#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxp s PHE 12 N 0.00 3.00 -0.05 4.41 0.40 -1.26 -4.75 117.98 119.72 3kxp s PHE 12 Ca 0.00 -0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 55.61 3kxp s PHE 12 Cb 0.00 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 3kxp s PHE 12 CO 0.00 -0.26 0.48 0.96 0.70 0.00 0.00 175.22 177.10 3kxp s ILE 13 N 0.91 5.06 -0.07 0.64 -4.36 -1.00 -4.82 121.20 117.56 3kxp s ILE 13 Ca 0.00 0.98 -0.02 0.00 -0.26 0.00 0.00 60.65 61.36 3kxp s ILE 13 Cb -0.14 -3.81 -0.03 0.00 1.25 0.00 0.00 42.46 39.72 3kxp s ILE 13 CO 0.01 0.43 0.01 -0.44 0.24 0.00 0.00 174.94 175.20 3kxp s SER 14 N -0.13 5.31 -0.25 4.36 0.01 -1.26 -1.48 113.70 120.26 3kxp s SER 14 Ca 0.26 0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.41 3kxp s SER 14 Cb -0.16 -1.50 0.07 0.00 0.21 0.00 0.00 66.02 64.64 3kxp s SER 14 CO 0.13 0.36 0.73 0.00 0.41 0.00 0.00 173.24 174.88 3kxp s ARG 15 N -1.01 0.84 -0.14 12.44 1.70 -0.61 -4.96 118.95 127.21 3kxp s ARG 15 Ca 0.15 0.92 -0.29 0.00 -0.47 0.00 0.00 55.73 56.03 3kxp s ARG 15 Cb -0.11 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 3kxp s ARG 15 CO 0.04 -0.12 1.03 1.03 -1.08 0.00 0.00 175.30 176.20 3kxp s ARG 16 N 0.24 4.37 -0.32 3.89 0.52 -1.26 -1.67 118.95 124.72 3kxp s ARG 16 Ca -0.01 1.40 -0.10 0.00 -0.52 0.00 0.00 55.73 56.50 3kxp s ARG 16 Cb -0.05 -3.58 -0.00 0.00 0.52 0.00 0.00 34.95 31.85 3kxp s ARG 16 CO 0.01 -0.42 0.16 0.08 0.02 0.00 0.00 175.30 175.15 3kxp s VAL 17 N 2.41 4.60 -0.40 3.52 1.01 0.12 -4.91 120.40 126.75 3kxp s VAL 17 Ca 0.47 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3kxp s VAL 17 Cb -0.18 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3kxp s VAL 17 CO 0.14 0.01 1.25 -0.62 0.00 0.00 0.00 175.10 175.88 3kxp s ASP 18 N 1.60 6.59 -0.18 3.32 3.68 -1.26 -1.74 116.67 128.67 3kxp s ASP 18 Ca 0.04 0.82 0.16 0.00 2.13 0.00 0.00 52.55 55.70 3kxp s ASP 18 Cb -0.17 -2.54 0.70 0.00 -1.45 0.00 0.00 42.92 39.45 3kxp s ASP 18 CO 0.06 -1.22 1.62 2.30 0.13 0.00 0.00 175.17 178.06 3kxp n ILE 19 N 6.64 2.36 0.00 4.11 -5.35 -0.16 -4.99 119.36 121.97 3kxp n ILE 19 Ca 0.14 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 3kxp n ILE 19 Cb 0.48 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 3kxp n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kxp n GLY 20 N 0.42 1.91 0.33 3.28 0.00 -1.26 -4.57 105.19 105.30 3kxp n GLY 20 Ca 0.25 -0.51 0.19 0.00 0.00 0.00 0.00 46.02 45.95 3kxp n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kxp h ARG 21 N 0.00 0.00 -1.23 1.61 0.11 -2.00 -3.45 114.38 109.42 3kxp h ARG 21 Ca 0.00 0.00 0.36 0.00 0.10 0.00 0.00 59.98 60.44 3kxp h ARG 21 Cb 0.00 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 30.95 3kxp h ARG 21 CO 0.00 0.00 0.91 -1.50 0.10 0.00 0.00 179.97 179.48 3kxp s ILE 22 N -4.28 0.00 -0.13 0.08 2.07 -1.26 -5.15 121.20 112.52 3kxp s ILE 22 Ca -0.05 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 3kxp s ILE 22 Cb 0.13 -1.98 0.01 0.00 0.13 0.00 0.00 42.46 40.75 3kxp s ILE 22 CO 0.42 0.00 -0.20 0.42 -1.91 0.00 0.00 174.94 173.66 3kxp s THR 23 N -2.22 1.92 -0.08 4.00 -4.23 -1.26 -0.99 115.64 112.78 3kxp s THR 23 Ca 0.14 -0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3kxp s THR 23 Cb 0.06 -1.71 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 3kxp s THR 23 CO -0.05 0.52 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.75 3kxp s LEU 24 N 0.85 3.34 0.37 4.79 1.43 -0.71 -1.68 118.68 127.06 3kxp s LEU 24 Ca -0.07 0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 3kxp s LEU 24 Cb -0.15 -1.75 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 3kxp s LEU 24 CO -0.02 0.35 0.95 0.21 0.23 0.00 0.00 176.35 178.08 3kxp s ASN 25 N -0.75 7.16 0.01 2.29 2.47 -1.26 0.12 114.94 124.98 3kxp s ASN 25 Ca 0.11 1.79 -0.06 0.00 0.42 0.00 0.00 52.86 55.13 3kxp s ASN 25 Cb -0.11 -2.56 -0.00 0.00 -1.45 0.00 0.00 41.25 37.12 3kxp s ASN 25 CO 0.02 -0.20 0.10 -0.69 -3.72 0.00 0.00 177.10 172.61 3kxp s VAL 26 N -1.83 0.09 -0.19 -5.21 1.01 -0.67 -2.05 120.40 111.56 3kxp s VAL 26 Ca 0.55 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3kxp s VAL 26 Cb -0.15 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 3kxp s VAL 26 CO 0.20 -0.43 -0.08 -0.13 0.00 0.00 0.00 175.10 174.66 3kxp s ARG 27 N -1.52 3.37 0.11 2.72 0.52 -0.11 -1.58 118.95 122.46 3kxp s ARG 27 Ca -0.14 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 54.49 3kxp s ARG 27 Cb -0.08 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 3kxp s ARG 27 CO 0.01 -0.05 -0.19 -2.00 0.02 0.00 0.00 175.30 173.08 3kxp s GLU 28 N 1.06 1.09 -0.17 3.54 2.12 -0.55 -1.28 118.70 124.51 3kxp s GLU 28 Ca 0.00 -1.16 -0.31 0.00 0.36 0.00 0.00 54.97 53.86 3kxp s GLU 28 Cb -0.15 -1.28 0.14 0.00 0.26 0.00 0.00 34.13 33.10 3kxp s GLU 28 CO -0.01 0.29 1.09 0.21 -0.54 0.00 0.00 175.26 176.30 3kxp s LYS 29 N -2.02 0.47 0.59 4.30 2.20 -0.97 -2.36 119.74 121.94 3kxp s LYS 29 Ca 0.06 -0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 3kxp s LYS 29 Cb -0.09 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 3kxp s LYS 29 CO 0.04 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 3kxp n GLY 30 N 0.36 -2.15 3.24 5.54 0.00 -1.26 -1.30 105.19 109.63 3kxp n GLY 30 Ca -0.06 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 3kxp n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxp s SER 31 N -3.54 0.03 0.00 1.61 1.04 -1.01 -4.66 113.70 107.18 3kxp s SER 31 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3kxp s SER 31 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3kxp s SER 31 CO 0.00 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3kxp n GLY 32 N -0.11 -0.78 3.59 7.32 0.00 -1.26 -2.01 105.19 111.94 3kxp n GLY 32 Ca -0.15 -2.17 -0.47 0.00 0.00 0.00 0.00 46.02 43.23 3kxp n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kxp n PRO 33 N 0.00 1.34 -0.96 1.61 -0.02 -1.26 -3.18 135.00 132.53 3kxp n PRO 33 Ca 0.00 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 3kxp n PRO 33 Cb 0.00 -1.96 0.25 0.00 -0.02 0.00 0.00 33.50 31.77 3kxp n PRO 33 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kxp s LEU 34 N 0.53 0.38 -0.28 2.45 2.96 -1.26 -1.50 118.68 121.95 3kxp s LEU 34 Ca 0.68 0.65 -0.24 0.00 -0.22 0.00 0.00 54.13 55.00 3kxp s LEU 34 Cb -0.78 -2.31 0.13 0.00 0.50 0.00 0.00 46.19 43.73 3kxp s LEU 34 CO 0.54 -4.37 1.07 -0.76 -1.32 0.00 0.00 176.35 171.51 3kxp s LEU 36 N -7.11 -0.42 -0.11 -0.68 1.43 0.39 -1.48 118.68 110.70 3kxp s LEU 36 Ca 0.71 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 3kxp s LEU 36 Cb -0.10 1.79 -0.00 0.00 0.03 0.00 0.00 46.19 47.91 3kxp s LEU 36 CO 0.56 -0.13 -0.21 -0.36 0.23 0.00 0.00 176.35 176.44 3kxp s PHE 37 N 0.32 2.64 -0.16 0.29 0.40 0.57 -0.12 117.98 121.91 3kxp s PHE 37 Ca 0.02 -0.92 0.01 0.00 -0.60 0.00 0.00 56.93 55.44 3kxp s PHE 37 Cb -0.05 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.75 3kxp s PHE 37 CO -0.08 -0.35 -0.18 -0.06 0.70 0.00 0.00 175.22 175.25 3kxp s PHE 38 N 0.34 2.54 1.10 0.36 0.40 0.24 -1.62 117.98 121.34 3kxp s PHE 38 Ca -0.16 -1.46 -0.15 0.00 -0.60 0.00 0.00 56.93 54.55 3kxp s PHE 38 Cb -0.17 -1.79 0.24 0.00 0.51 0.00 0.00 43.02 41.81 3kxp s PHE 38 CO 0.08 -0.74 1.10 -3.38 0.70 0.00 0.00 175.22 172.98 3kxp s HIS 39 N 1.32 1.36 0.70 0.36 -3.43 -1.26 -0.63 115.29 113.72 3kxp s HIS 39 Ca 0.04 0.77 -0.03 0.00 -0.80 0.00 0.00 55.06 55.04 3kxp s HIS 39 Cb -0.13 -3.34 0.10 0.00 -1.43 0.00 0.00 32.58 27.78 3kxp s HIS 39 CO -0.11 -3.40 0.98 0.20 -2.00 0.00 0.00 174.74 170.41 3kxp s GLY 40 N -3.60 1.76 0.32 -1.38 0.00 -1.19 -2.03 107.32 101.21 3kxp s GLY 40 Ca 0.68 -1.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 3kxp s GLY 40 CO 0.57 -0.91 1.46 4.51 0.00 0.00 0.00 173.10 178.74 3kxp n ILE 41 N -2.84 1.54 -0.36 0.90 3.06 -1.26 -1.83 119.36 118.56 3kxp n ILE 41 Ca 0.12 -0.38 0.00 0.00 -2.50 0.00 0.00 62.75 59.98 3kxp n ILE 41 Cb 0.60 -1.80 0.00 0.00 0.54 0.00 0.00 39.64 38.99 3kxp n ILE 41 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3kxp n THR 42 N 1.16 0.00 -2.15 9.51 -2.24 -1.26 -4.98 114.28 114.33 3kxp n THR 42 Ca 0.06 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 3kxp n THR 42 Cb 0.36 -0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.53 3kxp n THR 42 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kxp n SER 43 N 0.00 0.33 -3.58 3.42 2.88 -0.76 -4.87 113.62 111.04 3kxp n SER 43 Ca 0.00 -1.30 -0.11 0.00 -1.33 0.00 0.00 58.87 56.13 3kxp n SER 43 Cb 0.00 -0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 63.21 3kxp n SER 43 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kxp s ASN 44 N -2.26 0.30 0.39 -3.46 2.20 -1.26 -4.46 114.94 106.38 3kxp s ASN 44 Ca 0.20 -1.17 0.08 0.00 -0.94 0.00 0.00 52.86 51.03 3kxp s ASN 44 Cb -0.01 0.65 0.83 0.00 -2.00 0.00 0.00 41.25 40.71 3kxp s ASN 44 CO 0.14 -1.27 1.99 0.77 -2.94 0.00 0.00 177.10 175.79 3kxp h SER 45 N 2.17 0.56 -0.16 3.54 4.64 -1.91 -3.00 113.55 119.39 3kxp h SER 45 Ca -0.28 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 3kxp h SER 45 Cb 1.25 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3kxp h SER 45 CO 0.38 0.37 0.41 0.00 -0.87 0.00 0.00 176.83 177.11 3kxp h ALA 46 N 1.66 1.66 0.00 5.18 0.00 -1.94 -0.45 119.26 125.37 3kxp h ALA 46 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kxp