#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 3.60 -0.13 4.41 0.40 -1.26 -4.77 117.98 120.22 3kxp s PHE 12 Ca 0.00 0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 56.84 3kxp s PHE 12 Cb 0.00 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 3kxp s PHE 12 CO 0.00 0.71 0.00 -1.50 0.70 0.00 0.00 175.22 175.14 3kxp s ILE 13 N -0.97 4.28 -0.18 0.64 2.07 -0.74 -4.90 121.20 121.40 3kxp s ILE 13 Ca 0.15 -0.24 -0.04 0.00 -1.41 0.00 0.00 60.65 59.12 3kxp s ILE 13 Cb -0.12 -2.85 -0.02 0.00 0.13 0.00 0.00 42.46 39.59 3kxp s ILE 13 CO 0.04 0.54 -0.04 -0.44 -1.91 0.00 0.00 174.94 173.13 3kxp s SER 14 N -0.22 4.56 -0.03 4.50 0.01 -1.26 -0.80 113.70 120.46 3kxp s SER 14 Ca 0.05 -0.25 -0.10 0.00 1.31 0.00 0.00 55.95 56.96 3kxp s SER 14 Cb -0.12 -1.76 0.01 0.00 0.21 0.00 0.00 66.02 64.36 3kxp s SER 14 CO 0.02 0.09 0.22 0.00 0.41 0.00 0.00 173.24 173.98 3kxp s ARG 15 N 0.85 0.47 -0.26 12.44 1.70 -0.40 -4.93 118.95 128.83 3kxp s ARG 15 Ca -0.01 -0.10 -0.23 0.00 -0.47 0.00 0.00 55.73 54.92 3kxp s ARG 15 Cb -0.15 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.43 3kxp s ARG 15 CO 0.01 -0.11 0.74 1.03 -1.08 0.00 0.00 175.30 175.90 3kxp s ARG 16 N -0.88 4.10 -0.31 3.89 0.52 -1.26 -0.84 118.95 124.17 3kxp s ARG 16 Ca -0.10 0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 55.70 3kxp s ARG 16 Cb -0.05 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.72 3kxp s ARG 16 CO 0.02 -0.51 0.22 0.08 0.02 0.00 0.00 175.30 175.12 3kxp s VAL 17 N 2.73 5.28 -0.55 3.52 1.01 0.09 -4.87 120.40 127.61 3kxp s VAL 17 Ca 0.31 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 3kxp s VAL 17 Cb -0.15 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.64 3kxp s VAL 17 CO 0.09 0.10 1.15 -0.62 0.00 0.00 0.00 175.10 175.82 3kxp s ASP 18 N 1.74 6.48 -0.12 3.32 3.68 -1.26 -1.21 116.67 129.29 3kxp s ASP 18 Ca 0.06 0.14 0.14 0.00 2.13 0.00 0.00 52.55 55.03 3kxp s ASP 18 Cb -0.17 -2.54 0.61 0.00 -1.45 0.00 0.00 42.92 39.38 3kxp s ASP 18 CO 0.11 -1.39 1.48 2.30 0.13 0.00 0.00 175.17 177.80 3kxp n ILE 19 N 6.66 1.71 0.00 4.11 -5.35 0.11 -4.97 119.36 121.63 3kxp n ILE 19 Ca 0.09 -1.01 0.00 0.00 -0.27 0.00 0.00 62.75 61.56 3kxp n ILE 19 Cb 0.49 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 0.85 1.93 0.11 3.28 0.00 -1.26 -4.57 105.19 105.54 3kxp n GLY 20 Ca 0.22 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.87 3kxp n GLY 20 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kxp n ARG 21 N 0.00 0.16 0.00 1.61 1.85 -1.26 -4.88 116.66 114.14 3kxp n ARG 21 Ca 0.00 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 57.26 3kxp n ARG 21 Cb 0.00 -1.81 0.00 0.00 -1.05 0.00 0.00 32.46 29.60 3kxp n ARG 21 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 3kxp n ILE 22 N -2.12 0.00 -4.79 8.89 3.06 -1.26 -5.15 119.36 117.99 3kxp n ILE 22 Ca 0.02 0.00 -0.33 0.00 -2.50 0.00 0.00 62.75 59.94 3kxp n ILE 22 Cb 0.21 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.24 3kxp n ILE 22 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3kxp s THR 23 N -2.00 2.81 -0.10 9.51 -4.23 -1.26 -0.71 115.64 119.66 3kxp s THR 23 Ca 0.00 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 3kxp s THR 23 Cb 0.00 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 3kxp s THR 23 CO 0.00 0.53 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.66 3kxp s LEU 24 N 0.46 2.42 0.51 4.79 1.43 -0.35 -2.15 118.68 125.80 3kxp s LEU 24 Ca -0.11 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.37 3kxp s LEU 24 Cb -0.16 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.49 3kxp s LEU 24 CO 0.05 0.20 1.17 0.21 0.23 0.00 0.00 176.35 178.21 3kxp s ASN 25 N 0.11 5.84 -0.06 2.29 2.47 -1.26 -0.73 114.94 123.59 3kxp s ASN 25 Ca -0.09 2.30 -0.10 0.00 0.42 0.00 0.00 52.86 55.39 3kxp s ASN 25 Cb -0.15 -2.60 0.02 0.00 -1.45 0.00 0.00 41.25 37.07 3kxp s ASN 25 CO 0.06 -1.15 0.25 -0.69 -3.72 0.00 0.00 177.10 171.85 3kxp s VAL 26 N -1.61 0.03 -0.29 -5.21 1.01 -0.02 -2.48 120.40 111.83 3kxp s VAL 26 Ca 0.69 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 3kxp s VAL 26 Cb -0.28 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 3kxp s VAL 26 CO 0.33 -0.14 0.08 -0.13 0.00 0.00 0.00 175.10 175.24 3kxp s ARG 27 N -0.53 3.23 0.19 2.72 0.52 -0.29 -1.27 118.95 123.53 3kxp s ARG 27 Ca -0.06 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 54.48 3kxp s ARG 27 Cb -0.04 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 3kxp s ARG 27 CO 0.02 -0.39 -0.12 -2.00 0.02 0.00 0.00 175.30 172.83 3kxp s GLU 28 N 1.54 1.98 -0.30 3.54 2.12 0.02 -1.09 118.70 126.51 3kxp s GLU 28 Ca 0.04 -1.33 -0.23 0.00 0.36 0.00 0.00 54.97 53.81 3kxp s GLU 28 Cb -0.17 -2.10 0.19 0.00 0.26 0.00 0.00 34.13 32.31 3kxp s GLU 28 CO 0.03 0.42 1.36 0.21 -0.54 0.00 0.00 175.26 176.74 3kxp s LYS 29 N -2.85 0.10 0.18 4.30 2.47 -0.94 -1.80 119.74 121.19 3kxp s LYS 29 Ca 0.25 0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.78 3kxp s LYS 29 Cb -0.08 0.04 0.00 0.00 -1.46 0.00 0.00 37.83 36.33 3kxp s LYS 29 CO 0.15 -0.01 0.00 0.41 0.16 0.00 0.00 175.35 176.05 3kxp n GLY 30 N 2.06 -1.76 3.35 5.54 0.00 -1.26 -1.63 105.19 111.49 3kxp n GLY 30 Ca -0.12 -1.95 -0.11 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 -4.00 -0.33 0.00 1.61 1.04 -1.21 -4.76 113.70 106.05 3kxp s SER 31 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3kxp s SER 31 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3kxp s SER 31 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3kxp n GLY 32 N -0.07 -0.38 3.58 7.32 0.00 -1.26 -2.45 105.19 111.93 3kxp n GLY 32 Ca -0.17 -2.25 -0.49 0.00 0.00 0.00 0.00 46.02 43.11 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 -0.22 1.22 -0.33 1.61 -0.02 -1.26 -3.15 135.00 132.85 3kxp n PRO 33 Ca 0.00 0.43 -0.28 0.00 -2.02 0.00 0.00 63.50 61.63 3kxp n PRO 33 Cb 0.00 -1.94 0.27 0.00 -0.02 0.00 0.00 33.50 31.81 3kxp n PRO 33 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kxp n LEU 34 N 2.03 0.00 -3.64 2.45 7.94 -1.26 -1.52 117.00 122.99 3kxp n LEU 34 Ca 0.15 -0.87 -0.09 0.00 -1.11 0.00 0.00 56.01 54.10 3kxp n LEU 34 Cb 0.25 -0.93 -0.07 0.00 0.53 0.00 0.00 43.42 43.20 3kxp n LEU 34 CO 0.61 -2.66 0.60 -0.76 -1.11 0.00 0.00 177.39 174.07 3kxp s LEU 36 N 0.00 -0.60 -0.12 -1.96 1.43 0.25 -2.07 118.68 115.61 3kxp s LEU 36 Ca 0.63 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3kxp s LEU 36 Cb -0.10 2.06 -0.02 0.00 0.03 0.00 0.00 46.19 48.16 3kxp s LEU 36 CO 0.52 -0.18 -0.13 -0.36 0.23 