#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 3.41 -0.25 -1.40 0.40 -1.26 -4.90 117.98 113.98 3kxp s PHE 12 Ca 0.00 0.12 -0.08 0.00 -0.60 0.00 0.00 56.93 56.37 3kxp s PHE 12 Cb 0.00 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 3kxp s PHE 12 CO 0.00 0.54 0.10 0.42 0.70 0.00 0.00 175.22 176.97 3kxp s ILE 13 N -1.65 4.56 0.13 0.64 1.01 -0.24 -4.88 121.20 120.77 3kxp s ILE 13 Ca 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.91 3kxp s ILE 13 Cb -0.11 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3kxp s ILE 13 CO 0.27 0.32 0.29 -0.44 0.00 0.00 0.00 174.94 175.38 3kxp s SER 14 N 1.61 6.36 -0.28 3.58 0.01 -1.26 -1.33 113.70 122.39 3kxp s SER 14 Ca 0.06 0.27 -0.26 0.00 1.31 0.00 0.00 55.95 57.33 3kxp s SER 14 Cb -0.15 -1.95 0.16 0.00 0.21 0.00 0.00 66.02 64.28 3kxp s SER 14 CO 0.05 0.07 1.23 0.00 0.41 0.00 0.00 173.24 175.00 3kxp s ARG 15 N -3.01 0.29 -0.11 12.44 1.70 -1.00 -5.00 118.95 124.25 3kxp s ARG 15 Ca 0.36 0.29 -0.26 0.00 -0.47 0.00 0.00 55.73 55.65 3kxp s ARG 15 Cb -0.12 0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.38 3kxp s ARG 15 CO 0.28 -0.05 0.84 1.03 -1.08 0.00 0.00 175.30 176.32 3kxp s ARG 16 N -0.09 4.38 -0.16 3.89 0.52 -1.26 -2.12 118.95 124.11 3kxp s ARG 16 Ca 0.05 1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 56.29 3kxp s ARG 16 Cb -0.04 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 3kxp s ARG 16 CO -0.10 -0.19 0.00 0.08 0.02 0.00 0.00 175.30 175.11 3kxp s VAL 17 N 1.65 4.26 -0.12 3.52 1.01 0.35 -4.90 120.40 126.15 3kxp s VAL 17 Ca 0.41 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 3kxp s VAL 17 Cb -0.18 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3kxp s VAL 17 CO 0.16 0.49 0.46 -0.62 0.00 0.00 0.00 175.10 175.60 3kxp s ASP 18 N 0.26 6.66 -0.08 3.32 3.68 -1.26 0.35 116.67 129.60 3kxp s ASP 18 Ca -0.00 0.78 0.12 0.00 2.13 0.00 0.00 52.55 55.58 3kxp s ASP 18 Cb -0.13 -2.28 0.21 0.00 -1.45 0.00 0.00 42.92 39.27 3kxp s ASP 18 CO 0.02 0.00 1.13 2.30 0.13 0.00 0.00 175.17 178.75 3kxp n ILE 19 N 3.71 1.56 0.00 4.11 -5.35 0.04 -4.98 119.36 118.45 3kxp n ILE 19 Ca -0.07 -1.71 0.00 0.00 -0.27 0.00 0.00 62.75 60.70 3kxp n ILE 19 Cb 0.52 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 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 -0.89 2.03 0.32 3.28 0.00 -1.26 -4.58 105.19 104.08 3kxp n GLY 20 Ca 0.11 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.99 1.61 0.11 -1.99 -3.45 114.38 108.68 3kxp h ARG 21 Ca 0.00 0.00 0.24 0.00 0.10 0.00 0.00 59.98 60.32 3kxp h ARG 21 Cb 0.00 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 30.98 3kxp h ARG 21 CO 0.00 0.00 0.62 -1.50 0.10 0.00 0.00 179.97 179.19 3kxp s ILE 22 N -4.95 0.00 -0.09 0.08 2.07 -1.26 -5.16 121.20 111.89 3kxp s ILE 22 Ca -0.05 -0.49 0.04 0.00 -1.41 0.00 0.00 60.65 58.74 3kxp s ILE 22 Cb 0.17 -2.01 -0.00 0.00 0.13 0.00 0.00 42.46 40.75 3kxp s ILE 22 CO 0.66 0.00 -0.23 0.42 -1.91 0.00 0.00 174.94 173.88 3kxp s THR 23 N -2.94 1.99 0.13 4.00 -4.23 -1.26 -0.78 115.64 112.55 3kxp s THR 23 Ca 0.13 -0.99 0.11 0.00 -1.18 0.00 0.00 61.69 59.76 3kxp s THR 23 Cb 0.01 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 3kxp s THR 23 CO -0.00 0.55 -0.27 -0.76 -0.54 0.00 0.00 174.62 173.60 3kxp s LEU 24 N 0.22 2.31 0.02 4.79 1.43 0.15 -1.79 118.68 125.82 3kxp s LEU 24 Ca -0.14 -0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 52.03 3kxp s LEU 24 Cb -0.17 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.80 3kxp s LEU 24 CO 0.07 0.17 0.53 0.21 0.23 0.00 0.00 176.35 177.57 3kxp s ASN 25 N -2.03 6.95 0.08 2.29 2.47 -1.26 0.13 114.94 123.57 3kxp s ASN 25 Ca 0.13 1.13 0.01 0.00 0.42 0.00 0.00 52.86 54.55 3kxp s ASN 25 Cb -0.10 -2.33 -0.04 0.00 -1.45 0.00 0.00 41.25 37.33 3kxp s ASN 25 CO 0.06 0.21 -0.05 0.68 -3.72 0.00 0.00 177.10 174.28 3kxp s VAL 26 N -0.69 0.51 -0.12 -5.21 -7.23 -0.90 -1.20 120.40 105.56 3kxp s VAL 26 Ca 0.28 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3kxp s VAL 26 Cb -0.18 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.18 3kxp s VAL 26 CO 0.16 -0.91 -0.21 -0.13 -0.31 0.00 0.00 175.10 173.71 3kxp s ARG 27 N -3.80 2.83 0.19 4.82 0.52 0.29 -2.39 118.95 121.42 3kxp s ARG 27 Ca 0.09 -0.79 0.10 0.00 -0.52 0.00 0.00 55.73 54.61 3kxp s ARG 27 Cb 0.06 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3kxp s ARG 27 CO -0.07 0.04 -0.20 -2.00 0.02 0.00 0.00 175.30 173.09 3kxp s GLU 28 N 0.69 1.39 -0.30 3.54 2.12 -0.44 -0.91 118.70 124.79 3kxp s GLU 28 Ca -0.11 -1.50 -0.23 0.00 0.36 0.00 0.00 54.97 53.49 3kxp s GLU 28 Cb -0.16 -1.50 0.18 0.00 0.26 0.00 0.00 34.13 32.91 3kxp s GLU 28 CO 0.02 0.30 1.33 0.21 -0.54 0.00 0.00 175.26 176.58 3kxp s LYS 29 N -2.92 0.14 0.00 4.30 2.20 -1.05 -1.08 119.74 121.33 3kxp s LYS 29 Ca 0.19 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3kxp s LYS 29 Cb -0.06 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 3kxp s LYS 29 CO 0.08 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 3kxp n GLY 30 N 2.02 0.04 2.99 5.54 0.00 -1.26 -2.55 105.19 111.98 3kxp n GLY 30 Ca -0.12 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.57 0.14 0.00 1.61 1.04 -1.15 -4.59 113.70 110.18 3kxp s SER 31 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3kxp s SER 31 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3kxp s SER 31 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 3kxp n GLY 32 N 1.86 0.66 3.77 7.32 0.00 -1.26 -2.72 105.19 114.82 3kxp n GLY 32 Ca -0.21 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 3kxp n GLY 32 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kxp s PRO 33 N -1.42 4.02 1.17 1.61 0.02 -1.25 -3.91 135.00 135.24 3kxp s PRO 33 Ca 0.00 2.19 -0.18 0.00 0.02 0.00 0.00 61.00 63.03 3kxp s PRO 33 Cb 0.00 -2.81 0.27 0.00 0.02 0.00 0.00 34.50 31.99 3kxp s PRO 33 CO 0.00 -0.46 1.10 -1.17 -0.33 0.00 0.00 177.00 176.14 3kxp s LEU 34 N -2.34 0.79 -0.28 -5.54 2.96 -1.26 -0.99 118.68 112.02 3kxp s LEU 34 Ca 0.56 0.77 -0.25 0.00 -0.22 0.00 0.00 54.13 54.98 3kxp s LEU 34 Cb -0.39 -2.58 0.13 0.00 0.50 0.00 0.00 46.19 43.86 3kxp s LEU 34 CO 0.50 -3.99 1.08 -0.76 -1.32 0.00 0.00 176.35 171.86 3kxp s LEU 36 N -6.89 -0.40 -0.10 -0.68 1.02 -0.12 -0.99 118.68 110.51 3kxp s LEU 36 Ca 0.70 0.77 0.04 0.00 0.02 0.00 0.00 54.13 55.65 3kxp s LEU 36 Cb -0.12 1.78 0.00 0.00 0.02 0.00 0.00 46.19 47.87 3kxp s LEU 36 CO 0.57 -0.13 -0.24 -0.36 0.02 0.00 0.00 176.35 176.21 3kxp s PHE 37 N 0.22 2.57 -0.15 0.29 0.40 -0.77 0.24 117.98 120.78 3kxp s PHE 37 Ca 0.04 -1.08 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 3kxp s PHE 37 Cb -0.05 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.78 3kxp s PHE 37 CO -0.08 -0.44 -0.13 -0.06 0.70 0.00 0.00 175.22 175.21 3kxp s PHE 38 N 0.40 2.14 1.21 0.36 0.40 -0.14 -1.26 117.98 121.09 3kxp s PHE 38 Ca -0.18 -1.21 -0.20 0.00 -0.60 0.00 0.00 56.93 54.74 3kxp s PHE 38 Cb -0.18 -1.58 0.29 0.00 0.51 0.00 0.00 43.02 42.07 3kxp s PHE 38 CO 0.08 -0.67 1.13 -3.38 0.70 0.00 0.00 175.22 173.08 3kxp s HIS 39 N 1.50 0.32 0.64 0.36 -3.43 -1.26 -0.99 115.29 112.43 3kxp s HIS 39 Ca 0.05 0.41 0.03 0.00 -0.80 0.00 0.00 55.06 54.74 3kxp s HIS 39 Cb -0.13 -3.53 0.10 0.00 -1.43 0.00 0.00 32.58 27.59 3kxp s HIS 39 CO -0.10 -3.93 0.88 0.20 -2.00 0.00 0.00 174.74 169.79 3kxp s GLY 40 N -4.03 1.78 0.17 -1.38 0.00 -1.23 -2.24 107.32 100.39 3kxp s GLY 40 Ca 0.72 -1.76 -0.34 0.00 0.00 0.00 0.00 44.72 43.34 3kxp s GLY 40 CO 0.56 -1.29 1.57 4.51 0.00 0.00 0.00 173.10 178.45 3kxp n ILE 41 N -2.55 0.07 -0.86 0.90 3.06 -1.26 -1.90 119.36 116.81 3kxp n ILE 41 Ca 0.14 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.37 3kxp n ILE 41 Cb 0.61 -1.56 0.00 0.00 0.54 0.00 0.00 39.64 39.23 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 3.34 0.00 -2.60 9.51 -2.24 -1.26 -5.00 114.28 116.03 3kxp n THR 42 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3kxp n THR 42 Cb 0.29 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.04 0.00 -3.74 3.42 2.88 -0.80 -4.88 113.62 110.47 3kxp n SER 43 Ca 0.00 -0.86 -0.10 0.00 -1.33 0.00 0.00 58.87 56.59 3kxp n SER 43 Cb 0.02 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.04 0.43 -3.46 2.20 -1.26 -4.44 114.94 107.46 3kxp s ASN 44 Ca 0.00 -0.99 0.13 0.00 -0.94 0.00 0.00 52.86 51.06 3kxp s ASN 44 Cb 0.00 0.65 1.01 0.00 -2.00 0.00 0.00 41.25 40.92 3kxp s ASN 44 CO 0.00 -1.26 1.98 0.77 -2.94 0.00 0.00 177.10 175.65 3kxp h SER 45 N 2.16 0.38 -0.89 3.54 4.64 -1.92 -2.97 113.55 118.50 3kxp h SER 45 Ca -0.26 0.01 0.25 0.00 -0.47 0.00 0.00 61.79 61.32 3kxp h SER 45 Cb 1.25 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 3kxp h SER 45 CO 0.34 0.23 0.63 0.00 -0.87 0.00 0.00 176.83 177.17 3kxp h ALA 46 N 1.70 2.76 -0.17 5.18 0.00 -1.94 -1.68 119.26 125.11 3kxp h ALA 46 Ca 0.27 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3kxp h ALA 46 Cb 0.51 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kxp h ALA 46 CO -0.08 -1.02 0.14 0.28 0.00 0.00 0.00 179.25 178.57 3kxp