26 -0.56 115.64 123.67 3ken s THR 65 Ca 0.02 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.67 3ken s THR 65 Cb -0.15 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3ken s THR 65 CO -0.07 0.54 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.89 3ken s TYR 66 N -0.07 1.67 -0.15 4.92 1.51 -0.24 -4.98 117.35 120.01 3ken s TYR 66 Ca 0.01 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 3ken s TYR 66 Cb -0.13 -0.90 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 3ken s TYR 66 CO 0.03 0.20 -0.08 0.99 -1.11 0.00 0.00 175.55 175.57 3ken s THR 67 N -1.39 3.44 0.36 -0.71 2.01 -1.26 -1.40 115.64 116.68 3ken s THR 67 Ca 0.07 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.59 3ken s THR 67 Cb -0.09 -2.49 -0.06 0.00 0.01 0.00 0.00 72.50 69.88 3ken s THR 67 CO 0.04 0.50 0.06 -0.36 -0.69 0.00 0.00 174.62 174.17 3ken s PHE 68 N 0.50 2.00 0.35 4.92 0.40 -0.62 -5.03 117.98 120.49 3ken s PHE 68 Ca -0.06 -0.97 0.07 0.00 -0.60 0.00 0.00 56.93 55.36 3ken s PHE 68 Cb -0.15 -1.34 0.65 0.00 0.51 0.00 0.00 43.02 42.69 3ken s PHE 68 CO 0.03 0.03 1.87 -0.44 0.70 0.00 0.00 175.22 177.41 3ken h ASP 69 N 1.99 0.36 -4.65 1.36 3.32 -1.67 -3.45 116.42 113.67 3ken h ASP 69 Ca -0.40 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 3ken h ASP 69 Cb 1.25 -0.09 -0.21 0.00 0.22 0.00 0.00 39.33 40.50 3ken h ASP 69 CO 0.69 0.51 -0.13 -0.04 -1.72 0.00 0.00 179.24 178.55 3ken s MET 70 N -4.76 0.72 -0.04 3.56 -1.94 -1.25 -4.99 119.30 110.59 3ken s MET 70 Ca -0.06 0.18 0.02 0.00 -1.71 0.00 0.00 55.69 54.11 3ken s MET 70 Cb 0.15 0.34 0.01 0.00 2.01 0.00 0.00 34.83 37.34 3ken s MET 70 CO 0.75 -0.18 -0.09 0.08 -0.01 0.00 0.00 175.02 175.58 3ken s VAL 71 N -0.80 0.81 -0.20 -6.03 1.01 -1.26 -1.82 120.40 112.11 3ken s VAL 71 Ca -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3ken s VAL 71 Cb -0.03 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.63 3ken s VAL 71 CO 0.04 0.27 -0.13 -0.36 0.00 0.00 0.00 175.10 174.92 3ken s PHE 72 N 0.55 2.60 1.01 5.22 0.08 -0.17 -4.46 117.98 122.81 3ken s PHE 72 Ca -0.09 -1.67 -0.17 0.00 0.12 0.00 0.00 56.93 55.12 3ken s PHE 72 Cb -0.13 -1.74 0.25 0.00 -0.57 0.00 0.00 43.02 40.83 3ken s PHE 72 CO 0.01 -0.77 1.04 0.41 -0.10 0.00 0.00 175.22 175.81 3ken n GLY 73 N 4.64 -2.31 0.36 4.36 0.00 -1.26 -1.83 105.19 109.16 3ken n GLY 73 Ca -0.16 -1.56 0.19 0.00 0.00 0.00 0.00 46.02 44.48 3ken n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ken h ALA 74 N -2.37 2.39 -0.01 4.61 0.00 -1.81 -1.66 119.26 120.41 3ken h ALA 74 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3ken h ALA 74 Cb 1.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ken h ALA 74 CO 0.25 -0.55 -0.15 -1.13 0.00 0.00 0.00 179.25 177.66 3ken n SER 75 N -4.34 0.69 -4.71 0.00 3.41 -1.26 -3.89 113.62 103.51 3ken n SER 75 Ca 0.08 -0.72 -0.43 0.00 -0.26 0.00 0.00 58.87 57.54 3ken n SER 75 Cb 0.53 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 3ken n SER 75 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ken n THR 76 N -0.81 0.05 -3.79 6.66 -1.04 -0.63 -5.00 114.28 109.72 3ken n THR 76 Ca 0.14 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.87 3ken n THR 76 Cb 0.30 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 66.91 3ken n THR 76 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3ken s LYS 77 N 1.02 3.48 0.25 -2.82 3.01 -1.26 -4.99 119.74 118.45 3ken s LYS 77 Ca 0.75 -0.46 -0.08 0.00 -1.01 0.00 0.00 55.97 55.18 3ken s LYS 77 Cb -0.55 -2.88 0.44 0.00 -1.01 0.00 0.00 37.83 33.82 3ken s LYS 77 CO 0.34 0.44 1.61 1.96 0.51 0.00 0.00 175.35 180.21 3ken h GLN 78 N 1.98 0.04 -0.09 1.68 1.08 -1.89 0.36 115.11 118.27 3ken h GLN 78 Ca -0.48 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.69 3ken h GLN 78 Cb 1.19 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 3ken h GLN 78 CO 0.68 0.02 -0.06 0.97 -0.95 0.00 0.00 178.83 179.50 3ken h ILE 79 N 0.04 1.10 -0.33 2.54 2.10 -1.86 -1.90 117.51 119.20 3ken h ILE 79 Ca 0.43 -0.41 -0.06 0.00 1.08 0.00 0.00 64.86 65.89 3ken h ILE 79 Cb 0.73 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.54 3ken h ILE 79 CO -0.79 0.13 -0.04 0.44 -1.08 0.00 0.00 178.15 176.80 3ken h ASP 80 N 0.12 0.61 -0.93 2.19 3.32 -0.69 -1.90 116.42 119.15 3ken h ASP 80 Ca 0.03 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 3ken h ASP 80 Cb 0.18 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3ken h ASP 80 CO 0.01 0.81 0.56 0.58 -1.72 0.00 0.00 179.24 179.48 3ken h VAL 81 N 0.41 1.25 -0.01 -1.35 2.07 -1.02 -1.77 116.25 115.83 3ken h VAL 81 Ca 0.09 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3ken h VAL 81 Cb 0.52 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3ken h VAL 81 CO 0.03 0.26 0.00 0.22 0.02 0.00 0.00 177.57 178.10 3ken h TYR 82 N 1.28 0.02 -0.24 1.57 5.03 -1.16 -0.79 116.97 122.67 3ken h TYR 82 Ca 0.33 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.64 3ken h TYR 82 Cb -0.06 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 3ken h TYR 82 CO 0.00 0.31 0.15 0.00 -1.32 0.00 0.00 178.16 177.31 3ken h ARG 83 N -0.27 0.31 -0.12 1.82 3.08 -1.20 -1.49 114.38 116.49 3ken h ARG 83 Ca 0.00 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3ken h ARG 83 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ken h ARG 83 CO 0.00 0.20 -0.36 0.77 -1.07 0.00 0.00 179.97 179.51 3ken h SER 84 N 0.32 0.53 0.00 7.04 0.02 -1.35 -3.34 113.55 116.77 3ken h SER 84 Ca 0.09 -0.60 -0.28 0.00 -0.84 0.00 0.00 61.79 60.16 3ken h SER 84 Cb -0.03 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 3ken h SER 84 CO -0.02 1.04 -1.62 0.52 -1.14 0.00 0.00 176.83 175.61 3ken n VAL 85 N -4.34 1.52 -0.03 2.27 0.31 -0.30 -4.71 118.33 113.04 3ken n VAL 85 Ca -0.07 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 3ken n VAL 85 Cb 0.52 -2.03 -0.11 0.00 -0.91 0.00 0.00 33.84 31.30 3ken n VAL 85 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3ken h VAL 86 N -1.00 1.54 -0.81 2.52 2.07 -1.38 -3.32 116.25 115.87 3ken h VAL 86 Ca -0.42 -1.80 0.13 0.00 0.82 0.00 0.00 66.70 65.43 3ken h VAL 86 Cb 1.33 2.69 -0.14 0.00 -1.52 0.00 0.00 31.29 33.64 3ken h VAL 86 CO -0.26 0.48 -0.37 0.00 0.02 0.00 0.00 177.57 177.45 3ken h PRO 88 N -0.07 0.61 -0.73 0.00 0.11 -1.79 -2.14 132.00 127.98 3ken h PRO 88 Ca 0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3ken h PRO 88 Cb 0.58 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 3ken h PRO 88 CO -0.85 0.41 0.47 0.82 -0.21 0.00 0.00 178.00 178.63 3ken h ILE 89 N 0.63 1.20 -0.16 4.15 2.04 -0.86 -1.95 117.51 122.55 3ken h ILE 89 Ca 0.23 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3ken h ILE 89 Cb 0.06 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3ken h ILE 89 CO -0.12 0.20 -0.04 0.25 0.00 0.00 0.00 178.15 178.44 3ken h LEU 90 N 1.00 0.22 -0.57 1.44 5.85 -0.11 -1.59 115.31 121.55 3ken h LEU 90 Ca 0.27 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 3ken h LEU 90 Cb -0.08 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3ken h LEU 90 CO -0.05 0.30 -0.01 0.44 -0.34 0.00 0.00 178.44 178.78 3ken h ASP 91 N 0.24 0.99 -0.68 1.25 3.32 -0.72 -1.72 116.42 119.10 3ken h ASP 91 Ca 0.05 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3ken h ASP 91 Cb 0.23 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3ken h ASP 91 CO 0.01 1.06 0.43 -0.33 -1.72 0.00 0.00 179.24 178.68 3ken h GLU 92 N 0.89 0.92 -0.16 3.56 4.39 -0.95 -0.97 114.58 122.27 3ken h GLU 92 Ca 0.16 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3ken h GLU 92 Cb 0.55 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3ken h GLU 92 CO 0.03 0.64 0.10 0.28 -1.16 0.00 0.00 179.01 178.90 3ken h VAL 93 N 0.93 1.06 0.00 3.13 2.07 -1.07 -1.59 116.25 120.78 3ken h VAL 93 Ca 0.25 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3ken h VAL 93 Cb -0.06 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3ken h VAL 93 CO -0.05 0.05 -0.07 0.40 0.02 0.00 0.00 177.57 177.92 3ken h ILE 94 N 0.19 0.69 0.00 4.57 2.04 -0.99 0.21 117.51 124.22 3ken h ILE 94 Ca 0.06 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3ken h ILE 94 Cb 0.00 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3ken h ILE 94 CO -0.01 0.07 0.00 0.23 0.00 0.00 0.00 178.15 178.44 3ken n MET 95 N -3.92 0.96 -0.03 2.37 2.81 -0.40 -4.86 117.12 114.04 3ken n MET 95 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3ken n MET 95 Cb 0.16 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 3ken n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ken n GLY 96 N 0.89 0.98 3.99 3.03 0.00 0.06 -4.95 105.19 109.19 3ken n GLY 96 Ca 0.22 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 3ken n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ken s TYR 97 N -2.00 3.05 -0.21 1.61 2.02 -0.81 -0.72 117.35 120.30 3ken s TYR 97 Ca 0.00 -0.19 -0.05 0.00 -0.37 0.00 0.00 57.07 56.45 3ken s TYR 97 Cb 0.00 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 3ken s TYR 97 CO 0.00 -0.17 0.01 -0.80 -1.57 0.00 0.00 175.55 173.02 3ken s ASN 98 N -4.23 4.84 0.12 2.29 0.01 -1.26 -1.83 114.94 114.89 3ken s ASN 98 Ca 0.48 -0.21 0.07 0.00 -0.71 0.00 0.00 52.86 52.49 3ken s ASN 98 Cb -0.10 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 3ken s ASN 98 CO 0.33 0.05 -0.18 0.00 -1.51 0.00 0.00 177.10 175.78 3ken s THR 100 N -1.58 0.51 -0.11 0.00 2.01 0.58 -0.58 115.64 116.48 3ken s THR 100 Ca 0.08 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.91 3ken s THR 100 Cb -0.08 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 71.95 3ken s THR 100 CO 0.04 0.19 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.41 3ken s ILE 101 N 0.48 1.31 0.08 1.82 1.01 0.37 -1.00 121.20 125.26 3ken s ILE 101 Ca -0.06 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.14 3ken s ILE 101 Cb -0.10 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3ken s ILE 101 CO -0.00 0.41 -0.14 0.72 0.00 0.00 0.00 174.94 175.93 3ken s PHE 102 N 1.25 1.22 -0.20 3.97 -0.12 -0.91 -0.53 117.98 122.66 3ken s PHE 102 Ca -0.02 -0.48 -0.10 0.00 -0.05 0.00 0.00 56.93 56.28 3ken s PHE 102 Cb -0.14 -0.68 -0.05 0.00 -0.63 0.00 0.00 43.02 