h ALA 46 Cb 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kxp h ALA 46 CO -0.08 -0.49 -0.02 -0.39 0.00 0.00 0.00 179.25 178.27 3kxp h VAL 47 N 0.00 0.06 -0.02 0.00 -1.51 -1.86 -2.77 116.25 110.15 3kxp h VAL 47 Ca 0.08 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3kxp h VAL 47 Cb 0.90 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3kxp h VAL 47 CO -0.00 0.02 -0.02 0.49 -1.23 0.00 0.00 177.57 176.83 3kxp n PHE 48 N -3.13 0.00 -0.33 5.19 3.01 -0.18 -4.39 117.46 117.63 3kxp n PHE 48 Ca -0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 3kxp n PHE 48 Cb 0.26 -0.01 0.09 0.00 -0.01 0.00 0.00 39.48 39.81 3kxp n PHE 48 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3kxp h GLU 49 N 2.78 1.20 0.00 -1.08 5.08 -1.63 -2.62 114.58 118.30 3kxp h GLU 49 Ca 0.00 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3kxp h GLU 49 Cb 0.60 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3kxp h GLU 49 CO 0.00 0.84 -0.16 -1.35 -1.00 0.00 0.00 179.01 177.34 3kxp h PRO 50 N 1.22 0.00 -0.99 2.33 0.11 -1.82 -2.80 132.00 130.05 3kxp h PRO 50 Ca 0.32 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.36 3kxp h PRO 50 Cb -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.01 3kxp h PRO 50 CO -0.06 0.16 0.08 -0.11 -0.21 0.00 0.00 178.00 177.86 3kxp n LEU 51 N -4.09 3.26 0.00 2.35 7.94 -0.99 -4.22 117.00 121.25 3kxp n LEU 51 Ca -0.02 -1.66 0.00 0.00 -1.11 0.00 0.00 56.01 53.22 3kxp n LEU 51 Cb 0.24 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 43.64 3kxp n LEU 51 CO 0.34 0.54 0.00 -0.38 -1.11 0.00 0.00 177.39 176.78 3kxp n ILE 53 N 0.22 0.00 1.29 1.96 5.41 -1.06 -3.55 119.36 123.64 3kxp n ILE 53 Ca 0.08 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.98 3kxp n ILE 53 Cb 0.63 0.00 0.71 0.00 -0.71 0.00 0.00 39.64 40.27 3kxp n ILE 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3kxp n ARG 54 N 0.00 0.32 0.00 0.38 5.12 -1.26 -3.53 116.66 117.69 3kxp n ARG 54 Ca 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 3kxp n ARG 54 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 3kxp n ARG 54 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kxp n LEU 55 N -1.33 0.59 0.29 0.55 4.77 -1.23 -4.80 117.00 115.84 3kxp n LEU 55 Ca 0.12 -0.59 0.15 0.00 -0.03 0.00 0.00 56.01 55.66 3kxp n LEU 55 Cb 0.26 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.24 3kxp n LEU 55 CO 0.23 0.15 1.09 0.28 -1.33 0.00 0.00 177.39 177.81 3kxp h SER 56 N 0.00 0.00 1.08 -1.43 0.02 -1.77 -0.96 113.55 110.49 3kxp h SER 56 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kxp h SER 56 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3kxp h SER 56 CO 0.00 0.04 -0.11 -0.90 -1.14 0.00 0.00 176.83 174.72 3kxp n ASP 57 N -3.69 0.37 0.00 3.07 3.85 -1.26 -3.24 116.55 115.65 3kxp n ASP 57 Ca -0.03 0.41 0.00 0.00 -0.71 0.00 0.00 54.79 54.46 3kxp n ASP 57 Cb 0.13 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.45 3kxp n ASP 57 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3kxp n ARG 58 N -1.79 2.47 -4.20 0.11 1.74 -0.95 -4.85 116.66 109.19 3kxp n ARG 58 Ca 0.06 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 3kxp n ARG 58 Cb 0.38 -0.75 -0.10 0.00 -1.02 0.00 0.00 32.46 30.97 3kxp n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kxp s PHE 59 N -1.34 1.03 -0.85 -1.55 0.40 -0.41 -4.14 117.98 111.13 3kxp s PHE 59 Ca 0.00 -0.93 -0.17 0.00 -0.60 0.00 0.00 56.93 55.22 3kxp s PHE 59 Cb 0.00 -0.58 0.16 0.00 0.51 0.00 0.00 43.02 43.10 3kxp s PHE 59 CO 0.00 -0.15 0.96 0.99 0.70 0.00 0.00 175.22 177.72 3kxp s THR 60 N -3.61 5.02 -0.13 0.64 2.01 -0.56 -2.39 115.64 116.62 3kxp s THR 60 Ca 0.16 -1.77 -0.27 0.00 0.31 0.00 0.00 61.69 60.12 3kxp s THR 60 Cb 0.05 -4.64 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 3kxp s THR 60 CO -0.01 -1.31 0.89 0.42 -0.69 0.00 0.00 174.62 173.92 3kxp s THR 61 N 1.90 4.86 -0.07 -0.82 -4.23 -0.42 -4.39 115.64 112.47 3kxp s THR 61 Ca 0.25 1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 62.55 3kxp s THR 61 Cb -0.09 -4.21 0.02 0.00 1.34 0.00 0.00 72.50 69.57 3kxp s THR 61 CO -0.07 0.05 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.39 3kxp s ILE 62 N 1.90 0.64 -0.16 2.99 1.01 -1.26 -2.30 121.20 124.02 3kxp s ILE 62 Ca 0.43 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 3kxp s ILE 62 Cb -0.18 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3kxp s ILE 62 CO 0.16 0.29 0.08 0.00 0.00 0.00 0.00 174.94 175.47 3kxp s ALA 63 N 1.53 3.55 -0.10 9.38 0.00 -0.41 -0.32 121.76 135.39 3kxp s ALA 63 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3kxp s ALA 63 Cb -0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 3kxp s ALA 63 CO -0.04 0.33 -0.11 0.08 0.00 0.00 0.00 175.76 176.02 3kxp s VAL 64 N -0.11 3.28 -0.36 0.00 1.01 -0.64 -0.93 120.40 122.65 3kxp s VAL 64 Ca 0.08 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 3kxp s VAL 64 Cb -0.12 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3kxp s VAL 64 CO 0.01 0.55 0.88 -1.81 0.00 0.00 0.00 175.10 174.73 3kxp s ASP 65 N -0.19 6.65 0.69 3.32 -0.00 -0.87 -4.27 116.67 122.00 3kxp s ASP 65 Ca 0.01 0.55 -0.11 0.00 -0.00 0.00 0.00 52.55 52.99 3kxp s ASP 65 Cb -0.13 -2.44 0.00 0.00 -0.00 0.00 0.00 42.92 40.35 3kxp s ASP 65 CO 0.03 -0.80 1.06 -1.10 -0.00 0.00 0.00 175.17 174.36 3kxp s GLN 66 N 3.33 2.99 0.20 8.23 -0.21 -1.26 -4.24 119.66 128.70 3kxp s GLN 66 Ca 0.36 0.74 -0.30 0.00 0.02 0.00 0.00 55.36 56.18 3kxp s GLN 66 Cb -0.12 -2.01 -0.16 0.00 1.00 0.00 0.00 33.01 31.71 3kxp s GLN 66 CO 0.17 -1.01 0.78 2.89 -2.12 0.00 0.00 175.29 176.01 3kxp n ARG 67 N -3.04 0.50 0.00 2.91 1.85 -1.26 -0.43 116.66 117.19 3kxp n ARG 67 Ca 0.07 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 3kxp n ARG 67 Cb 0.55 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.58 3kxp n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kxp n GLY 68 N 1.75 2.63 3.72 2.89 0.00 -0.28 -5.01 105.19 110.89 3kxp n GLY 68 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3kxp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kxp s HIS 69 N -2.58 2.61 0.00 1.61 3.76 0.42 -2.09 115.29 119.02 3kxp s HIS 69 Ca 0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 3kxp s HIS 69 Cb 0.00 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.85 3kxp s HIS 69 CO 0.00 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.56 3kxp n GLY 70 N -1.18 2.11 0.55 -2.22 0.00 -1.26 -1.63 105.19 101.56 3kxp n GLY 70 Ca -0.02 0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.49 3kxp n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxp n LEU 71 N 0.00 3.05 -4.99 0.99 4.77 -1.26 -4.66 117.00 114.90 3kxp n LEU 71 Ca 0.00 -3.39 -0.24 0.00 -0.03 0.00 0.00 56.01 52.35 3kxp n LEU 71 Cb 0.00 -0.51 0.11 0.00 -2.33 0.00 0.00 43.42 40.69 3kxp n LEU 71 CO 0.00 0.96 0.56 -0.44 -1.33 0.00 0.00 177.39 177.15 3kxp s SER 72 N -2.72 4.31 0.61 -1.43 0.01 -0.64 -4.33 113.70 109.50 3kxp s SER 72 Ca 0.38 -0.31 -0.17 0.00 1.31 0.00 0.00 55.95 57.15 3kxp s SER 72 Cb 0.34 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 3kxp s SER 72 CO 0.01 -1.89 1.15 -1.81 0.41 0.00 0.00 173.24 171.11 3kxp s ASP 73 N -4.74 5.25 -0.49 2.44 1.01 -0.68 -4.72 116.67 114.75 3kxp s ASP 73 Ca 0.66 2.19 0.05 0.00 0.71 0.00 0.00 52.55 56.16 3kxp s ASP 73 Cb -0.05 -2.58 0.19 0.00 1.01 0.00 0.00 42.92 41.49 3kxp s ASP 73 CO 0.45 -1.54 0.44 0.29 0.21 0.00 0.00 175.17 175.02 3kxp n LYS 74 N -1.87 0.86 -0.95 8.23 5.02 -1.26 -1.13 118.16 127.06 3kxp n LYS 74 Ca 0.12 -3.61 -0.31 0.00 -2.02 0.00 0.00 58.31 52.49 3kxp n LYS 74 Cb 0.51 -1.78 0.14 0.00 -0.02 0.00 0.00 35.03 33.88 3kxp n LYS 74 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kxp s PRO 75 N -0.73 1.44 0.22 1.97 0.04 -1.26 -4.93 135.00 131.75 3kxp s PRO 75 Ca 0.32 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.60 3kxp s PRO 75 Cb 0.05 -1.79 0.30 0.00 0.04 0.00 0.00 34.50 33.10 3kxp s PRO 75 CO -0.16 -2.26 1.81 1.49 0.04 0.00 0.00 177.00 177.92 3kxp h GLU 76 N -1.59 0.70 -4.33 4.56 4.81 -2.02 -3.46 114.58 113.25 3kxp h GLU 76 Ca -0.45 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 58.42 3kxp h GLU 76 Cb 1.26 -0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.38 3kxp h GLU 76 CO 0.47 0.47 -0.28 -0.08 -0.73 0.00 0.00 179.01 178.86 3kxp s THR 77 N -6.07 0.00 0.00 0.32 -1.32 -1.26 -4.84 115.64 102.47 3kxp s THR 77 Ca -0.13 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 3kxp s THR 77 Cb 0.17 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 3kxp s THR 77 CO 0.77 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.79 3kxp n GLY 78 N -0.57 0.88 1.46 6.08 0.00 -1.26 -5.06 105.19 106.72 3kxp n GLY 78 Ca 0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 3kxp n GLY 78 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kxp n TYR 79 N -0.08 1.10 -2.57 1.61 4.02 -1.26 -4.76 117.16 115.21 3kxp n TYR 79 Ca 0.00 -1.69 -0.22 0.00 -0.01 0.00 0.00 57.90 55.97 3kxp n TYR 79 Cb 0.03 -0.27 0.06 0.00 -0.02 0.00 0.00 39.34 39.15 3kxp n TYR 79 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3kxp s GLU 80 N -3.01 2.21 0.16 -0.72 0.41 -1.26 -4.29 118.70 112.20 3kxp s GLU 80 Ca 0.41 -0.84 -0.17 0.00 -0.41 0.00 0.00 54.97 53.95 3kxp s GLU 80 Cb 0.38 -2.40 0.07 0.00 -1.78 0.00 0.00 34.13 30.40 3kxp s GLU 80 CO -0.04 -1.02 1.68 0.00 -0.49 0.00 0.00 175.26 175.39 3kxp h ALA 81 N -0.21 0.26 0.00 5.21 0.00 -1.97 -1.87 119.26 120.68 3kxp h ALA 81 Ca -0.40 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3kxp h ALA 81 Cb 1.29 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3kxp h ALA 81 CO 0.49 -0.44 -0.08 -2.95 0.00 0.00 0.00 179.25 176.27 3kxp h ASN 82 N 0.02 0.00 -0.29 0.00 -1.07 -1.97 0.86 115.58 113.14 3kxp h ASN 82 Ca 0.17 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.42 3kxp h ASN 82 Cb 0.26 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.50 3kxp h ASN 82 CO -0.35 0.08 -0.30 0.44 0.07 0.00 0.00 177.43 177.37 3kxp h ASP 83 N 0.00 0.76 -0.28 6.14 3.32 -1.67 -0.71 116.42 123.99 3kxp h ASP 83 Ca -0.00 -0.48 -0.17 0.00 0.02 0.00 0.00 57.03 56.41 3kxp h ASP 83 Cb 0.14 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3kxp h ASP 83 CO 0.01 1.08 -0.46 1.88 -1.72 0.00 0.00 179.24 180.04 3kxp h TYR 84 N 0.45 1.04 -0.27 4.55 -1.99 -1.05 -2.80 116.97 116.90 3kxp h TYR 84 Ca 0.04 -0.33 -0.01 0.00 2.00 0.00 0.00 58.73 60.43 3kxp h TYR 84 Cb 0.87 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 3kxp h TYR 84 CO 0.07 1.14 0.11 0.00 -0.00 0.00 0.00 178.16 179.49 3kxp h ALA 85 N 0.80 0.35 -0.18 3.88 0.00 -0.78 -2.18 119.26 121.15 3kxp h ALA 85 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 85 Cb 1.