h VAL 47 N 0.05 0.74 -0.00 0.00 2.07 -1.85 -2.38 116.25 114.88 3kxp h VAL 47 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 3kxp h VAL 47 Cb 1.63 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3kxp h VAL 47 CO -0.03 0.00 -0.13 0.49 0.02 0.00 0.00 177.57 177.92 3kxp n PHE 48 N -4.22 0.00 -0.33 1.57 3.01 -0.63 -4.35 117.46 112.51 3kxp n PHE 48 Ca 0.01 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.47 3kxp n PHE 48 Cb 0.26 -0.18 0.13 0.00 -0.01 0.00 0.00 39.48 39.68 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 0.66 1.07 -0.40 -1.08 5.08 -1.58 -2.53 114.58 115.80 3kxp h GLU 49 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3kxp h GLU 49 Cb 0.39 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3kxp h GLU 49 CO 0.00 0.71 0.20 -1.35 -1.00 0.00 0.00 179.01 177.57 3kxp h PRO 50 N 1.10 0.55 -1.17 2.33 0.11 -1.82 -2.44 132.00 130.67 3kxp h PRO 50 Ca 0.37 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.40 3kxp h PRO 50 Cb 0.05 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3kxp h PRO 50 CO -0.13 0.42 0.03 -0.11 -0.21 0.00 0.00 178.00 178.00 3kxp n LEU 51 N -4.42 3.58 0.00 2.35 7.94 -0.95 -4.16 117.00 121.34 3kxp n LEU 51 Ca 0.03 -1.76 0.00 0.00 -1.11 0.00 0.00 56.01 53.17 3kxp n LEU 51 Cb 0.11 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.44 3kxp n LEU 51 CO 0.36 0.62 0.00 -0.38 -1.11 0.00 0.00 177.39 176.88 3kxp n ILE 53 N 0.59 0.00 1.68 1.96 5.41 -0.92 -3.64 119.36 124.45 3kxp n ILE 53 Ca 0.03 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.93 3kxp n ILE 53 Cb 0.55 0.00 0.83 0.00 -0.71 0.00 0.00 39.64 40.31 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 0.73 0.00 0.38 5.12 -1.26 -3.68 116.66 117.94 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 -1.12 0.00 0.26 0.55 4.77 -1.24 -4.77 117.00 115.45 3kxp n LEU 55 Ca 0.19 -0.13 0.17 0.00 -0.03 0.00 0.00 56.01 56.21 3kxp n LEU 55 Cb 0.16 0.00 0.90 0.00 -2.33 0.00 0.00 43.42 42.15 3kxp n LEU 55 CO 0.19 0.00 1.14 0.77 -1.33 0.00 0.00 177.39 178.17 3kxp h SER 56 N 0.00 0.00 0.54 -1.43 4.64 -1.72 0.65 113.55 116.23 3kxp h SER 56 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kxp h SER 56 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kxp h SER 56 CO 0.00 0.00 -0.02 -2.24 -0.87 0.00 0.00 176.83 173.70 3kxp h ASP 57 N 0.00 0.00 0.00 4.97 2.03 -1.86 -3.04 116.42 118.52 3kxp h ASP 57 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3kxp h ASP 57 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 3kxp h ASP 57 CO -0.00 0.02 -0.61 0.54 -1.03 0.00 0.00 179.24 178.16 3kxp n ARG 58 N -3.17 2.23 -4.26 4.15 1.74 -0.47 -4.83 116.66 112.05 3kxp n ARG 58 Ca -0.01 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 3kxp n ARG 58 Cb 0.21 -0.79 -0.10 0.00 -1.02 0.00 0.00 32.46 30.76 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 -1.28 1.37 -1.11 -1.55 0.40 0.10 -3.91 117.98 112.01 3kxp s PHE 59 Ca 0.00 -0.67 -0.16 0.00 -0.60 0.00 0.00 56.93 55.50 3kxp s PHE 59 Cb 0.00 -0.69 0.15 0.00 0.51 0.00 0.00 43.02 42.99 3kxp s PHE 59 CO 0.00 0.15 1.35 0.99 0.70 0.00 0.00 175.22 178.40 3kxp s THR 60 N -2.93 4.82 -0.09 0.64 2.01 -0.16 -3.21 115.64 116.72 3kxp s THR 60 Ca 0.15 -2.14 -0.30 0.00 0.31 0.00 0.00 61.69 59.72 3kxp s THR 60 Cb -0.00 -4.89 -0.03 0.00 0.01 0.00 0.00 72.50 67.59 3kxp s THR 60 CO 0.02 -1.62 1.20 0.42 -0.69 0.00 0.00 174.62 173.95 3kxp s THR 61 N 2.28 4.31 -0.20 -0.82 -4.23 -1.06 -4.48 115.64 111.44 3kxp s THR 61 Ca 0.40 1.62 -0.02 0.00 -1.18 0.00 0.00 61.69 62.50 3kxp s THR 61 Cb -0.03 -4.04 0.06 0.00 1.34 0.00 0.00 72.50 69.83 3kxp s THR 61 CO -0.03 -0.04 0.02 -0.63 -0.54 0.00 0.00 174.62 173.40 3kxp s ILE 62 N 2.56 0.71 0.21 2.99 1.01 -1.26 -2.54 121.20 124.88 3kxp s ILE 62 Ca 0.55 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 60.22 3kxp s ILE 62 Cb -0.23 -1.18 -0.09 0.00 0.01 0.00 0.00 42.46 40.97 3kxp s ILE 62 CO 0.19 -0.20 0.88 0.00 0.00 0.00 0.00 174.94 175.81 3kxp s ALA 63 N 1.77 3.38 -0.07 9.38 0.00 -0.09 -1.84 121.76 134.29 3kxp s ALA 63 Ca -0.02 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.51 3kxp s ALA 63 Cb -0.17 -3.11 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 3kxp s ALA 63 CO -0.08 0.24 -0.22 0.08 0.00 0.00 0.00 175.76 175.78 3kxp s VAL 64 N -1.17 1.87 -0.32 0.00 1.01 -0.39 -0.54 120.40 120.85 3kxp s VAL 64 Ca 0.39 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3kxp s VAL 64 Cb -0.25 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3kxp s VAL 64 CO 0.30 0.52 0.82 -1.81 0.00 0.00 0.00 175.10 174.93 3kxp s ASP 65 N 0.13 6.68 0.57 3.32 -0.00 -0.34 -4.26 116.67 122.77 3kxp s ASP 65 Ca -0.10 0.65 -0.09 0.00 -0.00 0.00 0.00 52.55 53.01 3kxp s ASP 65 Cb -0.15 -2.42 -0.04 0.00 -0.00 0.00 0.00 42.92 40.31 3kxp s ASP 65 CO 0.05 -0.67 0.95 -1.10 -0.00 0.00 0.00 175.17 174.40 3kxp s GLN 66 N 3.08 3.58 0.20 8.23 -0.21 -1.26 -4.25 119.66 129.03 3kxp s GLN 66 Ca 0.34 0.56 -0.30 0.00 0.02 0.00 0.00 55.36 55.99 3kxp s GLN 66 Cb -0.14 -2.18 -0.16 0.00 1.00 0.00 0.00 33.01 31.53 3kxp s GLN 66 CO 0.14 -0.44 0.76 2.89 -2.12 0.00 0.00 175.29 176.52 3kxp n ARG 67 N -2.56 0.47 0.00 2.91 1.85 -1.26 -1.34 116.66 116.72 3kxp n ARG 67 Ca 0.04 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 3kxp n ARG 67 Cb 0.54 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 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 1.76 3.09 3.71 2.89 0.00 -0.76 -5.01 105.19 110.87 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 -1.90 2.62 0.00 1.61 3.76 -0.45 -1.29 115.29 119.64 3kxp s HIS 69 Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 3kxp s HIS 69 Cb 0.00 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.91 3kxp s HIS 69 CO 0.00 0.29 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 3kxp n GLY 70 N -1.15 2.60 1.69 -2.22 0.00 -1.26 -2.08 105.19 102.76 3kxp n GLY 70 Ca -0.02 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 5.42 -4.95 0.99 4.77 -1.26 -4.67 117.00 117.30 3kxp n LEU 71 Ca 0.00 -3.13 -0.23 0.00 -0.03 0.00 0.00 56.01 52.62 3kxp n LEU 71 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3kxp n LEU 71 CO 0.00 0.75 0.22 -0.44 -1.33 0.00 0.00 177.39 176.59 3kxp s SER 72 N -1.25 6.03 0.57 -1.43 0.01 -0.89 -4.24 113.70 112.51 3kxp s SER 72 Ca 0.52 0.30 -0.19 0.00 1.31 0.00 0.00 55.95 57.89 3kxp s SER 72 Cb 0.41 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.88 3kxp s SER 72 CO 0.12 -0.51 0.99 0.47 0.41 0.00 0.00 173.24 174.72 3kxp n ASP 73 N -1.92 0.92 -3.65 2.44 8.00 -0.74 -4.52 116.55 117.09 3kxp n ASP 73 Ca -0.01 0.85 -0.27 0.00 0.71 0.00 0.00 54.79 56.06 3kxp n ASP 73 Cb 0.57 -1.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.17 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 -0.83 1.51 -1.35 -1.24 5.02 -1.26 -1.82 118.16 118.19 3kxp n LYS 74 Ca 0.13 -4.14 -0.35 0.00 -2.02 0.00 0.00 58.31 51.93 3kxp n LYS 74 Cb 0.46 -2.06 0.10 0.00 -0.02 0.00 0.00 35.03 33.50 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 1.90 0.53 0.27 1.97 -0.04 -1.26 -4.89 135.00 133.48 3kxp n PRO 75 Ca 0.24 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 3kxp n PRO 75 Cb 0.40 -2.36 0.74 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.30 0.00 -3.21 0.54 4.81 -2.01 -3.46 114.58 110.94 3kxp h GLU 76 Ca -0.48 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3kxp h GLU 76 Cb 1.32 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.62 3kxp h GLU 76 CO 0.48 0.11 0.10 -0.08 -0.73 0.00 0.00 179.01 178.88 3kxp s THR 77 N -4.26 0.01 0.00 0.32 -1.32 -1.26 -4.95 115.64 104.18 3kxp s THR 77 Ca -0.03 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 3kxp s THR 77 Cb 0.13 -1.75 0.00 0.00 -1.51 0.00 0.00 72.50 69.38 3kxp s THR 77 CO 0.58 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 3kxp n GLY 78 N -0.39 0.84 2.48 6.08 0.00 -1.26 -5.06 105.19 107.88 3kxp n GLY 78 Ca -0.07 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 3.10 -3.33 1.61 4.02 -1.26 -4.75 117.16 116.56 3kxp n TYR 79 Ca 0.00 -3.03 -0.20 0.00 -0.01 0.00 0.00 57.90 54.66 3kxp n TYR 79 Cb 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 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 -3.50 2.54 0.23 -0.72 0.41 -1.26 -4.17 118.70 112.24 3kxp s GLU 80 Ca 0.46 -1.53 -0.07 0.00 -0.41 0.00 0.00 54.97 53.42 3kxp s GLU 80 Cb 0.41 -2.51 0.40 0.00 -1.78 0.00 0.00 34.13 30.64 3kxp s GLU 80 CO -0.15 -0.40 1.67 0.00 -0.49 0.00 0.00 175.26 175.88 3kxp h ALA 81 N 0.70 0.80 -0.15 5.21 0.00 -1.97 -2.28 119.26 121.58 3kxp h ALA 81 Ca -0.38 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kxp h ALA 81 Cb 1.28 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3kxp h ALA 81 CO 0.50 -0.37 0.08 -0.91 0.00 0.00 0.00 179.25 178.55 3kxp h ASN 82 N 0.19 0.19 -0.23 0.00 -0.26 -1.98 0.69 115.58 114.17 3kxp h ASN 82 Ca 0.38 -0.10 0.06 0.00 -0.56 0.00 0.00 56.30 56.09 3kxp h ASN 82 Cb 0.65 -0.05 -0.07 0.00 -1.06 0.00 0.00 38.32 37.80 3kxp h ASN 82 CO -0.54 0.23 -0.21 0.44 -1.06 0.00 0.00 