0.00 0.00 176.35 176.43 3kxp s PHE 37 N 0.70 2.80 -0.11 0.29 0.40 0.34 -1.23 117.98 121.17 3kxp s PHE 37 Ca -0.02 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.77 3kxp s PHE 37 Cb -0.05 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.67 3kxp s PHE 37 CO -0.08 -0.15 -0.19 -0.06 0.70 0.00 0.00 175.22 175.43 3kxp s PHE 38 N 0.20 2.25 0.95 0.36 0.40 -0.30 -1.56 117.98 120.30 3kxp s PHE 38 Ca -0.08 -1.02 -0.14 0.00 -0.60 0.00 0.00 56.93 55.09 3kxp s PHE 38 Cb -0.15 -1.56 0.17 0.00 0.51 0.00 0.00 43.02 41.98 3kxp s PHE 38 CO 0.05 -0.47 1.18 -3.38 0.70 0.00 0.00 175.22 173.30 3kxp s HIS 39 N 0.73 2.06 0.67 0.36 -3.43 -1.26 -0.69 115.29 113.72 3kxp s HIS 39 Ca -0.11 0.67 -0.04 0.00 -0.80 0.00 0.00 55.06 54.78 3kxp s HIS 39 Cb -0.16 -3.57 0.06 0.00 -1.43 0.00 0.00 32.58 27.47 3kxp s HIS 39 CO 0.02 -2.58 0.95 0.20 -2.00 0.00 0.00 174.74 171.33 3kxp s GLY 40 N -4.27 1.73 0.30 -1.38 0.00 -1.18 -2.16 107.32 100.37 3kxp s GLY 40 Ca 0.67 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.01 3kxp s GLY 40 CO 0.53 -0.70 1.42 4.51 0.00 0.00 0.00 173.10 178.86 3kxp n ILE 41 N -2.77 1.38 -0.79 0.90 3.06 -1.26 -1.43 119.36 118.44 3kxp n ILE 41 Ca 0.08 -0.34 0.00 0.00 -2.50 0.00 0.00 62.75 59.99 3kxp n ILE 41 Cb 0.60 -1.66 0.00 0.00 0.54 0.00 0.00 39.64 39.12 3kxp n ILE 41 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3kxp n THR 42 N 1.36 0.00 -2.45 9.51 -2.24 -1.26 -4.98 114.28 114.22 3kxp n THR 42 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3kxp n THR 42 Cb 0.35 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.12 0.00 -3.91 3.42 2.88 -0.52 -4.90 113.62 110.48 3kxp n SER 43 Ca 0.00 -0.75 -0.08 0.00 -1.33 0.00 0.00 58.87 56.71 3kxp n SER 43 Cb 0.06 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.19 0.39 -3.46 2.20 -1.26 -4.42 114.94 107.20 3kxp s ASN 44 Ca 0.00 -0.74 0.13 0.00 -0.94 0.00 0.00 52.86 51.31 3kxp s ASN 44 Cb 0.00 0.67 0.95 0.00 -2.00 0.00 0.00 41.25 40.87 3kxp s ASN 44 CO 0.00 -1.27 1.86 0.77 -2.94 0.00 0.00 177.10 175.52 3kxp h SER 45 N 2.10 0.53 -0.94 3.54 4.64 -1.92 -2.99 113.55 118.52 3kxp h SER 45 Ca -0.22 0.04 0.27 0.00 -0.47 0.00 0.00 61.79 61.42 3kxp h SER 45 Cb 1.25 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 3kxp h SER 45 CO 0.28 0.24 0.69 0.00 -0.87 0.00 0.00 176.83 177.17 3kxp h ALA 46 N 1.61 2.88 0.00 5.18 0.00 -1.94 -0.39 119.26 126.59 3kxp h ALA 46 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3kxp h ALA 46 Cb 0.94 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kxp h ALA 46 CO -0.20 -1.17 0.00 1.33 0.00 0.00 0.00 179.25 179.21 3kxp n VAL 47 N -4.20 0.94 1.13 0.00 0.24 -1.13 -2.31 118.33 113.00 3kxp n VAL 47 Ca 0.20 0.46 0.12 0.00 -2.04 0.00 0.00 64.34 63.08 3kxp n VAL 47 Cb 1.02 -1.43 0.25 0.00 -1.47 0.00 0.00 33.84 32.21 3kxp n VAL 47 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3kxp n PHE 48 N -2.23 0.00 -0.23 6.34 3.01 -0.16 -4.43 117.46 119.76 3kxp n PHE 48 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kxp n PHE 48 Cb 0.14 -0.13 0.11 0.00 -0.01 0.00 0.00 39.48 39.59 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 0.94 0.60 -0.19 -1.08 5.08 -1.62 -2.43 114.58 115.88 3kxp h GLU 49 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3kxp h GLU 49 Cb 0.54 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3kxp h GLU 49 CO 0.00 0.39 0.07 -1.35 -1.00 0.00 0.00 179.01 177.12 3kxp h PRO 50 N 0.61 0.27 -0.99 2.33 0.11 -1.82 -2.16 132.00 130.35 3kxp h PRO 50 Ca 0.31 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3kxp h PRO 50 Cb 0.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3kxp h PRO 50 CO -0.23 0.23 0.01 -0.11 -0.21 0.00 0.00 178.00 177.70 3kxp n LEU 51 N -4.45 2.01 0.00 2.35 7.94 -0.91 -4.07 117.00 119.87 3kxp n LEU 51 Ca -0.00 -1.01 0.00 0.00 -1.11 0.00 0.00 56.01 53.88 3kxp n LEU 51 Cb 0.12 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 43.56 3kxp n LEU 51 CO 0.35 0.37 0.00 0.00 -1.11 0.00 0.00 177.39 177.01 3kxp n ILE 53 N 0.18 0.00 0.92 1.96 0.00 -0.81 -3.41 119.36 118.19 3kxp n ILE 53 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 62.75 62.90 3kxp n ILE 53 Cb 0.40 0.00 0.39 0.00 0.00 0.00 0.00 39.64 40.44 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 0.06 0.00 9.51 5.12 -1.26 -3.93 116.66 126.16 3kxp n ARG 54 Ca 0.00 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3kxp n ARG 54 Cb 0.00 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 29.75 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 -1.63 0.46 0.28 0.55 4.77 -1.22 -4.79 117.00 115.41 3kxp n LEU 55 Ca 0.06 -0.61 0.13 0.00 -0.03 0.00 0.00 56.01 55.56 3kxp n LEU 55 Cb 0.36 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.26 3kxp n LEU 55 CO 0.32 0.11 1.09 0.28 -1.33 0.00 0.00 177.39 177.86 3kxp h SER 56 N 0.00 0.00 0.65 -1.43 0.02 -1.74 -1.47 113.55 109.59 3kxp h SER 56 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3kxp h SER 56 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3kxp h SER 56 CO 0.00 0.02 -0.20 -2.24 -1.14 0.00 0.00 176.83 173.27 3kxp h ASP 57 N 0.00 0.00 0.00 3.07 3.04 -1.86 -3.25 116.42 117.41 3kxp h ASP 57 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3kxp h ASP 57 Cb 0.04 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.33 3kxp h ASP 57 CO 0.00 0.20 0.00 -2.11 -2.04 0.00 0.00 179.24 175.29 3kxp n ARG 58 N -3.53 0.41 -3.94 4.15 1.85 -1.04 -4.83 116.66 109.72 3kxp n ARG 58 Ca -0.01 -0.62 -0.10 0.00 -1.00 0.00 0.00 57.85 56.13 3kxp n ARG 58 Cb 0.35 -0.78 -0.11 0.00 -1.05 0.00 0.00 32.46 30.87 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 -0.24 0.18 -0.81 2.89 0.40 -0.58 -4.23 117.98 115.59 3kxp s PHE 59 Ca 0.00 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.74 3kxp s PHE 59 Cb 0.00 -0.14 0.11 0.00 0.51 0.00 0.00 43.02 43.50 3kxp s PHE 59 CO 0.00 -0.19 1.05 0.99 0.70 0.00 0.00 175.22 177.76 3kxp s THR 60 N -1.30 4.57 -0.18 0.64 2.01 -0.58 -3.33 115.64 117.48 3kxp s THR 60 Ca -0.14 -1.08 -0.26 0.00 0.31 0.00 0.00 61.69 60.52 3kxp s THR 60 Cb -0.09 -4.73 -0.01 0.00 0.01 0.00 0.00 72.50 67.68 3kxp s THR 60 CO -0.00 -1.48 0.89 0.42 -0.69 0.00 0.00 174.62 173.76 3kxp s THR 61 N 3.24 4.83 -0.09 -0.82 -4.23 -0.64 -4.44 115.64 113.49 3kxp s THR 61 Ca 0.28 1.75 -0.00 0.00 -1.18 0.00 0.00 61.69 62.53 3kxp s THR 61 Cb -0.10 -4.19 0.02 0.00 1.34 0.00 0.00 72.50 69.57 3kxp s THR 61 CO -0.01 -0.02 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.37 3kxp s ILE 62 N 2.35 0.76 -0.14 2.99 1.01 -1.26 -2.21 121.20 124.70 3kxp s ILE 62 Ca 0.40 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 3kxp s ILE 62 Cb -0.16 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3kxp s ILE 62 CO 0.12 0.31 0.12 0.00 0.00 0.00 0.00 174.94 175.49 3kxp s ALA 63 N 1.58 3.77 -0.12 9.38 0.00 -0.25 -0.51 121.76 135.62 3kxp s ALA 63 Ca 0.01 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3kxp s ALA 63 Cb -0.13 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 3kxp s ALA 63 CO -0.05 0.50 -0.17 0.08 0.00 0.00 0.00 175.76 176.13 3kxp s VAL 64 N -0.67 2.75 -0.26 0.00 1.01 -0.60 -1.14 120.40 121.49 3kxp s VAL 64 Ca 0.13 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 3kxp s VAL 64 Cb -0.12 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3kxp s VAL 64 CO 0.02 0.54 0.96 -1.81 0.00 0.00 0.00 175.10 174.81 3kxp s ASP 65 N 0.28 6.94 0.63 3.32 -0.00 -1.04 -4.33 116.67 122.47 3kxp s ASP 65 Ca -0.12 1.13 -0.10 0.00 -0.00 0.00 0.00 52.55 53.46 3kxp s ASP 65 Cb -0.16 -2.50 -0.02 0.00 -0.00 0.00 0.00 42.92 40.24 3kxp s ASP 65 CO 0.06 -0.67 1.01 -1.10 -0.00 0.00 0.00 175.17 174.48 3kxp s GLN 66 N 3.17 3.36 0.18 8.23 -0.21 -1.26 -4.37 119.66 128.76 3kxp s GLN 66 Ca 0.40 0.57 -0.32 0.00 0.02 0.00 0.00 55.36 56.04 3kxp s GLN 66 Cb -0.14 -2.11 -0.16 0.00 1.00 0.00 0.00 33.01 31.59 3kxp s GLN 66 CO 0.09 -0.66 0.94 2.89 -2.12 0.00 0.00 175.29 176.43 3kxp n ARG 67 N -2.75 0.70 0.00 2.91 1.85 -1.26 -0.65 116.66 117.46 3kxp n ARG 67 Ca 0.06 0.25 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 3kxp n ARG 67 Cb 0.55 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 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 1.79 2.72 3.79 2.89 0.00 0.08 -5.00 105.19 111.47 3kxp n GLY 68 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.08 2.60 0.00 1.61 3.76 0.18 -1.89 115.29 119.47 3kxp s HIS 69 Ca 0.00 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 3kxp s HIS 69 Cb 0.00 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.66 3kxp s HIS 69 CO 0.00 0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 3kxp n GLY 70 N -1.37 2.25 1.31 -2.22 0.00 -1.26 -1.95 105.19 101.95 3kxp n GLY 70 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3kxp n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxp n LEU 71 N 0.00 3.98 -4.94 0.99 4.77 -1.26 -4.67 117.00 115.87 3kxp n LEU 71 Ca 0.00 -2.09 -0.28 0.00 -0.03 0.00 0.00 56.01 53.61 3kxp n LEU 71 Cb 0.00 -0.48 0.15 0.00 -2.33 0.00 0.00 43.42 40.76 3kxp n LEU 71 CO 0.00 0.93 0.78 -0.44 -1.33 0.00 0.00 177.39 177.32 3kxp s SER 72 N -1.00 3.66 0.68 -1.43 0.01 -0.82 -4.38 113.70 110.43 3kxp s SER 72 Ca 0.46 0.21 -0.15 0.00 1.31 0.00 0.00 55.95 57.79 3kxp s SER 72 Cb 0.25 -0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.07 3kxp s SER 72 CO 0.29 -2.37 1.13 -1.81 0.41 0.00 0.00 173.24 170.89 3kxp s ASP 73 N -4.79 4.85 -0.45 2.44 1.01 -0.91 -4.68 116.67 114.14 3kxp s ASP 73 Ca 0.70 2.06 0.06 0.00 0.71 0.00 0.00 52.55 56.07 3kxp s ASP 73 Cb -0.05 -2.56 0.21 0.00 1.01 0.00 0.00 42.92 41.53 3kxp s ASP 73 CO 0.50 -1.80 0.46 0.29 0.21 0.00 0.00 175.17 174.82 3kxp n LYS 74 N -2.58 0.73 -1.02 8.23 5.02 -1.26 -0.74 118.16 126.54 3kxp n LYS 74 Ca 0.11 -3.44 -0.33 0.00 -2.02 0.00 0.00 58.31 52.63 3kxp n LYS 74 Cb 0.52 -1.60 0.14 0.00 -0.02 0.00 0.00 35.03 34.06 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 2.06 0.05 -0.17 1.97 -0.04 -1.26 -4.91 135.00 132.70 3kxp n PRO 75 Ca 0.26 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.89 3kxp n PRO 75 Cb 0.48 -2.41 0.37 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.10 0.68 -3.93 0.54 4.81 -2.02 -3.46 114.58 110.10 3kxp h GLU 76 Ca -0.46 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.52 3kxp h GLU 76 Cb 1.29 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 3kxp h GLU 76 CO 0.45 0.45 -0.13 -0.08 -0.73 0.00 0.00 179.01 178.97 3kxp s THR 77 N -5.63 0.00 0.00 0.32 -1.32 -1.26 -4.88 115.64 102.87 3kxp s THR 77 Ca -0.09 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 3kxp s THR 77 Cb 0.19 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 3kxp s THR 77 CO 0.77 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.79 3kxp n GLY 78 N -0.54 0.80 1.27 6.08 0.00 -1.26 -5.05 105.19 106.49 3kxp n GLY 78 Ca -0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.11 1.23 -2.32 1.61 4.02 -1.26 -4.75 117.16 115.57 3kxp n TYR 79 Ca 0.00 -1.81 -0.25 0.00 -0.01 0.00 0.00 57.90 55.83 3kxp n TYR 79 Cb 0.04 -0.29 0.06 0.00 -0.02 0.00 0.00 39.34 39.14 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 -3.36 2.24 0.37 -0.72 0.41 -1.26 -4.26 118.70 112.11 3kxp s GLU 80 Ca 0.44 -0.43 0.06 0.00 -0.41 0.00 0.00 54.97 54.63 3kxp s GLU 80 Cb 0.39 -2.25 0.76 0.00 -1.78 0.00 0.00 34.13 31.24 3kxp s GLU 80 CO -0.02 -1.13 1.97 0.00 -0.49 0.00 0.00 175.26 175.59 3kxp h ALA 81 N -0.44 1.71 -0.64 5.21 0.00 -1.97 -2.27 119.26 120.87 3kxp h ALA 81 Ca -0.43 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3kxp h ALA 81 Cb 1.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3kxp h ALA 81 CO 0.57 0.19 0.15 -0.91 0.00 0.00 0.00 179.25 179.25 3kxp h ASN 82 N 0.73 0.97 -0.30 0.00 -0.26 -1.98 -1.47 115.58 113.26 3kxp h ASN 82 Ca 0.29 -0.23 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 3kxp h ASN 82 Cb 0.23 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 3kxp h ASN 82 CO -0.09 0.95 0.13 0.44 -1.06 0.00 0.00 177.43 177.79 3kxp h ASP 83 N 0.94 0.41 -0.42 5.81 3.32 -1.72 -1.54 116.42 123.23 3kxp h ASP 83 Ca 0.20 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3kxp h ASP 83 Cb 0.36 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3kxp h ASP 83 CO 0.00 0.46 0.15 1.88 -1.72 0.00 0.00 179.24 180.02 3kxp h TYR 84 N 0.34 0.65 -0.76 4.55 -1.99 -1.39 -2.57 116.97 115.81 3kxp h TYR 84 Ca 0.10 -0.06 0.02 0.00 2.00 0.00 0.00 58.73 60.79 3kxp h TYR 84 Cb 0.17 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.67 3kxp h TYR 84 CO -0.01 0.58 0.49 0.00 -0.00 0.00 0.00 178.16 179.22 3kxp h ALA 85 N 1.00 0.97 -0.52 3.88 0.00 -1.12 -1.47 119.26 122.01 3kxp h ALA 85 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kxp h ALA 85 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kxp h ALA 85 CO -0.01 0.33 0.19 -0.44 0.00 0.00 0.00 179.25 179.32 3kxp h ASP 86 N 0.98 0.68 -0.36 0.00 3.32 -1.16 -1.85 116.42 118.04 3kxp h ASP 86 Ca 0.29 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3kxp h ASP 86 Cb -0.06 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3kxp