41.52 3ken s PHE 102 CO -0.05 0.06 0.13 0.00 -0.05 0.00 0.00 175.22 175.32 3ken s ALA 103 N -1.42 3.69 -0.06 1.99 0.00 0.33 -1.29 121.76 124.99 3ken s ALA 103 Ca -0.01 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3ken s ALA 103 Cb -0.09 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 3ken s ALA 103 CO 0.02 0.17 -0.19 -0.47 0.00 0.00 0.00 175.76 175.29 3ken s TYR 104 N 0.34 1.99 0.00 0.00 6.14 -0.19 -2.79 117.35 122.83 3ken s TYR 104 Ca 0.08 -0.67 0.00 0.00 0.64 0.00 0.00 57.07 57.12 3ken s TYR 104 Cb -0.11 -1.34 0.00 0.00 0.42 0.00 0.00 41.96 40.93 3ken s TYR 104 CO -0.02 -0.25 0.00 0.41 0.64 0.00 0.00 175.55 176.33 3ken n GLY 105 N 3.32 2.03 3.77 8.97 0.00 -1.26 -1.14 105.19 120.86 3ken n GLY 105 Ca -0.19 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 3ken n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ken s GLN 106 N -2.00 3.80 0.20 1.61 0.74 -1.26 -2.06 119.66 120.70 3ken s GLN 106 Ca 0.00 2.21 -0.32 0.00 0.05 0.00 0.00 55.36 57.30 3ken s GLN 106 Cb 0.00 -2.66 -0.14 0.00 1.10 0.00 0.00 33.01 31.31 3ken s GLN 106 CO 0.00 -0.65 1.33 2.41 -0.55 0.00 0.00 175.29 177.83 3ken n THR 107 N -0.11 0.81 -0.18 -0.34 -1.04 -1.26 -1.46 114.28 110.69 3ken n THR 107 Ca 0.05 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3ken n THR 107 Cb 0.43 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 3ken n THR 107 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ken n GLY 108 N 2.22 1.04 0.00 3.41 0.00 -1.26 -4.95 105.19 105.66 3ken n GLY 108 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3ken n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ken n THR 109 N -2.00 0.00 0.00 2.61 -2.24 -0.54 -4.96 114.28 107.15 3ken n THR 109 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ken n THR 109 Cb 0.00 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3ken n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ken n GLY 110 N 1.50 1.81 0.41 3.38 0.00 -1.26 -4.26 105.19 106.77 3ken n GLY 110 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 3ken n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ken h LYS 111 N 0.07 -0.97 -0.50 1.61 1.57 -1.93 -1.55 116.57 114.87 3ken h LYS 111 Ca 0.00 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ken h LYS 111 Cb 0.00 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3ken h LYS 111 CO 0.00 -0.63 0.30 1.15 -0.57 0.00 0.00 179.45 179.71 3ken h THR 112 N -1.13 1.15 -0.93 -0.16 2.02 -1.96 -0.18 112.91 111.71 3ken h THR 112 Ca -0.10 -0.33 0.13 0.00 0.77 0.00 0.00 66.41 66.88 3ken h THR 112 Cb 0.79 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 3ken h THR 112 CO 0.17 0.15 0.59 0.15 0.37 0.00 0.00 175.52 176.95 3ken h PHE 113 N 0.67 0.94 0.17 3.16 3.57 -1.83 0.29 116.94 123.91 3ken h PHE 113 Ca 0.18 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.48 3ken h PHE 113 Cb -0.02 -0.30 0.03 0.00 2.79 0.00 0.00 35.95 38.45 3ken h PHE 113 CO -0.03 0.36 -0.99 1.15 -2.23 0.00 0.00 178.31 176.56 3ken h THR 114 N 0.81 1.45 -0.03 4.41 2.02 -0.80 -1.40 112.91 119.36 3ken h THR 114 Ca 0.46 -2.57 -0.25 0.00 0.77 0.00 0.00 66.41 64.83 3ken h THR 114 Cb 0.63 3.14 0.01 0.00 -1.74 0.00 0.00 68.15 70.19 3ken h THR 114 CO -0.23 0.74 -0.97 0.24 0.37 0.00 0.00 175.52 175.68 3ken h MET 115 N -0.22 0.65 0.00 6.66 2.86 -0.65 -2.22 114.93 122.01 3ken h MET 115 Ca -0.17 -0.66 -0.14 0.00 -2.06 0.00 0.00 59.70 56.67 3ken h MET 115 Cb 1.78 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.60 3ken h MET 115 CO 0.19 1.26 -1.50 0.39 1.06 0.00 0.00 176.91 178.31 3ken n GLU 116 N -3.84 0.21 0.00 1.72 1.02 0.94 -1.24 120.64 119.44 3ken n GLU 116 Ca -0.09 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3ken n GLU 116 Cb 0.84 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 3ken n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ken n GLY 117 N 2.88 -1.75 3.27 0.62 0.00 -0.53 0.10 105.19 109.78 3ken n GLY 117 Ca -0.16 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 3ken n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ken s GLU 118 N 0.00 1.16 -0.12 1.61 2.02 -0.26 -4.69 118.70 118.42 3ken s GLU 118 Ca 0.00 -1.43 -0.12 0.00 0.02 0.00 0.00 54.97 53.44 3ken s GLU 118 Cb 0.00 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.49 3ken s GLU 118 CO 0.00 -0.39 0.26 1.03 0.02 0.00 0.00 175.26 176.18 3ken s ARG 119 N -4.07 3.96 0.36 1.61 1.81 -1.26 -3.52 118.95 117.84 3ken s ARG 119 Ca 0.28 0.07 -0.26 0.00 -1.72 0.00 0.00 55.73 54.10 3ken s ARG 119 Cb 0.05 -3.32 -0.09 0.00 -0.45 0.00 0.00 34.95 31.14 3ken s ARG 119 CO 0.06 0.49 1.10 -1.12 -0.68 0.00 0.00 175.30 175.15 3ken s SER 120 N -0.27 6.86 0.62 0.23 0.01 -1.26 -4.99 113.70 114.91 3ken s SER 120 Ca 0.17 2.21 -0.18 0.00 1.31 0.00 0.00 55.95 59.45 3ken s SER 120 Cb -0.13 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 3ken s SER 120 CO 0.05 -0.43 1.15 -0.81 0.41 0.00 0.00 173.24 173.61 3ken n PRO 121 N 0.40 1.05 0.00 12.44 -0.04 -1.26 -4.80 135.00 142.79 3ken n PRO 121 Ca 0.03 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 3ken n PRO 121 Cb 0.47 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 3ken n PRO 121 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ken n ASN 122 N -1.34 -4.64 0.00 3.54 3.02 -1.26 -4.37 115.26 110.21 3ken n ASN 122 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 3ken n ASN 122 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3ken n ASN 122 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ken n GLU 123 N -1.50 0.00 0.00 3.52 4.71 -1.26 -4.58 120.64 121.54 3ken n GLU 123 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3ken n GLU 123 Cb 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 31.44 29.63 3ken n GLU 123 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3ken n GLU 124 N -0.32 0.00 -4.33 3.49 4.07 -1.26 -4.58 120.64 117.70 3ken n GLU 124 Ca 0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 3ken n GLU 124 Cb 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.25 3ken n GLU 124 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3ken s TYR 125 N 0.00 2.02 0.62 4.31 2.02 -1.26 -5.10 117.35 119.96 3ken s TYR 125 Ca 0.00 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.22 3ken s TYR 125 Cb 0.00 -1.10 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 3ken s TYR 125 CO 0.00 0.27 0.97 -0.08 -1.57 0.00 0.00 175.55 175.14 3ken s THR 126 N -1.13 3.86 0.45 -0.71 -1.32 -1.26 -4.82 115.64 110.71 3ken s THR 126 Ca 0.10 0.29 0.13 0.00 -1.21 0.00 0.00 61.69 61.00 3ken s THR 126 Cb -0.10 -3.56 0.22 0.00 -1.51 0.00 0.00 72.50 67.55 3ken s THR 126 CO 0.05 -0.65 2.04 4.11 -2.21 0.00 0.00 174.62 177.96 3ken h TRP 127 N -0.31 0.14 0.00 9.09 5.08 -1.97 -0.68 115.95 127.29 3ken h TRP 127 Ca -0.45 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3ken h TRP 127 Cb 1.24 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3ken h TRP 127 CO 0.52 0.19 0.00 0.93 -1.28 0.00 0.00 178.44 178.79 3ken h GLU 128 N 0.14 0.00 -0.01 0.12 5.08 -1.98 -3.23 114.58 114.70 3ken h GLU 128 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ken h GLU 128 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3ken h GLU 128 CO 0.01 0.00 -0.06 0.39 -1.00 0.00 0.00 179.01 178.35 3ken n GLU 129 N -2.81 0.90 -1.69 2.33 -0.58 -0.70 -5.01 120.64 113.08 3ken n GLU 129 Ca 0.03 -0.84 -0.44 0.00 -0.42 0.00 0.00 57.16 55.49 3ken n GLU 129 Cb 0.38 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 30.10 3ken n GLU 129 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3ken n ASP 130 N 0.20 3.80 0.08 1.62 -0.08 -0.35 -4.83 116.55 117.01 3ken n ASP 130 Ca 0.04 1.01 -0.01 0.00 -1.51 0.00 0.00 54.79 54.32 3ken n ASP 130 Cb 0.20 -1.50 0.26 0.00 2.34 0.00 0.00 41.12 42.41 3ken n ASP 130 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ken h PRO 131 N 8.07 0.29 0.00 -0.67 0.11 -1.92 -2.83 132.00 135.05 3ken h PRO 131 Ca -0.46 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3ken h PRO 131 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ken h PRO 131 CO 0.94 0.57 0.00 1.28 -0.21 0.00 0.00 178.00 180.58 3ken n LEU 132 N -4.11 0.00 -4.77 2.35 4.77 -1.26 -4.48 117.00 109.50 3ken n LEU 132 Ca -0.01 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 3ken n LEU 132 Cb 0.41 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3ken n LEU 132 CO 0.41 -0.02 1.06 0.00 -1.33 0.00 0.00 177.39 177.50 3ken s ALA 133 N -2.46 3.55 0.37 -1.18 0.00 -1.07 -1.10 121.76 119.86 3ken s ALA 133 Ca 0.30 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3ken s ALA 133 Cb 0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3ken s ALA 133 CO 0.40 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3ken n GLY 134 N 0.89 0.90 0.32 0.00 0.00 0.12 -4.76 105.19 102.65 3ken n GLY 134 Ca 0.01 -1.