177.43 176.28 3kxp h ASP 83 N 0.13 -0.68 -0.75 5.81 3.32 -1.73 0.40 116.42 122.91 3kxp h ASP 83 Ca 0.05 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3kxp h ASP 83 Cb 0.09 0.33 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3kxp h ASP 83 CO -0.01 -0.25 0.26 1.88 -1.72 0.00 0.00 179.24 179.40 3kxp h TYR 84 N -0.22 1.19 -0.55 4.55 -1.99 -1.33 -2.45 116.97 116.15 3kxp h TYR 84 Ca 0.13 -0.11 -0.09 0.00 2.00 0.00 0.00 58.73 60.67 3kxp h TYR 84 Cb 0.42 -0.35 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 3kxp h TYR 84 CO -0.37 0.92 -0.00 0.00 -0.00 0.00 0.00 178.16 178.71 3kxp h ALA 85 N 1.14 0.75 -0.36 3.88 0.00 0.01 -2.65 119.26 122.01 3kxp h ALA 85 Ca 0.25 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 85 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kxp h ALA 85 CO -0.01 0.58 0.02 -0.44 0.00 0.00 0.00 179.25 179.40 3kxp h ASP 86 N 0.86 0.52 -0.63 0.00 3.32 -0.10 -1.97 116.42 118.42 3kxp h ASP 86 Ca 0.16 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3kxp h ASP 86 Cb 0.55 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3kxp h ASP 86 CO 0.03 0.57 0.42 0.44 -1.72 0.00 0.00 179.24 178.98 3kxp h ASP 87 N 0.54 0.69 0.34 6.45 3.45 -1.09 0.12 116.42 126.92 3kxp h ASP 87 Ca 0.12 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.41 3kxp h ASP 87 Cb 0.31 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3kxp h ASP 87 CO 0.01 0.49 -0.62 0.40 -1.57 0.00 0.00 179.24 177.95 3kxp h ILE 88 N 0.81 1.39 0.19 0.35 2.04 -1.15 -1.92 117.51 119.21 3kxp h ILE 88 Ca 0.24 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 3kxp h ILE 88 Cb -0.02 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3kxp h ILE 88 CO -0.06 0.59 -0.09 0.00 0.00 0.00 0.00 178.15 178.60 3kxp h ALA 89 N 1.15 -0.25 -0.91 1.87 0.00 -0.92 -1.79 119.26 118.41 3kxp h ALA 89 Ca -0.01 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.89 3kxp h ALA 89 Cb 1.13 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3kxp h ALA 89 CO 0.10 -0.31 0.59 0.78 0.00 0.00 0.00 179.25 180.41 3kxp h GLY 90 N -0.91 1.02 1.35 0.00 0.00 -0.86 0.15 103.07 103.83 3kxp h GLY 90 Ca -0.03 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 3kxp h GLY 90 CO 0.04 0.00 -0.51 -2.00 0.00 0.00 0.00 176.54 174.08 3kxp h LEU 91 N 0.49 0.76 -0.90 3.11 7.12 -1.33 -2.24 115.31 122.31 3kxp h LEU 91 Ca 0.48 -0.39 -0.11 0.00 0.13 0.00 0.00 57.88 57.99 3kxp h LEU 91 Cb 1.07 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 3kxp h LEU 91 CO -0.20 1.13 -0.40 0.40 -0.13 0.00 0.00 178.44 179.23 3kxp h ILE 92 N 0.54 1.31 0.57 4.05 2.04 0.16 -1.98 117.51 124.19 3kxp h ILE 92 Ca 0.02 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.34 3kxp h ILE 92 Cb 1.07 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 38.80 3kxp h ILE 92 CO 0.10 0.46 -0.27 0.03 0.00 0.00 0.00 178.15 178.47 3kxp h ARG 93 N 0.25 -0.73 -0.55 2.37 3.08 -1.11 -2.91 114.38 114.78 3kxp h ARG 93 Ca 0.02 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.22 3kxp h ARG 93 Cb 0.82 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 30.93 3kxp h ARG 93 CO 0.06 -0.44 -0.33 1.15 -1.07 0.00 0.00 179.97 179.35 3kxp h THR 94 N -1.13 0.19 -0.05 2.04 2.02 -1.37 0.26 112.91 114.88 3kxp h THR 94 Ca -0.08 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3kxp h THR 94 Cb 0.63 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3kxp h THR 94 CO 0.13 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.99 3kxp h LEU 95 N -0.18 0.00 -3.46 2.58 3.38 -1.45 -3.46 115.31 112.73 3kxp h LEU 95 Ca 0.22 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.59 3kxp h LEU 95 Cb 0.54 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3kxp h LEU 95 CO -0.65 0.00 -1.00 0.00 0.09 0.00 0.00 178.44 176.88 3kxp n ALA 96 N -2.46 -2.46 -1.97 1.53 0.00 0.90 -4.87 120.51 111.18 3kxp n ALA 96 Ca -0.02 -0.54 0.02 0.00 0.00 0.00 0.00 53.44 52.90 3kxp n ALA 96 Cb 0.14 -2.18 0.13 0.00 0.00 0.00 0.00 19.45 17.53 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 -4.94 1.36 0.00 0.00 1.74 -1.26 -5.11 116.66 108.45 3kxp n ARG 97 Ca -0.17 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 53.87 3kxp n ARG 97 Cb 0.60 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 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 -0.59 -1.84 3.85 -0.13 0.00 -1.26 -4.44 105.19 100.78 3kxp n GLY 98 Ca 0.17 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 3.43 0.15 1.61 -3.43 -1.26 -4.96 115.29 110.83 3kxp s HIS 99 Ca 0.00 1.36 0.08 0.00 -0.80 0.00 0.00 55.06 55.69 3kxp s HIS 99 Cb 0.00 -2.69 -0.04 0.00 -1.43 0.00 0.00 32.58 28.42 3kxp s HIS 99 CO 0.00 -0.21 -0.06 0.00 -2.00 0.00 0.00 174.74 172.47 3kxp s ALA 100 N -2.42 3.05 -0.33 -1.38 0.00 -0.80 -4.33 121.76 115.55 3kxp s ALA 100 Ca 0.57 -1.36 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 3kxp s ALA 100 Cb -0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 3kxp s ALA 100 CO 0.27 0.53 0.50 0.42 0.00 0.00 0.00 175.76 177.48 3kxp s ILE 101 N -1.56 5.04 -0.22 0.00 1.01 -0.16 -1.35 121.20 123.95 3kxp s ILE 101 Ca 0.25 0.40 -0.21 0.00 0.00 0.00 0.00 60.65 61.09 3kxp s ILE 101 Cb -0.10 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 3kxp s ILE 101 CO 0.16 -0.15 0.65 -0.76 0.00 0.00 0.00 174.94 174.84 3kxp s LEU 102 N 2.35 4.11 -0.36 2.97 1.02 -0.56 -0.95 118.68 127.25 3kxp s LEU 102 Ca 0.18 0.80 -0.01 0.00 0.02 0.00 0.00 54.13 55.13 3kxp s LEU 102 Cb -0.16 -2.90 0.09 0.00 0.02 0.00 0.00 46.19 43.24 3kxp s LEU 102 CO 0.13 -0.33 0.12 -0.69 0.02 0.00 0.00 176.35 175.59 3kxp s VAL 103 N 2.22 2.96 -0.01 -1.59 1.01 0.14 0.22 120.40 125.35 3kxp s VAL 103 Ca 0.28 -1.96 0.07 0.00 0.00 0.00 0.00 61.98 60.38 3kxp s VAL 103 Cb -0.16 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3kxp s VAL 103 CO 0.09 -0.52 -0.24 -0.83 0.00 0.00 0.00 175.10 173.60 3kxp s GLY 104 N 1.47 1.18 -0.14 4.51 0.00 -0.78 -0.97 107.32 112.59 3kxp s GLY 104 Ca 0.05 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 3kxp s GLY 104 CO -0.04 -0.88 -0.01 -1.58 0.00 0.00 0.00 173.10 170.59 3kxp s HIS 105 N -0.59 3.11 0.00 1.90 2.46 -0.16 -0.83 115.29 121.18 3kxp s HIS 105 Ca 0.09 -0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.55 3kxp s HIS 105 Cb -0.09 -1.93 0.00 0.00 -0.13 0.00 0.00 32.58 30.43 3kxp s HIS 105 CO -0.00 0.16 0.00 0.45 -2.47 0.00 0.00 174.74 172.87 3kxp n SER 106 N 3.11 0.00 -0.30 9.88 2.88 0.31 0.12 113.62 129.63 3kxp n SER 106 Ca -0.18 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.48 3kxp n SER 106 Cb 0.53 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.36 -0.49 2.46 5.85 -1.91 0.18 115.31 121.77 3kxp h LEU 107 Ca 0.00 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kxp h LEU 107 Cb 0.00 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3kxp h LEU 107 CO 0.00 0.04 0.32 1.23 -0.34 0.00 0.00 178.44 179.69 3kxp h GLY 108 N 0.44 0.69 0.97 3.75 0.00 0.15 0.13 103.07 109.20 3kxp h GLY 108 Ca 0.54 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 3kxp h GLY 108 CO -0.50 0.25 0.15 0.00 0.00 0.00 0.00 176.54 176.45 3kxp h ALA 109 N 1.18 0.32 -0.11 3.60 0.00 -0.66 0.96 119.26 124.54 3kxp h ALA 109 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kxp h ALA 109 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3kxp h ALA 109 CO -0.04 -0.17 -0.07 -0.09 0.00 0.00 0.00 179.25 178.88 3kxp h ARG 110 N 0.31 -0.07 -0.62 0.00 1.12 -0.58 -1.02 114.38 113.52 3kxp h ARG 110 Ca 0.09 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 3kxp h ARG 110 Cb 0.03 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 29.97 3kxp h ARG 110 CO -0.02 -0.04 0.37 -0.91 -3.11 0.00 0.00 179.97 176.26 3kxp h ASN 111 N -0.07 0.75 -0.29 -3.80 2.35 -0.48 -2.52 115.58 111.52 3kxp h ASN 111 Ca 0.07 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3kxp h ASN 111 Cb 0.17 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3kxp h ASN 111 CO -0.16 0.59 0.09 0.28 -1.65 0.00 0.00 177.43 176.58 3kxp h SER 112 N 0.84 0.43 -0.63 5.81 0.02 -0.43 -1.74 113.55 117.85 3kxp h SER 112 Ca 0.22 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3kxp h SER 112 Cb -0.02 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3kxp h SER 112 CO -0.04 0.52 0.09 0.58 -1.14 0.00 0.00 176.83 176.83 3kxp h VAL 113 N 0.31 1.26 -0.47 2.27 2.07 -1.17 0.13 116.25 120.66 3kxp h VAL 113 Ca 0.09 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3kxp h VAL 113 Cb 0.25 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kxp h VAL 113 CO -0.00 0.39 0.24 0.74 0.02 0.00 0.00 177.57 178.96 3kxp h THR 114 N 1.00 1.15 0.00 2.57 2.02 -1.33 -1.79 112.91 116.53 3kxp h THR 114 Ca 0.19 -0.41 -0.26 0.00 0.77 0.00 0.00 66.41 66.71 3kxp h THR 114 Cb 0.45 0.53 0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3kxp h THR 114 CO 0.02 0.17 -1.03 0.00 0.37 0.00 0.00 175.52 175.05 3kxp h ALA 115 N 1.61 0.18 0.00 6.16 0.00 -0.61 -2.46 119.26 124.15 3kxp h ALA 115 Ca 0.17 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3kxp h ALA 115 Cb 