h ASP 86 CO -0.08 0.63 0.17 0.44 -1.72 0.00 0.00 179.24 178.67 3kxp h ASP 87 N 0.74 0.23 0.19 6.45 3.45 -0.87 0.40 116.42 127.01 3kxp h ASP 87 Ca 0.18 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3kxp h ASP 87 Cb 0.17 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3kxp h ASP 87 CO -0.01 0.18 -0.16 0.40 -1.57 0.00 0.00 179.24 178.07 3kxp h ILE 88 N 0.35 0.66 -0.55 0.35 2.04 -0.82 0.10 117.51 119.63 3kxp h ILE 88 Ca 0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 3kxp h ILE 88 Cb 0.08 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3kxp h ILE 88 CO -0.12 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.25 3kxp h ALA 89 N 0.42 0.70 -0.89 1.87 0.00 -0.99 -0.92 119.26 119.44 3kxp h ALA 89 Ca -0.01 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3kxp h ALA 89 Cb 0.33 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3kxp h ALA 89 CO -0.02 -0.17 0.58 0.78 0.00 0.00 0.00 179.25 180.43 3kxp h GLY 90 N 0.42 1.29 0.71 0.00 0.00 0.33 -1.83 103.07 103.99 3kxp h GLY 90 Ca 0.26 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3kxp h GLY 90 CO -0.25 0.31 -0.15 -2.00 0.00 0.00 0.00 176.54 174.45 3kxp h LEU 91 N 1.03 0.34 -1.41 3.11 6.46 0.26 -1.87 115.31 123.23 3kxp h LEU 91 Ca 0.38 -0.51 0.08 0.00 -0.12 0.00 0.00 57.88 57.72 3kxp h LEU 91 Cb 0.18 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.96 3kxp h LEU 91 CO -0.14 0.78 0.48 0.40 -0.62 0.00 0.00 178.44 179.34 3kxp h ILE 92 N -0.09 0.97 -0.03 4.05 2.04 -0.90 0.11 117.51 123.66 3kxp h ILE 92 Ca 0.01 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3kxp h ILE 92 Cb 0.70 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3kxp h ILE 92 CO 0.04 0.12 -0.09 0.03 0.00 0.00 0.00 178.15 178.25 3kxp h ARG 93 N 0.68 0.12 -0.07 2.37 3.08 -1.28 -2.91 114.38 116.37 3kxp h ARG 93 Ca 0.33 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 3kxp h ARG 93 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3kxp h ARG 93 CO -0.11 0.70 -0.12 1.15 -1.07 0.00 0.00 179.97 180.52 3kxp h THR 94 N -0.45 1.13 0.00 2.04 2.02 -0.76 -2.53 112.91 114.36 3kxp h THR 94 Ca -0.00 -0.58 -0.11 0.00 0.77 0.00 0.00 66.41 66.49 3kxp h THR 94 Cb 0.71 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3kxp h THR 94 CO 0.02 0.18 -0.52 -0.07 0.37 0.00 0.00 175.52 175.49 3kxp h LEU 95 N 0.10 0.00 -1.56 2.58 3.38 -0.85 -3.48 115.31 115.48 3kxp h LEU 95 Ca 0.02 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.44 3kxp h LEU 95 Cb 0.28 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.87 3kxp h LEU 95 CO 0.02 0.52 -0.88 0.00 0.09 0.00 0.00 178.44 178.19 3kxp n ALA 96 N -2.23 -1.65 -1.79 1.53 0.00 -0.96 -4.87 120.51 110.53 3kxp n ALA 96 Ca 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 3kxp n ALA 96 Cb 0.74 -2.27 0.10 0.00 0.00 0.00 0.00 19.45 18.02 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 -4.40 2.72 0.00 0.00 1.74 -1.26 -5.09 116.66 110.37 3kxp n ARG 97 Ca -0.13 -3.75 0.00 0.00 -0.77 0.00 0.00 57.85 53.21 3kxp n ARG 97 Cb 0.59 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 -0.90 -1.22 3.58 -0.13 0.00 -1.26 -4.39 105.19 100.87 3kxp n GLY 98 Ca 0.35 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.99 -0.00 -4.51 1.61 1.44 -1.26 -4.90 115.22 106.61 3kxp n HIS 99 Ca 0.00 0.22 -0.26 0.00 -2.01 0.00 0.00 57.72 55.67 3kxp n HIS 99 Cb 0.00 -1.88 -0.13 0.00 0.12 0.00 0.00 29.99 28.09 3kxp n HIS 99 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kxp s ALA 100 N -2.54 1.88 -0.05 1.59 0.00 -0.47 -4.36 121.76 117.81 3kxp s ALA 100 Ca 0.66 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 3kxp s ALA 100 Cb -0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 3kxp s ALA 100 CO 0.61 0.41 0.55 0.42 0.00 0.00 0.00 175.76 177.75 3kxp s ILE 101 N -0.96 5.03 -0.21 0.00 1.01 -0.88 -1.25 121.20 123.95 3kxp s ILE 101 Ca 0.08 1.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.83 3kxp s ILE 101 Cb -0.09 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3kxp s ILE 101 CO 0.03 0.38 -0.06 -0.76 0.00 0.00 0.00 174.94 174.53 3kxp s LEU 102 N 0.12 2.81 -0.24 2.97 1.02 0.29 -0.59 118.68 125.06 3kxp s LEU 102 Ca 0.29 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 54.04 3kxp s LEU 102 Cb -0.17 -1.71 0.04 0.00 0.02 0.00 0.00 46.19 44.38 3kxp s LEU 102 CO 0.14 -0.01 -0.12 0.54 0.02 0.00 0.00 176.35 176.93 3kxp s VAL 103 N 1.41 2.29 0.11 -1.59 0.11 -0.36 0.11 120.40 122.48 3kxp s VAL 103 Ca 0.05 -1.36 0.07 0.00 -2.93 0.00 0.00 61.98 57.81 3kxp s VAL 103 Cb -0.14 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 3kxp s VAL 103 CO -0.04 0.14 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.87 3kxp s GLY 104 N 1.19 1.14 -0.20 6.54 0.00 -0.67 -1.15 107.32 114.17 3kxp s GLY 104 Ca -0.04 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 43.43 3kxp s GLY 104 CO -0.07 -1.26 -0.11 -1.58 0.00 0.00 0.00 173.10 170.08 3kxp s HIS 105 N -1.53 2.87 0.00 1.90 2.46 0.13 -0.19 115.29 120.94 3kxp s HIS 105 Ca 0.06 -1.17 0.00 0.00 0.47 0.00 0.00 55.06 54.42 3kxp s HIS 105 Cb -0.08 -2.01 0.00 0.00 -0.13 0.00 0.00 32.58 30.36 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 4.61 0.00 -0.26 9.88 2.88 0.10 -1.17 113.62 129.66 3kxp n SER 106 Ca -0.19 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.42 3kxp n SER 106 Cb 0.51 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.16 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 -0.03 -1.15 2.46 5.85 -1.90 0.27 115.31 120.81 3kxp h LEU 107 Ca 0.00 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3kxp h LEU 107 Cb 0.00 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3kxp h LEU 107 CO 0.00 -0.07 0.14 1.23 -0.34 0.00 0.00 178.44 179.40 3kxp h GLY 108 N 0.24 0.79 0.98 3.75 0.00 -0.62 -0.43 103.07 107.78 3kxp h GLY 108 Ca 0.44 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3kxp h GLY 108 CO -0.55 0.40 -0.13 0.00 0.00 0.00 0.00 176.54 176.26 3kxp h ALA 109 N 1.44 0.53 -0.34 3.60 0.00 -0.65 -1.61 119.26 122.23 3kxp h ALA 109 Ca 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kxp h ALA 109 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kxp h ALA 109 CO -0.01 0.43 0.13 -0.09 0.00 0.00 0.00 179.25 179.71 3kxp h ARG 110 N 0.56 0.51 -0.94 0.00 1.12 -0.51 -2.50 114.38 112.62 3kxp h ARG 110 Ca 0.09 -0.10 0.03 0.00 -1.11 0.00 0.00 59.98 58.89 3kxp h ARG 110 Cb 0.66 -0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.49 3kxp h ARG 110 CO 0.05 0.51 0.61 -0.91 -3.11 0.00 0.00 179.97 