#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 3.47 -0.08 4.41 0.40 -1.26 -4.92 117.98 120.00 3kxp s PHE 12 Ca 0.00 1.10 0.03 0.00 -0.60 0.00 0.00 56.93 57.46 3kxp s PHE 12 Cb 0.00 -2.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.02 3kxp s PHE 12 CO 0.00 -0.16 -0.19 0.96 0.70 0.00 0.00 175.22 176.54 3kxp s ILE 13 N -2.43 2.61 0.09 0.64 -4.36 -0.58 -4.93 121.20 112.24 3kxp s ILE 13 Ca 0.52 -0.85 0.07 0.00 -0.26 0.00 0.00 60.65 60.12 3kxp s ILE 13 Cb -0.10 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 3kxp s ILE 13 CO 0.32 0.56 -0.09 -0.44 0.24 0.00 0.00 174.94 175.53 3kxp s SER 14 N -0.10 4.46 -0.11 4.36 0.01 -1.26 -0.19 113.70 120.87 3kxp s SER 14 Ca -0.03 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 3kxp s SER 14 Cb -0.14 -0.89 0.10 0.00 0.21 0.00 0.00 66.02 65.30 3kxp s SER 14 CO 0.04 0.19 0.82 0.00 0.41 0.00 0.00 173.24 174.70 3kxp s ARG 15 N -2.12 0.84 -0.24 12.44 1.70 -0.73 -4.98 118.95 125.85 3kxp s ARG 15 Ca 0.21 0.25 -0.22 0.00 -0.47 0.00 0.00 55.73 55.50 3kxp s ARG 15 Cb -0.11 0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 3kxp s ARG 15 CO 0.13 -0.25 0.71 1.03 -1.08 0.00 0.00 175.30 175.84 3kxp s ARG 16 N -1.05 4.15 -0.28 3.89 0.52 -1.26 -0.95 118.95 123.97 3kxp s ARG 16 Ca -0.06 0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 55.77 3kxp s ARG 16 Cb -0.01 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 3kxp s ARG 16 CO 0.06 -0.43 0.15 0.08 0.02 0.00 0.00 175.30 175.18 3kxp s VAL 17 N 2.56 4.87 -0.35 3.52 1.01 0.89 -4.90 120.40 128.00 3kxp s VAL 17 Ca 0.30 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 3kxp s VAL 17 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.88 3kxp s VAL 17 CO 0.08 0.22 0.88 -0.62 0.00 0.00 0.00 175.10 175.66 3kxp s ASP 18 N 1.69 6.67 -0.28 3.32 3.68 -1.26 -1.31 116.67 129.17 3kxp s ASP 18 Ca 0.06 0.58 0.10 0.00 2.13 0.00 0.00 52.55 55.43 3kxp s ASP 18 Cb -0.16 -2.44 0.54 0.00 -1.45 0.00 0.00 42.92 39.41 3kxp s ASP 18 CO 0.08 -0.79 1.52 2.30 0.13 0.00 0.00 175.17 178.42 3kxp n ILE 19 N 5.84 2.58 0.00 4.11 -5.35 -0.40 -5.01 119.36 121.14 3kxp n ILE 19 Ca 0.06 -2.37 0.00 0.00 -0.27 0.00 0.00 62.75 60.17 3kxp n ILE 19 Cb 0.48 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.92 2.27 0.27 3.28 0.00 -1.26 -4.39 105.19 104.44 3kxp n GLY 20 Ca 0.34 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.31 1.61 0.11 -1.99 -3.45 114.38 109.35 3kxp h ARG 21 Ca 0.00 0.00 0.33 0.00 0.10 0.00 0.00 59.98 60.41 3kxp h ARG 21 Cb 0.00 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 30.93 3kxp h ARG 21 CO 0.00 0.00 0.88 -1.50 0.10 0.00 0.00 179.97 179.45 3kxp s ILE 22 N -3.86 0.00 -0.19 0.08 2.07 -1.26 -5.15 121.20 112.89 3kxp s ILE 22 Ca -0.03 -0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 3kxp s ILE 22 Cb 0.10 -1.69 0.00 0.00 0.13 0.00 0.00 42.46 41.01 3kxp s ILE 22 CO 0.38 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.40 3kxp s THR 23 N -2.29 2.85 -0.08 4.00 2.01 -1.26 -1.27 115.64 119.59 3kxp s THR 23 Ca 0.13 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.48 3kxp s THR 23 Cb 0.04 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 3kxp s THR 23 CO -0.04 0.48 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.42 3kxp s LEU 24 N 1.25 2.46 0.41 4.42 1.43 -0.42 -1.59 118.68 126.63 3kxp s LEU 24 Ca 0.03 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 3kxp s LEU 24 Cb -0.14 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 3kxp s LEU 24 CO -0.05 0.24 1.03 0.21 0.23 0.00 0.00 176.35 178.01 3kxp s ASN 25 N -0.09 6.75 0.04 2.29 2.47 -1.26 -0.08 114.94 125.06 3kxp s ASN 25 Ca -0.04 1.98 -0.04 0.00 0.42 0.00 0.00 52.86 55.19 3kxp s ASN 25 Cb -0.14 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 37.06 3kxp s ASN 25 CO 0.04 -0.49 0.05 -0.69 -3.72 0.00 0.00 177.10 172.28 3kxp s VAL 26 N -1.74 0.15 -0.20 -5.21 1.01 -0.13 -2.04 120.40 112.23 3kxp s VAL 26 Ca 0.59 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3kxp s VAL 26 Cb -0.20 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.32 3kxp s VAL 26 CO 0.25 -0.66 -0.15 -0.13 0.00 0.00 0.00 175.10 174.41 3kxp s ARG 27 N -2.64 2.51 0.11 2.72 0.52 -0.28 -1.78 118.95 120.10 3kxp s ARG 27 Ca -0.05 -0.92 0.09 0.00 -0.52 0.00 0.00 55.73 54.33 3kxp s ARG 27 Cb -0.01 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 3kxp s ARG 27 CO -0.05 -0.35 -0.18 -2.00 0.02 0.00 0.00 175.30 172.75 3kxp s GLU 28 N 1.30 1.84 -0.26 3.54 2.12 0.73 -1.32 118.70 126.65 3kxp s GLU 28 Ca 0.00 -1.14 -0.26 0.00 0.36 0.00 0.00 54.97 53.93 3kxp s GLU 28 Cb -0.15 -2.13 0.13 0.00 0.26 0.00 0.00 34.13 32.23 3kxp s GLU 28 CO -0.10 0.49 1.06 0.21 -0.54 0.00 0.00 175.26 176.38 3kxp s LYS 29 N -2.05 0.49 0.26 4.30 2.20 -0.64 -1.53 119.74 122.76 3kxp s LYS 29 Ca 0.18 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 3kxp s LYS 29 Cb -0.11 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 3kxp s LYS 29 CO 0.10 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 3kxp n GLY 30 N 1.83 -1.79 3.27 5.54 0.00 -1.26 -0.86 105.19 111.93 3kxp n GLY 30 Ca -0.12 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.99 -0.07 0.00 1.61 1.04 -1.11 -4.66 113.70 106.51 3kxp s SER 31 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3kxp s SER 31 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3kxp s SER 31 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3kxp n GLY 32 N -0.16 -0.55 3.61 7.32 0.00 -1.26 -1.62 105.19 112.54 3kxp n GLY 32 Ca -0.15 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 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 1.46 -1.27 1.61 -0.02 -1.26 -3.62 135.00 131.91 3kxp n PRO 33 Ca 0.00 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 3kxp n PRO 33 Cb 0.00 -2.00 0.24 0.00 -0.02 0.00 0.00 33.50 31.72 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 -0.19 1.06 -0.28 2.45 2.96 -1.26 -1.25 118.68 122.16 3kxp s LEU 34 Ca 0.60 0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 54.72 3kxp s LEU 34 Cb -0.61 -2.18 0.13 0.00 0.50 0.00 0.00 46.19 44.03 3kxp s LEU 34 CO 0.59 -3.97 1.05 -0.76 -1.32 0.00 0.00 176.35 171.94 3kxp s LEU 36 N -6.77 -0.43 -0.14 -0.68 1.43 -0.31 -1.67 118.68 110.10 3kxp s LEU 36 Ca 0.73 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 3kxp s LEU 36 Cb -0.07 1.83 -0.00 0.00 0.03 0.00 0.00 46.19 47.97 3kxp s LEU 36 CO 0.55 -0.14 -0.16 -0.36 0.23 0.00 0.00 176.35 176.47 3kxp s PHE 37 N 0.33 2.76 -0.12 0.29 0.40 0.17 -1.33 117.98 120.48 3kxp s PHE 37 Ca 0.02 -0.94 0.02 0.00 -0.60 0.00 0.00 56.93 55.43 3kxp s PHE 37 Cb -0.05 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.64 3kxp s PHE 37 CO -0.08 -0.40 -0.18 -0.06 0.70 0.00 0.00 175.22 175.20 3kxp s PHE 38 N 0.65 2.19 1.01 0.36 0.40 -0.63 -1.45 117.98 120.50 3kxp s PHE 38 Ca -0.08 -1.04 -0.16 0.00 -0.60 0.00 0.00 56.93 55.05 3kxp s PHE 38 Cb -0.16 -1.54 0.21 0.00 0.51 0.00 0.00 43.02 42.05 3kxp s PHE 38 CO 0.02 -0.50 1.26 -3.38 0.70 0.00 0.00 175.22 173.32 3kxp s HIS 39 N 0.89 1.45 0.63 0.36 -3.43 -1.26 -0.98 115.29 112.95 3kxp s HIS 39 Ca -0.08 0.41 -0.03 0.00 -0.80 0.00 0.00 55.06 54.56 3kxp s HIS 39 Cb -0.15 -3.90 0.05 0.00 -1.43 0.00 0.00 32.58 27.15 3kxp s HIS 39 CO -0.01 -2.88 0.91 0.20 -2.00 0.00 0.00 174.74 170.96 3kxp s GLY 40 N -4.60 1.74 0.27 -1.38 0.00 -1.15 -1.55 107.32 100.64 3kxp s GLY 40 Ca 0.72 -1.07 -0.31 0.00 0.00 0.00 0.00 44.72 44.06 3kxp s GLY 40 CO 0.53 -0.72 1.60 4.51 0.00 0.00 0.00 173.10 179.02 3kxp n ILE 41 N -2.67 0.78 -0.64 0.90 3.06 -1.26 -2.06 119.36 117.47 3kxp n ILE 41 Ca 0.08 -0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 3kxp n ILE 41 Cb 0.60 -1.89 0.00 0.00 0.54 0.00 0.00 39.64 38.89 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 2.51 0.00 -1.84 9.51 -2.24 -1.26 -5.00 114.28 115.96 3kxp n THR 42 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3kxp n THR 42 Cb 0.35 -0.06 0.00 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 0.00 -3.24 3.42 2.88 -0.87 -4.93 113.62 110.87 3kxp n SER 43 Ca 0.00 -0.27 -0.07 0.00 -1.33 0.00 0.00 58.87 57.21 3kxp n SER 43 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.00 -0.05 0.28 -3.46 2.20 -1.26 -4.37 114.94 107.27 3kxp s ASN 44 Ca 0.00 -0.89 -0.00 0.00 -0.94 0.00 0.00 52.86 51.03 3kxp s ASN 44 Cb 0.00 0.72 0.49 0.00 -2.00 0.00 0.00 41.25 40.46 3kxp s ASN 44 CO 0.00 -1.41 1.86 0.77 -2.94 0.00 0.00 177.10 175.38 3kxp h SER 45 N 2.00 0.98 -1.52 3.54 4.64 -1.91 -3.06 113.55 118.21 3kxp h SER 45 Ca -0.28 0.03 0.46 0.00 -0.47 0.00 0.00 61.79 61.52 3kxp h SER 45 Cb 1.24 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 63.07 3kxp h SER 45 CO 0.35 0.57 1.06 0.00 -0.87 0.00 0.00 176.83 177.95 3kxp h ALA 46 N 1.50 3.24 0.00 5.18 0.00 -1.94 0.49 119.26 127.72 3kxp h ALA 46 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3kxp h ALA 46 Cb 0.34 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kxp h ALA 46 CO -0.22 -1.76 0.01 0.28 0.00 0.00 0.00 179.25 177.56 3kxp h VAL 47 N 0.05 0.00 -0.00 0.00 2.07 -1.89 -2.83 116.25 113.65 3kxp h VAL 47 Ca 