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kxp h ALA 115 CO -0.03 0.72 -0.19 0.00 0.00 0.00 0.00 179.25 179.75 3kxp h ALA 116 N 0.48 1.55 0.02 0.00 0.00 -0.30 0.35 119.26 121.36 3kxp h ALA 116 Ca -0.12 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.37 3kxp h ALA 116 Cb 1.68 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 3kxp h ALA 116 CO 0.20 0.24 -1.25 0.00 0.00 0.00 0.00 179.25 178.43 3kxp h ALA 117 N 1.81 0.43 0.20 0.00 0.00 -1.34 -3.19 119.26 117.18 3kxp h ALA 117 Ca -0.00 -1.07 -0.35 0.00 0.00 0.00 0.00 54.91 53.49 3kxp h ALA 117 Cb 0.37 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kxp h ALA 117 CO 0.03 1.31 -1.70 -0.22 0.00 0.00 0.00 179.25 178.67 3kxp h LYS 118 N 0.01 0.43 -2.21 0.00 3.64 -0.93 -3.41 116.57 114.09 3kxp h LYS 118 Ca -0.11 -0.73 -0.59 0.00 -1.27 0.00 0.00 60.65 57.95 3kxp h LYS 118 Cb 1.87 0.27 -0.41 0.00 -0.41 0.00 0.00 32.23 33.55 3kxp h LYS 118 CO 0.12 1.35 -0.76 0.66 -2.27 0.00 0.00 179.45 178.56 3kxp n TYR 119 N -3.63 2.25 -0.29 1.91 4.02 0.12 -4.96 117.16 116.58 3kxp n TYR 119 Ca -0.23 -3.96 0.11 0.00 -0.01 0.00 0.00 57.90 53.80 3kxp n TYR 119 Cb 1.08 -0.47 0.35 0.00 -0.02 0.00 0.00 39.34 40.28 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 4.28 0.74 0.00 -0.72 0.13 -1.75 -1.70 132.00 132.98 3kxp h PRO 120 Ca 0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3kxp h PRO 120 Cb 0.74 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3kxp h PRO 120 CO 0.70 0.49 0.00 -0.44 -0.23 0.00 0.00 178.00 178.52 3kxp h ASP 121 N 0.76 0.00 0.56 1.44 3.45 -1.93 -3.14 116.42 117.57 3kxp h ASP 121 Ca 0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.91 3kxp h ASP 121 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3kxp h ASP 121 CO -0.21 0.00 -0.66 0.18 -1.57 0.00 0.00 179.24 176.98 3kxp n LEU 122 N -2.70 0.59 -3.94 1.55 4.77 -0.64 -4.72 117.00 111.91 3kxp n LEU 122 Ca 0.03 0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 3kxp n LEU 122 Cb 0.36 -0.19 -0.17 0.00 -2.33 0.00 0.00 43.42 41.09 3kxp n LEU 122 CO 0.27 0.07 -0.45 0.54 -1.33 0.00 0.00 177.39 176.49 3kxp s VAL 123 N -3.08 1.09 0.04 4.08 0.11 -1.19 -1.91 120.40 119.54 3kxp s VAL 123 Ca 0.08 -0.36 -0.27 0.00 -2.93 0.00 0.00 61.98 58.50 3kxp s VAL 123 Cb 0.16 -1.07 -0.17 0.00 -1.53 0.00 0.00 36.38 33.76 3kxp s VAL 123 CO 0.73 0.37 1.44 -0.09 -3.33 0.00 0.00 175.10 174.22 3kxp h ARG 124 N 7.85 -0.40 -3.26 1.54 2.43 -1.48 -3.46 114.38 117.59 3kxp h ARG 124 Ca -0.31 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 3kxp h ARG 124 Cb 1.15 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 3kxp h ARG 124 CO 0.43 -0.14 0.14 -1.54 -1.51 0.00 0.00 179.97 177.35 3kxp s SER 125 N -4.98 0.10 0.00 -3.80 1.04 -1.25 -4.22 113.70 100.58 3kxp s SER 125 Ca -0.15 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.22 3kxp s SER 125 Cb 0.03 0.77 -0.00 0.00 0.10 0.00 0.00 66.02 66.92 3kxp s SER 125 CO 0.60 -1.49 -0.01 -0.69 0.98 0.00 0.00 173.24 172.62 3kxp s VAL 126 N -2.97 0.07 -0.36 5.02 1.01 0.18 -1.49 120.40 121.85 3kxp s VAL 126 Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 3kxp s VAL 126 Cb -0.04 -0.08 0.09 0.00 0.00 0.00 0.00 36.38 36.35 3kxp s VAL 126 CO 0.12 -0.02 0.12 -0.69 0.00 0.00 0.00 175.10 174.62 3kxp s VAL 127 N -0.14 3.08 -0.55 2.92 1.01 0.13 -0.96 120.40 125.89 3kxp s VAL 127 Ca -0.01 -1.85 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 3kxp s VAL 127 Cb -0.01 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.42 3kxp s VAL 127 CO -0.00 -0.48 0.73 0.00 0.00 0.00 0.00 175.10 175.35 3kxp s ALA 128 N 1.15 3.32 -0.33 5.51 0.00 -0.32 -1.87 121.76 129.23 3kxp s ALA 128 Ca 0.04 -1.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.07 3kxp s ALA 128 Cb -0.21 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 3kxp s ALA 128 CO -0.04 -2.21 0.49 0.42 0.00 0.00 0.00 175.76 174.42 3kxp s ILE 129 N 3.02 5.05 -1.25 0.00 1.01 -0.01 -1.34 121.20 127.68 3kxp s ILE 129 Ca 0.18 0.38 -0.19 0.00 0.00 0.00 0.00 60.65 61.02 3kxp s ILE 129 Cb -0.19 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.37 3kxp s ILE 129 CO 0.12 -0.15 0.62 -0.67 0.00 0.00 0.00 174.94 174.86 3kxp n ASP 130 N 5.66 -3.39 -3.15 3.58 2.03 0.71 -0.53 116.55 121.46 3kxp n ASP 130 Ca -0.05 -1.12 0.05 0.00 0.52 0.00 0.00 54.79 54.18 3kxp n ASP 130 Cb 0.49 -2.65 -0.01 0.00 -0.72 0.00 0.00 41.12 38.23 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 -3.67 -1.00 0.35 -0.67 2.19 -1.26 -4.13 117.98 109.79 3kxp s PHE 131 Ca 0.34 1.04 0.04 0.00 0.33 0.00 0.00 56.93 58.68 3kxp s PHE 131 Cb -0.15 0.34 -0.02 0.00 -1.31 0.00 0.00 43.02 41.89 3kxp s PHE 131 CO 0.91 -0.55 0.15 0.25 1.83 0.00 0.00 175.22 177.81 3kxp n THR 132 N 5.45 0.00 -1.72 0.12 -2.24 -1.26 -4.62 114.28 110.00 3kxp n THR 132 Ca -0.04 -2.10 -0.30 0.00 -2.27 0.00 0.00 64.05 59.34 3kxp n THR 132 Cb 0.53 0.80 0.21 0.00 -2.10 0.00 0.00 70.33 69.76 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 -3.34 0.05 -0.13 -0.78 0.02 -1.26 -4.27 135.00 125.29 3kxp s PRO 133 Ca 0.21 -0.38 0.00 0.00 0.02 0.00 0.00 61.00 60.85 3kxp s PRO 133 Cb 0.01 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.76 3kxp s PRO 133 CO 0.15 -2.82 0.00 0.66 -0.33 0.00 0.00 177.00 174.66 3kxp n TYR 134 N -4.06 0.00 -1.70 6.54 4.02 -1.26 -4.78 117.16 115.92 3kxp n TYR 134 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 3kxp n TYR 134 Cb 0.59 -1.66 -0.02 0.00 -0.02 0.00 0.00 39.34 38.23 3kxp n TYR 134 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3kxp n ILE 135 N -2.24 1.04 -1.92 -0.72 5.41 -1.26 -4.71 119.36 114.97 3kxp n ILE 135 Ca -0.01 -0.26 -0.40 0.00 1.00 0.00 0.00 62.75 63.08 3kxp n ILE 135 Cb 0.40 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 3kxp n ILE 135 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3kxp s GLU 136 N -0.54 3.95 0.49 0.38 8.01 -1.26 -4.88 118.70 124.84 3kxp s GLU 136 Ca 0.66 2.35 0.19 0.00 0.01 0.00 0.00 54.97 58.18 3kxp s GLU 136 Cb -0.58 -2.81 1.22 0.00 -4.31 0.00 0.00 34.13 27.65 3kxp s GLU 136 CO 0.50 -0.58 2.00 1.79 0.01 0.00 0.00 175.26 178.98 3kxp h THR 137 N 2.59 0.82 -0.18 3.63 1.35 -1.99 -0.02 112.91 119.12 3kxp h THR 137 Ca -0.50 -0.06 -0.07 0.00 -0.55 0.00 0.00 66.41 65.22 3kxp h THR 137 Cb 1.25 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 3kxp h THR 137 CO 0.63 0.03 -0.22 -0.08 -0.25 0.00 0.00 175.52 175.63 3kxp h GLU 138 N 0.18 0.31 -0.05 4.72 4.81 -1.99 -0.13 114.58 122.42 3kxp h GLU 138 Ca 0.25 -0.10 -0.19 0.00 -0.13 0.00 0.00 59.36 59.18 3kxp h GLU 138 Cb 0.73 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 3kxp h GLU 138 CO -0.04 0.52 -0.79 0.00 -0.73 0.00 0.00 179.01 177.97 3kxp h ALA 139 N 1.49 0.54 -0.04 2.92 0.00 -1.34 -2.80 119.26 120.03 3kxp h ALA 139 Ca 0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 3kxp h ALA 139 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kxp h ALA 139 CO 0.04 0.79 -0.55 -0.07 0.00 0.00 0.00 179.25 179.46 3kxp h LEU 140 N 0.25 0.12 -0.58 0.00 3.38 -1.02 -2.66 115.31 114.79 3kxp h LEU 140 Ca -0.04 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3kxp h LEU 140 Cb 1.39 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3kxp h LEU 140 CO 0.13 0.64 -0.37 0.44 0.09 0.00 0.00 178.44 179.38 3kxp h ASP 141 N 0.08 0.77 -0.27 -0.43 3.32 -0.91 -1.66 116.42 117.33 3kxp h ASP 141 Ca -0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 3kxp h ASP 141 Cb 1.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3kxp h ASP 141 CO 0.08 1.06 -0.10 0.00 -1.72 0.00 0.00 179.24 178.56 3kxp h ALA 142 N 0.98 0.37 -0.09 3.45 0.00 -1.39 0.18 119.26 122.76 3kxp h ALA 142 Ca 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kxp h ALA 142 Cb 0.90 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3kxp h ALA 142 CO 0.08 0.21 -0.03 1.25 0.00 0.00 0.00 179.25 180.76 3kxp h LEU 143 N 0.28 -0.11 -1.22 0.00 6.46 -1.43 -2.28 115.31 117.01 3kxp h LEU 143 Ca 0.06 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 3kxp h LEU 143 Cb 0.59 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 3kxp h LEU 143 CO 0.03 -0.04 0.02 -0.08 -0.62 0.00 0.00 178.44 177.75 3kxp h GLU 144 N -0.01 0.56 0.00 1.25 4.81 -1.20 -2.46 114.58 117.53 3kxp h GLU 144 Ca 0.05 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3kxp h GLU 144 Cb 0.09 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kxp h GLU 144 CO -0.10 0.57 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 3kxp h ALA 145 N 1.49 1.00 -0.00 2.92 0.00 -0.23 -3.33 119.26 121.10 3kxp h ALA 145 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kxp h ALA 145 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kxp h ALA 145 CO 0.01 0.00 -0.16 2.89 0.00 0.00 0.00 179.25 181.98 3kxp n ARG 146 N -2.67 2.76 -0.03 0.00 1.85 -0.89 -4.69 116.66 112.99 3kxp n ARG 146 Ca 0.04 -0.40 0.23 0.00 -1.00 0.00 0.00 57.85 56.72 3kxp n ARG 146 Cb 0.41 -0.94 0.72 0.00 -1.05 0.00 0.00 32.46 31.60 3kxp n ARG 146 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 3kxp h VAL 147 