177.12 3kxp h ASN 111 N 0.39 1.03 0.29 -3.80 2.35 -1.00 -2.60 115.58 112.24 3kxp h ASN 111 Ca 0.11 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3kxp h ASN 111 Cb 0.20 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3kxp h ASN 111 CO -0.01 0.72 -0.14 0.28 -1.65 0.00 0.00 177.43 176.63 3kxp h SER 112 N 1.20 -0.33 -0.53 5.81 0.02 -1.02 -0.32 113.55 118.38 3kxp h SER 112 Ca 0.37 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3kxp h SER 112 Cb -0.03 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3kxp h SER 112 CO -0.11 -0.07 0.34 0.58 -1.14 0.00 0.00 176.83 176.43 3kxp h VAL 113 N -0.59 1.14 -0.15 2.27 2.07 -1.46 0.33 116.25 119.86 3kxp h VAL 113 Ca -0.04 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3kxp h VAL 113 Cb 0.43 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3kxp h VAL 113 CO 0.07 0.14 0.04 0.74 0.02 0.00 0.00 177.57 178.57 3kxp h THR 114 N 0.73 1.20 -0.59 2.57 2.02 -1.32 -0.86 112.91 116.65 3kxp h THR 114 Ca 0.19 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3kxp h THR 114 Cb -0.07 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3kxp h THR 114 CO -0.04 0.19 0.29 0.00 0.37 0.00 0.00 175.52 176.33 3kxp h ALA 115 N 0.84 0.76 -0.47 6.16 0.00 -0.26 -1.77 119.26 124.52 3kxp h ALA 115 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kxp h ALA 115 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kxp h ALA 115 CO 0.00 0.31 0.12 0.00 0.00 0.00 0.00 179.25 179.68 3kxp h ALA 116 N 1.12 1.33 0.00 0.00 0.00 -0.25 0.44 119.26 121.90 3kxp h ALA 116 Ca 0.20 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3kxp h ALA 116 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kxp h ALA 116 CO -0.03 0.48 -0.76 0.00 0.00 0.00 0.00 179.25 178.94 3kxp h ALA 117 N 1.45 0.72 0.09 0.00 0.00 -0.87 -3.07 119.26 117.58 3kxp h ALA 117 Ca 0.16 -0.69 -0.32 0.00 0.00 0.00 0.00 54.91 54.06 3kxp h ALA 117 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kxp h ALA 117 CO -0.00 0.95 -1.71 -0.22 0.00 0.00 0.00 179.25 178.27 3kxp h LYS 118 N 0.00 0.19 -2.12 0.00 3.64 -0.85 -3.41 116.57 114.02 3kxp h LYS 118 Ca -0.01 -0.33 -0.58 0.00 -1.27 0.00 0.00 60.65 58.46 3kxp h LYS 118 Cb 1.36 0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 32.90 3kxp h LYS 118 CO 0.10 0.99 -0.80 0.66 -2.27 0.00 0.00 179.45 178.13 3kxp n TYR 119 N -3.36 2.04 0.10 1.91 4.02 0.15 -4.95 117.16 117.07 3kxp n TYR 119 Ca -0.21 -3.92 0.18 0.00 -0.01 0.00 0.00 57.90 53.94 3kxp n TYR 119 Cb 1.05 -0.47 0.73 0.00 -0.02 0.00 0.00 39.34 40.62 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 4.12 0.00 -0.03 -0.72 0.13 -1.74 -2.32 132.00 131.44 3kxp h PRO 120 Ca 0.15 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.11 3kxp h PRO 120 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3kxp h PRO 120 CO 0.69 0.00 -0.74 -0.44 -0.23 0.00 0.00 178.00 177.28 3kxp h ASP 121 N 0.00 0.23 1.21 1.44 3.45 -1.92 -3.13 116.42 117.69 3kxp h ASP 121 Ca 0.17 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3kxp h ASP 121 Cb 0.75 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3kxp h ASP 121 CO -0.00 0.89 -0.16 0.18 -1.57 0.00 0.00 179.24 178.57 3kxp n LEU 122 N -3.75 0.63 -4.32 1.55 4.77 -0.88 -4.72 117.00 110.27 3kxp n LEU 122 Ca -0.03 0.46 -0.34 0.00 -0.03 0.00 0.00 56.01 56.07 3kxp n LEU 122 Cb 0.71 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 3kxp n LEU 122 CO 0.46 -0.11 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.29 3kxp s VAL 123 N -3.09 3.06 -0.11 4.08 1.01 -1.17 -1.37 120.40 122.81 3kxp s VAL 123 Ca 0.10 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 3kxp s VAL 123 Cb 0.14 -2.33 -0.14 0.00 0.00 0.00 0.00 36.38 34.05 3kxp s VAL 123 CO 0.62 0.49 0.50 -0.09 0.00 0.00 0.00 175.10 176.62 3kxp h ARG 124 N 7.33 -0.04 -3.00 2.72 2.43 -1.45 -3.46 114.38 118.91 3kxp h ARG 124 Ca -0.33 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.86 3kxp h ARG 124 Cb 1.19 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3kxp h ARG 124 CO 0.58 0.49 0.25 -1.54 -1.51 0.00 0.00 179.97 178.24 3kxp s SER 125 N -5.84 -0.12 -0.03 -3.80 1.04 -1.25 -4.17 113.70 99.53 3kxp s SER 125 Ca -0.11 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 3kxp s SER 125 Cb -0.01 0.79 0.02 0.00 0.10 0.00 0.00 66.02 66.92 3kxp s SER 125 CO 0.39 -1.53 0.08 -0.69 0.98 0.00 0.00 173.24 172.47 3kxp s VAL 126 N -3.08 -0.03 -0.44 5.02 1.01 -0.24 -0.55 120.40 122.09 3kxp s VAL 126 Ca 0.13 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 3kxp s VAL 126 Cb -0.06 -0.13 0.11 0.00 0.00 0.00 0.00 36.38 36.30 3kxp s VAL 126 CO 0.09 0.05 0.29 -0.69 0.00 0.00 0.00 175.10 174.83 3kxp s VAL 127 N 0.64 3.97 -0.60 2.92 1.01 0.12 0.22 120.40 128.67 3kxp s VAL 127 Ca -0.05 -1.75 -0.21 0.00 0.00 0.00 0.00 61.98 59.97 3kxp s VAL 127 Cb -0.07 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.80 3kxp s VAL 127 CO -0.02 -0.68 0.83 0.00 0.00 0.00 0.00 175.10 175.22 3kxp s ALA 128 N 1.32 3.26 -0.43 5.51 0.00 0.69 -1.68 121.76 130.43 3kxp s ALA 128 Ca 0.05 -1.89 -0.21 0.00 0.00 0.00 0.00 51.96 49.91 3kxp s ALA 128 Cb -0.25 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.23 3kxp s ALA 128 CO -0.01 -2.48 0.68 0.42 0.00 0.00 0.00 175.76 174.37 3kxp s ILE 129 N 3.39 4.79 -1.11 0.00 1.01 0.73 -1.88 121.20 128.13 3kxp s ILE 129 Ca 0.18 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.91 3kxp s ILE 129 Cb -0.19 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 3kxp s ILE 129 CO 0.10 -0.60 0.81 -0.67 0.00 0.00 0.00 174.94 174.59 3kxp n ASP 130 N 6.36 -5.60 -3.15 3.58 2.03 0.73 0.02 116.55 120.52 3kxp n ASP 130 Ca -0.01 -0.95 0.05 0.00 0.52 0.00 0.00 54.79 54.40 3kxp n ASP 130 Cb 0.48 -3.67 -0.01 0.00 -0.72 0.00 0.00 41.12 37.20 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 -3.43 -0.84 0.42 -0.67 2.19 -1.26 -3.96 117.98 110.42 3kxp s PHE 131 Ca 0.46 0.76 0.03 0.00 0.33 0.00 0.00 56.93 58.51 3kxp s PHE 131 Cb -0.15 0.25 -0.01 0.00 -1.31 0.00 0.00 43.02 41.80 3kxp s PHE 131 CO 0.84 -0.47 0.10 0.25 1.83 0.00 0.00 175.22 177.78 3kxp n THR 132 N 5.39 0.00 -1.96 0.12 -2.24 -1.26 -4.64 114.28 109.68 3kxp n THR 132 Ca -0.02 -2.28 -0.30 0.00 -2.27 0.00 0.00 64.05 59.19 3kxp n THR 132 Cb 0.54 0.72 0.20 0.00 -2.10 0.00 0.00 70.33 69.69 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 -3.56 0.49 -1.19 -0.78 0.02 -1.26 -4.28 135.00 124.44 3kxp s PRO 133 Ca 0.15 -0.52 0.00 0.00 0.02 0.00 0.00 61.00 60.65 3kxp s PRO 133 Cb 0.01 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.68 