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 3ken n GLY 134 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ken h ILE 135 N -0.11 1.18 0.69 -0.61 2.04 -1.17 -2.70 117.51 116.84 3ken h ILE 135 Ca 0.00 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3ken h ILE 135 Cb 0.00 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.08 3ken h ILE 135 CO 0.00 0.20 -0.33 0.40 0.00 0.00 0.00 178.15 178.42 3ken h ILE 136 N 1.09 0.24 -0.66 -0.67 2.04 -1.43 0.16 117.51 118.29 3ken h ILE 136 Ca 0.31 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 66.02 3ken h ILE 136 Cb -0.08 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 3ken h ILE 136 CO -0.08 0.02 0.41 1.55 0.00 0.00 0.00 178.15 180.04 3ken h PRO 137 N -1.06 0.79 -0.78 2.37 0.13 -1.80 -1.86 132.00 129.78 3ken h PRO 137 Ca -0.09 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 3ken h PRO 137 Cb 0.74 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.65 3ken h PRO 137 CO 0.15 0.52 0.42 0.00 -0.23 0.00 0.00 178.00 178.86 3ken h ARG 138 N 0.81 1.09 -0.15 0.86 3.08 -1.45 -2.27 114.38 116.36 3ken h ARG 138 Ca 0.26 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3ken h ARG 138 Cb 0.01 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3ken h ARG 138 CO -0.10 0.81 -0.02 1.15 -1.07 0.00 0.00 179.97 180.74 3ken h THR 139 N 1.10 1.28 -0.34 2.04 2.02 -0.49 -1.82 112.91 116.69 3ken h THR 139 Ca 0.28 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3ken h THR 139 Cb 0.05 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3ken h THR 139 CO -0.04 0.28 0.18 -0.07 0.37 0.00 0.00 175.52 176.24 3ken h LEU 140 N -0.01 0.41 -0.14 2.58 3.38 -1.21 -0.09 115.31 120.23 3ken h LEU 140 Ca 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ken h LEU 140 Cb 0.44 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ken h LEU 140 CO 0.01 0.34 -0.05 -0.74 0.09 0.00 0.00 178.44 178.09 3ken h HIS 141 N 0.47 0.32 -0.69 1.13 2.76 -1.28 -3.15 115.15 114.71 3ken h HIS 141 Ca 0.12 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 3ken h HIS 141 Cb 0.02 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 3ken h HIS 141 CO 0.00 0.59 0.24 1.96 -1.30 0.00 0.00 177.93 179.42 3ken h GLN 142 N -0.04 1.06 -0.70 5.26 1.08 -0.73 -1.81 115.11 119.24 3ken h GLN 142 Ca 0.03 -0.21 0.13 0.00 -1.45 0.00 0.00 58.65 57.14 3ken h GLN 142 Cb 0.49 -0.16 -0.09 0.00 -0.05 0.00 0.00 27.48 27.68 3ken h GLN 142 CO 0.02 0.90 0.26 0.82 -0.95 0.00 0.00 178.83 179.88 3ken h ILE 143 N 1.01 0.68 -0.15 2.54 2.04 -1.03 0.53 117.51 123.13 3ken h ILE 143 Ca 0.23 -0.14 -0.19 0.00 1.00 0.00 0.00 64.86 65.75 3ken h ILE 143 Cb 0.26 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3ken h ILE 143 CO -0.01 0.08 -0.68 -0.26 0.00 0.00 0.00 178.15 177.27 3ken h PHE 144 N 0.41 0.82 0.36 1.37 0.04 -1.46 -2.24 116.94 116.25 3ken h PHE 144 Ca 0.37 -0.34 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3ken h PHE 144 Cb 0.54 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3ken h PHE 144 CO -0.18 1.12 -0.17 1.49 -0.60 0.00 0.00 178.31 179.97 3ken h GLU 145 N 0.44 -0.47 -0.37 1.51 4.81 -0.39 -1.61 114.58 118.50 3ken h GLU 145 Ca -0.02 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3ken h GLU 145 Cb 1.27 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 3ken h GLU 145 CO 0.13 -0.15 0.17 0.87 -0.73 0.00 0.00 179.01 179.30 3ken h LYS 146 N -0.87 0.34 0.00 1.92 1.57 -0.07 -2.39 116.57 117.07 3ken h LYS 146 Ca -0.05 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 3ken h LYS 146 Cb 0.54 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3ken h LYS 146 CO 0.08 0.23 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.49 3ken h LEU 147 N 0.35 0.00 0.09 2.94 3.38 -1.49 -3.35 115.31 117.23 3ken h LEU 147 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ken h LEU 147 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ken h LEU 147 CO -0.13 0.63 -0.04 0.74 0.09 0.00 0.00 178.44 179.73 3ken h THR 148 N 0.00 0.98 0.00 0.22 2.02 -1.19 -3.21 112.91 111.74 3ken h THR 148 Ca -0.01 -1.42 -0.36 0.00 0.77 0.00 0.00 66.41 65.39 3ken h THR 148 Cb 1.27 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.40 3ken h THR 148 CO 0.08 0.29 1.57 0.47 0.37 0.00 0.00 175.52 178.30 3ken n ASP 149 N -4.82 5.95 0.00 4.18 8.00 -0.91 -1.94 116.55 127.01 3ken n ASP 149 Ca -0.07 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.02 3ken n ASP 149 Cb 0.28 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3ken n ASP 149 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3ken n ASN 150 N 3.18 0.00 0.00 -2.24 2.85 -1.24 -4.93 115.26 112.88 3ken n ASN 150 Ca 0.52 -0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 3ken n ASN 150 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 3ken n ASN 150 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ken n GLY 151 N 0.00 0.39 2.05 8.20 0.00 -0.82 -5.04 105.19 109.97 3ken n GLY 151 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3ken n GLY 151 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ken n THR 152 N 0.00-11.78 -2.81 2.61 -1.04 -1.26 -4.45 114.28 95.55 3ken n THR 152 Ca 0.00 3.31 -0.41 0.00 -2.04 0.00 0.00 64.05 64.91 3ken n THR 152 Cb 0.00 -5.08 -0.03 0.00 -1.82 0.00 0.00 70.33 63.40 3ken n THR 152 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3ken s GLU 153 N -1.00 4.50 0.05 -2.82 2.02 -1.26 -4.89 118.70 115.30 3ken s GLU 153 Ca 0.00 1.25 -0.14 0.00 0.02 0.00 0.00 54.97 56.11 3ken s GLU 153 Cb 0.00 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.78 3ken s GLU 153 CO 0.00 -0.06 0.31 -0.59 0.02 0.00 0.00 175.26 174.94 3ken s PHE 154 N 1.10 -0.10 -0.02 1.61 -0.12 -1.26 -1.62 117.98 117.57 3ken s PHE 154 Ca 0.47 -0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.30 3ken s PHE 154 Cb -0.20 0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.30 3ken s PHE 154 CO 0.24 -0.52 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.31 3ken s SER 155 N -2.16 0.59 -0.09 1.98 1.04 -0.79 -5.00 113.70 109.28 3ken s SER 155 Ca -0.04 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.33 3ken s SER 155 Cb -0.00 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 3ken s SER 155 CO -0.04 0.00 -0.12 -0.69 0.98 0.00 0.00 173.24 173.36 3ken s VAL 156 N 0.35 3.17 -0.03 5.02 1.01 -1.26 -2.05 120.40 126.61 3ken s VAL 156 Ca -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3ken s VAL 156 Cb -0.07 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3ken s VAL 156 CO -0.00 0.56 -0.08 -0.75 0.00 0.00 0.00 175.10 174.82 3ken s LYS 157 N -0.25 0.99 0.16 2.72 2.20 -0.34 -0.07 119.74 125.14 3ken s LYS 157 Ca 0.02 -0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.43 3ken s LYS 157 Cb -0.13 -0.92 -0.04 0.00 -1.51 0.00 0.00 37.83 35.23 3ken s LYS 157 CO 0.03 0.06 -0.14 0.14 -0.36 0.00 0.00 175.35 175.08 3ken s VAL 158 N 0.40 1.50 0.01 4.02 -7.23 0.20 -0.51 120.40 118.79 3ken s VAL 158 Ca -0.06 -1.95 -0.13 0.00 -1.81 0.00 0.00 61.98 58.03 3ken s VAL 158 Cb -0.10 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.08 3ken s VAL 158 CO 0.01 -0.51 0.28 -0.94 -0.31 0.00 0.00 175.10 173.64 3ken s SER 159 N -2.85 -0.13 -0.21 4.85 1.04 -0.78 -1.28 113.70 114.32 3ken s SER 159 Ca 0.15 -0.06 -0.04 0.00 0.48 0.00 0.00 55.95 56.49 3ken s SER 159 Cb -0.03 0.31 0.09 0.00 0.10 0.00 0.00 66.02 66.50 3ken s SER 159 CO 0.04 -0.50 0.18 -0.22 0.98 0.00 0.00 173.24 173.73 3ken s LEU 160 N -1.61 0.08 0.28 2.42 2.96 -1.26 -1.23 118.68 120.31 3ken s LEU 160 Ca -0.10 -0.52 0.12 0.00 -0.22 0.00 0.00 54.13 53.40 3ken s LEU 160 Cb -0.04 0.14 -0.05 0.00 0.50 0.00 0.00 46.19 46.74 3ken s LEU 160 CO 0.01 -0.35 -0.16 -1.48 -1.32 0.00 0.00 176.35 173.04 3ken s LEU 161 N 2.25 2.70 0.03 -0.68 0.05 -0.76 -1.36 118.68 120.91 3ken s LEU 161 Ca 0.06 -0.96 0.03 0.00 0.05 0.00 0.00 54.13 53.31 3ken s LEU 161 Cb -0.16 -1.21 -0.02 0.00 -2.05 0.00 0.00 46.19 42.76 3ken s LEU 161 CO -0.17 0.03 -0.10 -1.61 -0.55 0.00 0.00 176.35 173.96 3ken s GLU 162 N -3.54 0.67 -0.19 1.48 2.02 -0.16 -0.56 118.70 118.41 3ken s GLU 162 Ca 0.30 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.63 3ken s GLU 162 Cb -0.05 -0.58 -0.02 0.00 0.10 0.00 0.00 34.13 33.58 3ken s GLU 162 CO 0.16 0.14 -0.05 0.42 0.02 0.00 0.00 175.26 175.95 3ken s ILE 163 N -0.88 3.50 -0.07 -1.63 1.01 0.52 -1.29 121.20 122.35 3ken s ILE 163 Ca -0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3ken s ILE 163 Cb -0.07 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.88 3ken s ILE 163 CO 0.01 0.45 0.13 -0.47 0.00 0.00 0.00 174.94 175.06 3ken s TYR 164 N 1.00 -0.09 -1.47 3.97 6.14 -0.60 -0.72 117.35 125.58 3ken s TYR 164 Ca 0.00 0.45 -0.12 0.00 0.64 0.00 0.00 57.07 58.05 3ken s TYR 164 Cb -0.15 -0.35 0.06 0.00 0.42 0.00 0.00 41.96 41.94 3ken s TYR 164 CO 0.00 -0.26 1.02 -1.71 0.64 0.00 0.00 175.55 175.24 3ken n ASN 165 N 5.32 -5.43 -1.34 4.32 5.15 -1.26 -1.29 115.26 120.73 3ken n ASN 165 Ca -0.04 -0.65 -0.17 0.00 -0.60 0.00 0.00 54.58 53.12 3ken n ASN 165 Cb 0.50 -4.31 -0.07 0.00 -0.53 0.00 0.00 39.78 35.37 3ken n ASN 165 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ken n GLU 166 N -4.73 -1.18 -4.43 1.20 -0.58 -1.26 -4.78 120.64 104.87 3ken n GLU 166 Ca 0.02 1.07 -0.31 0.00 -0.42 0.00 0.00 57.16 57.52 3ken n GLU 166 Cb 0.54 -5.30 -0.11 0.00 -0.57 0.00 0.00 31.44 26.00 3ken n GLU 166 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3ken s GLU 167 N -3.54 2.25 -0.19 3.49 2.02 -0.41 -4.94 118.70 117.37 3ken s GLU 167 Ca 0.00 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 3ken s GLU 167 Cb 0.00 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 3ken s GLU 167 CO 0.00 0.55 -0.04 -0.51 0.02 0.00 0.00 175.26 175.28 3ken s LEU 168 N -1.72 3.02 0.02 1.80 1.02 -1.26 -1.56 118.68 120.00 3ken s LEU 168 Ca 0.18 -0.29 0.05 0.00 0.02 0.00 0.00 54.13 54.08 3ken s LEU 168 Cb -0.11 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 3ken s LEU 168 CO 0.09 0.06 -0.10 -0.36 0.02 0.00 0.00 176.35 176.05 3ken s PHE 169 N 1.03 2.77 -0.42 0.29 0.40 -0.42 -0.27 117.98 121.38 3ken s PHE 169 Ca 0.01 -0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 3ken s PHE 169 Cb -0.15 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 41.91 3ken s PHE 169 CO 0.00 0.34 0.26 0.34 0.70 0.00 0.00 175.22 176.86 3ken s ASP 170 N -1.49 5.68 0.50 1.36 -1.08 -1.26 -0.99 116.67 119.39 3ken s ASP 170 Ca 0.17 -1.41 0.31 0.00 -0.52 0.00 0.00 52.55 51.09 3ken s ASP 170 Cb -0.11 -2.01 1.14 0.00 -1.46 0.00 0.00 42.92 40.49 3ken s ASP 170 CO 0.07 -0.52 1.89 -0.07 0.52 0.00 0.00 175.17 177.06 3ken h LEU 171 N 8.43 0.00 -2.70 -1.34 3.38 -1.58 -3.14 115.31 118.36 3ken h LEU 171 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ken h LEU 171 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ken h LEU 171 CO 0.75 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.46 3ken n LEU 172 N -3.00 3.43 -4.77 1.67 4.77 -1.25 -4.21 117.00 113.64 3ken n LEU 172 Ca 0.01 -1.90 -0.37 0.00 -0.03 0.00 0.00 56.01 53.73 3ken n LEU 172 Cb 0.34 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ken n LEU 172 CO 0.28 0.84 0.83 0.21 -1.33 0.00 0.00 177.39 178.21 3ken s ASN 173 N -1.05 5.98 0.40 -1.43 3.84 -1.19 -4.91 114.94 116.57 3ken s ASN 173 Ca 0.36 2.31 0.12 0.00 0.21 0.00 0.00 52.86 55.86 3ken s ASN 173 Cb 0.19 -2.60 0.82 0.00 -0.55 0.00 0.00 41.25 39.11 3ken s ASN 173 CO 0.26 -1.05 1.90 -0.65 -2.79 0.00 0.00 177.10 174.77 3ken h PRO 174 N 1.78 