N 0.61 0.51 0.00 8.89 -1.51 -1.56 -0.57 116.25 122.62 3kxp h VAL 147 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kxp h VAL 147 Cb 0.21 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 3kxp h VAL 147 CO 0.00 0.00 -0.45 -0.55 -1.23 0.00 0.00 177.57 175.34 3kxp h ASN 148 N 0.00 0.00 -0.99 4.19 7.08 -1.85 -3.40 115.58 120.61 3kxp h ASN 148 Ca 0.30 -0.14 0.15 0.00 -3.08 0.00 0.00 56.30 53.53 3kxp h ASN 148 Cb 1.33 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 37.41 3kxp h ASN 148 CO -0.00 0.07 -0.40 0.00 -2.08 0.00 0.00 177.43 175.02 3kxp h ALA 149 N 2.47 0.13 0.00 4.14 0.00 -1.41 0.32 119.26 124.91 3kxp h ALA 149 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kxp h ALA 149 Cb 0.77 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3kxp h ALA 149 CO 0.00 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.02 3kxp n GLY 150 N -1.46 -0.62 3.24 0.00 0.00 -1.26 -4.50 105.19 100.58 3kxp n GLY 150 Ca 0.10 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3kxp n GLY 150 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kxp n SER 151 N -1.15 4.54 -3.30 1.61 2.88 0.10 -4.65 113.62 113.66 3kxp n SER 151 Ca 0.09 -2.90 -0.14 0.00 -1.33 0.00 0.00 58.87 54.59 3kxp n SER 151 Cb 0.08 -1.71 -0.04 0.00 -0.75 0.00 0.00 64.21 61.80 3kxp n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kxp s GLN 152 N 3.69 1.89 -0.38 -1.46 -2.07 -1.26 -5.08 119.66 114.98 3kxp s GLN 152 Ca 0.51 -1.71 -0.15 0.00 -1.82 0.00 0.00 55.36 52.19 3kxp s GLN 152 Cb 0.08 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 3kxp s GLN 152 CO 0.01 -0.78 0.30 -1.17 -1.32 0.00 0.00 175.29 172.33 3kxp s LEU 153 N -3.22 4.82 -0.07 2.60 2.96 -1.26 -4.51 118.68 120.00 3kxp s LEU 153 Ca 0.30 -0.65 -0.15 0.00 -0.22 0.00 0.00 54.13 53.41 3kxp s LEU 153 Cb -0.00 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 3kxp s LEU 153 CO 0.19 -0.38 0.39 -0.36 -1.32 0.00 0.00 176.35 174.87 3kxp s PHE 154 N 1.78 3.61 0.18 5.38 0.40 0.21 -4.89 117.98 124.65 3kxp s PHE 154 Ca 0.07 0.86 -0.13 0.00 -0.60 0.00 0.00 56.93 57.13 3kxp s PHE 154 Cb -0.18 -2.35 0.18 0.00 0.51 0.00 0.00 43.02 41.18 3kxp s PHE 154 CO 0.11 0.45 1.72 1.49 0.70 0.00 0.00 175.22 179.69 3kxp h GLU 155 N 5.63 0.24 0.00 0.44 4.81 -1.88 0.39 114.58 124.21 3kxp h GLU 155 Ca -0.47 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 3kxp h GLU 155 Cb 1.20 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3kxp h GLU 155 CO 0.68 0.16 0.11 -0.40 -0.73 0.00 0.00 179.01 178.83 3kxp n ASP 156 N -5.10 -1.08 -0.34 1.04 5.75 -1.26 -4.55 116.55 111.01 3kxp n ASP 156 Ca 0.05 -1.80 0.04 0.00 -0.01 0.00 0.00 54.79 53.07 3kxp n ASP 156 Cb 0.23 1.81 0.21 0.00 -1.03 0.00 0.00 41.12 42.34 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 1.49 1.07 -0.31 2.12 6.09 -1.96 -2.06 117.51 123.94 3kxp h ILE 157 Ca -0.16 -0.38 -0.01 0.00 -1.37 0.00 0.00 64.86 62.95 3kxp h ILE 157 Cb 0.60 -0.13 -0.01 0.00 0.47 0.00 0.00 36.82 37.75 3kxp h ILE 157 CO 0.21 0.20 0.17 0.11 -3.07 0.00 0.00 178.15 175.76 3kxp h LYS 158 N 1.10 0.43 -0.94 2.19 1.57 -1.99 -0.17 116.57 118.76 3kxp h LYS 158 Ca 0.42 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.21 3kxp h LYS 158 Cb 0.21 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 3kxp h LYS 158 CO -0.17 0.37 0.60 0.00 -0.57 0.00 0.00 179.45 179.68 3kxp h ALA 159 N 1.04 1.31 -0.08 3.86 0.00 -1.81 0.18 119.26 123.76 3kxp h ALA 159 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kxp h ALA 159 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kxp h ALA 159 CO -0.02 0.36 0.03 0.28 0.00 0.00 0.00 179.25 179.91 3kxp h VAL 160 N 1.08 1.12 -0.66 0.00 2.07 -0.81 -1.63 116.25 117.42 3kxp h VAL 160 Ca 0.41 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3kxp h VAL 160 Cb 0.18 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3kxp h VAL 160 CO -0.18 0.11 0.43 -0.33 0.02 0.00 0.00 177.57 177.62 3kxp h GLU 161 N -0.01 0.84 -0.63 1.57 5.08 -0.30 -1.14 114.58 119.99 3kxp h GLU 161 Ca 0.03 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3kxp h GLU 161 Cb 0.14 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3kxp h GLU 161 CO -0.00 0.56 0.40 0.00 -1.00 0.00 0.00 179.01 178.96 3kxp h ALA 162 N 1.26 0.81 -0.36 3.43 0.00 -0.49 -0.27 119.26 123.64 3kxp h ALA 162 Ca 0.25 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3kxp h ALA 162 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kxp h ALA 162 CO -0.07 0.17 -0.19 -0.92 0.00 0.00 0.00 179.25 178.24 3kxp h TYR 163 N 0.79 0.76 -0.24 0.00 3.20 -0.80 -2.86 116.97 117.81 3kxp h TYR 163 Ca 0.25 -0.16 -0.15 0.00 3.14 0.00 0.00 58.73 61.81 3kxp h TYR 163 Cb -0.02 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3kxp h TYR 163 CO -0.04 0.82 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.80 3kxp h LEU 164 N 0.61 0.79 -1.83 2.82 3.38 -0.80 -1.47 115.31 118.81 3kxp h LEU 164 Ca 0.09 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.60 3kxp h LEU 164 Cb 0.66 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kxp h LEU 164 CO 0.05 1.17 0.27 0.00 0.09 0.00 0.00 178.44 180.02 3kxp h ALA 165 N 0.64 2.10 0.07 1.53 0.00 -1.01 0.27 119.26 122.87 3kxp h ALA 165 Ca 0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3kxp h ALA 165 Cb 1.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3kxp h ALA 165 CO 0.10 -0.18 -1.28 0.78 0.00 0.00 0.00 179.25 178.66 3kxp h GLY 166 N 0.21 0.18 1.47 0.00 0.00 -1.33 -2.67 103.07 100.93 3kxp h GLY 166 Ca 0.18 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 3kxp h GLY 166 CO -0.03 0.40 -0.66 -0.09 0.00 0.00 0.00 176.54 176.16 3kxp h ARG 167 N 0.04 0.53 -2.30 4.80 9.65 -0.13 -3.37 114.38 123.60 3kxp h ARG 167 Ca -0.14 -0.39 -0.59 0.00 -1.10 0.00 0.00 59.98 57.76 3kxp h ARG 167 Cb 1.92 0.07 -0.40 0.00 -1.39 0.00 0.00 29.97 30.17 3kxp h ARG 167 CO 0.16 1.01 -0.85 0.66 2.80 0.00 0.00 179.97 183.75 3kxp n TYR 168 N -3.90 1.20 0.30 2.20 4.02 0.85 -4.98 117.16 116.84 3kxp n TYR 168 Ca -0.04 -3.79 0.17 0.00 -0.01 0.00 0.00 57.90 54.23 3kxp n TYR 168 Cb 0.67 -0.32 0.93 0.00 -0.02 0.00 0.00 39.34 40.60 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 4.62 0.00 0.00 -0.72 0.13 -1.64 -2.38 132.00 132.01 3kxp h PRO 169 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3kxp h PRO 169 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3kxp h PRO 169 CO 0.59 0.00 -0.95 0.09 -0.23 0.00 0.00 178.00 177.50 3kxp n ASN 170 N -2.81 0.63 -4.72 1.44 3.02 -1.26 -4.89 115.26 106.67 3kxp n ASN 170 Ca -0.02 -0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 3kxp n ASN 170 Cb 0.19 0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 40.04 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 -3.16 4.29 1.06 2.41 1.01 -0.90 -4.78 121.20 121.13 3kxp s ILE 171 Ca 0.05 1.71 -0.12 0.00 0.00 0.00 0.00 60.65 62.28 3kxp s ILE 171 Cb 0.15 -4.09 0.20 0.00 0.01 0.00 0.00 42.46 38.72 3kxp s ILE 171 CO 0.79 0.17 0.92 -2.65 0.00 0.00 0.00 174.94 174.17 3kxp n PRO 172 N 3.59 -1.46 0.26 2.79 -0.02 -1.26 -4.78 135.00 134.11 3kxp n PRO 172 Ca 0.07 -0.38 -0.16 0.00 -2.02 0.00 0.00 63.50 61.00 3kxp n PRO 172 Cb 0.48 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.25 -0.61 -0.63 3.55 0.00 -1.98 -2.22 119.26 115.12 3kxp h ALA 173 Ca -0.52 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.40 3kxp h ALA 173 Cb 1.31 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3kxp h ALA 173 CO 0.44 -0.85 0.43 -0.44 0.00 0.00 0.00 179.25 178.83 3kxp h ASP 174 N -0.62 0.20 0.95 0.00 5.19 -2.00 0.20 116.42 120.35 3kxp h ASP 174 Ca -0.06 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.23 3kxp h ASP 174 Cb 0.49 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 3kxp h ASP 174 CO 0.08 0.11 -0.65 0.00 -3.12 0.00 0.00 179.24 175.66 3kxp h ALA 175 N 1.69 0.74 -0.08 3.45 0.00 -1.85 -2.51 119.26 120.70 3kxp h ALA 175 Ca 0.30 -0.59 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 3kxp h ALA 175 Cb 0.89 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kxp h ALA 175 CO -0.06 0.81 -0.84 0.82 0.00 0.00 0.00 179.25 179.98 3kxp h ILE 176 N 0.00 1.29 -0.84 0.00 1.08 -0.06 -2.65 117.51 116.33 3kxp h ILE 176 Ca -0.01 -2.06 -0.03 0.00 -0.39 0.00 0.00 64.86 62.37 3kxp h ILE 176 Cb 1.30 2.18 -0.04 0.00 -3.07 0.00 0.00 36.82 37.19 3kxp h ILE 176 CO 0.08 0.64 0.40 -0.09 -0.69 0.00 0.00 178.15 178.49 3kxp h ARG 177 N 0.41 1.22 -0.08 2.37 2.43 -1.11 0.19 114.38 119.81 3kxp h ARG 177 Ca -0.08 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3kxp h ARG 177 Cb 1.48 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3kxp h ARG 177 CO 0.17 0.94 0.05 0.82 -1.51 0.00 0.00 179.97 180.44 3kxp h ILE 178 N 1.20 1.05 -0.51 1.20 2.04 -1.44 0.64 117.51 121.69 3kxp h ILE 178 Ca 0.29 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 3kxp h ILE 178 Cb 0.13 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3kxp h ILE 178 CO -0.03 0.05 0.29 0.03 0.00 0.00 0.00 178.15 178.48 3kxp h ARG 179 N 0.07 0.70 -0.69 2.37 3.08 -1.09 -2.17 114.38 