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3kxp h ALA 85 CO 0.10 -0.07 0.00 -0.44 0.00 0.00 0.00 179.25 178.85 3kxp h ASP 86 N 0.28 0.23 -0.49 0.00 3.32 -1.14 -1.01 116.42 117.61 3kxp h ASP 86 Ca 0.09 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3kxp h ASP 86 Cb 0.17 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3kxp h ASP 86 CO -0.01 0.27 0.26 0.44 -1.72 0.00 0.00 179.24 178.48 3kxp h ASP 87 N 0.25 0.62 -0.58 6.45 3.45 -1.16 0.26 116.42 125.71 3kxp h ASP 87 Ca 0.06 -0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.40 3kxp h ASP 87 Cb 0.17 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 3kxp h ASP 87 CO 0.00 0.55 0.30 0.40 -1.57 0.00 0.00 179.24 178.92 3kxp h ILE 88 N 0.65 1.20 -0.54 0.35 2.04 -0.62 -1.14 117.51 119.45 3kxp h ILE 88 Ca 0.17 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3kxp h ILE 88 Cb 0.08 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3kxp h ILE 88 CO -0.03 0.22 0.27 0.00 0.00 0.00 0.00 178.15 178.62 3kxp h ALA 89 N 1.13 0.70 -0.45 1.87 0.00 -0.84 -2.21 119.26 119.46 3kxp h ALA 89 Ca 0.20 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3kxp h ALA 89 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kxp h ALA 89 CO -0.03 0.25 0.04 0.78 0.00 0.00 0.00 179.25 180.29 3kxp h GLY 90 N 0.73 0.77 1.09 0.00 0.00 -0.66 -2.45 103.07 102.54 3kxp h GLY 90 Ca 0.19 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3kxp h GLY 90 CO -0.03 0.44 -0.10 -2.00 0.00 0.00 0.00 176.54 174.86 3kxp h LEU 91 N 0.68 1.03 -0.63 3.11 7.12 -0.95 -0.52 115.31 125.15 3kxp h LEU 91 Ca 0.14 -0.35 -0.03 0.00 0.13 0.00 0.00 57.88 57.78 3kxp h LEU 91 Cb 0.36 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.19 3kxp h LEU 91 CO 0.01 1.13 0.27 0.40 -0.13 0.00 0.00 178.44 180.13 3kxp h ILE 92 N 0.91 1.23 -0.21 4.05 2.04 -1.14 0.51 117.51 124.90 3kxp h ILE 92 Ca 0.14 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 3kxp h ILE 92 Cb 0.66 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3kxp h ILE 92 CO 0.05 0.27 -0.16 0.03 0.00 0.00 0.00 178.15 178.34 3kxp h ARG 93 N 0.87 0.47 -0.69 2.37 3.08 -1.32 -2.79 114.38 116.38 3kxp h ARG 93 Ca 0.21 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3kxp h ARG 93 Cb 0.17 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3kxp h ARG 93 CO -0.02 0.79 0.36 1.15 -1.07 0.00 0.00 179.97 181.18 3kxp h THR 94 N 0.16 1.22 -0.67 2.04 2.02 -0.89 -2.62 112.91 114.17 3kxp h THR 94 Ca 0.04 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 3kxp h THR 94 Cb 0.68 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3kxp h THR 94 CO 0.04 0.25 0.30 -0.07 0.37 0.00 0.00 175.52 176.41 3kxp h LEU 95 N 0.94 0.88 -2.32 2.58 3.38 -0.92 -3.47 115.31 116.38 3kxp h LEU 95 Ca 0.24 -0.11 -0.33 0.00 0.09 0.00 0.00 57.88 57.78 3kxp h LEU 95 Cb 0.07 -0.23 0.15 0.00 0.09 0.00 0.00 40.66 40.75 3kxp h LEU 95 CO -0.04 0.76 -0.85 0.00 0.09 0.00 0.00 178.44 178.41 3kxp n ALA 96 N -2.44 -2.33 -2.34 1.53 0.00 -0.99 -4.94 120.51 109.00 3kxp n ALA 96 Ca 0.06 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.50 3kxp n ALA 96 Cb 0.15 -4.20 0.07 0.00 0.00 0.00 0.00 19.45 15.47 3kxp n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kxp n ARG 97 N -3.75 0.91 0.00 0.00 1.74 -1.26 -5.12 116.66 109.17 3kxp n ARG 97 Ca -0.16 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.22 3kxp n ARG 97 Cb 0.63 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 3kxp n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kxp n GLY 98 N -0.13 -1.00 3.74 -0.13 0.00 -1.26 -4.40 105.19 102.00 3kxp n GLY 98 Ca 0.12 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 3kxp n GLY 98 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kxp s HIS 99 N -1.13 2.17 0.15 1.61 -3.43 -1.26 -4.89 115.29 108.50 3kxp s HIS 99 Ca 0.00 1.52 0.08 0.00 -0.80 0.00 0.00 55.06 55.86 3kxp s HIS 99 Cb 0.00 -3.58 -0.04 0.00 -1.43 0.00 0.00 32.58 27.53 3kxp s HIS 99 CO 0.00 -2.63 -0.06 0.00 -2.00 0.00 0.00 174.74 170.04 3kxp s ALA 100 N -1.59 3.05 -0.13 -1.38 0.00 -0.59 -4.38 121.76 116.73 3kxp s ALA 100 Ca 0.79 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 3kxp s ALA 100 Cb -0.33 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 3kxp s ALA 100 CO 0.39 0.54 0.36 0.42 0.00 0.00 0.00 175.76 177.47 3kxp s ILE 101 N -1.54 5.25 -0.18 0.00 1.01 -0.55 -0.24 121.20 124.96 3kxp s ILE 101 Ca 0.25 0.70 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 3kxp s ILE 101 Cb -0.10 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3kxp s ILE 101 CO 0.16 0.38 -0.00 -0.76 0.00 0.00 0.00 174.94 174.72 3kxp s LEU 102 N 0.39 3.36 -0.26 2.97 1.43 -0.00 -0.46 118.68 126.10 3kxp s LEU 102 Ca 0.20 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3kxp s LEU 102 Cb -0.14 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.31 3kxp s LEU 102 CO 0.07 0.13 -0.09 -0.69 0.23 0.00 0.00 176.35 176.00 3kxp s VAL 103 N 0.61 2.09 0.07 -1.59 1.01 0.82 0.19 120.40 123.61 3kxp s VAL 103 Ca -0.01 -1.64 0.07 0.00 0.00 0.00 0.00 61.98 60.40 3kxp s VAL 103 Cb -0.14 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3kxp s VAL 103 CO 0.02 -0.09 -0.19 -0.83 0.00 0.00 0.00 175.10 174.01 3kxp s GLY 104 N 1.12 1.08 -0.16 4.51 0.00 -0.75 -0.59 107.32 112.53 3kxp s GLY 104 Ca -0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 3kxp s GLY 104 CO -0.06 -1.07 -0.12 -1.58 0.00 0.00 0.00 173.10 170.27 3kxp s HIS 105 N -1.02 2.84 0.00 1.90 5.65 0.20 -0.75 115.29 124.11 3kxp s HIS 105 Ca 0.05 -0.93 0.00 0.00 0.25 0.00 0.00 55.06 54.43 3kxp s HIS 105 Cb -0.09 -1.93 0.00 0.00 -1.18 0.00 0.00 32.58 29.38 3kxp s HIS 105 CO 0.03 -0.43 0.00 0.45 -0.65 0.00 0.00 174.74 174.14 3kxp n SER 106 N 4.11 0.00 -0.28 9.88 2.88 0.41 -0.08 113.62 130.54 3kxp n SER 106 Ca -0.19 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 3kxp n SER 106 Cb 0.52 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.23 3kxp n SER 106 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3kxp h LEU 107 N 0.00 0.07 -0.92 2.46 5.85 -1.89 0.22 115.31 121.10 3kxp h LEU 107 Ca 0.00 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kxp h LEU 107 Cb 0.00 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3kxp h LEU 107 CO 0.00 -0.08 0.53 1.23 -0.34 0.00 0.00 178.44 179.78 3kxp h GLY 108 N 0.27 1.35 1.10 3.75 0.00 0.13 -0.17 103.07 109.49 3kxp h GLY 108 Ca 0.51 -0.59 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 3kxp h GLY 108 CO -0.58 0.56 -0.05 0.00 0.00 0.00 0.00 176.54 176.47 3kxp h ALA 109 N 1.29 0.80 -0.42 3.60 0.00 -0.73 -1.37 119.26 122.43 3kxp h ALA 109 Ca 0.33 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kxp h ALA 109 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kxp h ALA 109 CO -0.06 0.68 0.13 -0.09 0.00 0.00 0.00 179.25 179.91 3kxp h ARG 110 N 0.96 0.66 -0.42 0.00 1.12 -0.29 -2.20 114.38 114.21 3kxp h ARG 110 Ca 0.16 -0.14 -0.07 0.00 -1.11 0.00 0.00 59.98 58.82 3kxp h ARG 110 Cb 0.62 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.47 3kxp h ARG 110 CO 0.04 0.64 -0.03 -0.91 -3.11 0.00 0.00 179.97 176.61 3kxp h ASN 111 N 0.54 0.65 -0.16 -3.80 2.35 -0.93 -2.99 115.58 111.25 3kxp h ASN 111 Ca 0.14 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3kxp h ASN 111 Cb 0.26 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3kxp h ASN 111 CO -0.00 0.74 -0.10 0.28 -1.65 0.00 0.00 177.43 176.69 3kxp h SER 112 N 0.64 0.37 0.32 5.81 0.02 -0.98 -1.49 113.55 118.24 3kxp h SER 112 Ca 0.13 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.56 3kxp h SER 112 Cb 0.44 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3kxp h SER 112 CO 0.02 0.73 -0.36 0.58 -1.14 0.00 0.00 176.83 176.66 3kxp h VAL 113 N 0.01 1.27 -0.28 2.27 2.07 -1.45 -0.87 116.25 119.26 3kxp h VAL 113 Ca 0.03 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 3kxp h VAL 113 Cb 0.60 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3kxp h VAL 113 CO 0.03 0.37 -0.06 0.74 0.02 0.00 0.00 177.57 178.66 3kxp h THR 114 N 0.06 1.28 -0.71 