0.79 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.31 3kxp h VAL 47 Cb 2.89 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 3kxp h VAL 47 CO -0.15 0.00 -0.71 0.49 0.02 0.00 0.00 177.57 177.22 3kxp n PHE 48 N -3.02 0.00 -0.32 1.57 3.01 0.16 -4.50 117.46 114.37 3kxp n PHE 48 Ca -0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.54 3kxp n PHE 48 Cb 0.07 -0.10 0.29 0.00 -0.01 0.00 0.00 39.48 39.73 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 0.32 0.56 -0.33 -1.08 5.08 -1.66 -1.11 114.58 116.36 3kxp h GLU 49 Ca 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3kxp h GLU 49 Cb 0.52 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3kxp h GLU 49 CO 0.00 0.37 0.08 -1.35 -1.00 0.00 0.00 179.01 177.12 3kxp h PRO 50 N 0.58 0.48 -1.00 2.33 0.11 -1.83 -2.27 132.00 130.41 3kxp h PRO 50 Ca 0.53 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.53 3kxp h PRO 50 Cb 0.88 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 3kxp h PRO 50 CO -0.43 0.44 0.06 -0.11 -0.21 0.00 0.00 178.00 177.75 3kxp n LEU 51 N -4.36 3.16 0.00 2.35 7.94 -0.42 -4.19 117.00 121.48 3kxp n LEU 51 Ca 0.02 -1.60 0.00 0.00 -1.11 0.00 0.00 56.01 53.31 3kxp n LEU 51 Cb 0.17 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.59 3kxp n LEU 51 CO 0.37 0.53 0.00 2.30 -1.11 0.00 0.00 177.39 179.48 3kxp n ILE 53 N 0.31 0.00 0.62 1.96 -5.35 -0.86 -3.46 119.36 112.58 3kxp n ILE 53 Ca 0.06 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.66 3kxp n ILE 53 Cb 0.59 0.00 0.31 0.00 -1.74 0.00 0.00 39.64 38.79 3kxp n ILE 53 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3kxp n ARG 54 N 0.00 0.27 0.00 6.28 3.00 -1.26 -3.84 116.66 121.10 3kxp n ARG 54 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 3kxp n ARG 54 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 30.71 3kxp n ARG 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3kxp n LEU 55 N -2.18 0.57 -0.34 6.15 4.77 -1.22 -4.74 117.00 120.02 3kxp n LEU 55 Ca 0.05 -0.76 0.09 0.00 -0.03 0.00 0.00 56.01 55.36 3kxp n LEU 55 Cb 0.43 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.81 3kxp n LEU 55 CO 0.33 0.14 1.23 0.28 -1.33 0.00 0.00 177.39 178.04 3kxp h SER 56 N 0.00 0.84 -0.29 -1.43 0.02 -1.74 -1.42 113.55 109.52 3kxp h SER 56 Ca 0.00 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.09 3kxp h SER 56 Cb 0.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3kxp h SER 56 CO 0.00 0.42 0.31 -2.24 -1.14 0.00 0.00 176.83 174.18 3kxp h ASP 57 N 0.89 0.00 0.00 3.07 3.04 -1.85 -3.15 116.42 118.41 3kxp h ASP 57 Ca 0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.29 3kxp h ASP 57 Cb 0.61 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 3kxp h ASP 57 CO -0.27 0.00 0.00 -2.11 -2.04 0.00 0.00 179.24 174.82 3kxp n ARG 58 N -3.79 0.12 -4.03 4.15 1.85 -1.03 -4.82 116.66 109.11 3kxp n ARG 58 Ca 0.04 -0.34 -0.12 0.00 -1.00 0.00 0.00 57.85 56.44 3kxp n ARG 58 Cb 0.46 -0.60 -0.11 0.00 -1.05 0.00 0.00 32.46 31.16 3kxp n ARG 58 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3kxp s PHE 59 N -0.08 0.53 -0.68 2.89 0.40 -0.56 -3.99 117.98 116.49 3kxp s PHE 59 Ca 0.00 -0.51 -0.21 0.00 -0.60 0.00 0.00 56.93 55.61 3kxp s PHE 59 Cb 0.00 -0.33 0.09 0.00 0.51 0.00 0.00 43.02 43.29 3kxp s PHE 59 CO 0.00 -0.12 0.91 0.99 0.70 0.00 0.00 175.22 177.71 3kxp s THR 60 N -1.40 4.53 -0.12 0.64 2.01 -0.38 -2.75 115.64 118.16 3kxp s THR 60 Ca -0.12 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 60.95 3kxp s THR 60 Cb -0.10 -4.64 -0.04 0.00 0.01 0.00 0.00 72.50 67.73 3kxp s THR 60 CO -0.00 -1.37 0.57 0.42 -0.69 0.00 0.00 174.62 173.55 3kxp s THR 61 N 3.46 5.11 -0.06 -0.82 -4.23 -0.04 -4.43 115.64 114.63 3kxp s THR 61 Ca 0.21 1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 61.85 3kxp s THR 61 Cb -0.17 -3.91 0.03 0.00 1.34 0.00 0.00 72.50 69.79 3kxp s THR 61 CO 0.06 0.26 0.02 -0.63 -0.54 0.00 0.00 174.62 173.79 3kxp s ILE 62 N 0.96 0.24 -0.07 2.99 1.01 -1.26 -1.62 121.20 123.45 3kxp s ILE 62 Ca 0.30 0.21 -0.11 0.00 0.00 0.00 0.00 60.65 61.04 3kxp s ILE 62 Cb -0.16 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 3kxp s ILE 62 CO 0.13 0.24 0.28 0.00 0.00 0.00 0.00 174.94 175.59 3kxp s ALA 63 N 2.02 3.76 -0.06 9.38 0.00 -0.43 -0.66 121.76 135.77 3kxp s ALA 63 Ca 0.05 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.65 3kxp s ALA 63 Cb -0.12 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 3kxp s ALA 63 CO -0.05 0.49 -0.23 0.08 0.00 0.00 0.00 175.76 176.05 3kxp s VAL 64 N -0.87 1.93 -0.39 0.00 1.01 -0.53 -1.13 120.40 120.43 3kxp s VAL 64 Ca 0.19 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.94 3kxp s VAL 64 Cb -0.14 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3kxp s VAL 64 CO 0.08 0.54 0.83 -1.81 0.00 0.00 0.00 175.10 174.74 3kxp s ASP 65 N -0.07 6.55 0.63 3.32 -0.00 -0.87 -4.20 116.67 122.03 3kxp s ASP 65 Ca -0.05 0.30 -0.12 0.00 -0.00 0.00 0.00 52.55 52.69 3kxp s ASP 65 Cb -0.14 -2.41 -0.03 0.00 -0.00 0.00 0.00 42.92 40.34 3kxp s ASP 65 CO 0.04 -0.82 1.03 -1.10 -0.00 0.00 0.00 175.17 174.32 3kxp s GLN 66 N 3.27 3.47 0.15 8.23 -0.21 -1.26 -4.27 119.66 129.04 3kxp s GLN 66 Ca 0.33 0.83 -0.32 0.00 0.02 0.00 0.00 55.36 56.22 3kxp s GLN 66 Cb -0.12 -2.06 -0.17 0.00 1.00 0.00 0.00 33.01 31.65 3kxp s GLN 66 CO 0.19 -0.67 0.79 2.89 -2.12 0.00 0.00 175.29 176.36 3kxp n ARG 67 N -2.72 0.23 0.00 2.91 1.85 -1.26 -0.56 116.66 117.12 3kxp n ARG 67 Ca 0.06 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 3kxp n ARG 67 Cb 0.54 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.64 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 1.81 2.62 3.71 2.89 0.00 -0.41 -5.00 105.19 110.81 3kxp n GLY 68 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.24 2.65 0.00 1.61 3.76 0.28 -2.19 115.29 119.16 3kxp s HIS 69 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 3kxp s HIS 69 Cb 0.00 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.03 3kxp s HIS 69 CO 0.00 0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 3kxp n GLY 70 N -1.12 2.51 1.48 -2.22 0.00 -1.26 -1.70 105.19 102.87 3kxp n GLY 70 Ca -0.03 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 4.62 -4.95 0.99 4.77 -1.26 -4.69 117.00 116.48 3kxp n LEU 71 Ca 0.00 -2.49 -0.24 0.00 -0.03 0.00 0.00 56.01 53.26 3kxp n LEU 71 Cb 0.00 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.58 3kxp n LEU 71 CO 0.00 0.79 0.48 -0.44 -1.33 0.00 0.00 177.39 176.89 3kxp s SER 72 N -1.00 5.13 0.83 -1.43 0.01 -0.69 -4.41 113.70 112.14 3kxp s SER 72 Ca 0.49 0.26 -0.13 0.00 1.31 0.00 0.00 55.95 57.88 3kxp s SER 72 Cb 0.32 -1.07 0.09 0.00 0.21 0.00 0.00 66.02 65.57 3kxp s SER 72 CO 0.22 -1.31 1.19 0.47 0.41 0.00 0.00 173.24 174.23 3kxp n ASP 73 N -2.60 0.93 -3.35 2.44 8.00 -0.62 -4.64 116.55 116.71 3kxp n ASP 73 Ca 0.07 0.56 -0.26 0.00 0.71 0.00 0.00 54.79 55.88 3kxp n ASP 73 Cb 0.60 -1.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.10 3kxp n ASP 73 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kxp n LYS 74 N -3.43 0.65 -0.73 -1.24 5.02 -1.26 -1.29 118.16 115.89 3kxp n LYS 74 Ca 0.13 -3.37 -0.32 0.00 -2.02 0.00 0.00 58.31 52.73 3kxp n LYS 74 Cb 0.51 -1.56 0.15 0.00 -0.02 0.00 0.00 35.03 34.10 3kxp n LYS 74 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kxp n PRO 75 N 2.08 -0.63 0.08 1.97 -0.04 -1.26 -4.90 135.00 132.29 3kxp n PRO 75 Ca 0.26 -0.14 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 3kxp n PRO 75 Cb 0.49 -2.01 0.26 0.00 -0.04 0.00 0.00 33.50 32.20 3kxp n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3kxp h GLU 76 N -1.79 0.31 0.00 0.54 4.81 -2.02 -3.46 114.58 112.98 3kxp h GLU 76 Ca -0.46 -0.12 -0.35 0.00 -0.13 0.00 0.00 59.36 58.31 3kxp h GLU 76 Cb 1.29 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.56 3kxp h GLU 76 CO 0.38 0.58 -0.25 -2.37 -0.73 0.00 0.00 179.01 176.61 3kxp n THR 77 N -4.12 0.00 -0.94 0.32 5.66 -1.26 -4.84 114.28 109.11 3kxp n THR 77 Ca -0.01 -2.03 0.00 0.00 -3.05 0.00 0.00 64.05 58.96 3kxp n THR 77 Cb 0.40 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 3kxp n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kxp n GLY 78 N -0.61 0.14 2.43 1.09 0.00 -1.26 -5.05 105.19 101.93 3kxp n GLY 78 Ca 0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.63 2.05 -2.82 1.61 4.02 -1.26 -4.82 117.16 115.31 3kxp n TYR 79 Ca 0.00 -2.24 -0.19 0.00 -0.01 0.00 0.00 57.90 55.46 3kxp n TYR 79 Cb 0.31 -0.28 0.03 0.00 -0.02 0.00 0.00 39.34 39.38 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 -3.67 2.63 0.17 -0.72 0.41 -1.26 -4.18 118.70 112.08 3kxp s GLU 80 Ca 0.39 -1.04 -0.17 0.00 -0.41 0.00 0.00 54.97 53.74 3kxp s GLU 80 Cb 0.37 -2.61 0.10 0.00 -1.78 0.00 0.00 34.13 30.21 3kxp s GLU 80 CO -0.00 -0.55 1.66 0.00 -0.49 0.00 0.00 175.26 175.88 3kxp h ALA 81 N 0.31 0.23 -0.47 5.21 0.00 -1.97 -1.50 119.26 121.07 3kxp h ALA 81 Ca -0.40 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3kxp h ALA 81 Cb 1.29 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 3kxp h ALA 81 CO 0.48 -0.48 0.31 -0.91 0.00 0.00 0.00 179.25 178.66 