116.64 3kxp h ARG 179 Ca 0.03 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3kxp h ARG 179 Cb 0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3kxp h ARG 179 CO -0.01 0.53 0.21 0.00 -1.07 0.00 0.00 179.97 179.63 3kxp h ALA 180 N 1.13 1.07 -0.01 0.04 0.00 -0.31 -0.01 119.26 121.17 3kxp h ALA 180 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kxp h ALA 180 Cb 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kxp h ALA 180 CO -0.03 0.63 -0.20 -0.85 0.00 0.00 0.00 179.25 178.80 3kxp n GLU 181 N -4.26 0.95 -0.01 0.00 0.28 0.19 -3.85 120.64 113.94 3kxp n GLU 181 Ca 0.06 -0.54 0.01 0.00 -0.16 0.00 0.00 57.16 56.53 3kxp n GLU 181 Cb 0.22 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.58 3kxp n GLU 181 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3kxp n SER 182 N -0.55 4.19 -0.79 -1.84 3.41 -0.83 -4.69 113.62 112.52 3kxp n SER 182 Ca 0.13 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.86 3kxp n SER 182 Cb 0.34 1.01 0.12 0.00 -0.26 0.00 0.00 64.21 65.43 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 2.43 0.64 3.03 5.00 0.00 -0.03 -4.92 105.19 111.33 3kxp n GLY 183 Ca -0.02 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.13 1.18 0.09 1.61 1.51 -1.25 -0.97 117.35 117.40 3kxp s TYR 184 Ca 0.27 -0.33 0.08 0.00 -1.01 0.00 0.00 57.07 56.08 3kxp s TYR 184 Cb 0.20 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 3kxp s TYR 184 CO 0.37 -0.14 -0.17 1.14 -1.11 0.00 0.00 175.55 175.64 3kxp s GLN 185 N 0.25 1.91 0.07 -0.62 -2.07 -0.13 -4.87 119.66 114.19 3kxp s GLN 185 Ca -0.05 -1.10 -0.31 0.00 -1.82 0.00 0.00 55.36 52.08 3kxp s GLN 185 Cb -0.10 -2.16 -0.07 0.00 -1.09 0.00 0.00 33.01 29.59 3kxp s GLN 185 CO 0.01 0.50 1.40 -2.14 -1.32 0.00 0.00 175.29 173.74 3kxp s PRO 186 N -1.96 4.31 0.44 9.60 0.02 -1.26 -2.05 135.00 144.10 3kxp s PRO 186 Ca 0.17 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.26 3kxp s PRO 186 Cb -0.11 -3.39 -0.01 0.00 0.02 0.00 0.00 34.50 31.01 3kxp s PRO 186 CO 0.09 -0.49 0.13 1.55 -0.33 0.00 0.00 177.00 177.96 3kxp n VAL 187 N 4.25 0.00 -1.59 3.83 3.14 0.15 -4.95 118.33 123.16 3kxp n VAL 187 Ca 0.12 -2.49 -0.43 0.00 -2.96 0.00 0.00 64.34 58.58 3kxp n VAL 187 Cb 0.43 0.85 -0.03 0.00 -1.06 0.00 0.00 33.84 34.02 3kxp n VAL 187 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3kxp n ASP 188 N -1.47 3.17 0.00 6.55 2.03 -1.26 -1.81 116.55 123.76 3kxp n ASP 188 Ca -0.08 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3kxp n ASP 188 Cb 0.64 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 3kxp n ASP 188 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kxp n GLY 189 N 5.81 3.15 0.00 0.27 0.00 -1.26 -4.96 105.19 108.20 3kxp n GLY 189 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.43 -0.58 3.32 -0.02 0.00 -0.75 -4.84 105.19 100.89 3kxp n GLY 190 Ca 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 2.25 0.13 0.99 1.43 0.13 0.32 118.68 123.92 3kxp s LEU 191 Ca 0.00 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3kxp s LEU 191 Cb 0.00 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3kxp s LEU 191 CO 0.00 0.26 -0.13 -0.60 0.23 0.00 0.00 176.35 176.11 3kxp s ARG 192 N -0.24 1.03 0.48 1.70 6.06 -0.87 -0.62 118.95 126.49 3kxp s ARG 192 Ca -0.01 -1.29 -0.22 0.00 -2.50 0.00 0.00 55.73 51.71 3kxp s ARG 192 Cb -0.13 -0.81 -0.07 0.00 0.06 0.00 0.00 34.95 33.99 3kxp s ARG 192 CO 0.03 0.14 1.11 -2.14 -2.50 0.00 0.00 175.30 171.94 3kxp s PRO 193 N -2.97 3.72 0.17 5.12 0.02 -1.26 -0.95 135.00 138.85 3kxp s PRO 193 Ca 0.11 1.61 -0.01 0.00 0.02 0.00 0.00 61.00 62.73 3kxp s PRO 193 Cb -0.03 -2.26 0.05 0.00 0.02 0.00 0.00 34.50 32.28 3kxp s PRO 193 CO 0.02 -0.54 1.43 -0.07 -0.33 0.00 0.00 177.00 177.51 3kxp h LEU 194 N 1.79 0.45 -9.76 -5.54 3.38 -1.39 -3.45 115.31 100.79 3kxp h LEU 194 Ca -0.49 -0.30 -0.55 0.00 0.09 0.00 0.00 57.88 56.62 3kxp h LEU 194 Cb 1.24 -0.13 0.09 0.00 0.09 0.00 0.00 40.66 41.95 3kxp h LEU 194 CO 0.59 1.05 0.73 0.00 0.09 0.00 0.00 178.44 180.90 3kxp n ALA 195 N -2.51 1.96 -2.42 1.53 0.00 -1.26 -4.63 120.51 113.18 3kxp n ALA 195 Ca -0.04 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 3kxp n ALA 195 Cb 0.72 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.78 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 0.19 6.76 0.26 0.00 0.15 -0.41 -4.91 113.70 115.74 3kxp s SER 196 Ca 0.61 1.37 -0.03 0.00 0.70 0.00 0.00 55.95 58.61 3kxp s SER 196 Cb -0.54 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 61.65 3kxp s SER 196 CO 0.54 -0.98 1.84 0.77 1.20 0.00 0.00 173.24 176.61 3kxp h SER 197 N 8.95 0.84 -0.09 5.45 4.64 -1.92 -0.41 113.55 131.02 3kxp h SER 197 Ca -0.26 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 3kxp h SER 197 Cb 1.10 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3kxp h SER 197 CO 1.01 0.50 -0.09 0.00 -0.87 0.00 0.00 176.83 177.38 3kxp h ALA 198 N 1.46 1.41 0.00 5.18 0.00 -1.98 -1.35 119.26 123.98 3kxp h ALA 198 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kxp h ALA 198 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kxp h ALA 198 CO -0.22 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3kxp n ALA 199 N -2.48 2.03 0.00 0.00 0.00 -0.16 -2.37 120.51 117.53 3kxp n ALA 199 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kxp n ALA 199 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.62 0.00 0.04 0.00 0.00 -0.51 -1.08 120.51 119.58 3kxp n ALA 201 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3kxp n ALA 201 Cb 0.26 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.75 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 0.43 -0.32 0.00 4.20 -1.74 -2.47 115.11 115.21 3kxp h GLN 202 Ca 0.00 -0.33 -0.12 0.00 0.06 0.00 0.00 58.65 58.26 3kxp h GLN 202 Cb 0.00 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3kxp h GLN 202 CO 0.00 0.96 -0.27 1.15 -0.67 0.00 0.00 178.83 180.00 3kxp h THR 203 N 0.30 1.29 -0.18 -0.54 2.02 -1.27 -1.29 112.91 113.24 3kxp h THR 203 Ca -0.02 -1.43 0.01 0.00 0.77 0.00 0.00 66.41 65.73 3kxp h THR 203 Cb 1.26 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 3kxp h THR 203 CO 0.12 0.47 0.11 0.00 0.37 0.00 0.00 175.52 176.59 3kxp h ALA 204 N 0.74 0.23 -0.84 6.16 0.00 -1.80 -1.19 119.26 122.56 3kxp h ALA 204 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kxp h ALA 204 Cb 0.84 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3kxp h ALA 204 CO 0.07 -0.31 0.56 -0.09 0.00 0.00 0.00 179.25 179.48 3kxp h ARG 205 N 0.23 1.10 0.00 0.00 2.43 -1.38 -1.71 114.38 115.05 3kxp h ARG 205 Ca 0.07 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kxp h ARG 205 Cb -0.01 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 3kxp h ARG 205 CO -0.03 0.73 -0.06 0.78 -1.51 0.00 0.00 179.97 179.88 3kxp h GLY 206 N 1.14 0.00 1.67 2.80 0.00 -0.42 -2.84 103.07 105.43 3kxp h GLY 206 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3kxp h GLY 206 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 3kxp n LEU 207 N -3.23 0.00 -0.15 3.11 4.77 -0.53 -2.76 117.00 118.22 3kxp n LEU 207 Ca -0.00 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.44 3kxp n LEU 207 Cb 0.30 -0.34 0.42 0.00 -2.33 0.00 0.00 43.42 41.47 3kxp n LEU 207 CO 0.28 -0.11 0.68 0.54 -1.33 0.00 0.00 177.39 177.46 3kxp n ARG 208 N -1.34 0.58 -1.07 3.23 1.74 -1.07 -4.95 116.66 113.79 3kxp n ARG 208 Ca 0.09 -0.30 -0.32 0.00 -0.77 0.00 0.00 57.85 56.55 3kxp n ARG 208 Cb 0.18 -1.49 0.13 0.00 -1.02 0.00 0.00 32.46 30.25 3kxp n ARG 208 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kxp s SER 209 N -2.63 3.69 -0.18 0.55 1.04 -1.11 -4.91 113.70 110.15 3kxp s SER 209 Ca 0.22 2.17 -0.29 0.00 0.48 0.00 0.00 55.95 58.53 3kxp s SER 209 Cb 0.19 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 3kxp s SER 209 CO 0.55 -2.59 1.56 -0.62 0.98 0.00 0.00 173.24 173.11 3kxp s ASP 210 N -2.60 6.54 0.00 7.02 2.15 -1.26 -4.88 116.67 123.64 3kxp s ASP 210 Ca 0.68 1.74 0.24 0.00 0.43 0.00 0.00 52.55 55.65 3kxp s ASP 210 Cb -0.24 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.13 3kxp s ASP 210 CO 0.53 -1.10 1.31 -0.11 -0.17 0.00 0.00 175.17 175.63 3kxp n LEU 211 N 7.85 2.78 -0.11 -1.34 7.94 -1.26 -4.49 117.00 128.36 3kxp n LEU 211 Ca 0.17 -0.93 -0.05 0.00 -1.11 0.00 0.00 56.01 54.09 3kxp n LEU 211 Cb 0.45 -0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.42 3kxp n LEU 211 CO 0.63 0.47 0.89 0.58 -1.11 0.00 0.00 177.39 178.84 3kxp h VAL 212 N 4.33 0.78 -0.92 1.96 2.07 -1.97 -2.35 116.25 120.17 3kxp h VAL 212 Ca 0.00 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3kxp h VAL 212 Cb 0.93 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 3kxp h VAL 212 CO 0.00 0.03 0.59 -0.65 0.02 0.00 0.00 177.57 177.56 3kxp h PRO 213 N 0.18 0.90 0.49 1.57 0.11 -1.99 0.93 132.00 134.19 3kxp h PRO 213 Ca 0.19 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3kxp h PRO 213 Cb 0.