2.57 2.02 -1.46 -1.69 112.91 114.98 3kxp h THR 114 Ca 0.00 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 3kxp h THR 114 Cb 0.66 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3kxp h THR 114 CO 0.05 0.34 0.27 0.00 0.37 0.00 0.00 175.52 176.55 3kxp h ALA 115 N 0.78 1.13 -0.28 6.16 0.00 -0.84 -1.58 119.26 124.64 3kxp h ALA 115 Ca 0.07 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3kxp h ALA 115 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kxp h ALA 115 CO 0.03 0.62 -0.35 0.00 0.00 0.00 0.00 179.25 179.54 3kxp h ALA 116 N 1.26 0.85 -0.11 0.00 0.00 -1.06 0.50 119.26 120.70 3kxp h ALA 116 Ca 0.24 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3kxp h ALA 116 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kxp h ALA 116 CO -0.02 0.64 -0.58 0.00 0.00 0.00 0.00 179.25 179.29 3kxp h ALA 117 N 1.08 0.80 0.02 0.00 0.00 -1.00 -2.90 119.26 117.26 3kxp h ALA 117 Ca 0.05 -0.53 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 3kxp h ALA 117 Cb 0.86 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3kxp h ALA 117 CO 0.07 0.71 -1.57 -0.22 0.00 0.00 0.00 179.25 178.25 3kxp h LYS 118 N 0.26 0.04 -2.16 0.00 3.64 -1.12 -3.41 116.57 113.81 3kxp h LYS 118 Ca -0.00 -0.06 -0.55 0.00 -1.27 0.00 0.00 60.65 58.77 3kxp h LYS 118 Cb 1.10 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.53 3kxp h LYS 118 CO 0.10 0.69 -0.87 0.66 -2.27 0.00 0.00 179.45 177.76 3kxp n TYR 119 N -3.17 2.37 -0.31 1.91 4.02 0.18 -4.96 117.16 117.19 3kxp n TYR 119 Ca -0.14 -3.92 0.16 0.00 -0.01 0.00 0.00 57.90 53.99 3kxp n TYR 119 Cb 1.03 -0.46 0.35 0.00 -0.02 0.00 0.00 39.34 40.23 3kxp n TYR 119 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kxp h PRO 120 N 3.12 0.32 0.00 -0.72 0.13 -1.71 -1.18 132.00 131.97 3kxp h PRO 120 Ca 0.12 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 3kxp h PRO 120 Cb 0.71 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 3kxp h PRO 120 CO 0.68 0.21 -0.12 -0.44 -0.23 0.00 0.00 178.00 178.11 3kxp h ASP 121 N 0.33 0.00 0.89 1.44 3.45 -1.93 -2.70 116.42 117.90 3kxp h ASP 121 Ca 0.61 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.07 3kxp h ASP 121 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 3kxp h ASP 121 CO -0.59 0.12 -0.72 -0.07 -1.57 0.00 0.00 179.24 176.42 3kxp h LEU 122 N 0.00 0.00 -8.37 1.55 3.38 -1.60 -3.44 115.31 106.83 3kxp h LEU 122 Ca -0.00 -0.18 -0.66 0.00 0.09 0.00 0.00 57.88 57.13 3kxp h LEU 122 Cb 0.33 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.79 3kxp h LEU 122 CO 0.02 0.09 -0.76 -0.69 0.09 0.00 0.00 178.44 177.19 3kxp s VAL 123 N -3.21 3.06 -0.07 1.22 1.01 -1.02 -1.54 120.40 119.86 3kxp s VAL 123 Ca 0.05 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 3kxp s VAL 123 Cb 0.12 -2.36 -0.22 0.00 0.00 0.00 0.00 36.38 33.93 3kxp s VAL 123 CO 0.74 0.46 1.02 -0.09 0.00 0.00 0.00 175.10 177.23 3kxp h ARG 124 N 7.83 -0.02 -2.86 2.72 2.43 -0.87 -3.47 114.38 120.15 3kxp h ARG 124 Ca -0.40 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.83 3kxp h ARG 124 Cb 1.17 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3kxp h ARG 124 CO 0.60 0.65 0.32 -1.54 -1.51 0.00 0.00 179.97 178.50 3kxp s SER 125 N -5.87 -0.11 -0.00 -3.80 1.04 -1.25 -4.24 113.70 99.47 3kxp s SER 125 Ca -0.17 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3kxp s SER 125 Cb -0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3kxp s SER 125 CO 0.65 -1.39 0.00 -0.69 0.98 0.00 0.00 173.24 172.80 3kxp s VAL 126 N -2.97 0.02 -0.41 5.02 1.01 0.23 -0.82 120.40 122.48 3kxp s VAL 126 Ca 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 3kxp s VAL 126 Cb -0.05 -0.05 0.10 0.00 0.00 0.00 0.00 36.38 36.39 3kxp s VAL 126 CO 0.08 0.02 0.21 -0.69 0.00 0.00 0.00 175.10 174.72 3kxp s VAL 127 N 0.17 3.51 -0.54 2.92 1.01 0.13 -0.22 120.40 127.37 3kxp s VAL 127 Ca -0.01 -1.86 -0.21 0.00 0.00 0.00 0.00 61.98 59.90 3kxp s VAL 127 Cb -0.02 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.10 3kxp s VAL 127 CO -0.00 -0.61 0.78 0.00 0.00 0.00 0.00 175.10 175.26 3kxp s ALA 128 N 1.22 3.28 -0.45 5.51 0.00 0.09 -1.80 121.76 129.62 3kxp s ALA 128 Ca 0.06 -1.61 -0.18 0.00 0.00 0.00 0.00 51.96 50.23 3kxp s ALA 128 Cb -0.23 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.38 3kxp s ALA 128 CO -0.03 -2.24 0.50 0.42 0.00 0.00 0.00 175.76 174.41 3kxp s ILE 129 N 3.24 5.03 -0.96 0.00 1.01 0.07 -1.06 121.20 128.53 3kxp s ILE 129 Ca 0.21 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 3kxp s ILE 129 Cb -0.17 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 3kxp s ILE 129 CO 0.14 -0.54 0.77 -0.67 0.00 0.00 0.00 174.94 174.63 3kxp n ASP 130 N 5.76 -6.31 -3.15 3.58 2.03 0.21 -0.44 116.55 118.23 3kxp n ASP 130 Ca -0.07 -0.66 0.05 0.00 0.52 0.00 0.00 54.79 54.63 3kxp n ASP 130 Cb 0.47 -4.13 -0.02 0.00 -0.72 0.00 0.00 41.12 36.72 3kxp n ASP 130 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3kxp s PHE 131 N -3.24 -0.42 0.39 -0.67 2.19 -1.26 -3.85 117.98 111.12 3kxp s PHE 131 Ca 0.27 0.43 0.04 0.00 0.33 0.00 0.00 56.93 57.99 3kxp s PHE 131 Cb -0.07 0.14 -0.01 0.00 -1.31 0.00 0.00 43.02 41.76 3kxp s PHE 131 CO 0.81 -0.23 0.14 0.25 1.83 0.00 0.00 175.22 178.02 3kxp n THR 132 N 5.45 0.00 -1.67 0.12 -2.24 -1.26 -4.70 114.28 109.98 3kxp n THR 132 Ca -0.06 -2.28 -0.20 0.00 -2.27 0.00 0.00 64.05 59.25 3kxp n THR 132 Cb 0.54 0.82 0.13 0.00 -2.10 0.00 0.00 70.33 69.73 3kxp n THR 132 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kxp n PRO 133 N -0.88 -0.82 -1.69 -0.78 -0.02 -1.26 -4.31 135.00 125.24 3kxp n PRO 133 Ca -0.05 -1.41 -0.19 0.00 -2.02 0.00 0.00 63.50 59.83 3kxp n PRO 133 Cb 0.59 -0.89 -0.07 0.00 -0.02 0.00 0.00 33.50 33.10 3kxp n PRO 133 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kxp n TYR 134 N -3.19 -0.16 -2.31 6.00 4.02 -1.26 -4.83 117.16 115.43 3kxp n TYR 134 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.59 3kxp n TYR 134 Cb 0.39 -3.25 -0.03 0.00 -0.02 0.00 0.00 39.34 36.43 3kxp n TYR 134 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3kxp s ILE 135 N -2.73 3.48 0.47 -0.72 1.01 -1.26 -4.62 121.20 116.82 3kxp s ILE 135 Ca 0.00 1.19 -0.24 0.00 0.00 0.00 0.00 60.65 61.60 3kxp s ILE 135 Cb 0.00 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3kxp s ILE 135 CO 0.00 0.17 1.33 -0.62 0.00 0.00 0.00 174.94 175.82 3kxp n GLU 136 N 2.83 1.95 -0.32 2.79 4.71 -1.26 -4.84 120.64 126.49 3kxp n GLU 136 Ca 0.06 0.70 0.06 0.00 -0.01 0.00 0.00 57.16 57.97 3kxp n GLU 136 Cb 0.44 -2.50 0.25 0.00 -1.01 0.00 0.00 31.44 28.62 3kxp n GLU 136 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3kxp h THR 137 N 1.95 0.99 -0.66 2.62 2.02 -1.99 -1.15 112.91 116.69 3kxp h THR 137 Ca -0.50 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 3kxp h THR 137 Cb 1.29 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3kxp h THR 137 CO 0.59 0.18 0.29 -0.33 0.37 0.00 0.00 175.52 176.62 3kxp h GLU 138 N 0.99 0.97 -0.53 6.66 3.07 -1.99 0.17 114.58 123.93 3kxp h GLU 138 Ca 0.43 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 3kxp h GLU 138 Cb 0.36 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3kxp h GLU 138 CO -0.19 0.80 0.17 0.00 -1.40 0.00 0.00 179.01 178.39 3kxp h ALA 139 N 1.13 0.69 -0.30 3.43 0.00 -1.58 -1.41 119.26 121.21 3kxp h ALA 139 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kxp h ALA 139 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kxp h ALA 139 CO -0.02 0.34 -0.08 -0.07 0.00 0.00 0.00 179.25 179.42 3kxp h LEU 140 N 0.72 0.46 -0.54 0.00 3.38 -0.82 -1.60 115.31 116.90 3kxp h LEU 140 Ca 0.17 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3kxp h LEU 140 Cb 0.26 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3kxp h LEU 140 CO -0.01 0.58 -0.10 0.44 0.09 0.00 0.00 178.44 179.45 3kxp h ASP 141 N 0.45 1.02 -0.14 -0.43 3.32 -0.20 -1.93 116.42 118.51 3kxp h ASP 141 Ca 0.09 -0.35 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 3kxp h ASP 141 Cb 0.42 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3kxp h ASP 141 CO 0.02 1.13 -0.27 0.00 -1.72 0.00 0.00 179.24 178.40 3kxp h ALA 142 N 0.92 0.96 -0.70 3.45 0.00 -0.96 -2.05 119.26 120.89 3kxp h ALA 142 Ca 0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3kxp h ALA 142 Cb 0.67 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3kxp h ALA 142 CO 0.05 0.60 0.20 1.25 0.00 0.00 0.00 179.25 181.35 3kxp h LEU 143 N 0.53 1.04 -0.35 0.00 6.46 -1.08 -1.91 115.31 119.99 3kxp h LEU 143 Ca 0.07 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 3kxp h LEU 143 Cb 0.74 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 3kxp h LEU 143 CO 0.06 0.98 0.14 -0.08 -0.62 0.00 0.00 178.44 178.92 3kxp h GLU 144 N 1.04 0.52 -0.64 1.25 4.81 -1.05 -1.18 114.58 119.33 3kxp h GLU 144 Ca 0.22 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3kxp h GLU 144 Cb 0.33 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3kxp h GLU 144 CO -0.00 0.51 0.20 0.00 -0.73 0.00 0.00 179.01 178.99 3kxp h ALA 145 N 0.98 0.84 -0.73 2.92 0.00 -1.28 -1.91 119.26 120.08 3kxp h ALA 145 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3kxp h ALA 145 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3kxp h ALA 145 CO -0.01 0.52 0.40 -0.09 0.00 0.00 0.00 179.25 180.07 3kxp h ARG 146 N 0.93 1.02 -0.37 0.00 2.43 -1.17 -2.12 114.38 115.09 3kxp h ARG 146 