3kxp h ASN 82 N -0.03 0.41 -0.23 0.00 -0.26 -1.97 0.75 115.58 114.25 3kxp h ASN 82 Ca 0.19 -0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.89 3kxp h ASN 82 Cb 0.33 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 3kxp h ASN 82 CO -0.43 0.28 -0.00 0.44 -1.06 0.00 0.00 177.43 176.65 3kxp h ASP 83 N 0.47 0.41 -0.35 5.81 3.32 -1.62 0.14 116.42 124.60 3kxp h ASP 83 Ca 0.20 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 3kxp h ASP 83 Cb 0.19 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3kxp h ASP 83 CO -0.05 0.62 -0.19 1.88 -1.72 0.00 0.00 179.24 179.78 3kxp h TYR 84 N 0.18 0.86 -0.45 4.55 -1.99 -0.80 -2.61 116.97 116.70 3kxp h TYR 84 Ca 0.07 -0.22 0.01 0.00 2.00 0.00 0.00 58.73 60.58 3kxp h TYR 84 Cb 0.42 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 3kxp h TYR 84 CO 0.04 0.95 0.29 0.00 -0.00 0.00 0.00 178.16 179.44 3kxp h ALA 85 N 0.78 0.57 0.00 3.88 0.00 0.61 -1.63 119.26 123.47 3kxp h ALA 85 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kxp h ALA 85 Cb 0.73 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kxp h ALA 85 CO 0.05 0.01 -0.14 -0.44 0.00 0.00 0.00 179.25 178.73 3kxp h ASP 86 N 0.60 0.00 -0.55 0.00 3.32 -0.69 -1.46 116.42 117.64 3kxp h ASP 86 Ca 0.17 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3kxp h ASP 86 Cb -0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3kxp h ASP 86 CO -0.05 0.14 -0.02 0.44 -1.72 0.00 0.00 179.24 178.03 3kxp h ASP 87 N 0.00 0.97 -0.13 6.45 3.45 -0.91 -1.16 116.42 125.09 3kxp h ASP 87 Ca -0.00 -0.32 -0.02 0.00 0.43 0.00 0.00 57.03 57.13 3kxp h ASP 87 Cb 0.34 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3kxp h ASP 87 CO 0.02 1.05 0.02 0.40 -1.57 0.00 0.00 179.24 179.16 3kxp h ILE 88 N 0.87 1.22 0.01 0.35 2.04 -0.82 -0.75 117.51 120.43 3kxp h ILE 88 Ca 0.15 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.34 3kxp h ILE 88 Cb 0.57 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3kxp h ILE 88 CO 0.03 0.21 -0.23 0.00 0.00 0.00 0.00 178.15 178.16 3kxp h ALA 89 N 0.80 -0.31 -0.95 1.87 0.00 -1.27 -1.47 119.26 117.94 3kxp h ALA 89 Ca 0.04 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kxp h ALA 89 Cb 0.30 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 3kxp h ALA 89 CO 0.00 -0.73 0.60 0.78 0.00 0.00 0.00 179.25 179.90 3kxp h GLY 90 N -0.36 1.45 1.01 0.00 0.00 -1.14 -1.78 103.07 102.25 3kxp h GLY 90 Ca 0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3kxp h GLY 90 CO -0.20 0.29 0.46 -2.00 0.00 0.00 0.00 176.54 175.09 3kxp h LEU 91 N 1.08 0.99 -0.42 3.11 6.46 -0.53 -0.32 115.31 125.67 3kxp h LEU 91 Ca 0.42 -0.09 -0.15 0.00 -0.12 0.00 0.00 57.88 57.94 3kxp h LEU 91 Cb 0.20 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3kxp h LEU 91 CO -0.18 0.79 -0.33 0.40 -0.62 0.00 0.00 178.44 178.50 3kxp h ILE 92 N 1.11 1.27 -0.45 4.05 2.04 -0.70 0.48 117.51 125.32 3kxp h ILE 92 Ca 0.29 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 3kxp h ILE 92 Cb 0.00 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3kxp h ILE 92 CO -0.05 0.51 -0.01 0.03 0.00 0.00 0.00 178.15 178.63 3kxp h ARG 93 N 0.80 0.79 -0.47 2.37 3.08 -1.11 -2.32 114.38 117.52 3kxp h ARG 93 Ca 0.08 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3kxp h ARG 93 Cb 0.92 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3kxp h ARG 93 CO 0.09 0.86 0.16 1.15 -1.07 0.00 0.00 179.97 181.16 3kxp h THR 94 N 0.64 1.22 0.00 2.04 2.02 -0.92 -2.32 112.91 115.58 3kxp h THR 94 Ca 0.12 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 3kxp h THR 94 Cb 0.51 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3kxp h THR 94 CO 0.02 0.26 -0.13 -0.07 0.37 0.00 0.00 175.52 175.98 3kxp h LEU 95 N 0.62 0.00 -2.26 2.58 3.38 -0.86 -3.47 115.31 115.31 3kxp h LEU 95 Ca 0.15 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.58 3kxp h LEU 95 Cb 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 3kxp h LEU 95 CO -0.01 0.13 -0.93 0.00 0.09 0.00 0.00 178.44 177.72 3kxp n ALA 96 N -2.27 -2.11 -1.81 1.53 0.00 -0.88 -4.89 120.51 110.08 3kxp n ALA 96 Ca -0.02 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.13 3kxp n ALA 96 Cb 0.25 -1.59 0.16 0.00 0.00 0.00 0.00 19.45 18.28 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 -4.50 1.30 0.00 0.00 1.74 -1.26 -5.11 116.66 108.83 3kxp n ARG 97 Ca -0.28 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 53.75 3kxp n ARG 97 Cb 0.67 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 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 -0.76 -1.22 3.53 -0.13 0.00 -1.26 -4.54 105.19 100.81 3kxp n GLY 98 Ca 0.17 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 3kxp n GLY 98 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kxp n HIS 99 N -1.39 -0.39 -4.26 1.61 -0.00 -1.26 -4.89 115.22 104.64 3kxp n HIS 99 Ca 0.00 0.25 -0.22 0.00 -0.00 0.00 0.00 57.72 57.76 3kxp n HIS 99 Cb 0.00 -1.85 -0.12 0.00 -0.00 0.00 0.00 29.99 28.02 3kxp n HIS 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kxp s ALA 100 N -2.49 1.63 -0.06 1.59 0.00 -0.16 -4.41 121.76 117.87 3kxp s ALA 100 Ca 0.63 -1.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.14 3kxp s ALA 100 Cb -0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3kxp s ALA 100 CO 0.63 0.27 0.69 0.42 0.00 0.00 0.00 175.76 177.76 3kxp s ILE 101 N -1.41 5.02 -0.26 0.00 1.01 -0.67 -1.25 121.20 123.63 3kxp s ILE 101 Ca 0.06 1.43 -0.07 0.00 0.00 0.00 0.00 60.65 62.06 3kxp s ILE 101 Cb -0.09 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3kxp s ILE 101 CO 0.04 0.27 0.06 -0.76 0.00 0.00 0.00 174.94 174.56 3kxp s LEU 102 N 0.66 3.54 -0.29 2.97 1.02 0.11 -1.16 118.68 125.53 3kxp s LEU 102 Ca 0.37 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 54.15 3kxp s LEU 102 Cb -0.18 -1.89 0.07 0.00 0.02 0.00 0.00 46.19 44.21 3kxp s LEU 102 CO 0.18 -0.09 -0.05 0.54 0.02 0.00 0.00 176.35 176.95 3kxp s VAL 103 N 1.56 2.23 0.10 -1.59 0.11 -0.44 0.15 120.40 122.52 3kxp s VAL 103 Ca 0.05 -1.89 0.09 0.00 -2.93 0.00 0.00 61.98 57.30 3kxp s VAL 103 Cb -0.16 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 3kxp s VAL 103 CO 0.03 -0.24 -0.23 -0.83 -3.33 0.00 0.00 175.10 170.50 3kxp s GLY 104 N 1.04 1.32 -0.20 6.54 0.00 -0.74 -1.61 107.32 113.67 3kxp s GLY 104 Ca -0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 3kxp s GLY 104 CO -0.06 -1.28 -0.10 -1.58 0.00 0.00 0.00 173.10 170.09 3kxp s HIS 105 N -1.10 2.89 0.00 1.90 2.46 -0.16 -0.43 115.29 120.86 3kxp s HIS 105 Ca 0.09 -1.14 0.00 0.00 0.47 0.00 0.00 55.06 54.47 3kxp s HIS 105 Cb -0.10 -2.03 0.00 0.00 -0.13 0.00 0.00 32.58 30.32 3kxp s HIS 105 CO 0.04 -0.61 0.00 0.45 -2.47 0.00 0.00 174.74 172.15 3kxp n SER 106 N 4.66 0.00 -0.32 9.88 2.88 0.14 -1.18 113.62 129.68 3kxp n SER 106 Ca -0.19 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.41 3kxp n SER 106 Cb 0.51 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.11 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 -0.77 -1.38 2.46 5.85 -1.90 0.59 115.31 120.16 3kxp h LEU 107 Ca 0.00 0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 3kxp h LEU 107 Cb 0.00 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3kxp h LEU 107 CO 0.00 -0.30 0.03 1.23 -0.34 0.00 0.00 178.44 179.06 3kxp h GLY 108 N 0.01 0.47 0.90 3.75 0.00 -0.09 -0.34 103.07 107.77 3kxp h GLY 108 Ca 0.46 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 3kxp h GLY 108 CO -0.92 0.24 -0.41 0.00 0.00 0.00 0.00 176.54 175.45 3kxp h ALA 109 N 1.61 0.27 0.11 3.60 0.00 -0.01 -1.19 119.26 123.63 3kxp h ALA 109 Ca 0.10 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3kxp h ALA 109 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kxp h ALA 109 CO 0.00 0.38 -0.17 -0.09 0.00 0.00 0.00 179.25 179.37 3kxp h ARG 110 N 0.21 -0.33 -1.00 0.00 1.12 -0.52 -1.46 114.38 112.40 3kxp h ARG 110 Ca -0.01 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 58.93 3kxp h ARG 110 Cb 1.02 0.07 -0.06 0.00 -0.01 0.00 0.00 29.97 31.00 3kxp h ARG 110 CO 0.09 -0.22 0.65 -0.91 -3.11 0.00 0.00 179.97 176.47 3kxp h ASN 111 N -0.34 1.08 0.05 -3.80 2.35 -1.06 -2.41 115.58 111.44 3kxp h ASN 111 Ca 0.02 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3kxp h ASN 111 Cb 0.36 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3kxp h ASN 111 CO -0.09 0.73 -0.02 0.28 -1.65 0.00 0.00 177.43 176.67 3kxp h SER 112 N 1.25 -0.06 -0.32 5.81 0.02 -0.68 -1.14 113.55 118.43 3kxp h SER 112 Ca 0.40 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3kxp h SER 112 Cb 0.03 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3kxp h SER 112 CO -0.13 0.16 0.08 0.58 -1.14 0.00 0.00 176.83 176.38 3kxp h VAL 113 N -0.27 1.19 -0.43 2.27 2.07 -1.22 -0.39 116.25 119.46 3kxp h VAL 113 Ca -0.01 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3kxp h VAL 113 Cb 0.25 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3kxp h VAL 113 CO 0.01 0.25 0.18 0.74 0.02 0.00 0.00 177.57 178.77 3kxp h THR 114 N 0.58 1.20 -0.44 2.57 2.02 -1.30 -1.50 112.91 116.04 3kxp h THR 114 Ca 0.13 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 