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3kxp h PRO 213 CO -0.26 0.59 -0.24 0.00 -0.21 0.00 0.00 178.00 177.89 3kxp h ALA 214 N 1.54 -0.66 -0.61 -0.75 0.00 -1.73 -1.74 119.26 115.31 3kxp h ALA 214 Ca 0.43 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kxp h ALA 214 Cb 0.40 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3kxp h ALA 214 CO -0.19 -0.78 0.23 1.88 0.00 0.00 0.00 179.25 180.39 3kxp h TYR 215 N -0.84 0.91 -0.23 0.00 -1.99 -1.28 -1.79 116.97 111.74 3kxp h TYR 215 Ca -0.07 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.59 3kxp h TYR 215 Cb 0.58 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 3kxp h TYR 215 CO -0.01 0.71 0.10 -0.09 -0.00 0.00 0.00 178.16 178.87 3kxp h ARG 216 N 0.88 0.34 0.00 4.88 2.43 -0.76 -3.26 114.38 118.89 3kxp h ARG 216 Ca 0.21 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3kxp h ARG 216 Cb 0.20 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3kxp h ARG 216 CO -0.02 0.38 -0.38 -0.25 -1.51 0.00 0.00 179.97 178.19 3kxp n ASP 217 N -4.81 0.58 -4.63 -3.80 8.00 -0.66 -4.93 116.55 106.30 3kxp n ASP 217 Ca -0.03 0.20 -0.51 0.00 0.71 0.00 0.00 54.79 55.16 3kxp n ASP 217 Cb 0.12 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3kxp n ASP 217 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kxp n VAL 218 N -1.93 0.06 0.44 2.53 0.31 -0.69 -4.86 118.33 114.20 3kxp n VAL 218 Ca 0.05 -0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.45 3kxp n VAL 218 Cb 0.40 -1.09 -0.11 0.00 -0.91 0.00 0.00 33.84 32.13 3kxp n VAL 218 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3kxp n THR 219 N 3.07 0.00 -3.57 2.52 -2.24 -1.26 -4.99 114.28 107.81 3kxp n THR 219 Ca 0.19 -0.23 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 3kxp n THR 219 Cb 0.21 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.85 3.47 0.22 -0.78 -0.14 -1.26 -5.04 119.74 113.36 3kxp s LYS 220 Ca 0.01 -0.46 -0.32 0.00 -1.36 0.00 0.00 55.97 53.84 3kxp s LYS 220 Cb 0.12 -2.74 -0.13 0.00 -1.68 0.00 0.00 37.83 33.40 3kxp s LYS 220 CO 0.70 0.25 1.52 -2.30 -0.76 0.00 0.00 175.35 174.76 3kxp n PRO 221 N -1.62 2.25 -3.77 -1.68 -0.02 -1.26 -4.87 135.00 124.03 3kxp n PRO 221 Ca -0.06 0.80 -0.21 0.00 -2.02 0.00 0.00 63.50 62.02 3kxp n PRO 221 Cb 0.56 -2.53 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.38 0.15 -0.27 -1.45 1.01 -1.26 -0.65 120.40 118.31 3kxp s VAL 222 Ca 0.72 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 3kxp s VAL 222 Cb -0.62 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3kxp s VAL 222 CO 0.44 0.20 0.23 -0.22 0.00 0.00 0.00 175.10 175.75 3kxp s LEU 223 N 1.83 4.03 -0.18 3.92 2.96 -0.14 -3.86 118.68 127.25 3kxp s LEU 223 Ca 0.02 0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 53.82 3kxp s LEU 223 Cb -0.12 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 3kxp s LEU 223 CO -0.04 -0.07 0.48 -0.63 -1.32 0.00 0.00 176.35 174.77 3kxp s ILE 224 N 1.76 5.15 -0.05 6.68 1.01 -0.09 -1.17 121.20 134.48 3kxp s ILE 224 Ca 0.09 0.89 0.06 0.00 0.00 0.00 0.00 60.65 61.69 3kxp s ILE 224 Cb -0.16 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3kxp s ILE 224 CO 0.10 0.23 -0.24 -0.69 0.00 0.00 0.00 174.94 174.35 3kxp s VAL 225 N 1.31 1.94 -0.02 2.92 1.01 -0.45 -0.13 120.40 126.99 3kxp s VAL 225 Ca 0.23 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3kxp s VAL 225 Cb -0.15 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3kxp s VAL 225 CO 0.09 0.54 -0.02 -0.60 0.00 0.00 0.00 175.10 175.12 3kxp s ARG 226 N -0.14 0.34 0.18 2.72 3.52 -0.53 -0.21 118.95 124.83 3kxp s ARG 226 Ca -0.03 -0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.24 3kxp s ARG 226 Cb -0.13 -0.42 -0.09 0.00 -1.56 0.00 0.00 34.95 32.75 3kxp s ARG 226 CO 0.03 -0.04 1.32 0.20 -0.81 0.00 0.00 175.30 176.01 3kxp s GLY 227 N 0.54 2.37 0.21 8.12 0.00 -1.26 -1.22 107.32 116.09 3kxp s GLY 227 Ca -0.05 1.11 -0.12 0.00 0.00 0.00 0.00 44.72 45.65 3kxp s GLY 227 CO -0.01 2.12 1.64 -2.09 0.00 0.00 0.00 173.10 174.76 3kxp h GLU 228 N 5.64 0.04 -0.88 2.90 4.81 0.13 -1.54 114.58 125.69 3kxp h GLU 228 Ca -0.44 -0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.25 3kxp h GLU 228 Cb 1.21 -0.01 -0.28 0.00 0.63 0.00 0.00 28.75 30.30 3kxp h GLU 228 CO 0.79 0.03 0.50 -1.13 -0.73 0.00 0.00 179.01 178.47 3kxp n SER 229 N -5.37 5.14 -4.73 1.04 3.41 -0.53 -4.93 113.62 107.65 3kxp n SER 229 Ca 0.08 -3.72 -0.42 0.00 -0.26 0.00 0.00 58.87 54.56 3kxp n SER 229 Cb 0.34 -0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 -1.88 6.69 0.00 4.04 0.15 -0.58 -4.55 113.70 117.56 3kxp s SER 230 Ca 0.58 2.55 0.26 0.00 0.70 0.00 0.00 55.95 60.03 3kxp s SER 230 Cb 0.47 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.86 3kxp s SER 230 CO 0.04 -0.71 1.52 0.29 1.20 0.00 0.00 173.24 175.58 3kxp n LYS 231 N 3.24 0.83 -0.13 5.44 4.76 -1.26 -4.21 118.16 126.83 3kxp n LYS 231 Ca 0.10 -0.51 -0.26 0.00 -2.87 0.00 0.00 58.31 54.77 3kxp n LYS 231 Cb 0.40 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.00 3kxp n LYS 231 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3kxp n LEU 232 N -0.64 2.29 -4.21 -0.35 7.94 -1.26 -4.79 117.00 115.98 3kxp n LEU 232 Ca 0.12 0.20 -0.40 0.00 -1.11 0.00 0.00 56.01 54.81 3kxp n LEU 232 Cb 0.36 -0.87 -0.09 0.00 0.53 0.00 0.00 43.42 43.35 3kxp n LEU 232 CO 0.27 0.68 -0.05 -0.69 -1.11 0.00 0.00 177.39 176.48 3kxp s VAL 233 N -2.51 4.08 0.67 1.96 1.01 -1.26 -4.64 120.40 119.72 3kxp s VAL 233 Ca -0.37 -1.77 -0.13 0.00 0.00 0.00 0.00 61.98 59.71 3kxp s VAL 233 Cb 0.12 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3kxp s VAL 233 CO 0.54 -0.73 1.07 -0.94 0.00 0.00 0.00 175.10 175.05 3kxp s SER 234 N 2.48 5.28 0.47 3.32 1.04 -1.26 -4.59 113.70 120.44 3kxp s SER 234 Ca 0.06 1.78 0.16 0.00 0.48 0.00 0.00 55.95 58.43 3kxp s SER 234 Cb -0.25 -2.52 1.15 0.00 0.10 0.00 0.00 66.02 64.49 3kxp s SER 234 CO -0.01 -1.51 2.02 0.00 0.98 0.00 0.00 173.24 174.72 3kxp h ALA 235 N -0.34 2.11 -0.46 5.32 0.00 -1.92 -1.14 119.26 122.84 3kxp h ALA 235 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3kxp h ALA 235 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kxp h ALA 235 CO 0.55 -0.21 -0.11 0.00 0.00 0.00 0.00 179.25 179.49 3kxp h ALA 236 N 1.76 0.63 -0.39 0.00 0.00 -1.99 -0.61 119.26 118.67 3kxp h ALA 236 Ca 0.21 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3kxp h ALA 236 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kxp h ALA 236 CO -0.04 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.67 3kxp h ALA 237 N 0.88 1.18 -0.29 0.00 0.00 -1.52 -1.70 119.26 117.82 3kxp h ALA 237 Ca 0.12 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 3kxp h ALA 237 Cb 0.65 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kxp h ALA 237 CO 0.04 0.53 -0.54 1.25 0.00 0.00 0.00 179.25 180.53 3kxp h LEU 238 N 0.60 0.96 -0.74 0.00 5.85 -1.15 -2.09 115.31 118.74 3kxp h LEU 238 Ca 0.12 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3kxp h LEU 238 Cb 0.46 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3kxp h LEU 238 CO 0.02 1.31 0.40 0.00 -0.34 0.00 0.00 178.44 179.83 3kxp h ALA 239 N 0.71 0.95 -0.45 1.25 0.00 -0.80 0.56 119.26 121.48 3kxp h ALA 239 Ca 0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3kxp h ALA 239 Cb 1.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3kxp h ALA 239 CO 0.12 0.47 -0.10 0.87 0.00 0.00 0.00 179.25 180.61 3kxp h LYS 240 N 1.02 0.81 -0.06 0.00 1.57 -1.29 -1.85 116.57 116.77 3kxp h LYS 240 Ca 0.26 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kxp h LYS 240 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3kxp h LYS 240 CO -0.04 0.88 0.03 1.15 -0.57 0.00 0.00 179.45 180.90 3kxp h THR 241 N 0.74 1.11 0.00 -0.16 2.02 -0.62 -1.37 112.91 114.62 3kxp h THR 241 Ca 0.12 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3kxp h THR 241 Cb 0.59 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3kxp h THR 241 CO 0.04 0.09 -0.08 0.28 0.37 0.00 0.00 175.52 176.22 3kxp h SER 242 N -0.02 0.00 0.04 4.18 0.02 -0.76 0.58 113.55 117.60 3kxp h SER 242 Ca 0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.75 3kxp h SER 242 Cb 0.12 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kxp h SER 242 CO -0.00 0.08 -0.81 -0.09 -1.14 0.00 0.00 176.83 174.86 3kxp h ARG 243 N 0.00 0.63 -0.42 3.45 9.65 -0.83 0.92 114.38 127.79 3kxp h ARG 243 Ca -0.00 -0.55 -0.12 0.00 -1.10 0.00 0.00 59.98 58.21 3kxp h ARG 243 Cb 0.17 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3kxp h ARG 243 CO 0.01 1.16 -0.22 1.25 2.80 0.00 0.00 179.97 184.97 3kxp h LEU 244 N 0.41 0.92 -6.52 3.80 6.46 -0.10 -3.38 115.31 116.90 3kxp h LEU 244 Ca -0.06 -0.41 -0.59 0.00 -0.12 0.00 0.00 57.88 56.70 3kxp h LEU 244 Cb 1.43 -0.25 -0.39 0.00 -0.73 0.00 0.00 40.66 40.72 3kxp h LEU 244 CO 0.16 1.13 -0.89 -0.13 -0.62 0.00 0.00 178.44 178.08 3kxp s ARG 245 N -4.60 1.06 0.47 1.25 1.81 0.07 -4.97 118.95 114.04 3kxp s ARG 245 Ca -0.12 -2.13 0.31 0.00 -1.72 0.00 0.00 55.73 52.07 3kxp s ARG 245 Cb 0.11 -1.70 1.21 0.00 -0.45 0.00 0.00 34.95 34.12 3kxp s ARG 245 CO 0.85 -1.34 1.90 -1.00 -0.68 0.00 0.00 175.30 175.04 3kxp h PRO 246 N 5.89 