Ca 0.21 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3kxp h ARG 146 Cb 0.30 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3kxp h ARG 146 CO -0.01 0.76 0.15 0.28 -1.51 0.00 0.00 179.97 179.65 3kxp h VAL 147 N 1.01 1.19 -0.51 0.20 2.07 -0.87 -2.97 116.25 116.37 3kxp h VAL 147 Ca 0.26 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3kxp h VAL 147 Cb 0.04 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3kxp h VAL 147 CO -0.04 0.21 0.31 0.78 0.02 0.00 0.00 177.57 178.85 3kxp h ASN 148 N 0.46 0.60 0.27 0.57 2.35 -1.02 -0.84 115.58 117.97 3kxp h ASN 148 Ca 0.13 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3kxp h ASN 148 Cb 0.18 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3kxp h ASN 148 CO -0.01 0.46 0.00 0.00 -1.65 0.00 0.00 177.43 176.23 3kxp n ALA 149 N -2.46 2.22 -0.02 -0.83 0.00 -0.83 -3.63 120.51 114.97 3kxp n ALA 149 Ca 0.05 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 3kxp n ALA 149 Cb 0.07 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 3kxp n ALA 149 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kxp h GLY 150 N 3.66 0.45 -6.85 0.00 0.00 -1.09 -3.44 103.07 95.80 3kxp h GLY 150 Ca 0.00 -0.67 -0.58 0.00 0.00 0.00 0.00 47.33 46.07 3kxp h GLY 150 CO 0.00 0.60 1.46 -0.45 0.00 0.00 0.00 176.54 178.15 3kxp s SER 151 N -6.56 5.54 0.28 0.19 0.15 -1.24 -4.92 113.70 107.14 3kxp s SER 151 Ca -0.14 1.90 -0.09 0.00 0.70 0.00 0.00 55.95 58.33 3kxp s SER 151 Cb 0.04 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3kxp s SER 151 CO 0.80 -1.89 0.48 -1.10 1.20 0.00 0.00 173.24 172.73 3kxp s GLN 152 N 6.19 1.68 -0.21 5.44 -0.21 -1.26 -5.11 119.66 126.18 3kxp s GLN 152 Ca 0.98 -1.44 0.00 0.00 0.02 0.00 0.00 55.36 54.93 3kxp s GLN 152 Cb -0.33 0.46 0.05 0.00 1.00 0.00 0.00 33.01 34.19 3kxp s GLN 152 CO 0.35 -0.70 -0.06 -1.17 -2.12 0.00 0.00 175.29 171.59 3kxp s LEU 153 N -3.10 2.24 0.26 2.90 2.96 -1.26 -4.22 118.68 118.46 3kxp s LEU 153 Ca 0.25 -0.98 0.07 0.00 -0.22 0.00 0.00 54.13 53.25 3kxp s LEU 153 Cb -0.00 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3kxp s LEU 153 CO 0.13 -0.20 0.23 -0.36 -1.32 0.00 0.00 176.35 174.82 3kxp s PHE 154 N 1.46 3.14 -0.04 5.38 0.40 -0.08 -4.87 117.98 123.37 3kxp s PHE 154 Ca -0.03 -0.11 -0.23 0.00 -0.60 0.00 0.00 56.93 55.96 3kxp s PHE 154 Cb -0.17 -1.45 -0.17 0.00 0.51 0.00 0.00 43.02 41.73 3kxp s PHE 154 CO -0.07 0.49 1.02 0.93 0.70 0.00 0.00 175.22 178.29 3kxp h GLU 155 N 1.43 -0.18 0.00 0.44 5.08 -1.88 0.74 114.58 120.21 3kxp h GLU 155 Ca -0.49 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 57.69 3kxp h GLU 155 Cb 1.24 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 3kxp h GLU 155 CO 0.61 0.27 -0.17 -0.40 -1.00 0.00 0.00 179.01 178.31 3kxp n ASP 156 N -4.93 -0.45 0.05 1.42 5.68 -1.26 -4.22 116.55 112.85 3kxp n ASP 156 Ca -0.08 -1.99 -0.02 0.00 -0.50 0.00 0.00 54.79 52.19 3kxp n ASP 156 Cb 0.27 0.94 0.24 0.00 -1.14 0.00 0.00 41.12 41.43 3kxp n ASP 156 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3kxp h ILE 157 N 1.50 1.26 -0.87 2.12 6.09 -1.96 -2.71 117.51 122.94 3kxp h ILE 157 Ca -0.12 -1.25 -0.03 0.00 -1.37 0.00 0.00 64.86 62.10 3kxp h ILE 157 Cb 0.57 1.41 -0.04 0.00 0.47 0.00 0.00 36.82 39.23 3kxp h ILE 157 CO 0.17 0.39 0.44 0.11 -3.07 0.00 0.00 178.15 176.18 3kxp h LYS 158 N 0.33 1.25 -0.35 2.19 1.57 -1.99 0.16 116.57 119.73 3kxp h LYS 158 Ca 0.05 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 3kxp h LYS 158 Cb 0.65 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3kxp h LYS 158 CO 0.05 0.94 -0.34 0.00 -0.57 0.00 0.00 179.45 179.52 3kxp h ALA 159 N 1.24 0.51 -0.15 3.86 0.00 -1.95 -1.85 119.26 120.92 3kxp h ALA 159 Ca 0.30 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kxp h ALA 159 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kxp h ALA 159 CO -0.04 0.58 0.10 0.28 0.00 0.00 0.00 179.25 180.17 3kxp h VAL 160 N 0.64 1.05 -0.46 0.00 2.07 -1.13 0.12 116.25 118.54 3kxp h VAL 160 Ca 0.06 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3kxp h VAL 160 Cb 0.93 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3kxp h VAL 160 CO 0.09 0.05 0.28 -0.33 0.02 0.00 0.00 177.57 177.67 3kxp h GLU 161 N 0.20 0.55 -0.44 1.57 5.08 -0.62 0.14 114.58 121.05 3kxp h GLU 161 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3kxp h GLU 161 Cb -0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3kxp h GLU 161 CO -0.01 0.36 0.15 0.00 -1.00 0.00 0.00 179.01 178.51 3kxp h ALA 162 N 1.20 0.57 -0.70 3.43 0.00 -1.11 -1.57 119.26 121.08 3kxp h ALA 162 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kxp h ALA 162 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3kxp h ALA 162 CO -0.08 0.20 0.44 -0.92 0.00 0.00 0.00 179.25 178.89 3kxp h TYR 163 N 0.56 0.91 -0.03 0.00 3.20 -0.32 -2.59 116.97 118.71 3kxp h TYR 163 Ca 0.14 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 3kxp h TYR 163 Cb 0.23 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3kxp h TYR 163 CO 0.01 0.60 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.59 3kxp h LEU 164 N 0.95 0.07 -1.33 2.82 3.38 -0.80 -2.60 115.31 117.80 3kxp h LEU 164 Ca 0.25 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3kxp h LEU 164 Cb -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kxp h LEU 164 CO -0.05 0.53 -0.14 0.00 0.09 0.00 0.00 178.44 178.87 3kxp h ALA 165 N 1.47 1.45 -0.05 1.53 0.00 -0.91 -1.29 119.26 121.47 3kxp h ALA 165 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3kxp h ALA 165 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kxp h ALA 165 CO 0.06 0.38 -0.20 0.78 0.00 0.00 0.00 179.25 180.28 3kxp h GLY 166 N 0.80 0.24 1.90 0.00 0.00 -1.19 -2.81 103.07 102.00 3kxp h GLY 166 Ca 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3kxp h GLY 166 CO 0.02 0.30 -0.13 3.21 0.00 0.00 0.00 176.54 179.94 3kxp h ARG 167 N -0.33 0.13 -2.16 4.80 3.08 -1.28 -3.25 114.38 115.36 3kxp h ARG 167 Ca -0.01 -0.02 -0.58 0.00 0.07 0.00 0.00 59.98 59.43 3kxp h ARG 167 Cb 0.85 -0.02 -0.41 0.00 0.08 0.00 0.00 29.97 30.46 3kxp h ARG 167 CO 0.04 0.26 -0.74 0.66 -1.07 0.00 0.00 179.97 179.13 3kxp n TYR 168 N -4.32 2.78 -0.23 3.04 4.02 -0.51 -4.95 117.16 116.99 3kxp n TYR 168 Ca -0.01 -3.99 0.30 0.00 -0.01 0.00 0.00 57.90 54.18 3kxp n TYR 168 Cb 0.24 -0.50 0.72 0.00 -0.02 0.00 0.00 39.34 39.78 3kxp n TYR 168 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kxp h PRO 169 N 3.80 0.02 0.00 -0.72 0.13 -1.54 -2.01 132.00 131.68 3kxp h PRO 169 Ca 0.15 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3kxp h PRO 169 Cb 0.69 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3kxp h PRO 169 CO 0.74 0.01 -0.77 -0.91 -0.23 0.00 0.00 178.00 176.85 3kxp h ASN 170 N 0.02 0.00 -2.95 1.44 2.35 -1.93 -3.46 115.58 111.05 3kxp h ASN 170 Ca 0.47 -0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 55.64 3kxp h ASN 170 Cb 1.86 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.25 3kxp h ASN 170 CO -0.02 0.03 0.77 -0.63 -1.65 0.00 0.00 177.43 175.93 3kxp s ILE 171 N -3.29 3.31 0.55 2.81 1.01 -0.76 -4.80 121.20 120.03 3kxp s ILE 171 Ca 0.02 0.90 -0.21 0.00 0.00 0.00 0.00 60.65 61.36 3kxp s ILE 171 Cb 0.10 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 3kxp s ILE 171 CO 0.76 0.05 1.16 -2.65 0.00 0.00 0.00 174.94 174.25 3kxp n PRO 172 N 4.31 1.33 -0.30 2.79 -0.02 -1.26 -4.71 135.00 137.13 3kxp n PRO 172 Ca 0.12 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 3kxp n PRO 172 Cb 0.42 -2.34 0.27 0.00 -0.02 0.00 0.00 33.50 31.83 3kxp n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kxp h ALA 173 N 1.08 1.36 -0.61 3.55 0.00 -1.98 -0.61 119.26 122.06 3kxp h ALA 173 Ca -0.49 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3kxp h ALA 173 Cb 1.33 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3kxp h ALA 173 CO 0.55 -0.21 0.39 0.38 0.00 0.00 0.00 179.25 180.35 3kxp h ASP 174 N 0.52 0.65 -0.48 0.00 3.04 -2.00 -0.86 116.42 117.29 3kxp h ASP 174 Ca 0.51 -0.01 -0.12 0.00 -3.24 0.00 0.00 57.03 54.18 3kxp h ASP 174 Cb 0.86 -0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 38.99 3kxp h ASP 174 CO -0.44 0.46 -0.16 0.00 -2.04 0.00 0.00 179.24 177.06 3kxp h ALA 175 N 1.25 0.78 -0.48 4.15 0.00 -1.52 -2.29 119.26 121.14 3kxp h ALA 175 Ca 0.24 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3kxp h ALA 175 Cb -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3kxp h ALA 175 CO -0.08 0.66 0.24 0.82 0.00 0.00 0.00 179.25 180.89 3kxp h ILE 176 N 0.85 0.95 -0.51 0.00 1.08 -0.71 -1.16 117.51 118.01 3kxp h ILE 176 Ca 0.12 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 3kxp h ILE 176 Cb 0.71 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 3kxp h ILE 176 CO 0.05 0.09 0.20 -0.09 -0.69 0.00 0.00 178.15 177.71 3kxp h ARG 177 N 0.47 0.74 -0.68 2.37 2.43 -0.94 -0.08 114.38 118.69 3kxp h ARG 177 Ca 0.21 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3kxp h ARG 177 Cb 0.12 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3kxp h ARG 177 CO -0.15 0.62 0.13 0.82 -1.51 0.00 0.00 179.97 179.88 3kxp h ILE 178 N 0.73 1.26 -0.38 1.20 2.04 -0.73 -1.06 117.51 120.58 3kxp h ILE 178 Ca 0.18 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 3kxp h ILE 178 Cb 0.16 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3kxp h ILE 178 CO -0.02 0.38 -0.07 0.03 0.00 0.00 0.00 