3kxp h THR 114 Cb 0.25 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3kxp h THR 114 CO -0.00 0.22 0.13 0.00 0.37 0.00 0.00 175.52 176.24 3kxp h ALA 115 N 1.03 0.58 -0.79 6.16 0.00 -0.39 -1.78 119.26 124.07 3kxp h ALA 115 Ca 0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3kxp h ALA 115 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3kxp h ALA 115 CO -0.01 0.24 0.30 0.00 0.00 0.00 0.00 179.25 179.77 3kxp h ALA 116 N 0.98 1.02 -0.61 0.00 0.00 -0.96 0.45 119.26 120.15 3kxp h ALA 116 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3kxp h ALA 116 Cb 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3kxp h ALA 116 CO -0.00 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.09 3kxp h ALA 117 N 1.16 0.80 0.13 0.00 0.00 -1.16 -2.61 119.26 117.59 3kxp h ALA 117 Ca 0.26 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 3kxp h ALA 117 Cb 0.24 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kxp h ALA 117 CO -0.02 0.48 -1.24 -0.22 0.00 0.00 0.00 179.25 178.25 3kxp h LYS 118 N 0.88 0.37 -2.10 0.00 1.63 -0.93 -3.41 116.57 113.01 3kxp h LYS 118 Ca 0.20 -0.58 -0.56 0.00 -0.85 0.00 0.00 60.65 58.85 3kxp h LYS 118 Cb 0.30 0.21 -0.40 0.00 -0.60 0.00 0.00 32.23 31.74 3kxp h LYS 118 CO -0.00 1.26 -0.90 0.66 -3.45 0.00 0.00 179.45 177.01 3kxp n TYR 119 N -3.62 1.54 -0.34 1.91 4.02 0.16 -4.97 117.16 115.85 3kxp n TYR 119 Ca -0.10 -3.84 0.14 0.00 -0.01 0.00 0.00 57.90 54.08 3kxp n TYR 119 Cb 1.01 -0.44 0.33 0.00 -0.02 0.00 0.00 39.34 40.22 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 3.76 0.61 0.00 -0.72 0.13 -1.67 -1.44 132.00 132.67 3kxp h PRO 120 Ca 0.12 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3kxp h PRO 120 Cb 0.78 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 3kxp h PRO 120 CO 0.63 0.40 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.35 3kxp h ASP 121 N 0.63 0.00 0.92 1.44 5.19 -1.93 -2.44 116.42 120.22 3kxp h ASP 121 Ca 0.59 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.00 3kxp h ASP 121 Cb 1.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.53 3kxp h ASP 121 CO -0.44 0.01 -0.86 -0.07 -3.12 0.00 0.00 179.24 174.76 3kxp h LEU 122 N 0.00 0.00 -7.98 1.55 3.38 -1.65 -3.42 115.31 107.19 3kxp h LEU 122 Ca -0.00 -0.10 -0.60 0.00 0.09 0.00 0.00 57.88 57.27 3kxp h LEU 122 Cb 0.11 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.51 3kxp h LEU 122 CO 0.00 0.05 -0.84 0.54 0.09 0.00 0.00 178.44 178.29 3kxp s VAL 123 N -3.28 1.55 0.07 1.22 0.11 -0.92 -0.98 120.40 118.16 3kxp s VAL 123 Ca 0.02 -0.65 -0.20 0.00 -2.93 0.00 0.00 61.98 58.22 3kxp s VAL 123 Cb 0.11 -1.43 -0.10 0.00 -1.53 0.00 0.00 36.38 33.43 3kxp s VAL 123 CO 0.77 0.45 1.48 -0.09 -3.33 0.00 0.00 175.10 174.38 3kxp h ARG 124 N 7.63 0.37 -2.51 1.54 2.43 -1.43 -3.46 114.38 118.95 3kxp h ARG 124 Ca -0.33 -0.13 0.12 0.00 -0.81 0.00 0.00 59.98 58.83 3kxp h ARG 124 Cb 1.16 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.58 3kxp h ARG 124 CO 0.51 0.59 0.41 -1.54 -1.51 0.00 0.00 179.97 178.43 3kxp s SER 125 N -5.91 -0.29 -0.02 -3.80 1.04 -1.25 -4.35 113.70 99.13 3kxp s SER 125 Ca -0.14 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.05 3kxp s SER 125 Cb 0.07 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 3kxp s SER 125 CO 0.74 -0.90 -0.11 -0.69 0.98 0.00 0.00 173.24 173.26 3kxp s VAL 126 N -3.40 0.89 -0.36 5.02 1.01 -0.01 0.07 120.40 123.63 3kxp s VAL 126 Ca 0.09 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3kxp s VAL 126 Cb -0.02 -0.76 0.10 0.00 0.00 0.00 0.00 36.38 35.70 3kxp s VAL 126 CO -0.02 0.26 0.09 -0.69 0.00 0.00 0.00 175.10 174.74 3kxp s VAL 127 N -0.12 2.66 -0.61 2.92 1.01 0.39 -0.45 120.40 126.20 3kxp s VAL 127 Ca 0.02 -2.16 -0.20 0.00 0.00 0.00 0.00 61.98 59.63 3kxp s VAL 127 Cb -0.06 -2.87 0.09 0.00 0.00 0.00 0.00 36.38 33.54 3kxp s VAL 127 CO -0.00 -0.58 0.80 0.00 0.00 0.00 0.00 175.10 175.32 3kxp s ALA 128 N 1.01 3.30 -0.48 5.51 0.00 -0.51 -1.78 121.76 128.81 3kxp s ALA 128 Ca 0.08 -2.03 -0.22 0.00 0.00 0.00 0.00 51.96 49.79 3kxp s ALA 128 Cb -0.20 -3.64 0.03 0.00 0.00 0.00 0.00 23.12 19.31 3kxp s ALA 128 CO -0.06 -2.48 0.73 0.42 0.00 0.00 0.00 175.76 174.37 3kxp s ILE 129 N 3.21 4.71 -1.22 0.00 1.01 0.42 -1.84 121.20 127.50 3kxp s ILE 129 Ca 0.16 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 3kxp s ILE 129 Cb -0.21 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.94 3kxp s ILE 129 CO 0.08 -0.77 0.97 -0.67 0.00 0.00 0.00 174.94 174.55 3kxp n ASP 130 N 6.59 -2.16 -3.15 3.58 2.03 0.19 -0.69 116.55 122.94 3kxp n ASP 130 Ca -0.01 -0.64 0.04 0.00 0.52 0.00 0.00 54.79 54.70 3kxp n ASP 130 Cb 0.47 -4.98 -0.00 0.00 -0.72 0.00 0.00 41.12 35.89 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 -3.40 -1.79 0.45 -0.67 2.19 -1.26 -4.28 117.98 109.22 3kxp s PHE 131 Ca 0.03 1.08 0.01 0.00 0.33 0.00 0.00 56.93 58.39 3kxp s PHE 131 Cb -0.02 0.32 0.01 0.00 -1.31 0.00 0.00 43.02 42.03 3kxp s PHE 131 CO 0.74 -1.04 0.12 0.25 1.83 0.00 0.00 175.22 177.12 3kxp n THR 132 N 5.41 0.00 -2.06 0.12 -2.24 -1.26 -4.60 114.28 109.65 3kxp n THR 132 Ca 0.05 -2.01 -0.29 0.00 -2.27 0.00 0.00 64.05 59.53 3kxp n THR 132 Cb 0.54 0.24 0.19 0.00 -2.10 0.00 0.00 70.33 69.20 3kxp n THR 132 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3kxp s PRO 133 N -3.71 0.62 -1.13 -0.78 0.02 -1.26 -4.33 135.00 124.43 3kxp s PRO 133 Ca 0.09 -0.63 0.00 0.00 0.02 0.00 0.00 61.00 60.49 3kxp s PRO 133 Cb -0.01 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.60 3kxp s PRO 133 CO 0.06 -2.38 0.00 0.66 -0.33 0.00 0.00 177.00 175.01 3kxp n TYR 134 N -3.67 0.00 -2.18 6.54 4.02 -1.26 -4.80 117.16 115.81 3kxp n TYR 134 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.63 3kxp n TYR 134 Cb 0.59 -2.11 -0.03 0.00 -0.02 0.00 0.00 39.34 37.78 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 -2.31 3.52 0.36 -0.72 1.01 -1.26 -4.67 121.20 117.12 3kxp s ILE 135 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 60.65 61.35 3kxp s ILE 135 Cb 0.00 -3.63 -0.11 0.00 0.01 0.00 0.00 42.46 38.73 3kxp s ILE 135 CO 0.00 0.02 1.49 -1.83 0.00 0.00 0.00 174.94 174.63 3kxp s GLU 136 N 2.00 4.13 0.29 2.79 1.03 -1.26 -4.88 118.70 122.79 3kxp s GLU 136 Ca 0.65 2.55 0.03 0.00 0.03 0.00 0.00 54.97 58.23 3kxp s GLU 136 Cb -0.34 -2.98 0.71 0.00 -0.80 0.00 0.00 34.13 30.72 3kxp s GLU 136 CO 0.28 -0.53 1.70 1.15 -1.33 0.00 0.00 175.26 176.54 3kxp h THR 137 N 3.05 0.49 -0.25 1.83 2.02 -1.99 -0.69 112.91 117.36 3kxp h THR 137 Ca -0.50 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 66.60 3kxp h THR 137 Cb 1.24 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 3kxp h THR 137 CO 0.67 0.07 -0.17 -0.33 0.37 0.00 0.00 175.52 176.13 3kxp h GLU 138 N 0.41 -0.15 -0.79 6.66 3.07 -1.99 -0.05 114.58 121.73 3kxp h GLU 138 Ca 0.55 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.47 3kxp h GLU 138 Cb 1.03 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.92 3kxp h GLU 138 CO -0.52 -0.10 0.49 0.00 -1.40 0.00 0.00 179.01 177.48 3kxp h ALA 139 N 0.99 1.07 0.00 3.43 0.00 -1.46 -0.62 119.26 122.67 3kxp h ALA 139 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kxp h ALA 139 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kxp h ALA 139 CO -0.35 0.25 -0.37 -0.07 0.00 0.00 0.00 179.25 178.71 3kxp h LEU 140 N 0.92 0.00 -0.23 0.00 3.38 -1.05 -1.55 115.31 116.79 3kxp h LEU 140 Ca 0.34 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.22 3kxp h LEU 140 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kxp h LEU 140 CO -0.15 0.37 -0.20 0.44 0.09 0.00 0.00 178.44 179.00 3kxp h ASP 141 N 0.00 0.57 -0.25 -0.43 3.32 0.40 -0.47 116.42 119.56 3kxp h ASP 141 Ca -0.00 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 3kxp h ASP 141 Cb 0.75 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3kxp h ASP 141 CO 0.05 0.91 0.11 0.00 -1.72 0.00 0.00 179.24 178.59 3kxp h ALA 142 N 0.68 0.32 -0.40 3.45 0.00 -0.95 -1.81 119.26 120.54 3kxp h ALA 142 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kxp h ALA 142 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3kxp h ALA 142 CO 0.05 -0.11 0.24 1.25 0.00 0.00 0.00 179.25 180.69 3kxp h LEU 143 N 0.27 0.40 -0.38 0.00 5.85 -1.25 -1.90 115.31 118.30 3kxp h LEU 143 Ca 0.08 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3kxp h LEU 143 Cb 0.13 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3kxp h LEU 143 CO -0.01 0.29 0.20 -0.08 -0.34 0.00 0.00 178.44 178.50 3kxp h GLU 144 N 0.50 0.40 -0.54 1.25 4.81 -0.85 -1.24 114.58 118.90 3kxp h GLU 144 Ca 0.16 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3kxp h GLU 144 Cb -0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3kxp h GLU 144 CO -0.07 0.27 0.09 0.00 -0.73 0.00 0.00 179.01 178.57 3kxp h ALA 145 N 1.18 1.13 -0.37 2.92 0.00 -1.15 -1.94 119.26 121.04 3kxp h ALA 145 Ca 0.16 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3kxp h ALA 145 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kxp h ALA 145 CO -0.09 0.57 -0.21 0.00 0.00 0.00 0.00 179.25 179.52 3kxp h ARG 146 N 0.82 0.79 -0.38 0.00 3.08 -1.02 -1.75 114.38 115.92 3kxp h ARG 146 Ca 0.17 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3kxp h ARG 146 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3kxp h ARG 146 CO 0.01 0.99 0.13 -0.39 -1.07 0.00 0.00 179.97 179.63 3kxp h VAL 147 N 0.58 1.21 0.00 2.04 -1.51 -1.05 -2.71 116.25 114.82 3kxp h VAL 147 Ca 0.08 -0.67 -0.08 0.00 -1.23 0.00 0.00 66.70 64.80 3kxp h VAL 147 Cb 0.77 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 3kxp h VAL 147 CO 0.06 0.23 -0.36 0.78 -1.23 0.00 0.00 177.57 177.05 3kxp h ASN 148 N 0.47 0.00 0.72 4.19 2.35 -1.35 -1.94 115.58 120.02 3kxp h ASN 148 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3kxp h ASN 148 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3kxp h ASN 148 CO -0.01 0.36 0.00 0.00 -1.65 0.00 0.00 177.43 176.14 3kxp n ALA 149 N -2.42 2.20 0.44 -0.83 0.00 -0.66 -3.19 120.51 116.06 3kxp n ALA 149 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3kxp n ALA 149 Cb 0.42 -1.41 0.43 0.00 0.00 0.00 0.00 19.45 18.89 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 4.29 0.00 -7.38 0.00 0.00 -1.03 -3.40 103.07 95.55 3kxp h GLY 150 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 3kxp h GLY 150 CO 0.00 0.00 1.21 -0.45 0.00 0.00 0.00 176.54 177.30 3kxp s SER 151 N -4.94 5.61 0.17 0.19 0.15 -1.19 -4.81 113.70 108.87 3kxp s SER 151 Ca 0.07 -1.42 0.02 0.00 0.70 0.00 0.00 55.95 55.32 3kxp s SER 151 Cb 0.10 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 3kxp s SER 151 CO 0.55 -2.39 -0.01 -1.10 1.20 0.00 0.00 173.24 171.48 3kxp s GLN 152 N 6.04 1.10 -0.26 5.44 -0.21 -1.26 -5.09 119.66 125.41 3kxp s GLN 152 Ca 0.63 -1.52 -0.12 0.00 0.02 0.00 0.00 55.36 54.37 3kxp s GLN 152 Cb -0.02 -0.31 -0.05 0.00 1.00 0.00 0.00 33.01 33.63 3kxp s GLN 152 CO 0.04 -0.11 0.23 -1.17 -2.12 0.00 0.00 175.29 172.16 3kxp s LEU 153 N -3.17 4.07 -0.14 2.90 2.96 -1.26 -4.44 118.68 119.60 3kxp s LEU 153 Ca 0.23 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 3kxp s LEU 153 Cb 0.06 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3kxp s LEU 153 CO 0.03 -0.04 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.61 3kxp s PHE 154 N 1.53 2.97 0.25 5.38 0.40 0.43 -4.96 117.98 123.97 3kxp s PHE 154 Ca 0.10 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.06 3kxp s PHE 154 Cb -0.15 -1.89 0.47 0.00 0.51 0.00 0.00 43.02 41.96 3kxp s PHE 154 CO 0.08 -0.01 1.70 1.49 0.70 0.00 0.00 175.22 179.18 3kxp h GLU 155 N 6.47 0.31 0.00 0.44 4.22 -1.86 0.67 114.58 124.82 3kxp h GLU 155 Ca -0.33 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.16 3kxp h GLU 155 Cb 1.19 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3kxp h GLU 155 CO 0.60 0.20 0.37 -0.40 -2.18 0.00 0.00 179.01 177.60 3kxp n ASP 156 N -5.11 -1.53 0.20 1.04 5.75 -1.26 -4.39 116.55 111.24 3kxp n ASP 156 Ca 0.15 -1.92 0.07 0.00 -0.01 0.00 0.00 54.79 53.08 3kxp n ASP 156 Cb 0.46 2.52 0.59 0.00 -1.03 0.00 0.00 41.12 43.65 3kxp n ASP 156 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3kxp h ILE 157 N 1.77 1.03 -0.48 2.12 2.10 -1.99 -1.60 117.51 120.46 3kxp h ILE 157 Ca -0.23 -0.08 -0.13 0.00 1.08 0.00 0.00 64.86 65.50 3kxp h ILE 157 Cb 0.95 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 37.58 3kxp h ILE 157 CO 0.30 0.03 -0.20 0.11 -1.08 0.00 0.00 178.15 177.32 3kxp h LYS 158 N 0.12 0.98 -0.61 2.19 1.79 -1.99 -0.02 116.57 119.03 3kxp h LYS 158 Ca 0.03 -0.40 -0.10 0.00 -2.18 0.00 0.00 60.65 58.00 3kxp h LYS 158 Cb 0.01 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3kxp h LYS 158 CO -0.01 1.08 -0.01 0.00 -1.08 0.00 0.00 179.45 179.43 3kxp h ALA 159 N 0.92 0.83 -0.37 3.86 0.00 -1.75 -1.24 119.26 121.50 3kxp h ALA 159 Ca 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3kxp h ALA 159 Cb 0.77 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3kxp h ALA 159 CO 0.06 0.68 0.21 0.28 0.00 0.00 0.00 179.25 180.48 3kxp h VAL 160 N 0.98 1.14 -0.89 0.00 2.07 -0.98 -0.29 116.25 118.28 3kxp h VAL 160 Ca 0.17 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kxp h VAL 160 Cb 0.57 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3kxp h VAL 160 CO 0.03 0.14 0.59 -0.33 0.02 0.00 0.00 177.57 178.02 3kxp h GLU 161 N 0.48 1.15 -0.34 1.57 5.08 -0.70 -0.33 114.58 121.49 3kxp h GLU 161 Ca 0.13 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 3kxp h GLU 161 Cb 0.04 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3kxp h GLU 161 CO -0.02 0.76 -0.41 0.00 -1.00 0.00 0.00 179.01 178.35 3kxp h ALA 162 N 1.45 0.63 -0.09 3.43 0.00 -0.86 -1.84 119.26 121.98 3kxp h ALA 162 Ca 0.33 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kxp h ALA 162 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kxp h ALA 162 CO -0.08 0.67 0.04 -0.92 0.00 0.00 0.00 179.25 178.97 3kxp h TYR 163 N 0.69 0.13 -0.68 0.00 3.20 -0.38 -2.33 116.97 117.60 3kxp h TYR 163 Ca 0.05 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3kxp h TYR 163 Cb 0.98 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 3kxp h TYR 163 CO 0.06 0.22 0.25 -0.07 -1.64 0.00 0.00 178.16 176.98 3kxp h LEU 164 N 0.00 0.95 -0.63 2.82 3.38 -1.06 -1.22 115.31 119.55 3kxp h LEU 164 Ca 0.03 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kxp h LEU 164 Cb 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3kxp h LEU 164 CO -0.00 0.88 0.39 0.00 0.09 0.00 0.00 178.44 179.79 3kxp h ALA 165 N 1.11 0.82 -0.12 1.53 0.00 -1.28 0.16 119.26 121.48 3kxp h ALA 165 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3kxp h ALA 165 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kxp h ALA 165 CO -0.01 0.14 -0.32 0.78 0.00 0.00 0.00 179.25 179.84 3kxp h GLY 166 N 0.76 0.25 1.80 0.00 0.00 -1.07 -2.17 103.07 102.65 3kxp h GLY 166 Ca 0.26 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.17 3kxp h GLY 166 CO -0.11 0.19 -0.92 -0.09 0.00 0.00 0.00 176.54 175.61 3kxp h ARG 167 N 0.20 0.17 -2.22 4.80 2.43 -0.30 -3.37 114.38 116.10 3kxp h ARG 167 Ca 0.03 -0.20 -0.59 0.00 -0.81 0.00 0.00 59.98 58.41 3kxp h ARG 167 Cb 0.67 0.06 -0.41 0.00 -0.42 0.00 0.00 29.97 29.87 3kxp h ARG 167 CO 0.05 0.98 -0.82 0.66 -1.51 0.00 0.00 179.97 179.33 3kxp n TYR 168 N -3.61 1.73 -0.12 2.20 4.02 0.46 -4.98 117.16 116.86 3kxp n TYR 168 Ca -0.04 -3.88 0.24 0.00 -0.01 0.00 0.00 57.90 54.22 3kxp n TYR 168 Cb 0.84 -0.42 0.69 0.00 -0.02 0.00 0.00 39.34 40.43 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 4.34 0.04 0.00 -0.72 0.13 -1.57 -2.41 132.00 131.81 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 0.77 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3kxp h PRO 169 CO 0.65 0.03 -0.33 0.09 -0.23 0.00 0.00 178.00 178.20 3kxp n ASN 170 N -4.33 0.45 -4.72 1.44 3.02 -1.26 -4.88 115.26 104.97 3kxp n ASN 170 Ca 0.15 0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 3kxp n ASN 170 Cb 0.79 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.83 3kxp n ASN 170 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kxp s ILE 171 N -3.05 3.94 0.59 2.41 1.01 -0.91 -4.82 121.20 120.36 3kxp s ILE 171 Ca 0.11 1.46 -0.20 0.00 0.00 0.00 0.00 60.65 62.02 3kxp s ILE 171 Cb 0.16 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3kxp s ILE 171 CO 0.65 0.15 1.17 -2.65 0.00 0.00 0.00 174.94 174.26 3kxp n PRO 172 N 3.46 1.22 -0.17 2.79 -0.02 -1.26 -4.73 135.00 136.30 3kxp n PRO 172 Ca 0.07 0.46 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 3kxp n PRO 172 Cb 0.46 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.85 0.40 -0.78 3.55 0.00 -1.97 -0.21 119.26 121.10 3kxp h ALA 173 Ca -0.50 0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3kxp h ALA 173 Cb 1.34 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 3kxp h ALA 173 CO 0.54 -0.42 0.46 0.38 0.00 0.00 0.00 179.25 180.20 3kxp h ASP 174 N 0.04 0.70 -0.33 0.00 3.04 -2.00 0.33 116.42 118.20 3kxp h ASP 174 Ca 0.26 0.03 -0.11 0.00 -3.24 0.00 0.00 57.03 53.97 3kxp h ASP 174 Cb 0.40 -0.12 -0.02 0.00 -1.04 0.00 0.00 39.33 38.55 3kxp h ASP 174 CO -0.51 0.44 -0.17 0.00 -2.04 0.00 0.00 179.24 176.97 3kxp h ALA 175 N 1.39 0.92 -0.27 4.15 0.00 -1.65 -1.68 119.26 122.12 3kxp h ALA 175 Ca 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kxp h ALA 175 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kxp h ALA 175 CO -0.19 0.62 0.17 0.82 0.00 0.00 0.00 179.25 180.67 3kxp h ILE 176 N 0.70 1.09 -0.79 0.00 1.08 -0.11 -1.96 117.51 117.52 3kxp h ILE 176 Ca 0.11 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3kxp h ILE 176 Cb 0.67 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 35.09 3kxp h ILE 176 CO 0.05 0.08 0.50 -0.09 -0.69 0.00 0.00 178.15 178.00 3kxp h ARG 177 N 0.35 0.92 -0.38 2.37 2.43 -0.66 -0.64 114.38 118.77 3kxp h ARG 177 Ca 0.10 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3kxp h ARG 177 Cb -0.01 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.28 3kxp h ARG 177 CO -0.02 0.61 0.05 0.82 -1.51 0.00 0.00 179.97 179.92 3kxp h ILE 178 N 0.95 0.77 -0.14 1.20 2.04 -0.80 0.13 117.51 121.67 3kxp h ILE 178 Ca 0.33 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 