3kxp s PRO 133 CO 0.10 -2.50 0.00 0.66 -0.33 0.00 0.00 177.00 174.94 3kxp n TYR 134 N -3.80 0.00 -2.17 6.54 4.02 -1.26 -4.80 117.16 115.69 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 -2.25 -0.03 0.00 -0.02 0.00 0.00 39.34 37.63 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 -2.30 3.39 0.47 -0.72 1.01 -1.26 -4.61 121.20 117.18 3kxp s ILE 135 Ca 0.00 0.95 -0.23 0.00 0.00 0.00 0.00 60.65 61.37 3kxp s ILE 135 Cb 0.00 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 3kxp s ILE 135 CO 0.00 0.05 1.24 -1.83 0.00 0.00 0.00 174.94 174.40 3kxp s GLU 136 N 1.51 3.63 0.26 2.79 1.03 -1.26 -4.85 118.70 121.80 3kxp s GLU 136 Ca 0.65 1.97 -0.03 0.00 0.03 0.00 0.00 54.97 57.58 3kxp s GLU 136 Cb -0.36 -2.43 0.54 0.00 -0.80 0.00 0.00 34.13 31.08 3kxp s GLU 136 CO 0.29 -0.71 1.66 1.15 -1.33 0.00 0.00 175.26 176.33 3kxp h THR 137 N 1.87 0.42 -0.97 1.83 2.02 -1.99 0.26 112.91 116.35 3kxp h THR 137 Ca -0.50 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 66.72 3kxp h THR 137 Cb 1.26 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 3kxp h THR 137 CO 0.60 0.04 0.60 -0.33 0.37 0.00 0.00 175.52 176.80 3kxp h GLU 138 N 0.22 0.95 -0.30 6.66 3.07 -1.99 0.51 114.58 123.70 3kxp h GLU 138 Ca 0.46 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 59.11 3kxp h GLU 138 Cb 0.84 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3kxp h GLU 138 CO -0.59 0.63 -0.41 0.00 -1.40 0.00 0.00 179.01 177.24 3kxp h ALA 139 N 1.51 0.46 -0.11 3.43 0.00 -1.29 -1.89 119.26 121.36 3kxp h ALA 139 Ca 0.47 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3kxp h ALA 139 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kxp h ALA 139 CO -0.25 0.57 -0.46 -0.07 0.00 0.00 0.00 179.25 179.03 3kxp h LEU 140 N 0.57 0.30 -0.50 0.00 3.38 -0.58 -1.25 115.31 117.24 3kxp h LEU 140 Ca 0.03 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3kxp h LEU 140 Cb 1.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3kxp h LEU 140 CO 0.10 0.73 0.13 0.44 0.09 0.00 0.00 178.44 179.92 3kxp h ASP 141 N 0.23 0.75 -0.40 -0.43 3.32 0.12 -0.80 116.42 119.21 3kxp h ASP 141 Ca 0.01 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 3kxp h ASP 141 Cb 0.91 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3kxp h ASP 141 CO 0.07 0.78 -0.14 0.00 -1.72 0.00 0.00 179.24 178.23 3kxp h ALA 142 N 1.00 0.87 -0.32 3.45 0.00 -1.10 0.53 119.26 123.70 3kxp h ALA 142 Ca 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kxp h ALA 142 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kxp h ALA 142 CO -0.00 0.64 0.10 1.25 0.00 0.00 0.00 179.25 181.24 3kxp h LEU 143 N 0.78 0.46 -0.36 0.00 6.46 -1.06 0.82 115.31 122.41 3kxp h LEU 143 Ca 0.12 -0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.69 3kxp h LEU 143 Cb 0.67 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 3kxp h LEU 143 CO 0.05 0.53 0.22 -0.08 -0.62 0.00 0.00 178.44 178.54 3kxp h GLU 144 N 0.35 0.43 -0.09 1.25 4.81 -0.87 -0.04 114.58 120.43 3kxp h GLU 144 Ca 0.10 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kxp h GLU 144 Cb 0.24 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3kxp h GLU 144 CO -0.00 0.28 0.04 0.00 -0.73 0.00 0.00 179.01 178.60 3kxp h ALA 145 N 1.15 0.11 -0.14 2.92 0.00 -0.71 -2.37 119.26 120.22 3kxp h ALA 145 Ca 0.14 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kxp h ALA 145 Cb -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3kxp h ALA 145 CO -0.05 -0.33 -0.22 -0.09 0.00 0.00 0.00 179.25 178.56 3kxp h ARG 146 N 0.02 -0.26 -0.94 0.00 2.43 -0.53 -2.25 114.38 112.85 3kxp h ARG 146 Ca 0.03 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 3kxp h ARG 146 Cb 0.11 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 3kxp h ARG 146 CO -0.00 -0.17 0.57 0.28 -1.51 0.00 0.00 179.97 179.13 3kxp h VAL 147 N -0.27 0.89 0.00 0.20 2.07 -0.89 -1.81 116.25 116.44 3kxp h VAL 147 Ca 0.10 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kxp h VAL 147 Cb 0.42 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kxp h VAL 147 CO -0.30 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.05 3kxp n ASN 148 N -4.68 0.11 -2.15 0.57 4.13 -0.89 -3.27 115.26 109.08 3kxp n ASN 148 Ca 0.18 0.51 -0.23 0.00 1.68 0.00 0.00 54.58 56.72 3kxp n ASN 148 Cb 0.35 -0.54 0.18 0.00 -1.54 0.00 0.00 39.78 38.23 3kxp n ASN 148 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kxp n ALA 149 N -1.54 5.53 0.00 5.41 0.00 -0.68 -4.49 120.51 124.73 3kxp n ALA 149 Ca 0.06 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.56 3kxp n ALA 149 Cb 0.30 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3kxp n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxp n GLY 150 N -1.14 0.00 3.55 0.00 0.00 -1.20 -4.99 105.19 101.40 3kxp n GLY 150 Ca 0.58 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.23 3kxp n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kxp s SER 151 N -1.91 4.87 0.00 1.61 0.15 -1.26 -4.89 113.70 112.27 3kxp s SER 151 Ca 0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3kxp s SER 151 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3kxp s SER 151 CO 0.00 -2.64 0.00 0.00 1.20 0.00 0.00 173.24 171.80 3kxp n GLN 152 N 9.10 0.05 -3.90 5.44 10.64 -1.26 -5.06 117.38 132.38 3kxp n GLN 152 Ca 0.28 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 55.16 3kxp n GLN 152 Cb 0.53 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.75 3kxp n GLN 152 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3kxp s LEU 153 N 0.00 1.96 0.20 2.61 2.96 -1.26 -4.06 118.68 121.09 3kxp s LEU 153 Ca 0.00 -0.87 0.05 0.00 -0.22 0.00 0.00 54.13 53.09 3kxp s LEU 153 Cb 0.00 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 3kxp s LEU 153 CO 0.00 -0.21 0.24 -0.36 -1.32 0.00 0.00 176.35 174.70 3kxp s PHE 154 N 1.55 3.28 -0.05 5.38 0.40 0.49 -4.90 117.98 124.13 3kxp s PHE 154 Ca -0.02 -0.01 -0.26 0.00 -0.60 0.00 0.00 56.93 56.04 3kxp s PHE 154 Cb -0.17 -1.53 -0.22 0.00 0.51 0.00 0.00 43.02 41.62 3kxp s PHE 154 CO -0.07 0.50 1.13 1.49 0.70 0.00 0.00 175.22 178.96 3kxp h GLU 155 N 1.83 0.07 0.00 0.44 4.81 -1.86 0.30 114.58 120.17 3kxp h GLU 155 Ca -0.49 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 58.45 3kxp h GLU 155 Cb 1.22 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 3kxp h GLU 155 CO 0.63 0.70 -0.12 -0.40 -0.73 0.00 0.00 179.01 179.10 3kxp n ASP 156 N -4.71 -1.20 -0.27 1.04 5.68 -1.26 -4.40 116.55 111.44 3kxp n ASP 156 Ca -0.09 -2.63 -0.06 0.00 -0.50 0.00 0.00 