178.15 178.48 3kxp h ARG 179 N 1.03 0.71 -0.17 2.37 3.08 -0.60 -2.27 114.38 118.53 3kxp h ARG 179 Ca 0.21 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3kxp h ARG 179 Cb 0.42 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3kxp h ARG 179 CO 0.01 0.85 0.04 0.00 -1.07 0.00 0.00 179.97 179.80 3kxp h ALA 180 N 0.84 0.18 -0.00 0.04 0.00 -0.75 0.18 119.26 119.75 3kxp h ALA 180 Ca 0.10 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3kxp h ALA 180 Cb 0.57 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3kxp h ALA 180 CO 0.03 -0.40 -0.58 0.93 0.00 0.00 0.00 179.25 179.24 3kxp h GLU 181 N 0.11 0.00 0.00 0.00 5.08 -1.19 -3.34 114.58 115.25 3kxp h GLU 181 Ca 0.08 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 3kxp h GLU 181 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3kxp h GLU 181 CO -0.10 0.58 -2.17 -1.13 -1.00 0.00 0.00 179.01 175.19 3kxp n SER 182 N -3.86 0.05 -0.27 1.42 3.41 -0.86 -4.52 113.62 108.99 3kxp n SER 182 Ca -0.01 0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.75 3kxp n SER 182 Cb 0.58 1.39 0.41 0.00 -0.26 0.00 0.00 64.21 66.33 3kxp n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kxp n GLY 183 N 1.52 -0.54 3.47 5.00 0.00 0.04 -4.94 105.19 109.74 3kxp n GLY 183 Ca -0.19 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 3kxp n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxp s TYR 184 N -2.43 2.30 0.03 1.61 1.51 -1.25 -0.87 117.35 118.25 3kxp s TYR 184 Ca 0.26 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3kxp s TYR 184 Cb 0.19 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 3kxp s TYR 184 CO 0.49 0.70 -0.05 1.14 -1.11 0.00 0.00 175.55 176.72 3kxp s GLN 185 N -3.45 0.44 0.06 -0.62 -2.07 0.08 -4.81 119.66 109.29 3kxp s GLN 185 Ca 0.29 -0.74 -0.25 0.00 -1.82 0.00 0.00 55.36 52.85 3kxp s GLN 185 Cb -0.05 -0.06 -0.06 0.00 -1.09 0.00 0.00 33.01 31.75 3kxp s GLN 185 CO 0.15 -0.01 0.77 -1.25 -1.32 0.00 0.00 175.29 173.62 3kxp s PRO 186 N -1.75 4.50 0.28 9.60 0.04 -1.26 -1.14 135.00 145.27 3kxp s PRO 186 Ca -0.11 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.06 3kxp s PRO 186 Cb -0.08 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 3kxp s PRO 186 CO -0.01 0.31 0.18 1.33 0.04 0.00 0.00 177.00 178.85 3kxp n VAL 187 N 2.69 0.00 -2.27 -0.36 0.24 0.59 -4.95 118.33 114.27 3kxp n VAL 187 Ca -0.03 -1.87 -0.43 0.00 -2.04 0.00 0.00 64.34 59.98 3kxp n VAL 187 Cb 0.50 0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 3kxp n VAL 187 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kxp s ASP 188 N -2.85 6.84 0.00 -1.34 3.68 -1.26 -2.37 116.67 119.37 3kxp s ASP 188 Ca 0.25 1.89 0.00 0.00 2.13 0.00 0.00 52.55 56.82 3kxp s ASP 188 Cb 0.01 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 3kxp s ASP 188 CO 0.18 -0.82 0.00 0.61 0.13 0.00 0.00 175.17 175.27 3kxp n GLY 189 N 3.80 1.62 0.00 2.66 0.00 -1.26 -5.00 105.19 107.01 3kxp n GLY 189 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3kxp n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxp n GLY 190 N 0.00 -0.05 3.63 -0.02 0.00 -1.00 -4.62 105.19 103.13 3kxp n GLY 190 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3kxp n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxp s LEU 191 N 0.00 3.50 0.10 0.99 2.01 0.26 -0.30 118.68 125.24 3kxp s LEU 191 Ca 0.00 0.06 0.08 0.00 0.01 0.00 0.00 54.13 54.28 3kxp s LEU 191 Cb 0.00 -1.82 -0.03 0.00 0.01 0.00 0.00 46.19 44.35 3kxp s LEU 191 CO 0.00 0.31 -0.20 -0.60 1.01 0.00 0.00 176.35 176.87 3kxp s ARG 192 N -0.45 1.08 0.54 1.70 3.52 -0.29 -0.90 118.95 124.14 3kxp s ARG 192 Ca 0.08 -1.14 -0.20 0.00 -0.13 0.00 0.00 55.73 54.34 3kxp s ARG 192 Cb -0.12 -1.29 -0.05 0.00 -1.56 0.00 0.00 34.95 31.93 3kxp s ARG 192 CO 0.02 0.30 1.18 -2.14 -0.81 0.00 0.00 175.30 173.85 3kxp s PRO 193 N -1.93 3.31 0.29 5.12 0.02 -1.26 -0.74 135.00 139.81 3kxp s PRO 193 Ca 0.05 1.77 0.12 0.00 0.02 0.00 0.00 61.00 62.97 3kxp s PRO 193 Cb -0.10 -2.10 0.41 0.00 0.02 0.00 0.00 34.50 32.73 3kxp s PRO 193 CO 0.04 -0.92 1.63 -0.07 -0.33 0.00 0.00 177.00 177.35 3kxp h LEU 194 N 1.32 0.00 -9.77 -5.54 3.38 -1.32 -3.45 115.31 99.94 3kxp h LEU 194 Ca -0.50 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.94 3kxp h LEU 194 Cb 1.27 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.08 3kxp h LEU 194 CO 0.57 0.57 0.73 0.00 0.09 0.00 0.00 178.44 180.41 3kxp s ALA 195 N -3.58 3.60 -0.11 1.53 0.00 -1.26 -4.64 121.76 117.30 3kxp s ALA 195 Ca -0.01 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 3kxp s ALA 195 Cb 0.12 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3kxp s ALA 195 CO 0.75 -0.73 1.30 0.45 0.00 0.00 0.00 175.76 177.53 3kxp s SER 196 N 0.19 6.94 0.15 0.00 0.15 -0.89 -4.93 113.70 115.31 3kxp s SER 196 Ca 0.57 1.82 -0.18 0.00 0.70 0.00 0.00 55.95 58.87 3kxp s SER 196 Cb -0.41 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.41 3kxp s SER 196 CO 0.45 -0.73 1.70 0.28 1.20 0.00 0.00 173.24 176.15 3kxp h SER 197 N 8.09 -0.19 -0.78 5.45 0.02 -1.93 -2.06 113.55 122.14 3kxp h SER 197 Ca -0.31 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 60.77 3kxp h SER 197 Cb 1.13 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 3kxp h SER 197 CO 0.94 -0.06 0.48 0.00 -1.14 0.00 0.00 176.83 177.05 3kxp h ALA 198 N 1.30 1.05 0.00 3.77 0.00 -1.98 -0.78 119.26 122.63 3kxp h ALA 198 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kxp h ALA 198 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kxp h ALA 198 CO -0.29 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3kxp n ALA 199 N -2.34 1.85 0.00 0.00 0.00 -0.78 -1.79 120.51 117.46 3kxp n ALA 199 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kxp n ALA 199 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kxp n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kxp n ALA 201 N 0.78 0.00 -0.12 0.00 0.00 -0.30 -1.14 120.51 119.73 3kxp n ALA 201 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3kxp n ALA 201 Cb 0.18 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.74 3kxp n ALA 201 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kxp h GLN 202 N 0.00 0.85 -0.18 0.00 4.20 -1.61 -2.08 115.11 116.27 3kxp h GLN 202 Ca 0.00 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 3kxp h GLN 202 Cb 0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kxp h GLN 202 CO 0.00 0.89 0.04 1.15 -0.67 0.00 0.00 178.83 180.24 3kxp h THR 203 N 0.77 1.20 -0.13 -0.54 2.02 -1.31 -0.70 112.91 114.23 3kxp h THR 203 Ca 0.14 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.70 3kxp h THR 203 Cb 0.55 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3kxp h THR 203 CO 0.03 0.20 -0.09 0.00 0.37 0.00 0.00 175.52 176.03 3kxp h ALA 204 N 0.85 0.01 -0.69 6.16 0.00 -1.78 -0.50 119.26 123.31 3kxp h ALA 204 Ca 0.06 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3kxp h ALA 204 Cb 0.27 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3kxp h ALA 204 CO 0.00 -0.54 0.33 -0.09 0.00 0.00 0.00 179.25 178.95 3kxp h ARG 205 N -0.10 0.55 0.00 0.00 2.43 -1.29 -0.28 114.38 115.70 3kxp h ARG 205 Ca 0.08 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kxp h ARG 205 Cb 0.21 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3kxp h ARG 205 CO -0.18 0.37 -0.02 0.78 -1.51 0.00 0.00 179.97 179.40 3kxp h GLY 206 N 0.57 0.00 1.34 2.80 0.00 -0.07 -2.25 103.07 105.47 3kxp h GLY 206 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3kxp h GLY 206 CO -0.27 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.31 3kxp n LEU 207 N -3.14 0.00 0.08 3.11 4.77 -0.12 -2.49 117.00 119.21 3kxp n LEU 207 Ca -0.01 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 3kxp n LEU 207 Cb 0.23 -0.17 0.09 0.00 -2.33 0.00 0.00 43.42 41.23 3kxp n LEU 207 CO 0.25 -0.06 0.19 0.03 -1.33 0.00 0.00 177.39 176.48 3kxp h ARG 208 N 0.00 0.00 -6.84 3.23 3.08 -1.47 -3.48 114.38 108.91 3kxp h ARG 208 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3kxp h ARG 208 Cb 0.12 0.00 0.17 0.00 0.08 0.00 0.00 29.97 30.34 3kxp h ARG 208 CO 0.00 0.00 0.02 -1.13 -1.07 0.00 0.00 179.97 177.79 3kxp n SER 209 N -2.35 0.28 -4.70 7.04 3.41 -1.04 -4.87 113.62 111.40 3kxp n SER 209 Ca 0.02 0.71 -0.42 0.00 -0.26 0.00 0.00 58.87 58.92 3kxp n SER 209 Cb 0.49 -1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.05 3kxp n SER 209 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kxp s ASP 210 N -1.44 6.52 0.00 4.04 2.15 -1.26 -4.89 116.67 121.79 3kxp s ASP 210 Ca 0.73 2.63 0.14 0.00 0.43 0.00 0.00 52.55 56.49 3kxp s ASP 210 Cb -0.38 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 39.85 3kxp s ASP 210 CO 0.50 -0.93 1.04 -0.11 -0.17 0.00 0.00 175.17 175.50 3kxp n LEU 211 N 5.30 2.42 -0.14 -1.34 7.94 -1.26 -4.61 117.00 125.30 3kxp n LEU 211 Ca 0.16 -1.24 -0.07 0.00 -1.11 0.00 0.00 56.01 53.76 3kxp n LEU 211 Cb 0.39 -0.07 0.02 0.00 0.53 0.00 0.00 43.42 44.29 3kxp n LEU 211 CO 0.64 0.49 1.04 0.58 -1.11 0.00 0.00 177.39 179.02 3kxp h VAL 212 N 2.74 1.06 -0.40 1.96 2.07 -1.96 -2.98 116.25 118.75 3kxp h VAL 212 Ca 0.00 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3kxp h VAL 212 Cb 0.64 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3kxp h VAL 212 CO 0.00 0.10 -0.15 -0.65 0.02 0.00 0.00 177.57 176.89 3kxp h PRO 213 N 0.54 -0.06 -0.18 1.57 0.11 -1.98 0.22 132.00 132.21 3kxp h PRO 213 Ca 