66.09 3kxp h ILE 178 Cb 0.07 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3kxp h ILE 178 CO -0.13 0.03 -0.12 0.03 0.00 0.00 0.00 178.15 177.96 3kxp h ARG 179 N 0.16 0.22 -0.06 2.37 3.08 -0.64 -0.85 114.38 118.65 3kxp h ARG 179 Ca 0.18 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3kxp h ARG 179 Cb 0.23 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3kxp h ARG 179 CO -0.26 0.35 -0.17 0.00 -1.07 0.00 0.00 179.97 178.82 3kxp h ALA 180 N 1.67 0.11 -0.11 0.04 0.00 0.29 -1.58 119.26 119.68 3kxp h ALA 180 Ca 0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3kxp h ALA 180 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kxp h ALA 180 CO 0.02 0.03 -0.52 0.93 0.00 0.00 0.00 179.25 179.71 3kxp h GLU 181 N -0.28 0.29 0.00 0.00 5.08 -0.68 -3.32 114.58 115.68 3kxp h GLU 181 Ca -0.00 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 3kxp h GLU 181 Cb 0.77 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3kxp h GLU 181 CO 0.04 0.75 -1.36 -1.13 -1.00 0.00 0.00 179.01 176.31 3kxp n SER 182 N -3.94 0.78 -0.32 1.42 3.41 -0.34 -4.46 113.62 110.18 3kxp n SER 182 Ca -0.02 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 59.04 3kxp n SER 182 Cb 0.57 0.37 0.21 0.00 -0.26 0.00 0.00 64.21 65.10 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 1.34 -0.41 3.56 5.00 0.00 -0.59 -4.95 105.19 109.13 3kxp n GLY 183 Ca -0.07 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.53 2.47 0.04 1.61 1.51 -1.25 -1.19 117.35 118.02 3kxp s TYR 184 Ca 0.21 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 3kxp s TYR 184 Cb 0.19 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 3kxp s TYR 184 CO 0.56 0.63 -0.17 1.14 -1.11 0.00 0.00 175.55 176.59 3kxp s GLN 185 N -3.61 1.15 0.04 -0.62 -2.07 0.17 -4.79 119.66 109.94 3kxp s GLN 185 Ca 0.32 -0.86 -0.30 0.00 -1.82 0.00 0.00 55.36 52.69 3kxp s GLN 185 Cb -0.04 -1.22 -0.05 0.00 -1.09 0.00 0.00 33.01 30.61 3kxp s GLN 185 CO 0.18 0.31 1.23 -2.14 -1.32 0.00 0.00 175.29 173.54 3kxp s PRO 186 N -1.18 4.40 0.22 9.60 0.02 -1.26 -2.12 135.00 144.67 3kxp s PRO 186 Ca 0.05 1.79 -0.01 0.00 0.02 0.00 0.00 61.00 62.85 3kxp s PRO 186 Cb -0.08 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 31.00 3kxp s PRO 186 CO 0.02 -0.33 0.17 0.08 -0.33 0.00 0.00 177.00 176.60 3kxp s VAL 187 N 1.39 0.00 0.04 3.83 1.01 0.25 -4.95 120.40 121.96 3kxp s VAL 187 Ca 0.59 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 3kxp s VAL 187 Cb -0.29 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.51 3kxp s VAL 187 CO 0.28 0.00 1.88 -1.81 0.00 0.00 0.00 175.10 175.45 3kxp s ASP 188 N -3.18 6.48 0.00 3.32 -0.00 -1.26 -0.75 116.67 121.29 3kxp s ASP 188 Ca 0.38 2.61 0.00 0.00 -0.00 0.00 0.00 52.55 55.55 3kxp s ASP 188 Cb 0.06 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.44 3kxp s ASP 188 CO 0.14 -1.02 0.00 0.61 -0.00 0.00 0.00 175.17 174.90 3kxp n GLY 189 N 4.40 0.21 0.00 0.21 0.00 -1.26 -4.88 105.19 103.87 3kxp n GLY 189 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 0.58 3.32 -0.02 0.00 0.07 -4.35 105.19 102.80 3kxp n GLY 190 Ca 0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 2.34 0.06 0.99 1.02 0.23 0.85 118.68 124.17 3kxp s LEU 191 Ca 0.00 -0.74 -0.04 0.00 0.02 0.00 0.00 54.13 53.37 3kxp s LEU 191 Cb 0.00 -0.95 -0.02 0.00 0.02 0.00 0.00 46.19 45.24 3kxp s LEU 191 CO 0.00 0.07 0.05 -0.13 0.02 0.00 0.00 176.35 176.36 3kxp s ARG 192 N -2.16 0.67 0.54 1.70 0.52 -0.90 -0.43 118.95 118.90 3kxp s ARG 192 Ca 0.10 -1.07 -0.19 0.00 -0.52 0.00 0.00 55.73 54.05 3kxp s ARG 192 Cb -0.09 0.25 -0.06 0.00 0.52 0.00 0.00 34.95 35.57 3kxp s ARG 192 CO 0.05 -0.16 1.13 -1.25 0.02 0.00 0.00 175.30 175.09 3kxp s PRO 193 N -3.69 3.34 0.14 3.54 0.04 -1.26 -0.65 135.00 136.46 3kxp s PRO 193 Ca 0.04 1.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 3kxp s PRO 193 Cb 0.06 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3kxp s PRO 193 CO -0.09 -0.86 1.37 -0.07 0.04 0.00 0.00 177.00 177.38 3kxp h LEU 194 N 1.19 0.71 -9.56 -3.56 3.38 -1.46 -3.44 115.31 102.58 3kxp h LEU 194 Ca -0.50 -0.47 -0.60 0.00 0.09 0.00 0.00 57.88 56.40 3kxp h LEU 194 Cb 1.26 -0.21 0.10 0.00 0.09 0.00 0.00 40.66 41.91 3kxp h LEU 194 CO 0.57 1.24 0.30 0.00 0.09 0.00 0.00 178.44 180.64 3kxp n ALA 195 N -2.56 0.32 -2.31 1.53 0.00 -1.26 -4.83 120.51 111.39 3kxp n ALA 195 Ca -0.06 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 3kxp n ALA 195 Cb 0.73 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 3kxp n ALA 195 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kxp s SER 196 N -0.36 6.90 0.34 0.00 0.15 -0.93 -4.90 113.70 114.90 3kxp s SER 196 Ca 0.60 1.92 0.02 0.00 0.70 0.00 0.00 55.95 59.18 3kxp s SER 196 Cb -0.67 -2.55 0.60 0.00 -1.71 0.00 0.00 66.02 61.69 3kxp s SER 196 CO 0.59 -0.74 1.96 0.77 1.20 0.00 0.00 173.24 177.03 3kxp h SER 197 N 8.13 0.69 -0.57 5.45 4.64 -1.91 -2.10 113.55 127.88 3kxp h SER 197 Ca -0.33 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 60.87 3kxp h SER 197 Cb 1.15 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 3kxp h SER 197 CO 0.93 0.57 0.12 0.00 -0.87 0.00 0.00 176.83 177.57 3kxp h ALA 198 N 1.55 0.76 0.00 5.18 0.00 -1.97 -1.47 119.26 123.31 3kxp h ALA 198 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kxp h ALA 198 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kxp h ALA 198 CO -0.03 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3kxp n ALA 199 N -2.42 1.41 0.00 0.00 0.00 -0.79 -1.88 120.51 116.82 3kxp n ALA 199 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kxp n ALA 199 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.69 0.00 -0.22 0.00 0.00 -0.55 -1.06 120.51 119.37 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 0.05 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.59 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 1.05 -0.37 0.00 4.20 -1.64 -2.00 115.11 116.34 3kxp h GLN 202 Ca 0.00 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.36 3kxp h GLN 202 Cb 0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3kxp h GLN 202 CO 0.00 0.93 -0.17 1.15 -0.67 0.00 0.00 178.83 180.06 3kxp h THR 203 N 0.99 1.28 -0.49 -0.54 2.02 -1.26 -1.35 112.91 113.57 3kxp h THR 203 Ca 0.21 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 66.11 3kxp h THR 203 Cb 0.35 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3kxp h THR 203 CO 0.00 0.43 0.30 0.00 0.37 0.00 0.00 175.52 176.62 3kxp h ALA 204 N 0.80 0.62 -0.58 6.16 0.00 -1.76 -0.93 119.26 123.57 3kxp h ALA 204 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kxp h ALA 204 Cb 0.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3kxp h ALA 204 CO 0.05 0.02 0.18 -0.09 0.00 0.00 0.00 179.25 179.42 3kxp h ARG 205 N 0.61 0.90 0.00 0.00 2.43 -1.29 -2.60 114.38 114.43 3kxp h ARG 205 Ca 0.19 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3kxp h ARG 205 Cb -0.02 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3kxp h ARG 205 CO -0.07 0.80 -0.08 0.78 -1.51 0.00 0.00 179.97 179.89 3kxp h GLY 206 N 0.81 0.00 2.00 2.80 0.00 -0.74 -2.36 103.07 105.58 3kxp h GLY 206 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3kxp h GLY 206 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 3kxp n LEU 207 N -3.39 0.24 0.04 3.11 4.77 -0.40 -2.11 117.00 119.26 3kxp n LEU 207 Ca -0.01 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 3kxp n LEU 207 Cb 0.24 -0.56 0.47 0.00 -2.33 0.00 0.00 43.42 41.24 3kxp n LEU 207 CO 0.28 -0.46 0.83 0.54 -1.33 0.00 0.00 177.39 177.24 3kxp n ARG 208 N -1.78 0.11 -1.63 3.23 1.74 -0.89 -4.92 116.66 112.52 3kxp n ARG 208 Ca 0.02 0.08 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 3kxp n ARG 208 Cb 0.14 -1.62 0.08 0.00 -1.02 0.00 0.00 32.46 30.04 3kxp n ARG 208 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kxp n SER 209 N -1.80 1.90 -4.68 0.55 3.41 -0.90 -4.89 113.62 107.21 3kxp n SER 209 Ca 0.06 0.79 -0.42 0.00 -0.26 0.00 0.00 58.87 59.04 3kxp n SER 209 Cb 0.38 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 62.75 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 -1.49 6.56 0.00 4.04 2.15 -1.26 -4.89 116.67 121.78 3kxp s ASP 210 Ca 0.81 2.52 0.20 0.00 0.43 0.00 0.00 52.55 56.51 3kxp s ASP 210 Cb -0.37 -2.55 0.14 0.00 -0.30 0.00 0.00 42.92 39.84 3kxp s ASP 210 CO 0.42 -0.94 1.12 -0.11 -0.17 0.00 0.00 175.17 175.49 3kxp n LEU 211 N 6.17 2.57 -0.00 -1.34 7.94 -1.26 -4.58 117.00 126.50 3kxp n LEU 211 Ca 0.17 -0.97 -0.09 0.00 -1.11 0.00 0.00 56.01 54.01 3kxp n LEU 211 Cb 0.41 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.33 3kxp n LEU 211 CO 0.64 0.44 0.72 0.58 -1.11 0.00 0.00 177.39 178.67 3kxp h VAL 212 N 3.71 0.49 -0.64 1.96 2.07 -1.96 -2.65 116.25 119.23 3kxp h VAL 212 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3kxp h VAL 212 Cb 0.82 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 30.96 3kxp h VAL 212 CO 0.00 0.00 -0.05 -0.65 0.02 0.00 0.00 177.57 176.89 3kxp h PRO 213 N -0.26 0.07 -0.12 1.57 0.11 -1.98 0.25 132.00 131.64 3kxp h PRO 213 Ca 0.10 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3kxp