0.08 -6.87 0.43 0.11 -1.95 -3.44 132.00 122.14 3ken h PRO 174 Ca -0.50 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.07 3ken h PRO 174 Cb 1.26 -0.01 0.07 0.00 0.11 0.00 0.00 31.00 32.43 3ken h PRO 174 CO 0.59 0.32 0.67 -1.54 -0.21 0.00 0.00 178.00 177.84 3ken s SER 175 N -6.94 6.70 0.36 -2.05 1.04 -1.26 -4.91 113.70 106.64 3ken s SER 175 Ca -0.04 2.73 0.27 0.00 0.48 0.00 0.00 55.95 59.39 3ken s SER 175 Cb 0.15 -2.65 1.17 0.00 0.10 0.00 0.00 66.02 64.79 3ken s SER 175 CO 0.72 -0.60 1.81 0.77 0.98 0.00 0.00 173.24 176.92 3ken h SER 176 N 3.60 0.00 -3.67 7.02 4.64 -2.02 -3.42 113.55 119.71 3ken h SER 176 Ca -0.49 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.15 3ken h SER 176 Cb 1.23 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.11 3ken h SER 176 CO 0.67 0.00 -0.52 -0.62 -0.87 0.00 0.00 176.83 175.49 3ken s ASP 177 N -4.68 5.78 0.56 4.97 3.68 -1.26 -4.96 116.67 120.75 3ken s ASP 177 Ca 0.02 -0.53 0.33 0.00 2.13 0.00 0.00 52.55 54.51 3ken s ASP 177 Cb 0.09 -2.06 1.64 0.00 -1.45 0.00 0.00 42.92 41.14 3ken s ASP 177 CO 0.42 -0.23 2.11 -0.37 0.13 0.00 0.00 175.17 177.23 3ken h VAL 178 N 5.61 0.29 0.00 1.11 -1.51 -1.91 -3.03 116.25 116.80 3ken h VAL 178 Ca -0.31 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3ken h VAL 178 Cb 1.15 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3ken h VAL 178 CO 0.63 0.06 0.00 -1.54 -1.23 0.00 0.00 177.57 175.49 3ken n SER 179 N -3.36 0.00 -4.68 4.19 3.41 -1.26 -4.50 113.62 107.41 3ken n SER 179 Ca -0.01 -0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 57.60 3ken n SER 179 Cb 0.22 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3ken n SER 179 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ken s GLU 180 N -2.22 4.23 0.14 4.33 0.41 -1.15 -4.96 118.70 119.47 3ken s GLU 180 Ca 0.36 2.09 -0.16 0.00 -0.41 0.00 0.00 54.97 56.84 3ken s GLU 180 Cb 0.19 -3.72 -0.07 0.00 -1.78 0.00 0.00 34.13 28.75 3ken s GLU 180 CO 0.36 -0.70 0.57 1.03 -0.49 0.00 0.00 175.26 176.02 3ken s ARG 181 N 3.05 4.06 0.63 1.61 0.52 -1.26 -4.46 118.95 123.09 3ken s ARG 181 Ca 0.68 0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 56.44 3ken s ARG 181 Cb -0.33 -3.00 0.04 0.00 0.52 0.00 0.00 34.95 32.18 3ken s ARG 181 CO 0.28 0.51 0.92 -0.51 0.02 0.00 0.00 175.30 176.51 3ken s LEU 182 N -1.75 3.07 0.15 2.53 1.43 0.63 -5.01 118.68 119.73 3ken s LEU 182 Ca 0.36 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 3ken s LEU 182 Cb -0.16 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3ken s LEU 182 CO 0.19 -1.31 -0.09 -1.10 0.23 0.00 0.00 176.35 174.27 3ken s GLN 183 N -5.04 1.06 0.01 1.70 -0.21 -1.17 -4.46 119.66 111.55 3ken s GLN 183 Ca 0.57 -1.45 0.06 0.00 0.02 0.00 0.00 55.36 54.56 3ken s GLN 183 Cb -0.11 -0.59 -0.02 0.00 1.00 0.00 0.00 33.01 33.29 3ken s GLN 183 CO 0.43 0.06 -0.19 1.41 -2.12 0.00 0.00 175.29 174.88 3ken s MET 184 N -3.76 1.43 0.01 2.91 -2.45 -1.26 -1.07 119.30 115.11 3ken s MET 184 Ca 0.17 -0.76 -0.08 0.00 -1.25 0.00 0.00 55.69 53.77 3ken s MET 184 Cb 0.03 -1.44 0.00 0.00 1.25 0.00 0.00 34.83 34.67 3ken s MET 184 CO 0.01 0.38 0.16 -0.06 1.05 0.00 0.00 175.02 176.56 3ken s PHE 185 N -0.58 0.04 0.32 4.11 0.08 -0.57 -4.97 117.98 116.41 3ken s PHE 185 Ca 0.07 -0.18 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 3ken s PHE 185 Cb -0.08 -0.04 -0.10 0.00 -0.57 0.00 0.00 43.02 42.23 3ken s PHE 185 CO 0.00 -0.34 1.41 -0.51 -0.10 0.00 0.00 175.22 175.68 3ken s ASP 186 N -1.64 6.61 -0.37 1.36 1.01 -1.26 0.07 116.67 122.45 3ken s ASP 186 Ca -0.11 2.79 -0.29 0.00 0.71 0.00 0.00 52.55 55.65 3ken s ASP 186 Cb -0.05 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.25 3ken s ASP 186 CO -0.00 -0.69 1.12 -0.62 0.21 0.00 0.00 175.17 175.19 3ken s ASP 187 N -0.11 6.80 0.38 0.27 -1.08 -0.39 -4.64 116.67 117.91 3ken s ASP 187 Ca 0.54 0.88 0.16 0.00 -0.52 0.00 0.00 52.55 53.60 3ken s ASP 187 Cb -0.43 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.51 3ken s ASP 187 CO 0.53 -1.03 1.79 -0.65 0.52 0.00 0.00 175.17 176.33 3ken h PRO 188 N 8.60 0.46 -2.02 4.34 0.11 -1.91 -2.33 132.00 139.25 3ken h PRO 188 Ca -0.22 -0.03 -0.77 0.00 0.11 0.00 0.00 66.00 65.09 3ken h PRO 188 Cb 1.06 -0.10 -0.27 0.00 0.11 0.00 0.00 31.00 31.80 3ken h PRO 188 CO 1.06 0.30 1.02 2.89 -0.21 0.00 0.00 178.00 183.07 3ken n ARG 189 N -4.63 3.09 0.00 1.05 1.85 -1.26 -4.81 116.66 111.95 3ken n ARG 189 Ca 0.24 -3.68 0.00 0.00 -1.00 0.00 0.00 57.85 53.40 3ken n ARG 189 Cb 0.77 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 3ken n ARG 189 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3ken n ASN 190 N -0.48 0.00 0.25 2.89 2.85 -0.88 -5.02 115.26 114.87 3ken n ASN 190 Ca 0.53 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 55.10 3ken n ASN 190 Cb 0.24 0.00 0.66 0.00 1.24 0.00 0.00 39.78 41.93 3ken n ASN 190 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 3ken h LYS 191 N 0.00 0.00 -0.14 1.20 2.10 -1.87 -3.12 116.57 114.74 3ken h LYS 191 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 3ken h LYS 191 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 3ken h LYS 191 CO 0.00 0.13 -0.67 2.89 -2.00 0.00 0.00 179.45 179.80 3ken n ARG 192 N -3.93 1.66 -4.35 0.07 1.85 -1.26 -5.01 116.66 105.69 3ken n ARG 192 Ca -0.02 -3.24 -0.18 0.00 -1.00 0.00 0.00 57.85 53.40 3ken n ARG 192 Cb 0.22 -1.46 -0.10 0.00 -1.05 0.00 0.00 32.46 30.07 3ken n ARG 192 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3ken s GLY 193 N -3.12 1.44 0.15 2.89 0.00 -1.18 -3.72 107.32 103.78 3ken s GLY 193 Ca 0.39 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.47 3ken s GLY 193 CO -0.07 -1.76 -0.08 -1.34 0.00 0.00 0.00 173.10 169.86 3ken s VAL 194 N -2.98 1.01 -0.09 1.40 -7.23 -1.26 -1.26 120.40 109.99 3ken s VAL 194 Ca 0.23 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 3ken s VAL 194 Cb -0.00 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 3ken s VAL 194 CO 0.07 -0.71 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.41 3ken s ILE 195 N -3.43 3.26 -0.59 -0.62 1.01 0.11 -4.71 121.20 116.23 3ken s ILE 195 Ca 0.17 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 3ken s ILE 195 Cb 0.04 -2.34 0.15 0.00 0.01 0.00 0.00 42.46 40.32 3ken s ILE 195 CO 0.01 0.56 0.54 -0.63 0.00 0.00 0.00 174.94 175.41 3ken s ILE 196 N -0.24 5.19 0.10 2.92 -1.09 -1.26 -1.51 121.20 125.31 3ken s ILE 196 Ca 0.02 -1.74 -0.31 0.00 -2.23 0.00 0.00 60.65 56.39 3ken s ILE 196 Cb -0.13 -4.31 -0.08 0.00 -1.58 0.00 0.00 42.46 36.36 3ken s ILE 196 CO 0.03 -0.89 1.47 -0.75 -1.23 0.00 0.00 174.94 173.56 3ken s LYS 197 N 1.27 4.27 0.00 2.79 2.20 -0.24 -2.43 119.74 127.61 3ken s LYS 197 Ca 0.06 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 3ken s LYS 197 Cb -0.26 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3ken s LYS 197 CO 0.00 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 3ken n GLY 198 N 3.65 0.70 3.75 5.54 0.00 -1.26 -3.03 105.19 114.53 3ken n GLY 198 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ken n GLY 198 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ken s LEU 199 N 0.00 4.37 -0.38 0.99 2.96 -1.02 -4.97 118.68 120.63 3ken s LEU 199 Ca 0.00 2.80 -0.20 0.00 -0.22 0.00 0.00 54.13 56.51 3ken s LEU 199 Cb 0.00 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3ken s LEU 199 CO 0.00 -0.77 0.60 -0.70 -1.32 0.00 0.00 176.35 174.17 3ken s GLU 200 N -0.77 3.52 -0.40 1.98 2.56 -1.26 -5.02 118.70 119.30 3ken s GLU 200 Ca 0.59 -0.16 -0.09 0.00 0.00 0.00 0.00 54.97 55.31 3ken s GLU 200 Cb -0.44 -3.86 0.07 0.00 2.00 0.00 0.00 34.13 31.90 3ken s GLU 200 CO 0.48 -0.81 0.23 -1.21 -0.56 0.00 0.00 175.26 173.40 3ken s GLU 201 N 2.65 2.63 -0.07 4.30 2.02 -1.26 -4.62 118.70 124.36 3ken s GLU 201 Ca 0.22 -1.37 -0.23 0.00 0.02 0.00 0.00 54.97 53.61 3ken s GLU 201 Cb -0.15 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 3ken s GLU 201 CO 0.16 -0.88 0.67 0.42 0.02 0.00 0.00 175.26 175.64 3ken s ILE 202 N 1.44 5.05 -0.15 -1.63 1.01 -0.41 -4.83 121.20 121.68 3ken s ILE 202 Ca 0.02 1.37 -0.27 0.00 0.00 0.00 0.00 60.65 61.77 3ken s ILE 202 Cb -0.22 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 3ken s ILE 202 CO 0.03 0.27 0.92 -0.89 0.00 0.00 0.00 174.94 175.27 3ken s THR 203 N 0.70 4.83 -0.44 2.92 2.01 -1.26 -0.63 115.64 123.77 3ken s THR 203 Ca 0.36 1.82 -0.14 0.00 0.31 0.00 0.00 61.69 64.04 3ken s THR 203 Cb -0.17 -4.22 0.06 0.00 0.01 0.00 0.00 72.50 68.18 3ken s THR 203 CO 0.17 -0.00 0.33 -0.69 -0.69 0.00 0.00 174.62 173.74 3ken s VAL 204 N 2.19 4.97 0.23 3.82 1.01 0.90 -4.96 120.40 128.57 3ken s VAL 204 Ca 0.42 -1.02 0.18 0.00 0.00 0.00 0.00 61.98 61.56 3ken s VAL 204 Cb -0.17 -3.92 0.12 0.00 0.00 0.00 0.00 36.38 32.41 3ken s VAL 204 CO 0.14 -0.47 1.76 0.45 0.00 0.00 0.00 175.10 176.98 3ken h HIS 205 N 8.63 0.00 -2.64 5.22 3.86 -1.95 -3.36 115.15 124.90 3ken h HIS 205 Ca -0.27 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.06 3ken h HIS 205 Cb 1.11 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.53 3ken h HIS 205 CO 0.61 0.38 0.41 0.54 0.86 0.00 0.00 177.93 180.73 3ken s ASN 206 N -6.54 -0.13 0.56 2.45 2.20 -1.26 -5.02 114.94 107.20 3ken s ASN 206 Ca -0.01 -0.63 0.31 0.00 -0.94 0.00 0.00 52.86 51.60 3ken s ASN 206 Cb 0.12 0.61 1.63 0.00 -2.00 0.00 0.00 41.25 41.61 3ken s ASN 206 CO 0.69 -1.16 2.12 0.07 -2.94 0.00 0.00 177.10 175.88 3ken h LYS 207 N 2.00 0.00 0.00 3.55 2.10 -1.92 -2.46 116.57 119.84 3ken h LYS 207 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3ken h LYS 207 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3ken h LYS 207 CO 0.29 0.08 0.00 -0.25 -2.00 0.00 0.00 179.45 177.57 3ken n ASP 208 N -3.48 0.00 -0.00 7.07 8.00 -1.26 -2.30 116.55 124.58 3ken n ASP 208 Ca -0.02 0.02 0.09 0.00 0.71 0.00 0.00 54.79 55.58 3ken n ASP 208 Cb 0.21 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 3ken n ASP 208 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ken n GLU 209 N -1.29 1.00 0.29 -1.24 1.02 -0.93 -4.71 120.64 114.78 3ken n GLU 209 Ca 0.09 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 3ken n GLU 209 Cb 0.15 -1.36 