0.17 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.30 3kxp h PRO 213 Cb -0.00 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3kxp h PRO 213 CO -0.07 -0.04 0.09 0.00 -0.21 0.00 0.00 178.00 177.76 3kxp h ALA 214 N 1.28 0.21 -0.11 -0.75 0.00 -1.86 0.69 119.26 118.72 3kxp h ALA 214 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3kxp h ALA 214 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kxp h ALA 214 CO -0.44 -0.33 -0.44 1.88 0.00 0.00 0.00 179.25 179.92 3kxp h TYR 215 N 0.19 0.30 -0.17 0.00 -1.99 -1.33 -1.91 116.97 112.06 3kxp h TYR 215 Ca 0.07 -0.09 -0.18 0.00 2.00 0.00 0.00 58.73 60.54 3kxp h TYR 215 Cb 0.01 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 3kxp h TYR 215 CO -0.09 0.65 -0.62 -0.09 -0.00 0.00 0.00 178.16 178.01 3kxp h ARG 216 N 0.21 0.60 0.00 4.88 2.43 -0.26 -3.35 114.38 118.89 3kxp h ARG 216 Ca 0.02 -0.42 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 3kxp h ARG 216 Cb 0.86 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3kxp h ARG 216 CO 0.07 1.04 -1.55 -0.25 -1.51 0.00 0.00 179.97 177.77 3kxp n ASP 217 N -3.93 0.61 -4.58 -3.80 8.00 0.21 -4.97 116.55 108.09 3kxp n ASP 217 Ca -0.04 0.26 -0.51 0.00 0.71 0.00 0.00 54.79 55.21 3kxp n ASP 217 Cb 0.65 0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 42.33 3kxp n ASP 217 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kxp n VAL 218 N -2.72 0.50 0.66 2.53 0.24 -0.72 -4.88 118.33 113.93 3kxp n VAL 218 Ca -0.10 -0.13 0.07 0.00 -2.04 0.00 0.00 64.34 62.14 3kxp n VAL 218 Cb 0.78 -0.79 -0.08 0.00 -1.47 0.00 0.00 33.84 32.28 3kxp n VAL 218 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kxp n THR 219 N 1.90 0.00 -3.34 3.34 -2.24 -1.26 -4.98 114.28 107.69 3kxp n THR 219 Ca 0.17 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3kxp n THR 219 Cb 0.22 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 3kxp n THR 219 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kxp s LYS 220 N -2.32 3.60 0.30 -0.78 -0.14 -1.26 -5.03 119.74 114.11 3kxp s LYS 220 Ca 0.05 -0.06 -0.30 0.00 -1.36 0.00 0.00 55.97 54.30 3kxp s LYS 220 Cb 0.11 -2.65 -0.12 0.00 -1.68 0.00 0.00 37.83 33.49 3kxp s LYS 220 CO 0.57 0.20 1.56 -2.30 -0.76 0.00 0.00 175.35 174.63 3kxp n PRO 221 N -1.08 2.63 -4.05 -1.68 -0.02 -1.26 -4.86 135.00 124.68 3kxp n PRO 221 Ca -0.02 0.93 -0.22 0.00 -2.02 0.00 0.00 63.50 62.18 3kxp n PRO 221 Cb 0.54 -2.69 -0.17 0.00 -0.02 0.00 0.00 33.50 31.16 3kxp n PRO 221 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kxp s VAL 222 N -0.19 0.56 -0.23 -1.45 1.01 -1.26 -0.60 120.40 118.24 3kxp s VAL 222 Ca 0.63 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 3kxp s VAL 222 Cb -0.51 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3kxp s VAL 222 CO 0.51 0.25 0.26 -0.22 0.00 0.00 0.00 175.10 175.90 3kxp s LEU 223 N 1.27 4.11 -0.25 3.92 2.96 0.69 -3.88 118.68 127.51 3kxp s LEU 223 Ca -0.05 0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.97 3kxp s LEU 223 Cb -0.14 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3kxp s LEU 223 CO -0.02 -0.01 0.34 -0.63 -1.32 0.00 0.00 176.35 174.71 3kxp s ILE 224 N 1.28 5.21 -0.16 6.68 1.01 -0.15 -0.73 121.20 134.35 3kxp s ILE 224 Ca 0.12 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.31 3kxp s ILE 224 Cb -0.14 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.68 3kxp s ILE 224 CO 0.07 0.21 -0.20 -0.69 0.00 0.00 0.00 174.94 174.32 3kxp s VAL 225 N 1.74 2.00 0.00 2.92 1.01 -0.23 -0.33 120.40 127.52 3kxp s VAL 225 Ca 0.14 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3kxp s VAL 225 Cb -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3kxp s VAL 225 CO 0.09 0.54 -0.20 -0.60 0.00 0.00 0.00 175.10 174.92 3kxp s ARG 226 N 1.07 1.58 -0.05 2.72 3.52 -0.38 0.65 118.95 128.06 3kxp s ARG 226 Ca -0.01 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 3kxp s ARG 226 Cb -0.14 -1.57 -0.02 0.00 -1.56 0.00 0.00 34.95 31.66 3kxp s ARG 226 CO -0.07 0.42 1.04 0.20 -0.81 0.00 0.00 175.30 176.08 3kxp s GLY 227 N -0.66 2.51 0.33 8.12 0.00 -1.26 -0.86 107.32 115.50 3kxp s GLY 227 Ca 0.08 0.50 0.10 0.00 0.00 0.00 0.00 44.72 45.40 3kxp s GLY 227 CO -0.00 1.89 1.75 -2.09 0.00 0.00 0.00 173.10 174.65 3kxp h GLU 228 N 7.02 0.57 -0.53 2.90 4.81 -0.85 0.24 114.58 128.74 3kxp h GLU 228 Ca -0.36 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.74 3kxp h GLU 228 Cb 1.18 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.37 3kxp h GLU 228 CO 0.82 0.38 0.10 -1.13 -0.73 0.00 0.00 179.01 178.45 3kxp n SER 229 N -4.81 4.54 -4.78 1.04 3.41 0.03 -4.93 113.62 108.13 3kxp n SER 229 Ca 0.26 -3.16 -0.41 0.00 -0.26 0.00 0.00 58.87 55.30 3kxp n SER 229 Cb 0.73 -0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3kxp n SER 229 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kxp s SER 230 N -1.40 6.33 0.00 4.04 0.15 0.07 -4.60 113.70 118.29 3kxp s SER 230 Ca 0.50 3.06 0.20 0.00 0.70 0.00 0.00 55.95 60.42 3kxp s SER 230 Cb 0.40 -2.67 -0.08 0.00 -1.71 0.00 0.00 66.02 61.96 3kxp s SER 230 CO 0.11 -0.89 0.94 0.29 1.20 0.00 0.00 173.24 174.90 3kxp n LYS 231 N 0.49 1.08 -0.08 5.44 5.02 -1.26 -4.47 118.16 124.38 3kxp n LYS 231 Ca 0.01 -0.59 -0.12 0.00 -2.02 0.00 0.00 58.31 55.59 3kxp n LYS 231 Cb 0.39 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 3kxp n LYS 231 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kxp h LEU 232 N 1.41 0.00 -8.14 -0.35 7.12 -1.93 -3.44 115.31 109.99 3kxp h LEU 232 Ca 0.00 -0.24 -0.74 0.00 0.13 0.00 0.00 57.88 57.03 3kxp h LEU 232 Cb 0.61 0.00 -0.25 0.00 -0.53 0.00 0.00 40.66 40.49 3kxp h LEU 232 CO 0.00 1.07 -0.31 -0.69 -0.13 0.00 0.00 178.44 178.38 3kxp s VAL 233 N -2.27 4.95 0.72 1.05 1.01 -1.26 -4.68 120.40 119.93 3kxp s VAL 233 Ca -0.20 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 3kxp s VAL 233 Cb 0.04 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.34 3kxp s VAL 233 CO 0.38 -0.72 1.07 -0.94 0.00 0.00 0.00 175.10 174.89 3kxp s SER 234 N 2.98 5.08 0.48 3.32 1.04 -1.26 -4.62 113.70 120.72 3kxp s SER 234 Ca 0.04 1.66 0.14 0.00 0.48 0.00 0.00 55.95 58.26 3kxp s SER 234 Cb -0.27 -2.48 1.14 0.00 0.10 0.00 0.00 66.02 64.51 3kxp s SER 234 CO 0.03 -1.64 2.11 0.00 0.98 0.00 0.00 173.24 174.72 3kxp h ALA 235 N -0.86 1.93 -0.52 5.32 0.00 -1.92 -1.61 119.26 121.61 3kxp h ALA 235 Ca -0.44 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3kxp h ALA 235 Cb 1.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3kxp h ALA 235 CO 0.55 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.72 3kxp h ALA 236 N 1.90 0.72 -0.47 0.00 0.00 -1.99 -1.36 119.26 118.06 3kxp h ALA 236 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3kxp h ALA 236 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kxp h ALA 236 CO -0.01 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.96 3kxp h ALA 237 N 0.91 0.63 -0.39 0.00 0.00 -1.57 -2.31 119.26 116.52 3kxp h ALA 237 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 237 Cb 0.70 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kxp h ALA 237 CO 0.05 0.36 0.26 1.25 0.00 0.00 0.00 179.25 181.17 3kxp h LEU 238 N 0.65 0.45 -0.77 0.00 5.85 -1.24 -0.79 115.31 119.47 3kxp h LEU 238 Ca 0.14 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3kxp h LEU 238 Cb 0.39 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3kxp h LEU 238 CO 0.01 0.33 0.47 0.00 -0.34 0.00 0.00 178.44 178.91 3kxp h ALA 239 N 1.14 1.05 -0.67 1.25 0.00 -1.11 -0.37 119.26 120.56 3kxp h ALA 239 Ca 0.14 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3kxp h ALA 239 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3kxp h ALA 239 CO -0.03 0.19 0.11 0.87 0.00 0.00 0.00 179.25 180.39 3kxp h LYS 240 N 0.86 1.11 -0.40 0.00 1.57 -1.00 -1.91 116.57 116.79 3kxp h LYS 240 Ca 0.34 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3kxp h LYS 240 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3kxp h LYS 240 CO -0.17 1.01 0.22 1.15 -0.57 0.00 0.00 179.45 181.10 3kxp h THR 241 N 1.03 1.15 0.00 -0.16 2.02 -0.32 -1.50 112.91 115.13 3kxp h THR 241 Ca 0.20 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3kxp h THR 241 Cb 0.44 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3kxp h THR 241 CO 0.01 0.15 -0.11 0.28 0.37 0.00 0.00 175.52 176.22 3kxp h SER 242 N 0.52 0.00 0.79 4.18 0.02 -0.88 0.87 113.55 119.05 3kxp h SER 242 Ca 0.14 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.87 3kxp h SER 242 Cb 0.