h PRO 213 Cb 0.40 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3kxp h PRO 213 CO -0.28 0.05 0.07 0.00 -0.21 0.00 0.00 178.00 177.62 3kxp h ALA 214 N 1.61 0.15 -0.59 -0.75 0.00 -1.82 0.15 119.26 118.01 3kxp h ALA 214 Ca 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3kxp h ALA 214 Cb 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kxp h ALA 214 CO -0.59 -0.33 0.10 1.88 0.00 0.00 0.00 179.25 180.31 3kxp h TYR 215 N 0.11 1.03 -0.71 0.00 -1.99 -1.03 -0.81 116.97 113.57 3kxp h TYR 215 Ca 0.04 -0.14 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 3kxp h TYR 215 Cb 0.04 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.46 3kxp h TYR 215 CO -0.05 0.89 0.29 -0.09 -0.00 0.00 0.00 178.16 179.19 3kxp h ARG 216 N 0.87 1.04 0.00 4.88 2.43 -0.32 -3.29 114.38 119.99 3kxp h ARG 216 Ca 0.18 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3kxp h ARG 216 Cb 0.41 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3kxp h ARG 216 CO 0.01 0.84 -1.45 -0.25 -1.51 0.00 0.00 179.97 177.61 3kxp n ASP 217 N -4.30 0.50 -4.64 -3.80 8.00 0.51 -4.95 116.55 107.88 3kxp n ASP 217 Ca 0.06 0.20 -0.50 0.00 0.71 0.00 0.00 54.79 55.25 3kxp n ASP 217 Cb 0.17 1.05 -0.05 0.00 -0.02 0.00 0.00 41.12 42.27 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 -2.53 0.08 0.58 2.53 0.24 -0.33 -4.86 118.33 114.04 3kxp n VAL 218 Ca -0.03 -0.01 0.10 0.00 -2.04 0.00 0.00 64.34 62.36 3kxp n VAL 218 Cb 0.59 -1.17 -0.13 0.00 -1.47 0.00 0.00 33.84 31.65 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 3.24 0.01 -3.27 3.34 -2.24 -1.26 -4.96 114.28 109.13 3kxp n THR 219 Ca 0.19 -0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 3kxp n THR 219 Cb 0.22 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 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 -3.21 3.54 0.34 -0.78 -0.14 -1.26 -5.04 119.74 113.18 3kxp s LYS 220 Ca 0.01 -0.16 -0.28 0.00 -1.36 0.00 0.00 55.97 54.19 3kxp s LYS 220 Cb 0.15 -2.62 -0.12 0.00 -1.68 0.00 0.00 37.83 33.56 3kxp s LYS 220 CO 0.88 0.12 1.37 -2.30 -0.76 0.00 0.00 175.35 174.67 3kxp n PRO 221 N -1.57 2.30 -3.82 -1.68 -0.02 -1.26 -4.86 135.00 124.10 3kxp n PRO 221 Ca -0.03 0.81 -0.19 0.00 -2.02 0.00 0.00 63.50 62.07 3kxp n PRO 221 Cb 0.55 -2.45 -0.17 0.00 -0.02 0.00 0.00 33.50 31.41 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 -0.95 0.15 -0.35 -1.45 1.01 -1.26 -0.83 120.40 116.71 3kxp s VAL 222 Ca 0.56 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 3kxp s VAL 222 Cb -0.55 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3kxp s VAL 222 CO 0.61 0.18 0.26 -0.22 0.00 0.00 0.00 175.10 175.93 3kxp s LEU 223 N 1.58 4.64 -0.21 3.92 2.96 0.40 -3.67 118.68 128.29 3kxp s LEU 223 Ca -0.02 -0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 53.17 3kxp s LEU 223 Cb -0.13 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 3kxp s LEU 223 CO -0.03 -0.28 0.66 -0.63 -1.32 0.00 0.00 176.35 174.75 3kxp s ILE 224 N 1.72 4.98 -0.18 6.68 1.01 -0.45 -1.43 121.20 133.55 3kxp s ILE 224 Ca 0.06 1.24 -0.00 0.00 0.00 0.00 0.00 60.65 61.95 3kxp s ILE 224 Cb -0.18 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3kxp s ILE 224 CO 0.10 0.07 -0.16 -0.69 0.00 0.00 0.00 174.94 174.27 3kxp s VAL 225 N 2.16 2.49 0.02 2.92 1.01 -0.76 -0.62 120.40 127.63 3kxp s VAL 225 Ca 0.29 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.54 3kxp s VAL 225 Cb -0.16 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3kxp s VAL 225 CO 0.10 0.51 -0.22 -0.60 0.00 0.00 0.00 175.10 174.88 3kxp s ARG 226 N 1.16 1.63 -0.08 2.72 3.52 0.13 0.52 118.95 128.55 3kxp s ARG 226 Ca 0.01 -0.92 -0.27 0.00 -0.13 0.00 0.00 55.73 54.42 3kxp s ARG 226 Cb -0.14 -1.69 -0.03 0.00 -1.56 0.00 0.00 34.95 31.53 3kxp s ARG 226 CO -0.06 0.45 0.86 0.20 -0.81 0.00 0.00 175.30 175.93 3kxp s GLY 227 N -0.95 2.55 0.32 8.12 0.00 -1.26 -0.31 107.32 115.79 3kxp s GLY 227 Ca 0.09 0.26 0.10 0.00 0.00 0.00 0.00 44.72 45.17 3kxp s GLY 227 CO 0.01 1.55 1.62 -2.09 0.00 0.00 0.00 173.10 174.19 3kxp h GLU 228 N 6.95 0.15 -0.62 2.90 4.81 -0.27 -0.64 114.58 127.87 3kxp h GLU 228 Ca -0.37 -0.01 -0.42 0.00 -0.13 0.00 0.00 59.36 58.44 3kxp h GLU 228 Cb 1.18 -0.03 -0.27 0.00 0.63 0.00 0.00 28.75 30.26 3kxp h GLU 228 CO 0.79 0.10 -0.21 -1.13 -0.73 0.00 0.00 179.01 177.83 3kxp n SER 229 N -5.23 4.40 -4.74 1.04 3.41 -0.64 -4.94 113.62 106.92 3kxp n SER 229 Ca 0.28 -3.78 -0.41 0.00 -0.26 0.00 0.00 58.87 54.70 3kxp n SER 229 Cb 0.91 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.86 6.92 0.04 4.04 0.15 -0.25 -4.53 113.70 117.21 3kxp s SER 230 Ca 0.51 2.40 0.24 0.00 0.70 0.00 0.00 55.95 59.79 3kxp s SER 230 Cb 0.43 -2.61 0.24 0.00 -1.71 0.00 0.00 66.02 62.37 3kxp s SER 230 CO 0.01 -0.50 1.21 0.29 1.20 0.00 0.00 173.24 175.44 3kxp n LYS 231 N 2.47 0.15 -0.09 5.44 5.02 -1.26 -4.27 118.16 125.62 3kxp n LYS 231 Ca 0.05 0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 3kxp n LYS 231 Cb 0.43 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.00 0.00 -8.18 -0.35 7.12 -1.94 -3.43 115.31 108.53 3kxp h LEU 232 Ca 0.00 -0.51 -0.73 0.00 0.13 0.00 0.00 57.88 56.77 3kxp h LEU 232 Cb 0.62 0.00 -0.25 0.00 -0.53 0.00 0.00 40.66 40.50 3kxp h LEU 232 CO 0.00 1.24 -0.36 -0.69 -0.13 0.00 0.00 178.44 178.49 3kxp s VAL 233 N -2.27 4.81 0.73 1.05 1.01 -1.26 -4.69 120.40 119.77 3kxp s VAL 233 Ca -0.23 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 3kxp s VAL 233 Cb 0.03 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.49 3kxp s VAL 233 CO 0.53 -0.62 1.08 -0.94 0.00 0.00 0.00 175.10 175.15 3kxp s SER 234 N 2.60 5.17 0.38 3.32 1.04 -1.26 -4.53 113.70 120.42 3kxp s SER 234 Ca 0.04 1.40 0.07 0.00 0.48 0.00 0.00 55.95 57.94 3kxp s SER 234 Cb -0.25 -2.23 0.76 0.00 0.10 0.00 0.00 66.02 64.40 3kxp s SER 234 CO 0.04 -1.55 1.95 0.00 0.98 0.00 0.00 173.24 174.66 3kxp h ALA 235 N -0.79 1.53 -0.57 5.32 0.00 -1.92 -1.69 119.26 121.14 3kxp h ALA 235 Ca -0.45 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 3kxp h ALA 235 Cb 1.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3kxp h ALA 235 CO 0.59 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 180.14 3kxp h ALA 236 N 1.64 0.78 -0.62 0.00 0.00 -1.99 -1.20 119.26 117.86 3kxp h ALA 236 Ca 0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3kxp h ALA 236 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3kxp h ALA 236 CO 0.00 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.99 3kxp h ALA 237 N 0.96 0.97 -0.26 0.00 0.00 -1.63 -1.44 119.26 117.84 3kxp h ALA 237 Ca 0.16 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3kxp h ALA 237 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kxp h ALA 237 CO 0.04 0.64 -0.05 1.25 0.00 0.00 0.00 179.25 181.13 3kxp h LEU 238 N 0.96 0.50 -0.82 0.00 5.85 -1.16 -1.44 115.31 119.21 3kxp h LEU 238 Ca 0.19 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.63 3kxp h LEU 238 Cb 0.44 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3kxp h LEU 238 CO 0.01 0.74 0.49 0.00 -0.34 0.00 0.00 178.44 179.34 3kxp h ALA 239 N 0.78 1.15 -0.21 1.25 0.00 -1.04 0.56 119.26 121.75 3kxp h ALA 239 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3kxp h ALA 239 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kxp h ALA 239 CO 0.02 0.17 -0.35 0.87 0.00 0.00 0.00 179.25 179.96 3kxp h LYS 240 N 0.85 0.45 -0.32 0.00 1.57 -1.09 -2.38 116.57 115.64 3kxp h LYS 240 Ca 0.38 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3kxp h LYS 240 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3kxp h LYS 240 CO -0.21 0.74 -0.13 1.15 -0.57 0.00 0.00 179.45 180.43 3kxp h THR 241 N 0.38 1.29 -0.04 -0.16 2.02 -0.14 -2.27 112.91 113.99 3kxp h THR 241 Ca 0.04 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 3kxp h THR 241 Cb 0.79 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 3kxp h THR 241 CO 0.06 0.39 -0.15 0.28 0.37 0.00 0.00 175.52 176.48 3kxp h SER 242 N 0.43 0.06 0.56 4.18 0.02 -0.79 0.89 113.55 118.88 3kxp h SER 242 Ca 0.08 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 3kxp h SER 242 Cb 0.65 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3kxp h SER 242 CO 0.04 0.21 -0.62 0.03 -1.14 0.00 0.00 176.83 175.35 3kxp h ARG 243 N 0.06 0.06 -0.11 3.45 2.47 -1.22 0.11 114.38 119.20 3kxp h ARG 243 Ca 0.01 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 3kxp h ARG 243 Cb 0.30 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3kxp h ARG 243 CO 0.02 0.66 -0.29 1.25 0.56 0.00 0.00 179.97 182.18 3kxp h LEU 244 N 0.04 0.44 -6.33 3.04 5.85 -0.56 -3.39 115.31 114.40 3kxp h LEU 244 Ca -0.01 -0.59 -0.59 0.00 0.84 0.00 0.00 57.88 57.54 3kxp h LEU 244 Cb 1.11 -0.13 -0.40 0.00 0.37 0.00 0.00 40.66 41.62 3kxp h LEU 244 CO 0.08 0.95 -0.90 0.54 -0.34 0.00 0.00 178.44 178.78 3kxp n ARG 245 N -4.43 1.00 0.25 1.25 5.12 0.16 -4.96 116.66 115.05 3kxp n ARG 245 Ca -0.07 -3.64 0.17 0.00 -1.93 0.00 0.00 57.85 52.37 3kxp n ARG 245 Cb 0.47 -1.71 0.88 0.00 -1.16 0.00 0.00 32.46 30.95 3kxp n ARG 245 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3kxp h PRO 