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 3ken n GLU 209 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ken h VAL 210 N 0.00 0.00 -1.05 2.62 2.07 -1.56 -3.26 116.25 115.07 3ken h VAL 210 Ca 0.00 -0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.79 3ken h VAL 210 Cb 0.43 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.09 3ken h VAL 210 CO 0.00 0.00 0.66 0.22 0.02 0.00 0.00 177.57 178.47 3ken h TYR 211 N -0.74 0.74 -0.74 1.57 5.03 -1.84 -0.23 116.97 120.74 3ken h TYR 211 Ca -0.08 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.20 3ken h TYR 211 Cb 0.57 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 3ken h TYR 211 CO 0.10 0.04 0.22 1.96 -1.32 0.00 0.00 178.16 179.16 3ken h GLN 212 N 0.41 1.16 -0.46 1.82 4.20 -1.87 0.60 115.11 120.97 3ken h GLN 212 Ca 0.63 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 59.01 3ken h GLN 212 Cb 1.52 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 3ken h GLN 212 CO -0.35 1.00 0.01 0.82 -0.67 0.00 0.00 178.83 179.63 3ken h ILE 213 N 1.11 1.26 -0.47 2.54 2.04 -1.09 -1.40 117.51 121.50 3ken h ILE 213 Ca 0.24 -1.04 -0.14 0.00 1.00 0.00 0.00 64.86 64.92 3ken h ILE 213 Cb 0.33 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3ken h ILE 213 CO -0.01 0.36 -0.24 -0.07 0.00 0.00 0.00 178.15 178.19 3ken h LEU 214 N 0.66 1.02 -0.61 1.44 3.38 -1.25 -1.70 115.31 118.25 3ken h LEU 214 Ca 0.13 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3ken h LEU 214 Cb 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3ken h LEU 214 CO 0.02 1.20 0.26 -0.08 0.09 0.00 0.00 178.44 179.93 3ken h GLU 215 N 0.84 0.90 -0.59 1.13 4.81 -0.76 -0.20 114.58 120.71 3ken h GLU 215 Ca 0.10 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3ken h GLU 215 Cb 0.82 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3ken h GLU 215 CO 0.07 0.75 0.22 0.87 -0.73 0.00 0.00 179.01 180.20 3ken h LYS 216 N 0.85 0.90 0.19 1.92 1.57 -1.17 -1.95 116.57 118.87 3ken h LYS 216 Ca 0.21 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3ken h LYS 216 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3ken h LYS 216 CO -0.02 0.78 -0.22 0.78 -0.57 0.00 0.00 179.45 180.19 3ken h GLY 217 N 0.83 -0.47 1.20 3.86 0.00 -0.80 -1.85 103.07 105.84 3ken h GLY 217 Ca 0.20 0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.82 3ken h GLY 217 CO -0.01 -0.21 0.44 0.00 0.00 0.00 0.00 176.54 176.76 3ken h ALA 218 N 0.26 1.67 -0.26 3.60 0.00 -0.95 -1.90 119.26 121.69 3ken h ALA 218 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ken h ALA 218 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ken h ALA 218 CO -0.07 0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.55 3ken h ALA 219 N 1.62 0.34 -0.01 0.00 0.00 -0.73 -0.05 119.26 120.43 3ken h ALA 219 Ca 0.27 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3ken h ALA 219 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ken h ALA 219 CO -0.08 -0.09 -0.36 0.87 0.00 0.00 0.00 179.25 179.59 3ken h LYS 220 N 0.29 0.03 -0.25 0.00 1.57 -1.01 -2.33 116.57 114.86 3ken h LYS 220 Ca 0.09 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3ken h LYS 220 Cb 0.14 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3ken h LYS 220 CO -0.01 0.39 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.11 3ken h ARG 221 N 0.02 0.49 -1.00 3.15 2.43 -0.94 -1.55 114.38 116.98 3ken h ARG 221 Ca -0.00 -0.18 0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3ken h ARG 221 Cb 0.65 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.09 3ken h ARG 221 CO 0.05 0.70 0.63 1.15 -1.51 0.00 0.00 179.97 180.99 3ken h THR 222 N 0.23 0.94 -0.57 0.20 2.02 -0.66 -0.41 112.91 114.67 3ken h THR 222 Ca 0.06 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 3ken h THR 222 Cb 0.52 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3ken h THR 222 CO 0.02 0.18 -0.08 0.74 0.37 0.00 0.00 175.52 176.76 3ken h THR 223 N 1.01 1.27 -0.58 3.16 2.02 -1.12 -3.09 112.91 115.57 3ken h THR 223 Ca 0.49 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 3ken h THR 223 Cb 0.45 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3ken h THR 223 CO -0.25 0.44 0.18 0.00 0.37 0.00 0.00 175.52 176.26 3ken h ALA 224 N 0.95 1.22 0.00 6.16 0.00 -0.10 -2.58 119.26 124.91 3ken h ALA 224 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ken h ALA 224 Cb 0.65 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ken h ALA 224 CO 0.04 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 3ken h ALA 225 N 1.34 1.17 -0.00 0.00 0.00 -1.13 -0.78 119.26 119.86 3ken h ALA 225 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ken h ALA 225 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ken h ALA 225 CO -0.01 0.10 -0.39 0.25 0.00 0.00 0.00 179.25 179.21 3ken n THR 226 N -3.43 0.00 -0.08 0.00 -2.24 -0.99 -4.07 114.28 103.47 3ken n THR 226 Ca -0.01 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 3ken n THR 226 Cb 0.23 0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.52 3ken n THR 226 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ken n LEU 227 N -1.27 0.40 -4.25 3.22 4.32 -0.37 -4.99 117.00 114.07 3ken n LEU 227 Ca 0.08 0.08 -0.25 0.00 -0.02 0.00 0.00 56.01 55.90 3ken n LEU 227 Cb 0.33 0.32 -0.14 0.00 -1.62 0.00 0.00 43.42 42.32 3ken n LEU 227 CO 0.32 0.51 -0.52 -0.04 -1.22 0.00 0.00 177.39 176.44 3ken s MET 228 N -2.52 1.31 0.12 3.23 -1.94 -0.80 -5.11 119.30 113.59 3ken s MET 228 Ca -0.10 -0.96 -0.31 0.00 -1.71 0.00 0.00 55.69 52.60 3ken s MET 228 Cb 0.07 -1.44 -0.09 0.00 2.01 0.00 0.00 34.83 35.38 3ken s MET 228 CO 0.82 0.36 1.61 1.21 -0.01 0.00 0.00 175.02 179.01 3ken s ASN 229 N -1.30 6.59 -1.63 3.03 3.84 -1.26 -3.16 114.94 121.05 3ken s ASN 229 Ca 0.07 2.56 -0.14 0.00 0.21 0.00 0.00 52.86 55.56 3ken s ASN 229 Cb -0.09 -2.58 0.12 0.00 -0.55 0.00 0.00 41.25 38.15 3ken s ASN 229 CO 0.02 -0.86 0.68 0.00 -2.79 0.00 0.00 177.10 174.15 3ken n ALA 230 N 4.78 -1.45 -0.03 1.71 0.00 -1.26 -4.87 120.51 119.38 3ken n ALA 230 Ca 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 3ken n ALA 230 Cb 0.39 -2.96 -0.03 0.00 0.00 0.00 0.00 19.45 16.86 3ken n ALA 230 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3ken h TYR 231 N -1.59 -0.18 -0.96 0.00 5.03 -1.81 -2.04 116.97 115.42 3ken h TYR 231 Ca -0.60 0.02 0.11 0.00 2.58 0.00 0.00 58.73 60.83 3ken h TYR 231 Cb 1.38 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 39.69 3ken h TYR 231 CO 0.60 -0.12 0.60 1.03 -1.32 0.00 0.00 178.16 178.94 3ken h SER 232 N -0.05 0.88 0.64 -2.11 0.87 -1.90 -1.64 113.55 110.25 3ken h SER 232 Ca 0.10 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3ken h SER 232 Cb 0.20 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3ken h SER 232 CO -0.22 0.49 -1.10 -1.54 -0.53 0.00 0.00 176.83 173.92 3ken n SER 233 N -4.64 0.63 0.00 6.23 3.41 -1.18 -4.23 113.62 113.86 3ken n SER 233 Ca 0.17 0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 3ken n SER 233 Cb 0.31 0.75 -0.05 0.00 -0.26 0.00 0.00 64.21 64.96 3ken n SER 233 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ken n ARG 234 N -2.30 0.12 -2.70 4.33 1.74 -0.77 -1.36 116.66 115.72 3ken n ARG 234 Ca 0.01 -0.02 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 3ken n ARG 234 Cb 0.50 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 3ken n ARG 234 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ken s SER 235 N -3.32 5.90 -0.08 0.55 1.04 -0.63 -4.73 113.70 112.42 3ken s SER 235 Ca 0.06 0.63 0.05 0.00 0.48 0.00 0.00 55.95 57.16 3ken s SER 235 Cb 0.16 -1.83 -0.01 0.00 0.10 0.00 0.00 66.02 64.44 3ken s SER 235 CO 0.84 -0.77 -0.22 -1.00 0.98 0.00 0.00 173.24 173.07 3ken s HIS 236 N -2.75 2.54 -0.14 5.02 3.76 0.10 -2.54 115.29 121.29 3ken s HIS 236 Ca 0.49 -0.75 -0.02 0.00 -0.15 0.00 0.00 55.06 54.63 3ken s HIS 236 Cb -0.10 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 3ken s HIS 236 CO 0.42 -0.24 -0.08 0.45 -0.85 0.00 0.00 174.74 174.44 3ken s SER 237 N -0.01 4.40 -0.24 1.40 0.15 0.15 -0.35 113.70 119.20 3ken s SER 237 Ca -0.07 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.37 3ken s SER 237 Cb -0.15 -1.68 0.06 0.00 -1.71 0.00 0.00 66.02 62.54 3ken s SER 237 CO 0.05 0.17 -0.07 -0.69 1.20 0.00 0.00 173.24 173.91 3ken s VAL 238 N 0.31 1.71 -0.17 4.45 1.01 0.27 -1.16 120.40 126.82 3ken s VAL 238 Ca -0.07 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.51 3ken s VAL 238 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3ken s VAL 238 CO 0.04 -0.09 0.01 0.12 0.00 0.00 0.00 175.10 175.18 3ken s PHE 239 N 1.31 3.12 0.02 5.22 2.19 -0.50 -1.83 117.98 127.50 3ken s PHE 239 Ca -0.06 -0.17 0.07 0.00 0.33 0.00 0.00 56.93 57.10 3ken s PHE 239 Cb -0.19 -2.03 -0.02 0.00 -1.31 0.00 0.00 43.02 39.47 3ken s PHE 239 CO -0.06 0.01 -0.21 -1.12 1.83 0.00 0.00 175.22 175.67 3ken s SER 240 N 0.46 2.48 -0.08 6.13 0.01 -0.37 0.05 113.70 122.39 3ken s SER 240 Ca -0.01 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.82 3ken s SER 240 Cb -0.14 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.87 3ken s SER 240 CO 0.02 0.21 -0.15 -0.69 0.41 0.00 0.00 173.24 173.03 3ken s VAL 241 N -0.66 1.36 -0.12 3.43 1.01 -0.17 -1.87 120.40 123.38 3ken s VAL 241 Ca 0.08 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3ken s VAL 241 Cb -0.08 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.08 3ken s VAL 241 CO 0.01 0.41 -0.22 -0.89 0.00 0.00 0.00 175.10 174.40 3ken s THR 242 N 0.65 1.99 -0.11 3.92 2.01 0.34 -1.19 115.64 123.24 3ken s THR 242 Ca -0.14 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 60.93 3ken s THR 242 Cb -0.16 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 3ken s THR 242 CO 0.04 0.54 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.66 3ken s ILE 243 N 0.62 2.22 -0.19 1.82 1.01 -0.26 -1.20 121.20 125.22 3ken s ILE 243 Ca -0.12 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.54 3ken s ILE 243 Cb -0.17 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 3ken s ILE 243 CO 0.03 0.55 -0.06 -1.00 0.00 0.00 0.00 174.94 174.46 3ken s HIS 244 N 0.40 2.93 -0.01 3.97 3.76 -0.87 -1.34 115.29 124.13 3ken s HIS 