0.00 -0.15 3.54 0.13 -0.99 -3.18 132.00 137.23 3kxp h PRO 246 Ca 0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.20 3kxp h PRO 246 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 3kxp h PRO 246 CO 0.40 0.00 -0.48 0.38 -0.23 0.00 0.00 178.00 178.07 3kxp h ASP 247 N 0.00 0.43 -2.75 1.44 3.04 -1.93 -3.44 116.42 113.20 3kxp h ASP 247 Ca 0.00 -0.21 -0.53 0.00 -3.24 0.00 0.00 57.03 53.05 3kxp h ASP 247 Cb 0.52 -0.12 0.03 0.00 -1.04 0.00 0.00 39.33 38.71 3kxp h ASP 247 CO 0.00 0.85 0.94 -0.76 -2.04 0.00 0.00 179.24 178.23 3kxp s LEU 248 N -8.28 4.36 0.50 0.15 1.43 -1.20 -4.97 118.68 110.67 3kxp s LEU 248 Ca -0.06 2.49 -0.22 0.00 -1.03 0.00 0.00 54.13 55.31 3kxp s LEU 248 Cb 0.12 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 3kxp s LEU 248 CO 0.81 -0.85 1.20 -2.16 0.23 0.00 0.00 176.35 175.58 3kxp s PRO 249 N 2.14 3.52 0.04 1.29 0.04 -1.25 -4.86 135.00 135.93 3kxp s PRO 249 Ca 0.72 1.84 0.06 0.00 0.04 0.00 0.00 61.00 63.66 3kxp s PRO 249 Cb -0.40 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 3kxp s PRO 249 CO 0.31 -0.76 -0.18 0.08 0.04 0.00 0.00 177.00 176.49 3kxp s VAL 250 N -1.54 1.47 -0.05 -0.36 1.01 -1.26 -0.91 120.40 118.76 3kxp s VAL 250 Ca 0.68 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3kxp s VAL 250 Cb -0.30 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3kxp s VAL 250 CO 0.36 0.13 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 3kxp s VAL 251 N -0.81 0.76 -0.25 2.92 1.01 0.81 -4.95 120.40 119.89 3kxp s VAL 251 Ca 0.05 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3kxp s VAL 251 Cb -0.08 -0.73 0.05 0.00 0.00 0.00 0.00 36.38 35.62 3kxp s VAL 251 CO 0.02 0.27 -0.12 -0.69 0.00 0.00 0.00 175.10 174.58 3kxp s VAL 252 N 0.69 2.24 -0.25 2.92 1.01 -1.26 -1.45 120.40 124.30 3kxp s VAL 252 Ca -0.11 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.13 3kxp s VAL 252 Cb -0.14 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3kxp s VAL 252 CO 0.01 0.07 0.91 -0.69 0.00 0.00 0.00 175.10 175.41 3kxp s VAL 253 N 1.15 4.76 0.24 2.92 1.01 -0.35 -4.81 120.40 125.33 3kxp s VAL 253 Ca -0.06 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 3kxp s VAL 253 Cb -0.19 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 3kxp s VAL 253 CO -0.06 -0.14 1.09 -2.84 0.00 0.00 0.00 175.10 173.15 3kxp s PRO 254 N 3.01 4.64 -0.54 2.72 0.02 -1.26 0.81 135.00 144.40 3kxp s PRO 254 Ca 0.38 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3kxp s PRO 254 Cb -0.15 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.15 3kxp s PRO 254 CO 0.08 0.19 0.00 0.41 -0.33 0.00 0.00 177.00 177.34 3kxp n GLY 255 N 1.49 0.77 3.04 0.52 0.00 -1.26 -4.91 105.19 104.83 3kxp n GLY 255 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.18 1.02 0.41 4.61 0.00 -1.24 -4.90 121.76 119.49 3kxp s ALA 256 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3kxp s ALA 256 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.76 3kxp s ALA 256 CO 0.00 0.18 0.00 -0.40 0.00 0.00 0.00 175.76 175.54 3kxp n ASP 257 N 3.21 0.00 0.02 0.00 3.85 -1.26 -1.45 116.55 120.92 3kxp n ASP 257 Ca -0.18 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.03 3kxp n ASP 257 Cb 0.54 0.00 0.58 0.00 -1.35 0.00 0.00 41.12 40.89 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 0.23 -0.73 2.11 -0.00 -1.89 -3.23 115.15 111.64 3kxp h HIS 258 Ca 0.00 0.01 -0.65 0.00 -0.00 0.00 0.00 60.37 59.73 3kxp h HIS 258 Cb 0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.25 3kxp h HIS 258 CO 0.00 0.12 2.33 0.66 -0.00 0.00 0.00 177.93 181.03 3kxp n TYR 259 N -4.46 2.21 -0.03 5.26 4.01 -1.26 -4.81 117.16 118.08 3kxp n TYR 259 Ca 0.06 -2.68 -0.10 0.00 -0.16 0.00 0.00 57.90 55.03 3kxp n TYR 259 Cb 0.35 -1.94 -0.07 0.00 -0.31 0.00 0.00 39.34 37.37 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 2.58 0.00 -0.12 -0.72 2.07 -1.92 0.21 116.25 118.35 3kxp h VAL 260 Ca 0.67 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.23 3kxp h VAL 260 Cb 0.45 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3kxp h VAL 260 CO 1.39 0.00 0.11 -0.55 0.02 0.00 0.00 177.57 178.54 3kxp h ASN 261 N -0.35 0.00 0.31 0.57 7.08 -1.87 0.28 115.58 121.59 3kxp h ASN 261 Ca 0.03 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 52.92 3kxp h ASN 261 Cb 0.44 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.65 3kxp h ASN 261 CO -0.33 0.00 -1.84 -0.33 -2.08 0.00 0.00 177.43 172.85 3kxp h GLU 262 N 0.00 0.15 0.24 4.14 5.08 -1.85 -3.26 114.58 119.08 3kxp h GLU 262 Ca 0.06 -0.25 -0.34 0.00 -1.00 0.00 0.00 59.36 57.82 3kxp h GLU 262 Cb 0.28 0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.66 3kxp h GLU 262 CO -0.00 0.89 -1.55 0.28 -1.00 0.00 0.00 179.01 177.63 3kxp h VAL 263 N 0.04 1.21 -2.16 3.13 2.07 -0.25 -3.40 116.25 116.89 3kxp h VAL 263 Ca -0.35 -2.66 -0.59 0.00 0.82 0.00 0.00 66.70 63.92 3kxp h VAL 263 Cb 2.03 2.99 -0.41 0.00 -1.52 0.00 0.00 31.29 34.37 3kxp h VAL 263 CO 0.09 0.82 -0.72 -1.20 0.02 0.00 0.00 177.57 176.58 3kxp n SER 264 N -3.69 3.05 -0.26 0.57 7.64 0.95 -4.95 113.62 116.93 3kxp n SER 264 Ca -0.19 -3.31 -0.01 0.00 1.01 0.00 0.00 58.87 56.37 3kxp n SER 264 Cb 1.10 -0.65 0.11 0.00 -1.01 0.00 0.00 64.21 63.76 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 3.98 0.77 0.43 1.43 0.13 -1.71 -2.07 132.00 134.96 3kxp h PRO 265 Ca 0.16 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 3kxp h PRO 265 Cb 0.70 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3kxp h PRO 265 CO 0.75 0.51 -0.21 0.93 -0.23 0.00 0.00 178.00 179.76 3kxp h GLU 266 N 0.79 -0.55 -0.94 0.86 4.39 -1.92 -1.93 114.58 115.28 3kxp h GLU 266 Ca 0.32 0.04 0.15 0.00 0.34 0.00 0.00 59.36 60.20 3kxp h GLU 266 Cb 0.16 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.85 3kxp h GLU 266 CO -0.17 -0.25 0.60 0.82 -1.16 0.00 0.00 179.01 178.85 3kxp h ILE 267 N -0.97 0.83 -0.41 3.13 2.04 -1.97 -0.27 117.51 119.89 3kxp h ILE 267 Ca -0.06 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3kxp h ILE 267 Cb 0.56 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3kxp h ILE 267 CO 0.10 0.14 0.04 0.74 0.00 0.00 0.00 178.15 179.16 3kxp h THR 268 N 0.77 1.25 -0.18 -0.27 2.02 -1.33 -0.14 112.91 115.03 3kxp h THR 268 Ca 0.48 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3kxp h THR 268 Cb 0.71 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3kxp h THR 268 CO -0.24 0.32 0.06 0.25 0.37 0.00 0.00 175.52 176.27 3kxp h LEU 269 N 0.54 0.27 -0.90 2.58 5.85 -0.43 -1.03 115.31 122.19 3kxp h LEU 269 Ca 0.12 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3kxp h LEU 269 Cb 0.42 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3kxp h LEU 269 CO 0.01 0.40 0.57 0.50 -0.34 0.00 0.00 178.44 179.59 3kxp h LYS 270 N 0.12 1.06 -0.69 1.25 3.11 -1.00 -0.93 116.57 119.49 3kxp h LYS 270 Ca 0.06 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 3kxp h LYS 270 Cb 0.23 -0.24 -0.03 0.00 -1.00 0.00 0.00 32.23 31.19 3kxp h LYS 270 CO -0.00 0.70 0.24 0.00 -2.81 0.00 0.00 179.45 177.58 3kxp h ALA 271 N 1.39 1.13 -0.39 5.00 0.00 -0.73 -1.29 119.26 124.37 3kxp h ALA 271 Ca 0.37 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3kxp h ALA 271 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kxp h ALA 271 CO -0.14 0.61 -0.28 0.82 0.00 0.00 0.00 179.25 180.26 3kxp h ILE 272 N 1.01 1.27 -0.06 0.00 2.04 -0.11 -2.92 117.51 118.74 3kxp h ILE 272 Ca 0.23 -1.43 -0.18 0.00 1.00 0.00 0.00 64.86 64.48 3kxp h ILE 272 Cb 0.24 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3kxp h ILE 272 CO -0.01 0.48 -0.74 0.71 0.00 0.00 0.00 178.15 178.59 3kxp h THR 273 N 0.71 1.40 0.00 -0.27 1.35 -0.98 -2.32 112.91 112.81 3kxp h THR 273 Ca 0.08 -2.20 -0.01 0.00 -0.55 0.00 0.00 66.41 63.73 3kxp h THR 273 Cb 0.83 2.16 -0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3kxp h THR 273 CO 0.07 0.66 -0.06 0.78 -0.25 0.00 0.00 175.52 176.71 3kxp h ASN 274 N 0.23 0.00 0.00 5.36 2.35 -1.18 -1.70 115.58 120.63 3kxp h ASN 274 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3kxp h ASN 274 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3kxp h ASN 274 CO 0.12 0.06 -0.08 0.15 -1.65 0.00 0.00 177.43 176.03 3kxp h PHE 275 N 0.00 0.00 0.00 1.19 -0.00 -1.32 -3.36 116.94 113.45 3kxp h PHE 275 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 57.91 3kxp h PHE 275 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.20 3kxp h PHE 275 CO 0.00 0.00 -0.27 -0.84 -0.00 0.00 0.00 178.31 177.20 3kxp h ILE 276 N -0.33 0.98 -0.22 1.41 3.07 -1.48 -3.15 117.51 117.80 3kxp h ILE 276 Ca 0.00 -0.99 0.00 0.00 1.55 0.00 0.00 64.86 65.42 3kxp h ILE 276 Cb 0.08 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.20 3kxp h ILE 276 CO 0.00 0.26 0.00 0.47 -1.05 0.00 0.00 178.15 177.83 3kxp n ASP 277 N -3.91 2.17 0.00 2.16 8.00 -0.64 -5.10 116.55 119.23 3kxp n ASP 277 Ca -0.02 -1.79 0.05 0.00 0.71 0.00 0.00 54.79 53.74 3kxp n ASP 277 Cb 0.35 -0.14 0.31 0.00 -0.02 0.00 0.00 41.12 41.61 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81