54.79 51.51 3kxp n ASP 156 Cb 0.36 2.23 0.06 0.00 -1.14 0.00 0.00 41.12 42.62 3kxp n ASP 156 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3kxp h ILE 157 N 1.88 1.24 -0.86 2.12 6.09 -1.96 -2.64 117.51 123.37 3kxp h ILE 157 Ca -0.24 -0.69 0.09 0.00 -1.37 0.00 0.00 64.86 62.66 3kxp h ILE 157 Cb 1.03 0.33 -0.06 0.00 0.47 0.00 0.00 36.82 38.59 3kxp h ILE 157 CO 0.32 0.29 0.56 0.11 -3.07 0.00 0.00 178.15 176.35 3kxp h LYS 158 N 1.04 0.82 -0.32 2.19 1.57 -1.99 0.13 116.57 120.01 3kxp h LYS 158 Ca 0.25 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 3kxp h LYS 158 Cb 0.13 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3kxp h LYS 158 CO -0.03 0.54 -0.36 0.00 -0.57 0.00 0.00 179.45 179.02 3kxp h ALA 159 N 1.57 0.47 -0.30 3.86 0.00 -1.90 -1.74 119.26 121.22 3kxp h ALA 159 Ca 0.40 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kxp h ALA 159 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kxp h ALA 159 CO -0.16 0.55 0.13 0.28 0.00 0.00 0.00 179.25 180.05 3kxp h VAL 160 N 0.58 1.16 -0.45 0.00 2.07 -0.95 -0.59 116.25 118.07 3kxp h VAL 160 Ca 0.04 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3kxp h VAL 160 Cb 0.95 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3kxp h VAL 160 CO 0.09 0.17 0.22 -0.33 0.02 0.00 0.00 177.57 177.73 3kxp h GLU 161 N 0.34 0.42 -0.56 1.57 5.08 -0.72 -0.88 114.58 119.83 3kxp h GLU 161 Ca 0.10 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3kxp h GLU 161 Cb 0.15 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3kxp h GLU 161 CO -0.01 0.28 0.12 0.00 -1.00 0.00 0.00 179.01 178.39 3kxp h ALA 162 N 1.25 1.16 0.10 3.43 0.00 -1.08 -2.19 119.26 121.93 3kxp h ALA 162 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kxp h ALA 162 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kxp h ALA 162 CO -0.15 0.57 -0.05 -0.92 0.00 0.00 0.00 179.25 178.69 3kxp h TYR 163 N 0.83 -0.13 -0.20 0.00 3.20 -0.47 -3.13 116.97 117.08 3kxp h TYR 163 Ca 0.18 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3kxp h TYR 163 Cb 0.33 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3kxp h TYR 163 CO 0.02 0.16 0.08 -0.07 -1.64 0.00 0.00 178.16 176.72 3kxp h LEU 164 N -0.42 0.24 -0.95 2.82 3.38 -1.11 -1.92 115.31 117.36 3kxp h LEU 164 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kxp h LEU 164 Cb 0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3kxp h LEU 164 CO 0.02 0.22 0.41 0.00 0.09 0.00 0.00 178.44 179.18 3kxp h ALA 165 N 1.82 1.18 0.00 1.53 0.00 -1.35 0.68 119.26 123.13 3kxp h ALA 165 Ca 0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3kxp h ALA 165 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kxp h ALA 165 CO -0.01 0.63 -0.62 0.78 0.00 0.00 0.00 179.25 180.04 3kxp h GLY 166 N 1.18 0.00 2.00 0.00 0.00 -1.35 -2.65 103.07 102.24 3kxp h GLY 166 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 3kxp h GLY 166 CO -0.04 0.00 -0.58 -0.09 0.00 0.00 0.00 176.54 175.83 3kxp h ARG 167 N 0.00 0.00 -2.07 4.80 2.43 -0.92 -3.35 114.38 115.28 3kxp h ARG 167 Ca -0.01 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.61 3kxp h ARG 167 Cb 1.44 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.59 3kxp h ARG 167 CO 0.08 0.58 -0.98 0.66 -1.51 0.00 0.00 179.97 178.80 3kxp n TYR 168 N -3.35 0.98 -0.40 2.20 4.02 0.19 -5.00 117.16 115.81 3kxp n TYR 168 Ca 0.01 -3.78 0.32 0.00 -0.01 0.00 0.00 57.90 54.44 3kxp n TYR 168 Cb 0.72 -0.42 0.61 0.00 -0.02 0.00 0.00 39.34 40.23 3kxp n TYR 168 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kxp h PRO 169 N 3.73 0.18 0.00 -0.72 0.13 -1.62 -1.92 132.00 131.78 3kxp h PRO 169 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kxp h PRO 169 Cb 0.82 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3kxp h PRO 169 CO 0.58 0.12 -0.58 0.09 -0.23 0.00 0.00 178.00 177.98 3kxp n ASN 170 N -4.59 0.56 -4.70 1.44 3.02 -1.26 -4.88 115.26 104.84 3kxp n ASN 170 Ca 0.32 -0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 3kxp n ASN 170 Cb 1.23 0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 40.65 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 -3.06 4.13 0.53 2.41 1.01 -0.72 -4.78 121.20 120.71 3kxp s ILE 171 Ca 0.09 1.51 -0.21 0.00 0.00 0.00 0.00 60.65 62.04 3kxp s ILE 171 Cb 0.16 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 3kxp s ILE 171 CO 0.71 0.08 1.16 -2.65 0.00 0.00 0.00 174.94 174.24 3kxp n PRO 172 N 4.33 1.38 -0.28 2.79 -0.02 -1.26 -4.71 135.00 137.22 3kxp n PRO 172 Ca 0.09 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 3kxp n PRO 172 Cb 0.46 -2.33 0.24 0.00 -0.02 0.00 0.00 33.50 31.86 3kxp n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kxp h ALA 173 N 1.17 1.19 -0.77 3.55 0.00 -1.97 0.39 119.26 122.82 3kxp h ALA 173 Ca -0.49 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3kxp h ALA 173 Cb 1.33 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 3kxp h ALA 173 CO 0.55 -0.35 0.46 0.38 0.00 0.00 0.00 179.25 180.29 3kxp h ASP 174 N 0.32 0.92 -0.21 0.00 3.04 -2.00 0.17 116.42 118.67 3kxp h ASP 174 Ca 0.49 -0.05 -0.18 0.00 -3.24 0.00 0.00 57.03 54.05 3kxp h ASP 174 Cb 0.89 -0.23 -0.00 0.00 -1.04 0.00 0.00 39.33 38.95 3kxp h ASP 174 CO -0.53 0.71 -0.54 0.00 -2.04 0.00 0.00 179.24 176.84 3kxp h ALA 175 N 1.44 0.54 -0.53 4.15 0.00 -1.34 -2.66 119.26 120.86 3kxp h ALA 175 Ca 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kxp h ALA 175 Cb -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kxp h ALA 175 CO -0.05 0.68 0.35 0.82 0.00 0.00 0.00 179.25 181.05 3kxp h ILE 176 N 0.62 1.14 -0.49 0.00 1.08 -0.54 -1.95 117.51 117.37 3kxp h ILE 176 Ca 0.02 -0.27 0.08 0.00 -0.39 0.00 0.00 64.86 64.29 3kxp h ILE 176 Cb 1.13 0.37 -0.07 0.00 -3.07 0.00 0.00 36.82 35.18 3kxp h ILE 176 CO 0.12 0.14 0.12 -0.09 -0.69 0.00 0.00 178.15 177.74 3kxp h ARG 177 N 0.72 0.25 -0.33 2.37 2.43 -0.82 -0.36 114.38 118.65 3kxp h ARG 177 Ca 0.19 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3kxp h ARG 177 Cb -0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3kxp h ARG 177 CO -0.04 0.17 0.18 0.82 -1.51 0.00 0.00 179.97 179.59 3kxp h ILE 178 N 0.26 1.02 -0.81 1.20 2.04 -1.09 -0.43 117.51 119.71 3kxp h ILE 178 Ca 0.24 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3kxp h ILE 178 Cb 0.31 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3kxp h ILE 178 CO -0.30 0.07 0.48 0.03 0.00 0.00 0.00 178.15 178.43 3kxp h ARG 179 N 0.38 1.10 -0.33 2.37 3.08 -0.75 -1.36 114.38 118.87 3kxp h ARG 179 Ca 0.13 