244 Ca -0.16 -0.77 0.05 0.00 -0.15 0.00 0.00 55.06 54.03 3ken s HIS 244 Cb -0.17 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 3ken s HIS 244 CO 0.07 -0.39 -0.16 -1.64 -0.85 0.00 0.00 174.74 171.77 3ken s MET 245 N 1.04 1.31 0.02 1.40 -1.94 -0.41 -1.89 119.30 118.83 3ken s MET 245 Ca 0.00 -0.59 -0.19 0.00 -1.71 0.00 0.00 55.69 53.21 3ken s MET 245 Cb -0.15 -1.27 -0.06 0.00 2.01 0.00 0.00 34.83 35.37 3ken s MET 245 CO -0.00 0.35 0.54 0.15 -0.01 0.00 0.00 175.02 176.04 3ken s LYS 246 N -0.41 4.20 0.01 2.03 1.02 -0.64 -1.25 119.74 124.70 3ken s LYS 246 Ca 0.06 0.65 0.04 0.00 0.02 0.00 0.00 55.97 56.75 3ken s LYS 246 Cb -0.06 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 3ken s LYS 246 CO -0.01 0.53 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.61 3ken s GLU 247 N -0.68 0.98 -0.18 1.68 2.02 -0.51 -4.61 118.70 117.40 3ken s GLU 247 Ca 0.28 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.68 3ken s GLU 247 Cb -0.18 -0.97 0.03 0.00 0.10 0.00 0.00 34.13 33.11 3ken s GLU 247 CO 0.17 0.25 -0.16 0.99 0.02 0.00 0.00 175.26 176.53 3ken s THR 248 N -0.57 1.89 1.21 3.63 2.01 -1.26 -1.10 115.64 121.46 3ken s THR 248 Ca 0.03 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 60.92 3ken s THR 248 Cb -0.06 -1.79 0.29 0.00 0.01 0.00 0.00 72.50 70.95 3ken s THR 248 CO 0.00 0.40 1.02 0.42 -0.69 0.00 0.00 174.62 175.77 3ken s THR 249 N 1.33 1.77 0.36 -0.82 -4.23 0.02 -4.82 115.64 109.26 3ken s THR 249 Ca 0.02 0.00 0.39 0.00 -1.18 0.00 0.00 61.69 60.92 3ken s THR 249 Cb -0.14 -2.19 0.42 0.00 1.34 0.00 0.00 72.50 71.93 3ken s THR 249 CO -0.11 0.00 2.16 -0.29 -0.54 0.00 0.00 174.62 175.85 3ken h ILE 250 N -2.72 0.01 -0.01 2.99 6.09 -2.00 -1.36 117.51 120.50 3ken h ILE 250 Ca -0.55 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.66 3ken h ILE 250 Cb 1.33 1.28 0.00 0.00 0.47 0.00 0.00 36.82 39.90 3ken h ILE 250 CO 0.45 0.00 -0.09 0.47 -3.07 0.00 0.00 178.15 175.91 3ken n ASP 251 N -3.09 1.26 0.00 2.19 8.00 -1.26 -4.93 116.55 118.71 3ken n ASP 251 Ca -0.01 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3ken n ASP 251 Cb 0.20 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3ken n ASP 251 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ken n GLY 252 N 1.23 0.75 3.71 0.44 0.00 -0.51 -5.06 105.19 105.75 3ken n GLY 252 Ca 0.17 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3ken n GLY 252 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ken s GLU 253 N -0.72 4.38 -0.19 1.61 2.12 -1.26 -4.80 118.70 119.84 3ken s GLU 253 Ca 0.00 0.81 -0.16 0.00 0.36 0.00 0.00 54.97 55.99 3ken s GLU 253 Cb 0.00 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 3ken s GLU 253 CO 0.00 -0.00 0.38 -1.21 -0.54 0.00 0.00 175.26 173.89 3ken s GLU 254 N 1.05 4.20 0.20 4.30 2.02 -1.26 -0.80 118.70 128.41 3ken s GLU 254 Ca 0.35 0.19 0.01 0.00 0.02 0.00 0.00 54.97 55.54 3ken s GLU 254 Cb -0.17 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.50 3ken s GLU 254 CO 0.16 0.02 0.07 -0.48 0.02 0.00 0.00 175.26 175.04 3ken s LEU 255 N 1.12 1.72 -0.19 1.80 2.34 -0.26 -5.00 118.68 120.23 3ken s LEU 255 Ca 0.19 -1.29 0.01 0.00 0.06 0.00 0.00 54.13 53.10 3ken s LEU 255 Cb -0.14 0.11 0.03 0.00 -0.56 0.00 0.00 46.19 45.62 3ken s LEU 255 CO 0.07 -0.70 -0.17 -0.69 -1.06 0.00 0.00 176.35 173.80 3ken s VAL 256 N -3.84 1.95 -0.02 1.48 1.01 -1.26 -1.42 120.40 118.30 3ken s VAL 256 Ca 0.31 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 3ken s VAL 256 Cb 0.07 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3ken s VAL 256 CO 0.08 0.43 0.27 -1.59 0.00 0.00 0.00 175.10 174.29 3ken s LYS 257 N 1.31 3.62 -0.06 2.72 -2.85 -0.38 -4.92 119.74 119.18 3ken s LYS 257 Ca 0.03 0.03 0.05 0.00 -1.00 0.00 0.00 55.97 55.07 3ken s LYS 257 Cb -0.14 -3.13 -0.02 0.00 -2.06 0.00 0.00 37.83 32.49 3ken s LYS 257 CO -0.11 0.68 -0.21 0.42 0.10 0.00 0.00 175.35 176.23 3ken s ILE 258 N -1.20 2.39 -0.00 3.79 1.01 -1.26 -1.29 121.20 124.64 3ken s ILE 258 Ca 0.24 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 60.01 3ken s ILE 258 Cb -0.14 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3ken s ILE 258 CO 0.13 0.57 -0.20 -0.83 0.00 0.00 0.00 174.94 174.60 3ken s GLY 259 N -0.26 1.02 -0.02 6.18 0.00 -0.45 -4.02 107.32 109.77 3ken s GLY 259 Ca -0.00 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3ken s GLY 259 CO 0.03 -0.78 -0.04 1.25 0.00 0.00 0.00 173.10 173.56 3ken s LYS 260 N -0.62 0.53 -0.13 2.90 2.20 -0.76 -1.10 119.74 122.76 3ken s LYS 260 Ca 0.08 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.57 3ken s LYS 260 Cb -0.08 -0.56 0.02 0.00 -1.51 0.00 0.00 37.83 35.70 3ken s LYS 260 CO -0.00 0.02 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.70 3ken s LEU 261 N 0.35 1.68 -0.22 5.43 2.96 -0.33 -0.10 118.68 128.45 3ken s LEU 261 Ca -0.04 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 3ken s LEU 261 Cb -0.08 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 3ken s LEU 261 CO -0.00 -0.03 0.05 0.20 -1.32 0.00 0.00 176.35 175.25 3ken s ASN 262 N 1.27 5.19 -0.35 3.68 0.02 0.26 -0.99 114.94 124.01 3ken s ASN 262 Ca -0.00 -0.13 -0.04 0.00 -1.02 0.00 0.00 52.86 51.66 3ken s ASN 262 Cb -0.14 -1.91 0.06 0.00 0.02 0.00 0.00 41.25 39.28 3ken s ASN 262 CO -0.06 0.04 0.10 -0.76 0.02 0.00 0.00 177.10 176.44 3ken s LEU 263 N 1.17 4.45 -0.16 0.60 1.43 0.11 -0.48 118.68 125.81 3ken s LEU 263 Ca 0.04 -1.44 -0.03 0.00 -1.03 0.00 0.00 54.13 51.67 3ken s LEU 263 Cb -0.14 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3ken s LEU 263 CO 0.03 -0.37 -0.06 -0.69 0.23 0.00 0.00 176.35 175.49 3ken s VAL 264 N 1.28 3.63 -0.43 -1.59 1.01 0.31 -1.41 120.40 123.20 3ken s VAL 264 Ca -0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3ken s VAL 264 Cb -0.21 -2.58 0.11 0.00 0.00 0.00 0.00 36.38 33.70 3ken s VAL 264 CO -0.00 0.49 0.25 -0.62 0.00 0.00 0.00 175.10 175.22 3ken s ASP 265 N 0.49 5.43 0.72 3.32 -1.08 -0.31 -0.51 116.67 124.73 3ken s ASP 265 Ca -0.05 -1.95 -0.11 0.00 -0.52 0.00 0.00 52.55 49.92 3ken s ASP 265 Cb -0.15 -1.90 0.02 0.00 -1.46 0.00 0.00 42.92 39.44 3ken s ASP 265 CO 0.03 -0.59 1.07 -0.76 0.52 0.00 0.00 175.17 175.44 3ken s LEU 266 N 1.23 3.04 0.79 -1.34 1.43 -1.12 -0.67 118.68 122.04 3ken s LEU 266 Ca 0.07 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 3ken s LEU 266 Cb -0.24 -4.42 0.07 0.00 0.03 0.00 0.00 46.19 41.64 3ken s LEU 266 CO -0.03 -1.61 1.13 0.00 0.23 0.00 0.00 176.35 176.07 3ken s ALA 267 N -3.04 2.02 0.24 4.21 0.00 -1.05 -4.87 121.76 119.28 3ken s ALA 267 Ca 0.59 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.73 3ken s ALA 267 Cb -0.15 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 3ken s ALA 267 CO 0.55 -2.02 1.59 0.41 0.00 0.00 0.00 175.76 176.29 3ken n GLY 268 N -0.44 1.26 0.25 0.00 0.00 -0.46 -4.69 105.19 101.11 3ken n GLY 268 Ca 0.11 0.54 0.10 0.00 0.00 0.00 0.00 46.02 46.77 3ken n GLY 268 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ken h SER 269 N 5.40 0.00 -0.30 1.61 4.64 -1.74 -2.82 113.55 120.34 3ken h SER 269 Ca -0.45 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.95 3ken h SER 269 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3ken h SER 269 CO 0.85 0.13 0.32 1.05 -0.87 0.00 0.00 176.83 178.31 3ken h GLU 270 N 0.00 0.00 0.00 4.77 9.09 -1.90 -3.49 114.58 123.05 3ken h GLU 270 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ken h GLU 270 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3ken h GLU 270 CO 0.02 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.17 3ken n ASN 271 N -3.78 0.00 0.00 3.06 3.02 -1.07 -5.14 115.26 111.36 3ken n ASN 271 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3ken n ASN 271 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3ken n ASN 271 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3ken n ILE 288 N -0.40 0.00 -0.00 2.41 -5.35 -1.26 -5.06 119.36 109.70 3ken n ILE 288 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 3ken n ILE 288 Cb 0.00 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 37.94 3ken n ILE 288 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3ken n ASN 289 N 0.00 2.02 -0.04 7.28 4.13 -1.26 -4.50 115.26 122.89 3ken n ASN 289 Ca 0.00 -1.77 -0.08 0.00 1.68 0.00 0.00 54.58 54.40 3ken n ASN 289 Cb 0.00 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.17 3ken n ASN 289 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 3ken h GLN 290 N 0.62 -0.14 -0.24 3.52 5.75 -1.98 0.60 115.11 123.24 3ken h GLN 290 Ca 0.00 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3ken h GLN 290 Cb 0.46 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 3ken h GLN 290 CO 0.00 -0.09 0.14 0.77 -2.65 0.00 0.00 178.83 176.99 3ken h SER 291 N -0.14 0.29 -0.57 -0.69 0.02 -1.89 0.14 113.55 110.72 3ken h SER 291 Ca 0.12 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3ken h SER 291 Cb 0.32 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3ken h SER 291 CO -0.29 0.28 0.05 0.25 -1.14 0.00 0.00 176.83 175.98 3ken h LEU 292 N 0.28 0.97 -0.31 5.07 5.85 -1.85 -1.24 115.31 124.08 3ken h LEU 292 Ca 0.08 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3ken h LEU 292 Cb 0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3ken h LEU 292 CO -0.01 1.00 0.04 0.25 -0.34 0.00 0.00 178.44 179.38 3ken h LEU 293 N 0.94 0.50 -0.94 2.25 5.85 -0.64 -2.74 115.31 120.52 3ken h LEU 293 Ca 0.18 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 3ken h LEU 293 Cb 0.47 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ken h LEU 293 CO 0.02 0.64 -0.52 0.74 -0.34 0.00 0.00 178.44 178.97 3ken h THR 294 N 0.34 1.37 -0.36 1.05 2.02 -0.60 -2.48 112.91 114.25 3ken h THR 294 Ca 0.09 -1.79 0.01 0.00 0.77 0.00 0.00 66.41 65.49 3ken h THR 294 Cb 0.35 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3ken h THR 294 CO 0.01 0.51 0.23 0.25 0.37 0.00 0.00 175.52 176.89 3ken h LEU 295 N 0.01 0.38 -1.01 2.58 5.85 -1.02 0.54 115.31 122.63 3ken h LEU 295 Ca -0.00 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3ken h LEU 295 Cb 0.93 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3ken h LEU 295 CO 0.07 0.28 -0.02 1.23 -0.34 0.00 0.00 178.44 179.65 3ken h GLY 296 N 0.46 0.73 1.06 3.75 0.00 -1.35 -1.17 103.07 106.56 3ken h GLY 296 Ca 0.14 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3ken h GLY 296 CO -0.05 0.45 -0.11 -0.09 0.00 0.00 0.00 176.54 176.74 3ken h ARG 297 N 0.64 0.95 -0.43 4.80 2.43 -0.89 -1.55 114.38 120.34 3ken h ARG 297 Ca 0.13 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 3ken h ARG 297 Cb 0.43 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3ken h ARG 297 CO 0.02 1.02 0.11 0.28 -1.51 0.00 0.00 179.97 179.89 3ken h VAL 298 N 0.81 1.23 -0.10 0.20 2.07 0.47 -1.57 116.25 119.35 3ken h VAL 298 Ca 0.13 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3ken h VAL 298 Cb 0.66 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3ken h VAL 298 CO 0.05 0.28 0.05 0.40 0.02 0.00 0.00 177.57 178.36 3ken h ILE 299 N 0.55 1.11 -0.51 4.57 2.04 -1.13 -2.16 117.51 121.99 3ken h ILE 299 Ca 0.13 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.74 3ken h ILE 299 Cb 0.30 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3ken h ILE 299 CO 0.00 0.10 0.19 0.74 0.00 0.00 0.00 178.15 179.18 3ken h THR 300 N 0.04 0.83 -0.80 -0.27 2.02 -1.19 -0.63 112.91 112.91 3ken h THR 300 Ca 0.03 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.10 3ken h THR 300 Cb 0.11 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 3ken h THR 300 CO -0.00 0.07 0.53 0.00 0.37 0.00 0.00 175.52 176.48 3ken h ALA 301 N 1.34 1.45 -0.11 6.16 0.00 -1.09 -0.61 119.26 126.40 3ken h ALA 301 Ca 0.25 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3ken h ALA 301 Cb 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ken h ALA 301 CO -0.24 0.51 -0.35 -0.07 0.00 0.00 0.00 179.25 179.09 3ken h LEU 302 N 1.06 0.50 -0.93 0.00 3.38 -0.64 0.12 115.31 118.80 3ken h LEU 302 Ca 0.30 -0.61 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 3ken h LEU 302 Cb -0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3ken h LEU 302 CO -0.07 1.02 -0.52 -0.37 0.09 0.00 0.00 178.44 178.60 3ken h VAL 303 N 0.00 1.37 -0.24 1.22 -1.51 -0.99 -2.76 116.25 113.34 3ken h VAL 303 Ca -0.01 -1.77 0.00 0.00 -1.23 0.00 0.00 66.70 63.69 3ken h VAL 303 Cb 0.98 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 3ken h VAL 303 CO 0.07 0.51 0.00 -0.62 -1.23 0.00 0.00 177.57 176.31 3ken n GLU 304 N -3.93 2.02 -3.67 5.19 1.02 -0.25 -4.95 120.64 116.07 3ken n GLU 304 Ca -0.02 -1.53 -0.27 0.00 -0.02 0.00 0.00 57.16 55.32 3ken n GLU 304 Cb 0.53 -1.44 0.03 0.00 -0.02 0.00 0.00 31.44 30.54 3ken n GLU 304 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ken n ARG 305 N 0.76 -5.31 -2.26 3.49 1.74 -0.65 -4.95 116.66 109.48 3ken n ARG 305 Ca 0.17 0.64 -0.40 0.00 -0.77 0.00 0.00 57.85 57.49 3ken n ARG 305 Cb 0.43 -5.52 -0.03 0.00 -1.02 0.00 0.00 32.46 26.33 3ken n ARG 305 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ken s THR 306 N -3.22 3.03 0.07 0.55 2.01 0.31 -4.97 115.64 113.42 3ken s THR 306 Ca 0.57 1.02 -0.18 0.00 0.31 0.00 0.00 61.69 63.41 3ken s THR 306 Cb -0.28 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 3ken s THR 306 CO 0.70 0.23 1.29 -0.65 -0.69 0.00 0.00 174.62 175.50 3ken h PRO 307 N 3.45 -0.24 -5.17 4.92 0.11 -1.92 -3.40 132.00 129.75 3ken h PRO 307 Ca -0.48 0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.03 3ken h PRO 307 Cb 1.22 0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.25 3ken h PRO 307 CO 0.66 -0.16 -0.38 -1.58 -0.21 0.00 0.00 178.00 176.33 3ken s HIS 308 N -4.42 3.31 -0.31 0.65 5.65 -1.26 -5.06 115.29 113.85 3ken s HIS 308 Ca -0.08 0.35 -0.13 0.00 0.25 0.00 0.00 55.06 55.45 3ken s HIS 308 Cb 0.04 -2.40 -0.03 0.00 -1.18 0.00 0.00 32.58 29.01 3ken s HIS 308 CO 0.33 -0.03 0.28 0.08 -0.65 0.00 0.00 174.74 174.74 3ken s VAL 309 N 1.38 5.25 0.00 0.89 1.01 -1.26 -4.99 120.40 122.67 3ken s VAL 309 Ca 0.12 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 3ken s VAL 309 Cb -0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3ken s VAL 309 CO 0.07 0.08 0.58 -0.81 0.00 0.00 0.00 175.10 175.03 3ken n PRO 310 N 5.20 0.28 -0.24 2.72 -0.04 -1.26 -4.57 135.00 137.08 3ken n PRO 310 Ca -0.12 -0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.36 3ken n PRO 310 Cb 0.51 -1.39 0.16 0.00 -0.04 0.00 0.00 33.50 32.73 3ken n PRO 310 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3ken h TYR 311 N 3.41 0.39 0.00 0.54 0.05 -1.93 -1.35 116.97 118.08 3ken h TYR 311 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3ken h TYR 311 Cb 0.27 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3ken h TYR 311 CO 0.50 0.02 0.00 -2.13 -1.05 0.00 0.00 178.16 175.50 3ken n ARG 312 N -5.06 0.10 0.00 4.88 3.00 -1.26 -3.44 116.66 114.88 3ken n ARG 312 Ca 0.13 0.51 0.09 0.00 -0.00 0.00 0.00 57.85 58.58 3ken n ARG 312 Cb 0.39 -1.77 0.55 0.00 0.00 0.00 0.00 32.46 31.64 3ken n ARG 312 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3ken n GLU 313 N -1.97 0.96 -3.52 -0.14 1.02 -0.51 -4.83 120.64 111.65 3ken n GLU 313 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.98 3ken n GLU 313 Cb 0.09 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 3ken n GLU 313 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ken s SER 314 N -1.62 -0.61 0.34 1.62 1.04 -1.23 -4.86 113.70 108.39 3ken s SER 314 Ca 0.28 0.55 0.03 0.00 0.48 0.00 0.00 55.95 57.29 3ken s SER 314 Cb 0.13 0.53 0.60 0.00 0.10 0.00 0.00 66.02 67.38 3ken s SER 314 CO 0.21 -0.66 1.93 0.11 0.98 0.00 0.00 173.24 175.82 3ken h LYS 315 N 2.89 0.71 -0.23 4.02 1.79 -1.88 -2.79 116.57 121.07 3ken h LYS 315 Ca -0.28 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.03 3ken h LYS 315 Cb 1.17 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 3ken h LYS 315 CO 0.39 0.57 -0.10 1.25 -1.08 0.00 0.00 179.45 180.48 3ken h LEU 316 N 0.71 0.49 -0.46 2.94 5.85 -1.92 -2.88 115.31 120.04 3ken h LEU 316 Ca 0.17 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3ken h LEU 316 Cb 0.12 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ken h LEU 316 CO -0.02 0.79 0.00 0.35 -0.34 0.00 0.00 178.44 179.22 3ken n THR 317 N -4.52 0.75 0.11 1.05 -2.24 -1.16 -1.72 114.28 106.55 3ken n THR 317 Ca -0.04 0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.60 3ken n THR 317 Cb 0.33 -0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 67.44 3ken n THR 317 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3ken h ARG 318 N 0.00 0.42 -0.19 -0.78 3.08 -1.42 -1.46 114.38 114.03 3ken h ARG 318 Ca 0.00 -0.71 -0.16 0.00 0.07 0.00 0.00 59.98 59.18 3ken h ARG 318 Cb 0.47 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3ken h ARG 318 CO 0.00 1.33 -0.54 0.82 -1.07 0.00 0.00 179.97 180.50 3ken h ILE 319 N 0.11 1.32 -0.58 2.04 2.04 -1.28 -3.22 117.51 117.94 3ken h ILE 319 Ca -0.25 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 63.82 3ken h ILE 319 Cb 2.10 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 3ken h ILE 319 CO 0.23 0.56 0.00 0.18 0.00 0.00 0.00 178.15 179.11 3ken n LEU 320 N -3.96 3.53 -0.24 1.44 4.77 -0.70 -4.63 117.00 117.21 3ken n LEU 320 Ca -0.03 -1.69 0.03 0.00 -0.03 0.00 0.00 56.01 54.29 3ken n LEU 320 Cb 0.60 -0.38 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3ken n LEU 320 CO 0.47 0.84 0.79 -0.61 -1.33 0.00 0.00 177.39 177.55 3ken h GLN 321 N 4.09 0.06 0.00 3.23 4.15 -1.27 0.32 115.11 125.69 3ken h GLN 321 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ken h GLN 321 Cb 0.92 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.60 3ken h GLN 321 CO 0.00 0.04 0.00 0.22 -1.93 0.00 0.00 178.83 177.16 3ken h ASP 322 N 0.06 0.00 1.54 -0.69 3.58 -1.82 -2.46 116.42 116.64 3ken h ASP 322 Ca 0.37 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.79 3ken h ASP 322 Cb 0.61 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 3ken h ASP 322 CO -0.67 0.00 -0.47 0.28 -2.88 0.00 0.00 179.24 175.51 3ken h SER 323 N 0.00 0.00 -3.56 2.28 0.02 -0.68 -2.50 113.55 109.10 3ken h SER 323 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 3ken h SER 323 Cb 0.37 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.55 3ken h SER 323 CO 0.00 0.13 -0.20 -0.76 -1.14 0.00 0.00 176.83 174.86 3ken s LEU 324 N -5.99 5.43 0.00 5.07 1.43 -0.92 -4.57 118.68 119.12 3ken s LEU 324 Ca 0.04 -3.48 0.00 0.00 -1.03 0.00 0.00 54.13 49.65 3ken s LEU 324 Cb 0.07 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3ken s LEU 324 CO 0.73 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.69 3ken n GLY 325 N 2.64 0.83 0.00 -3.19 0.00 -1.26 -4.94 105.19 99.27 3ken n GLY 325 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ken n GLY 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ken n GLY 326 N -2.22 2.71 1.67 -0.02 0.00 -0.96 -4.69 105.19 101.67 3ken n GLY 326 Ca 0.00 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.27 3ken n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ken n ARG 327 N 0.00 4.06 -4.00 1.61 1.74 -1.11 -0.20 116.66 118.75 3ken n ARG 327 Ca 0.00 -2.87 -0.36 0.00 -0.77 0.00 0.00 57.85 53.85 3ken n ARG 327 Cb 0.00 -2.01 -0.07 0.00 -1.02 0.00 0.00 32.46 29.35 3ken n ARG 327 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ken s THR 328 N -2.15 5.18 -0.11 0.55 2.01 -1.10 -2.34 115.64 117.68 3ken s THR 328 Ca 0.51 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 3ken s THR 328 Cb 0.35 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 3ken s THR 328 CO 0.21 0.60 1.17 -0.13 -0.69 0.00 0.00 174.62 175.78 3ken s ARG 329 N -0.87 4.33 -0.02 4.92 0.52 0.03 -4.72 118.95 123.14 3ken s ARG 329 Ca 0.14 1.59 0.07 0.00 -0.52 0.00 0.00 55.73 57.01 3ken s ARG 329 Cb -0.12 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 3ken s ARG 329 CO 0.03 -0.50 -0.23 0.99 0.02 0.00 0.00 175.30 175.61 3ken s THR 330 N 2.57 1.78 0.01 0.02 2.01 -1.26 -0.31 115.64 120.46 3ken s THR 330 Ca 0.53 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.60 3ken s THR 330 Cb -0.22 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 3ken s THR 330 CO 0.18 0.50 -0.10 -0.44 -0.69 0.00 0.00 174.62 174.07 3ken s SER 331 N -0.54 1.15 -0.06 3.53 0.01 -0.17 -1.46 113.70 116.16 3ken s SER 