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3kxp h SER 242 CO -0.02 0.11 -1.04 -0.09 -1.14 0.00 0.00 176.83 174.65 3kxp h ARG 243 N 0.00 0.12 -0.23 3.45 2.43 -0.80 0.97 114.38 120.33 3kxp h ARG 243 Ca -0.00 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 58.83 3kxp h ARG 243 Cb 0.42 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3kxp h ARG 243 CO 0.01 1.05 -0.47 1.25 -1.51 0.00 0.00 179.97 180.30 3kxp h LEU 244 N 0.04 0.81 -6.15 3.80 7.12 -0.25 -3.38 115.31 117.29 3kxp h LEU 244 Ca -0.05 -0.55 -0.57 0.00 0.13 0.00 0.00 57.88 56.83 3kxp h LEU 244 Cb 1.76 -0.23 -0.39 0.00 -0.53 0.00 0.00 40.66 41.26 3kxp h LEU 244 CO 0.15 1.21 -0.99 0.54 -0.13 0.00 0.00 178.44 179.22 3kxp n ARG 245 N -4.15 0.87 0.14 1.25 5.12 0.20 -4.96 116.66 115.13 3kxp n ARG 245 Ca -0.05 -3.45 0.09 0.00 -1.93 0.00 0.00 57.85 52.51 3kxp n ARG 245 Cb 0.58 -1.49 0.50 0.00 -1.16 0.00 0.00 32.46 30.89 3kxp n ARG 245 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kxp n PRO 246 N 1.69 0.12 0.14 5.56 -0.04 0.33 -1.99 135.00 140.80 3kxp n PRO 246 Ca 0.24 0.62 0.02 0.00 -0.04 0.00 0.00 63.50 64.34 3kxp n PRO 246 Cb 0.50 -1.91 0.04 0.00 -0.04 0.00 0.00 33.50 32.08 3kxp n PRO 246 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3kxp h ASP 247 N 0.00 0.00 -2.90 3.54 3.04 -1.93 -3.45 116.42 114.72 3kxp h ASP 247 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 3kxp h ASP 247 Cb 0.04 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.32 3kxp h ASP 247 CO 0.00 0.53 0.85 -0.76 -2.04 0.00 0.00 179.24 177.82 3kxp s LEU 248 N -6.52 4.31 0.46 0.15 1.43 -0.84 -4.98 118.68 112.69 3kxp s LEU 248 Ca 0.03 2.08 -0.24 0.00 -1.03 0.00 0.00 54.13 54.97 3kxp s LEU 248 Cb 0.08 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 3kxp s LEU 248 CO 0.75 -0.73 1.33 -2.16 0.23 0.00 0.00 176.35 175.77 3kxp s PRO 249 N 2.58 3.63 -0.01 1.29 0.04 -1.25 -4.85 135.00 136.43 3kxp s PRO 249 Ca 0.63 2.19 0.06 0.00 0.04 0.00 0.00 61.00 63.92 3kxp s PRO 249 Cb -0.30 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 3kxp s PRO 249 CO 0.26 -0.78 -0.18 0.08 0.04 0.00 0.00 177.00 176.42 3kxp s VAL 250 N -1.30 1.40 -0.08 -0.36 1.01 -1.26 -0.97 120.40 118.84 3kxp s VAL 250 Ca 0.63 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 3kxp s VAL 250 Cb -0.39 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 34.84 3kxp s VAL 250 CO 0.48 0.36 -0.05 -0.69 0.00 0.00 0.00 175.10 175.20 3kxp s VAL 251 N -0.47 0.73 -0.29 2.92 1.01 0.55 -4.96 120.40 119.90 3kxp s VAL 251 Ca 0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 3kxp s VAL 251 Cb -0.07 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.55 3kxp s VAL 251 CO -0.00 0.30 0.04 -0.69 0.00 0.00 0.00 175.10 174.75 3kxp s VAL 252 N 1.50 3.63 -0.52 2.92 1.01 -1.26 -1.25 120.40 126.43 3kxp s VAL 252 Ca -0.01 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 3kxp s VAL 252 Cb -0.13 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.40 3kxp s VAL 252 CO -0.04 0.09 0.88 -0.69 0.00 0.00 0.00 175.10 175.34 3kxp s VAL 253 N 1.44 4.48 0.36 2.92 1.01 -0.04 -4.81 120.40 125.75 3kxp s VAL 253 Ca 0.01 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 3kxp s VAL 253 Cb -0.17 -4.47 -0.11 0.00 0.00 0.00 0.00 36.38 31.63 3kxp s VAL 253 CO 0.01 -1.00 1.45 -2.84 0.00 0.00 0.00 175.10 172.71 3kxp s PRO 254 N 3.70 4.18 0.00 2.72 0.02 -1.26 -1.47 135.00 142.88 3kxp s PRO 254 Ca 0.29 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.79 3kxp s PRO 254 Cb -0.13 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3kxp s PRO 254 CO 0.19 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 3kxp n GLY 255 N 0.71 1.36 3.65 0.52 0.00 -1.26 -4.92 105.19 105.25 3kxp n GLY 255 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3kxp n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxp s ALA 256 N -3.42 3.17 0.10 4.61 0.00 -1.06 -4.95 121.76 120.20 3kxp s ALA 256 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3kxp s ALA 256 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3kxp s ALA 256 CO 0.00 0.63 0.00 -0.40 0.00 0.00 0.00 175.76 175.99 3kxp n ASP 257 N 1.47 0.00 -0.24 0.00 3.85 -1.26 -0.79 116.55 119.58 3kxp n ASP 257 Ca -0.15 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 53.94 3kxp n ASP 257 Cb 0.53 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 40.53 3kxp n ASP 257 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 3kxp h HIS 258 N 0.00 0.98 -0.68 2.11 -0.00 -1.88 -3.28 115.15 112.39 3kxp h HIS 258 Ca 0.00 0.02 -0.73 0.00 -0.00 0.00 0.00 60.37 59.66 3kxp h HIS 258 Cb 0.00 -0.33 -0.09 0.00 -0.00 0.00 0.00 27.41 26.99 3kxp h HIS 258 CO 0.00 0.60 2.64 0.66 -0.00 0.00 0.00 177.93 181.84 3kxp n TYR 259 N -4.43 3.14 0.36 5.26 4.01 -1.26 -4.82 117.16 119.42 3kxp n TYR 259 Ca 0.09 -2.89 -0.18 0.00 -0.16 0.00 0.00 57.90 54.76 3kxp n TYR 259 Cb 0.05 -2.24 -0.09 0.00 -0.31 0.00 0.00 39.34 36.76 3kxp n TYR 259 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kxp h VAL 260 N 3.74 0.23 0.00 -0.72 2.07 -1.94 -2.01 116.25 117.62 3kxp h VAL 260 Ca 0.52 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.03 3kxp h VAL 260 Cb 0.59 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3kxp h VAL 260 CO 1.74 0.00 -0.02 -0.55 0.02 0.00 0.00 177.57 178.76 3kxp h ASN 261 N -0.96 0.00 0.49 0.57 7.08 -1.88 0.18 115.58 121.06 3kxp h ASN 261 Ca -0.08 0.00 -0.30 0.00 -3.08 0.00 0.00 56.30 52.84 3kxp h ASN 261 Cb 0.77 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.97 3kxp h ASN 261 CO 0.09 0.02 -1.64 -0.33 -2.08 0.00 0.00 177.43 173.49 3kxp h GLU 262 N 0.00 0.08 0.00 4.14 5.08 -1.94 -3.20 114.58 118.73 3kxp h GLU 262 Ca -0.00 -0.13 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 3kxp h GLU 262 Cb 0.04 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3kxp h GLU 262 CO 0.00 0.75 -1.24 0.28 -1.00 0.00 0.00 179.01 177.81 3kxp h VAL 263 N 0.02 1.36 -2.07 3.13 2.07 -1.13 -3.40 116.25 116.23 3kxp h VAL 263 Ca -0.27 -3.11 -0.57 0.00 0.82 0.00 0.00 66.70 63.58 3kxp h VAL 263 Cb 1.99 2.67 -0.40 0.00 -1.52 0.00 0.00 31.29 34.03 3kxp h VAL 263 CO 0.10 0.78 -0.94 -1.20 0.02 0.00 0.00 177.57 176.32 3kxp n SER 264 N -3.23 1.51 -0.32 0.57 7.64 0.61 -4.97 113.62 115.43 3kxp n SER 264 Ca -0.06 -2.99 -0.02 0.00 1.01 0.00 0.00 58.87 56.81 3kxp n SER 264 Cb 0.97 -0.64 0.10 0.00 -1.01 0.00 0.00 64.21 63.63 3kxp n SER 264 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kxp h PRO 265 N 3.90 1.09 -0.01 1.43 0.13 -1.74 -1.96 132.00 134.84 3kxp h PRO 265 Ca 0.11 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3kxp h PRO 265 Cb 0.81 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3kxp h PRO 265 CO 0.59 0.72 -0.01 0.93 -0.23 0.00 0.00 178.00 180.01 3kxp h GLU 266 N 1.13 0.03 -0.16 0.86 4.39 -1.93 -1.64 114.58 117.25 3kxp h GLU 266 Ca 0.34 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.96 3kxp h GLU 266 Cb -0.04 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3kxp h GLU 266 CO -0.10 0.44 -0.20 0.82 -1.16 0.00 0.00 179.01 178.80 3kxp h ILE 267 N -0.38 1.22 -0.14 3.13 2.04 -1.97 -1.72 117.51 119.69 3kxp h ILE 267 Ca 0.00 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3kxp h ILE 267 Cb 0.43 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3kxp h ILE 267 CO 0.00 0.32 0.04 0.74 0.00 0.00 0.00 178.15 179.25 3kxp h THR 268 N 0.26 1.19 0.17 -0.27 2.02 -1.27 0.13 112.91 115.14 3kxp h THR 268 Ca 0.05 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 3kxp h THR 268 Cb 0.51 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3kxp h THR 268 CO 0.03 0.18 -0.13 0.25 0.37 0.00 0.00 175.52 176.22 3kxp h LEU 269 N 0.03 -0.34 -0.97 2.58 5.85 -1.04 0.52 115.31 121.94 3kxp h LEU 269 Ca 0.04 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3kxp h LEU 269 Cb 0.24 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3kxp h LEU 269 CO -0.00 -0.21 0.63 0.50 -0.34 0.00 0.00 178.44 179.02 3kxp h LYS 270 N -0.31 1.16 -0.65 1.25 3.11 -1.26 0.30 116.57 120.18 3kxp h LYS 270 Ca -0.01 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.73 3kxp h LYS 270 Cb 0.28 -0.26 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 3kxp h LYS 270 CO -0.01 0.77 0.27 0.00 -2.81 0.00 0.00 179.45 177.66 3kxp h ALA 271 N 1.41 0.84 -0.11 5.00 0.00 -0.28 -0.26 119.26 125.86 3kxp h ALA 271 Ca 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kxp h ALA 271 Cb 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kxp h ALA 271 CO -0.14 0.45 0.02 0.82 0.00 0.00 0.00 179.25 180.40 3kxp h ILE 272 N 0.91 1.21 -0.61 0.00 2.04 0.07 -2.99 117.51 118.14 3kxp h ILE 272 Ca 0.22 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3kxp h ILE 272 Cb 0.20 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3kxp h ILE 272 CO -0.02 0.19 0.30 0.71 0.00 0.00 0.00 178.15 179.34 3kxp h THR 273 N -0.04 1.21 -0.01 -0.27 1.35 -0.82 -0.98 112.91 113.34 3kxp h THR 273 Ca 0.03 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3kxp h THR 273 Cb 0.28 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 3kxp h THR 273 CO 0.00 0.24 0.08 0.78 -0.25 0.00 0.00 175.52 176.37 3kxp h ASN 274 N 0.84 0.00 0.00 5.36 2.35 -1.03 -1.35 115.58 121.75 3kxp h ASN 274 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3kxp h ASN 274 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3kxp h ASN 274 CO -0.03 0.00 -0.34 0.15 -1.65 0.00 0.00 177.43 175.57 3kxp h PHE 275 N 0.00 0.00 0.00 1.19 -0.00 -1.08 -3.36 116.94 113.70 3kxp h PHE 275 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.95 3kxp h PHE 275 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.12 3kxp h PHE 275 CO 0.00 0.00 -0.12 -0.84 -0.00 0.00 0.00 178.31 177.35 3kxp h ILE 276 N -0.80 0.37 -0.02 1.41 3.07 -1.20 -3.13 117.51 117.21 3kxp h ILE 276 Ca 0.00 -0.76 0.00 0.00 1.55 0.00 0.00 64.86 65.65 3kxp h ILE 276 Cb 0.34 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 3kxp h ILE 276 CO 0.00 0.12 -0.03 0.47 -1.05 0.00 0.00 178.15 177.66 3kxp n ASP 277 N -3.34 2.15 0.00 2.16 8.00 -0.52 -5.09 116.55 119.91 3kxp n ASP 277 Ca -0.00 -1.69 0.02 0.00 0.71 0.00 0.00 54.79 53.82 3kxp n ASP 277 Cb 0.33 0.02 0.10 0.00 -0.02 0.00 0.00 41.12 41.56 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81