246 N 4.80 0.00 0.00 5.56 0.13 -0.97 -2.41 132.00 139.11 3kxp h PRO 246 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 3kxp h PRO 246 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3kxp h PRO 246 CO 0.53 0.00 -0.38 0.38 -0.23 0.00 0.00 178.00 178.30 3kxp h ASP 247 N 0.00 0.00 -2.93 1.44 3.04 -1.93 -3.45 116.42 112.59 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 0.01 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.29 3kxp h ASP 247 CO 0.00 0.33 0.83 -0.76 -2.04 0.00 0.00 179.24 177.60 3kxp s LEU 248 N -6.33 4.28 0.42 0.15 1.43 -0.91 -4.98 118.68 112.74 3kxp s LEU 248 Ca 0.05 1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 54.86 3kxp s LEU 248 Cb 0.07 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 3kxp s LEU 248 CO 0.72 -0.71 1.34 -2.16 0.23 0.00 0.00 176.35 175.78 3kxp s PRO 249 N 2.70 3.90 0.08 1.29 0.04 -1.24 -4.85 135.00 136.92 3kxp s PRO 249 Ca 0.61 2.24 0.09 0.00 0.04 0.00 0.00 61.00 63.98 3kxp s PRO 249 Cb -0.28 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 3kxp s PRO 249 CO 0.23 -0.58 -0.23 0.08 0.04 0.00 0.00 177.00 176.54 3kxp s VAL 250 N -1.24 2.45 -0.05 -0.36 1.01 -1.26 -1.34 120.40 119.62 3kxp s VAL 250 Ca 0.58 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3kxp s VAL 250 Cb -0.40 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3kxp s VAL 250 CO 0.51 0.23 0.05 -0.69 0.00 0.00 0.00 175.10 175.20 3kxp s VAL 251 N -0.97 -0.00 -0.23 2.92 1.01 0.21 -4.96 120.40 118.38 3kxp s VAL 251 Ca 0.14 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 3kxp s VAL 251 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 3kxp s VAL 251 CO 0.05 0.20 -0.00 -0.69 0.00 0.00 0.00 175.10 174.66 3kxp s VAL 252 N 2.13 3.69 -0.35 2.92 1.01 -1.26 -0.69 120.40 127.84 3kxp s VAL 252 Ca 0.05 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 3kxp s VAL 252 Cb -0.12 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 3kxp s VAL 252 CO -0.03 0.38 0.49 -0.69 0.00 0.00 0.00 175.10 175.25 3kxp s VAL 253 N 1.52 5.04 0.46 2.92 1.01 0.58 -4.84 120.40 127.08 3kxp s VAL 253 Ca 0.06 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 3kxp s VAL 253 Cb -0.15 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 3kxp s VAL 253 CO -0.01 -0.22 1.36 -2.84 0.00 0.00 0.00 175.10 173.39 3kxp s PRO 254 N 2.34 3.66 0.00 2.72 0.02 -1.26 -1.10 135.00 141.38 3kxp s PRO 254 Ca 0.18 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.46 3kxp s PRO 254 Cb -0.16 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.78 3kxp s PRO 254 CO 0.13 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 3kxp n GLY 255 N 0.62 0.42 3.64 0.52 0.00 -1.26 -4.89 105.19 104.24 3kxp n GLY 255 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.17 3.19 0.16 4.61 0.00 -1.07 -4.97 121.76 121.50 3kxp s ALA 256 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3kxp s ALA 256 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.68 3kxp s ALA 256 CO 0.00 0.53 0.00 -0.40 0.00 0.00 0.00 175.76 175.89 3kxp n ASP 257 N 2.36 0.00 -0.24 0.00 3.85 -1.26 -1.62 116.55 119.63 3kxp n ASP 257 Ca -0.18 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.02 3kxp n ASP 257 Cb 0.53 0.00 0.40 0.00 -1.35 0.00 0.00 41.12 40.70 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 0.74 -0.44 2.11 -0.00 -1.87 -3.19 115.15 112.51 3kxp h HIS 258 Ca 0.00 0.02 -0.71 0.00 -0.00 0.00 0.00 60.37 59.68 3kxp h HIS 258 Cb 0.00 -0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 27.12 3kxp h HIS 258 CO 0.00 0.29 3.07 0.66 -0.00 0.00 0.00 177.93 181.96 3kxp n TYR 259 N -4.53 2.88 0.28 5.26 4.01 -1.26 -4.79 117.16 119.00 3kxp n TYR 259 Ca 0.16 -2.96 -0.16 0.00 -0.16 0.00 0.00 57.90 54.78 3kxp n TYR 259 Cb 0.45 -2.30 -0.08 0.00 -0.31 0.00 0.00 39.34 37.09 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 3.36 0.32 0.00 -0.72 2.07 -1.92 -1.40 116.25 117.96 3kxp h VAL 260 Ca 0.67 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.19 3kxp h VAL 260 Cb 0.45 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3kxp h VAL 260 CO 1.74 0.00 0.00 -0.55 0.02 0.00 0.00 177.57 178.78 3kxp h ASN 261 N -0.78 0.00 0.19 0.57 7.08 -1.86 0.10 115.58 120.87 3kxp h ASN 261 Ca -0.05 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 52.98 3kxp h ASN 261 Cb 0.66 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.86 3kxp h ASN 261 CO 0.02 0.00 -2.00 -0.62 -2.08 0.00 0.00 177.43 172.75 3kxp n GLU 262 N -3.05 0.66 0.00 4.14 1.02 -1.17 -3.67 120.64 118.57 3kxp n GLU 262 Ca -0.01 -0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 3kxp n GLU 262 Cb 0.17 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 3kxp n GLU 262 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kxp h VAL 263 N 0.00 0.88 -2.10 2.62 2.07 -0.97 -3.40 116.25 115.35 3kxp h VAL 263 Ca -0.26 -2.67 -0.54 0.00 0.82 0.00 0.00 66.70 64.05 3kxp h VAL 263 Cb 1.65 2.51 -0.41 0.00 -1.52 0.00 0.00 31.29 33.53 3kxp h VAL 263 CO 0.02 0.66 -0.95 -1.20 0.02 0.00 0.00 177.57 176.12 3kxp n SER 264 N -3.23 2.03 -0.33 0.57 7.64 0.32 -4.96 113.62 115.66 3kxp n SER 264 Ca -0.19 -3.17 0.08 0.00 1.01 0.00 0.00 58.87 56.59 3kxp n SER 264 Cb 1.04 -0.62 0.25 0.00 -1.01 0.00 0.00 64.21 63.88 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 3.38 0.77 -0.04 1.43 0.13 -1.73 -1.29 132.00 134.64 3kxp h PRO 265 Ca 0.12 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3kxp h PRO 265 Cb 0.79 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 3kxp h PRO 265 CO 0.62 0.51 0.02 0.93 -0.23 0.00 0.00 178.00 179.85 3kxp h GLU 266 N 0.80 0.07 -0.32 0.86 4.39 -1.93 0.72 114.58 119.17 3kxp h GLU 266 Ca 0.50 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.07 3kxp h GLU 266 Cb 0.64 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3kxp h GLU 266 CO -0.33 0.22 -0.29 0.82 -1.16 0.00 0.00 179.01 178.27 3kxp h ILE 267 N -0.10 1.28 -0.19 3.13 2.04 -1.93 -1.50 117.51 120.24 3kxp h ILE 267 Ca 0.01 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 3kxp h ILE 267 Cb 0.18 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3kxp h ILE 267 CO -0.00 0.46 0.10 0.74 0.00 0.00 0.00 178.15 179.45 3kxp h THR 268 N 0.57 1.11 -0.60 -0.27 2.02 -1.13 0.05 112.91 114.67 3kxp h THR 268 Ca 0.07 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3kxp h THR 268 Cb 0.79 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3kxp h THR 268 CO 0.06 0.11 0.38 0.25 0.37 0.00 0.00 175.52 176.69 3kxp h LEU 269 N 0.20 0.64 -0.57 2.58 5.85 -0.66 -1.26 115.31 122.09 3kxp h LEU 269 Ca 0.07 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3kxp h LEU 269 Cb 0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3kxp h LEU 269 CO -0.01 0.45 -0.03 0.50 -0.34 0.00 0.00 178.44 179.02 3kxp h LYS 270 N 0.76 1.02 -0.80 1.25 3.11 -0.98 -1.67 116.57 119.26 3kxp h LYS 270 Ca 0.23 -0.34 -0.04 0.00 -2.81 0.00 0.00 60.65 57.69 3kxp h LYS 270 Cb -0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.08 3kxp h LYS 270 CO -0.08 1.03 0.34 0.00 -2.81 0.00 0.00 179.45 177.93 3kxp h ALA 271 N 0.96 1.09 0.02 5.00 0.00 -0.75 0.13 119.26 125.72 3kxp h ALA 271 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kxp h ALA 271 Cb 0.58 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kxp h ALA 271 CO 0.03 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.75 3kxp h ILE 272 N 1.16 1.11 -0.73 0.00 2.04 -0.91 -2.45 117.51 117.74 3kxp h ILE 272 Ca 0.27 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3kxp h ILE 272 Cb 0.18 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3kxp h ILE 272 CO -0.03 0.11 0.27 0.71 0.00 0.00 0.00 178.15 179.21 3kxp h THR 273 N -0.21 1.25 -0.37 -0.27 1.35 -1.09 -1.75 112.91 111.83 3kxp h THR 273 Ca -0.00 -0.83 0.02 0.00 -0.55 0.00 0.00 66.41 65.05 3kxp h THR 273 Cb 0.20 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 3kxp h THR 273 CO 0.01 0.33 0.24 0.78 -0.25 0.00 0.00 175.52 176.63 3kxp h ASN 274 N 1.06 0.35 0.32 5.36 2.35 -0.91 -1.16 115.58 122.94 3kxp h ASN 274 Ca 0.24 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3kxp h ASN 274 Cb 0.24 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3kxp h ASN 274 CO -0.02 0.24 -0.15 0.15 -1.65 0.00 0.00 177.43 176.01 3kxp h PHE 275 N 0.41 -0.40 0.00 1.19 -0.00 -0.92 -3.25 116.94 113.97 3kxp h PHE 275 Ca 0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.11 3kxp h PHE 275 Cb 0.08 0.13 0.00 0.00 -0.00 0.00 0.00 35.95 36.16 3kxp h PHE 275 CO -0.00 -0.22 0.00 -0.84 -0.00 0.00 0.00 178.31 177.25 3kxp h ILE 276 N -1.10 0.00 -0.19 1.41 3.07 -1.30 -3.16 117.51 116.24 3kxp h ILE 276 Ca -0.04 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.00 3kxp h ILE 276 Cb 0.35 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 3kxp h ILE 276 CO 0.07 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.64 3kxp n ASP 277 N -2.31 3.10 0.00 2.16 8.00 -0.44 -5.09 116.55 121.97 3kxp n ASP 277 Ca 0.03 -1.95 0.04 0.00 0.71 0.00 0.00 54.79 53.63 3kxp n ASP 277 Cb 0.32 -0.11 0.25 0.00 -0.02 0.00 0.00 41.12 41.57 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81