331 Ca 0.09 -0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.13 3ken s SER 331 Cb -0.09 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 3ken s SER 331 CO -0.01 0.05 -0.24 -0.63 0.41 0.00 0.00 173.24 172.83 3ken s ILE 332 N -0.49 1.97 -0.30 1.44 1.01 0.11 -2.14 121.20 122.80 3ken s ILE 332 Ca 0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 3ken s ILE 332 Cb -0.05 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.78 3ken s ILE 332 CO 0.00 0.55 0.03 -0.63 0.00 0.00 0.00 174.94 174.89 3ken s ILE 333 N -0.11 3.42 -0.29 2.92 1.01 -0.41 -0.19 121.20 127.54 3ken s ILE 333 Ca -0.04 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.38 3ken s ILE 333 Cb -0.14 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 3ken s ILE 333 CO 0.04 -0.01 0.46 0.00 0.00 0.00 0.00 174.94 175.42 3ken s ALA 334 N 1.37 3.54 -0.08 9.38 0.00 0.11 -1.03 121.76 135.06 3ken s ALA 334 Ca -0.01 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 3ken s ALA 334 Cb -0.18 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 3ken s ALA 334 CO 0.00 -0.87 0.24 0.95 0.00 0.00 0.00 175.76 176.08 3ken s THR 335 N 2.23 5.32 0.06 0.00 -4.23 -0.30 0.05 115.64 118.78 3ken s THR 335 Ca 0.18 0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 61.10 3ken s THR 335 Cb -0.16 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 3ken s THR 335 CO 0.11 0.60 0.06 0.27 -0.54 0.00 0.00 174.62 175.11 3ken s ILE 336 N -1.00 0.18 0.22 2.99 -4.36 -0.71 -4.28 121.20 114.25 3ken s ILE 336 Ca 0.18 -1.49 -0.00 0.00 -0.26 0.00 0.00 60.65 59.08 3ken s ILE 336 Cb -0.14 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 3ken s ILE 336 CO 0.07 -0.82 0.41 -0.55 0.24 0.00 0.00 174.94 174.29 3ken s SER 337 N -2.76 6.37 0.00 4.36 0.15 -1.26 -2.14 113.70 118.42 3ken s SER 337 Ca 0.04 0.38 0.24 0.00 0.70 0.00 0.00 55.95 57.31 3ken s SER 337 Cb 0.05 -2.00 0.31 0.00 -1.71 0.00 0.00 66.02 62.67 3ken s SER 337 CO -0.09 -0.08 1.28 -0.81 1.20 0.00 0.00 173.24 174.73 3ken n PRO 338 N -0.86 0.11 -2.46 5.44 -0.04 -1.26 -4.91 135.00 131.02 3ken n PRO 338 Ca -0.05 -0.08 -0.40 0.00 -0.04 0.00 0.00 63.50 62.94 3ken n PRO 338 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 3ken n PRO 338 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ken s ALA 339 N -2.94 3.37 0.41 0.55 0.00 -1.26 -1.19 121.76 120.70 3ken s ALA 339 Ca 0.12 0.90 0.14 0.00 0.00 0.00 0.00 51.96 53.12 3ken s ALA 339 Cb 0.17 -3.33 1.00 0.00 0.00 0.00 0.00 23.12 20.97 3ken s ALA 339 CO 0.73 -0.20 1.91 1.03 0.00 0.00 0.00 175.76 179.23 3ken h SER 340 N 3.64 0.45 -0.41 0.00 0.87 -1.76 -1.70 113.55 114.63 3ken h SER 340 Ca -0.47 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3ken h SER 340 Cb 1.21 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 3ken h SER 340 CO 0.66 0.23 0.26 0.25 -0.53 0.00 0.00 176.83 177.70 3ken h LEU 341 N 0.47 0.49 -2.58 2.23 7.12 -1.92 -2.63 115.31 118.50 3ken h LEU 341 Ca 0.39 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.38 3ken h LEU 341 Cb 0.84 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 3ken h LEU 341 CO -0.14 0.37 0.00 0.59 -0.13 0.00 0.00 178.44 179.14 3ken n ASN 342 N -4.46 3.92 -0.39 1.25 4.13 -0.64 -4.70 115.26 114.38 3ken n ASN 342 Ca 0.03 -2.35 -0.06 0.00 1.68 0.00 0.00 54.58 53.88 3ken n ASN 342 Cb 0.07 -0.52 -0.04 0.00 -1.54 0.00 0.00 39.78 37.76 3ken n ASN 342 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3ken n LEU 343 N 0.88 -0.84 0.09 3.41 7.94 -0.99 -1.39 117.00 126.10 3ken n LEU 343 Ca 0.21 1.68 -0.12 0.00 -1.11 0.00 0.00 56.01 56.67 3ken n LEU 343 Cb 0.74 -0.29 -0.05 0.00 0.53 0.00 0.00 43.42 44.35 3ken n LEU 343 CO 0.19 -1.43 0.72 -0.08 -1.11 0.00 0.00 177.39 175.68 3ken h GLU 344 N 0.00 -0.38 -0.76 1.96 4.81 -1.87 -1.09 114.58 117.25 3ken h GLU 344 Ca 0.23 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3ken h GLU 344 Cb 0.47 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 3ken h GLU 344 CO -0.92 -0.25 0.47 0.93 -0.73 0.00 0.00 179.01 178.51 3ken h GLU 345 N -0.39 1.03 -0.65 1.92 4.39 -1.81 -0.60 114.58 118.47 3ken h GLU 345 Ca 0.04 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.67 3ken h GLU 345 Cb 0.43 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 3ken h GLU 345 CO -0.15 0.72 0.41 1.15 -1.16 0.00 0.00 179.01 179.98 3ken h THR 346 N 1.04 1.12 -0.68 1.13 2.02 -0.95 0.31 112.91 116.89 3ken h THR 346 Ca 0.27 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 3ken h THR 346 Cb -0.05 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 3ken h THR 346 CO -0.05 0.15 0.15 -0.07 0.37 0.00 0.00 175.52 176.07 3ken h LEU 347 N 0.82 1.04 -0.21 2.58 3.38 -0.80 -0.66 115.31 121.47 3ken h LEU 347 Ca 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ken h LEU 347 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3ken h LEU 347 CO -0.08 1.01 0.11 -1.28 0.09 0.00 0.00 178.44 178.29 3ken h SER 348 N 1.04 0.28 -0.31 -0.43 0.87 -0.10 -0.28 113.55 114.61 3ken h SER 348 Ca 0.21 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3ken h SER 348 Cb 0.39 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3ken h SER 348 CO 0.00 0.30 0.18 0.74 -0.53 0.00 0.00 176.83 177.53 3ken h THR 349 N 0.23 1.11 -0.28 2.23 2.02 -0.14 -1.27 112.91 116.81 3ken h THR 349 Ca 0.07 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3ken h THR 349 Cb 0.10 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3ken h THR 349 CO -0.01 0.11 0.17 -0.07 0.37 0.00 0.00 175.52 176.09 3ken h LEU 350 N 0.40 0.27 -0.45 2.58 3.38 -0.93 -1.14 115.31 119.42 3ken h LEU 350 Ca 0.11 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3ken h LEU 350 Cb 0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3ken h LEU 350 CO -0.02 0.20 0.26 -0.08 0.09 0.00 0.00 178.44 178.89 3ken h GLU 351 N 0.34 0.51 -0.23 1.13 4.57 -0.85 -0.33 114.58 119.73 3ken h GLU 351 Ca 0.11 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3ken h GLU 351 Cb -0.01 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3ken h GLU 351 CO -0.05 0.34 0.12 -0.92 -1.18 0.00 0.00 179.01 177.33 3ken h TYR 352 N 0.53 0.32 -0.10 0.92 5.03 -1.03 -2.44 116.97 120.19 3ken h TYR 352 Ca 0.18 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.37 3ken h TYR 352 Cb 0.02 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 3ken h TYR 352 CO -0.07 0.29 -0.44 0.00 -1.32 0.00 0.00 178.16 176.62 3ken h ALA 353 N 1.00 1.06 -0.25 1.82 0.00 -1.01 -2.95 119.26 118.94 3ken h ALA 353 Ca 0.08 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3ken h ALA 353 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ken h ALA 353 CO -0.01 0.61 -0.36 1.25 0.00 0.00 0.00 179.25 180.75 3ken h HIS 354 N 0.20 0.64 -0.64 0.00 -0.00 -0.89 -2.66 115.15 111.80 3ken h HIS 354 Ca 0.01 -0.17 -0.07 0.00 -0.00 0.00 0.00 60.37 60.15 3ken h HIS 354 Cb 0.87 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 3ken h HIS 354 CO 0.02 0.83 0.13 0.00 -0.00 0.00 0.00 177.93 178.90 3ken h ARG 355 N 0.46 1.02 -0.14 5.26 3.08 -1.34 -2.71 114.38 120.01 3ken h ARG 355 Ca 0.05 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 59.89 3ken h ARG 355 Cb 0.84 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3ken h ARG 355 CO 0.07 0.92 0.23 0.00 -1.07 0.00 0.00 179.97 180.12 3ken h ALA 356 N 1.16 1.62 0.00 0.04 0.00 -1.30 -1.25 119.26 119.53 3ken h ALA 356 Ca 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ken h ALA 356 Cb 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ken h ALA 356 CO 0.01 -0.30 -0.03 0.87 0.00 0.00 0.00 179.25 179.80 3ken h LYS 357 N 0.00 0.00 -0.00 0.00 1.57 -1.44 -1.85 116.57 114.85 3ken h LYS 357 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3ken h LYS 357 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3ken h LYS 357 CO -0.00 0.03 -0.07 0.09 -0.57 0.00 0.00 179.45 178.92 3ken n ASN 358 N -3.36 0.11 -4.72 0.86 3.02 -0.47 -4.43 115.26 106.27 3ken n ASN 358 Ca -0.02 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 3ken n ASN 358 Cb 0.14 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 3ken n ASN 358 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ken s ILE 359 N -2.84 3.64 -0.09 2.41 1.01 -0.69 -4.85 121.20 119.78 3ken s ILE 359 Ca 0.19 1.23 0.01 0.00 0.00 0.00 0.00 60.65 62.07 3ken s ILE 359 Cb 0.19 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 3ken s ILE 359 CO 0.53 0.13 -0.09 -0.76 0.00 0.00 0.00 174.94 174.74 3ken s LEU 360 N 0.69 3.01 0.31 2.97 1.43 -1.26 -1.62 118.68 124.21 3ken s LEU 360 Ca 0.59 -0.13 0.11 0.00 -1.03 0.00 0.00 54.13 53.67 3ken s LEU 360 Cb -0.33 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 3ken s LEU 360 CO 0.32 0.29 -0.15 0.20 0.23 0.00 0.00 176.35 177.24 3ken s ASN 361 N -0.41 3.64 -0.67 2.29 0.01 -1.26 -4.09 114.94 114.45 3ken s ASN 361 Ca 0.06 -1.11 0.05 0.00 -0.71 0.00 0.00 52.86 51.14 3ken s ASN 361 Cb -0.12 -0.32 0.18 0.00 0.41 0.00 0.00 41.25 41.40 3ken s ASN 361 CO 0.02 -0.08 0.52 0.29 -1.51 0.00 0.00 177.10 176.34 3ken n LYS 362 N -0.70 1.78 -1.63 -0.60 5.02 0.72 -3.76 118.16 118.98 3ken n LYS 362 Ca -0.05 -4.39 -0.48 0.00 -2.02 0.00 0.00 58.31 51.38 3ken n LYS 362 Cb 0.62 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 33.37 3ken n LYS 362 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3ken n PRO 363 N 1.87 1.68 -3.75 1.97 -0.02 -1.26 -4.10 135.00 131.38 3ken n PRO 363 Ca 0.22 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 62.18 3ken n PRO 363 Cb 0.37 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 3ken n PRO 363 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ken s GLU 364 N 0.14 0.17 0.71 -0.52 2.12 -0.99 -5.01 118.70 115.33 3ken s GLU 364 Ca 0.76 0.42 -0.15 0.00 0.36 0.00 0.00 54.97 56.35 3ken s GLU 364 Cb -0.77 -0.09 0.03 0.00 0.26 0.00 0.00 34.13 33.56 3ken s GLU 364 CO 0.46 -0.13 1.17 0.14 -0.54 0.00 0.00 175.26 176.36 3ken s VAL 365 N 0.97 2.62 -2.00 3.70 -7.23 -1.26 -4.58 120.40 112.62 3ken s VAL 365 Ca -0.07 0.30 0.22 0.00 -1.81 0.00 0.00 61.98 60.62 3ken s VAL 365 Cb -0.09 -2.85 0.63 0.00 0.56 0.00 0.00 36.38 34.64 3ken s VAL 365 CO -0.06 -0.17 1.70 0.59 -0.31 0.00 0.00 175.10 176.85