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3kxp h ARG 179 Cb 0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3kxp h ARG 179 CO -0.07 0.78 0.02 0.00 -1.07 0.00 0.00 179.97 179.62 3kxp h ALA 180 N 1.26 0.44 0.00 0.04 0.00 -0.61 0.10 119.26 120.50 3kxp h ALA 180 Ca 0.29 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3kxp h ALA 180 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kxp h ALA 180 CO -0.05 0.19 -0.37 0.93 0.00 0.00 0.00 179.25 179.95 3kxp h GLU 181 N 0.39 0.00 0.00 0.00 5.08 -0.95 -3.31 114.58 115.79 3kxp h GLU 181 Ca 0.10 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 3kxp h GLU 181 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3kxp h GLU 181 CO 0.01 0.37 -2.01 -1.13 -1.00 0.00 0.00 179.01 175.25 3kxp n SER 182 N -3.41 0.91 -0.10 1.42 3.41 -0.52 -4.59 113.62 110.74 3kxp n SER 182 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3kxp n SER 182 Cb 0.54 1.28 0.35 0.00 -0.26 0.00 0.00 64.21 66.13 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 1.78 -0.99 3.27 5.00 0.00 0.34 -4.90 105.19 109.70 3kxp n GLY 183 Ca -0.17 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.76 1.98 0.12 1.61 1.51 -1.24 -0.85 117.35 117.71 3kxp s TYR 184 Ca 0.18 -0.38 0.10 0.00 -1.01 0.00 0.00 57.07 55.96 3kxp s TYR 184 Cb 0.18 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 3kxp s TYR 184 CO 0.60 0.08 -0.26 1.14 -1.11 0.00 0.00 175.55 176.00 3kxp s GLN 185 N -1.08 1.38 -0.05 -0.62 -2.07 -0.24 -4.89 119.66 112.09 3kxp s GLN 185 Ca 0.09 -1.29 -0.29 0.00 -1.82 0.00 0.00 55.36 52.05 3kxp s GLN 185 Cb -0.09 -1.81 -0.03 0.00 -1.09 0.00 0.00 33.01 30.00 3kxp s GLN 185 CO 0.01 0.43 0.93 -1.25 -1.32 0.00 0.00 175.29 174.10 3kxp s PRO 186 N -1.95 4.49 0.25 9.60 0.04 -1.26 -1.49 135.00 144.67 3kxp s PRO 186 Ca 0.12 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.52 3kxp s PRO 186 Cb -0.10 -3.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 3kxp s PRO 186 CO 0.05 -0.12 0.20 1.33 0.04 0.00 0.00 177.00 178.50 3kxp n VAL 187 N 4.10 0.00 -1.59 -0.36 0.24 0.18 -4.97 118.33 115.93 3kxp n VAL 187 Ca 0.05 -1.80 -0.44 0.00 -2.04 0.00 0.00 64.34 60.12 3kxp n VAL 187 Cb 0.50 0.87 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 3kxp n VAL 187 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3kxp n ASP 188 N -1.99 3.20 0.00 -1.34 2.03 -1.26 -1.31 116.55 115.87 3kxp n ASP 188 Ca 0.05 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.66 3kxp n ASP 188 Cb 0.45 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 5.74 2.64 0.00 0.27 0.00 -1.26 -4.99 105.19 107.58 3kxp n GLY 189 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3kxp n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxp n GLY 190 N -0.70 0.42 3.67 -0.02 0.00 -0.43 -4.77 105.19 103.37 3kxp n GLY 190 Ca 0.00 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 3kxp n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxp s LEU 191 N 0.00 3.75 0.06 0.99 2.01 0.10 0.49 118.68 126.08 3kxp s LEU 191 Ca 0.00 0.14 0.05 0.00 0.01 0.00 0.00 54.13 54.33 3kxp s LEU 191 Cb 0.00 -1.90 -0.03 0.00 0.01 0.00 0.00 46.19 44.27 3kxp s LEU 191 CO 0.00 0.29 -0.15 -0.60 1.01 0.00 0.00 176.35 176.90 3kxp s ARG 192 N -0.33 0.90 0.43 1.70 3.52 -0.56 -0.38 118.95 124.22 3kxp s ARG 192 Ca 0.08 -0.90 -0.26 0.00 -0.13 0.00 0.00 55.73 54.52 3kxp s ARG 192 Cb -0.12 -0.93 -0.09 0.00 -1.56 0.00 0.00 34.95 32.25 3kxp s ARG 192 CO 0.02 0.22 1.44 -2.14 -0.81 0.00 0.00 175.30 174.02 3kxp s PRO 193 N -1.53 3.80 0.33 5.12 0.02 -1.26 -1.08 135.00 140.41 3kxp s PRO 193 Ca 0.00 2.45 0.09 0.00 0.02 0.00 0.00 61.00 63.56 3kxp s PRO 193 Cb -0.09 -2.74 0.57 0.00 0.02 0.00 0.00 34.50 32.26 3kxp s PRO 193 CO 0.02 -0.73 1.77 -0.07 -0.33 0.00 0.00 177.00 177.65 3kxp h LEU 194 N 2.51 0.18 -9.86 -5.54 3.38 -1.32 -3.45 115.31 101.21 3kxp h LEU 194 Ca -0.51 -0.07 -0.53 0.00 0.09 0.00 0.00 57.88 56.87 3kxp h LEU 194 Cb 1.26 -0.05 0.08 0.00 0.09 0.00 0.00 40.66 42.04 3kxp h LEU 194 CO 0.62 0.53 0.74 0.00 0.09 0.00 0.00 178.44 180.42 3kxp s ALA 195 N -4.25 3.58 -0.27 1.53 0.00 -1.26 -4.62 121.76 116.47 3kxp s ALA 195 Ca -0.04 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 3kxp s ALA 195 Cb 0.14 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 3kxp s ALA 195 CO 0.75 -0.84 1.28 0.45 0.00 0.00 0.00 175.76 177.41 3kxp s SER 196 N -0.07 6.74 0.28 0.00 0.15 -0.79 -4.90 113.70 115.11 3kxp s SER 196 Ca 0.54 1.31 -0.03 0.00 0.70 0.00 0.00 55.95 58.46 3kxp s SER 196 Cb -0.43 -2.54 0.38 0.00 -1.71 0.00 0.00 66.02 61.71 3kxp s SER 196 CO 0.54 -1.00 1.94 0.77 1.20 0.00 0.00 173.24 176.69 3kxp h SER 197 N 9.00 1.04 -0.84 5.45 4.64 -1.92 -1.05 113.55 129.87 3kxp h SER 197 Ca -0.26 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 3kxp h SER 197 Cb 1.10 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 3kxp h SER 197 CO 1.02 0.74 0.41 0.00 -0.87 0.00 0.00 176.83 178.13 3kxp h ALA 198 N 1.44 1.08 0.00 5.18 0.00 -1.99 -0.71 119.26 124.26 3kxp h ALA 198 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kxp h ALA 198 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.37 3kxp h ALA 198 CO -0.09 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3kxp n ALA 199 N -2.41 1.76 0.00 0.00 0.00 -0.40 -2.44 120.51 117.02 3kxp n ALA 199 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3kxp n ALA 199 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kxp n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kxp n ALA 201 N 0.78 0.00 -0.19 0.00 0.00 -0.28 -0.73 120.51 120.09 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 0.14 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 1.00 -0.26 0.00 4.20 -1.75 -2.02 115.11 116.29 3kxp h GLN 202 Ca 0.00 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 3kxp h GLN 202 Cb 0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kxp h GLN 202 CO 0.00 1.03 0.04 1.15 -0.67 0.00 0.00 178.83 180.38 3kxp h THR 203 N 0.88 1.23 -0.12 -0.54 2.02 -1.11 -0.99 112.91 114.28 3kxp h THR 203 Ca 0.15 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.57 3kxp h THR 203 Cb 0.61 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3kxp h THR 203 CO 0.04 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.18 3kxp h ALA 204 N 0.86 0.10 -0.80 6.16 0.00 -1.79 0.04 119.26 123.82 3kxp h ALA 204 Ca 0.08 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3kxp h ALA 204 Cb 0.33 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3kxp h ALA 204 CO 0.00 -0.46 0.53 -0.09 0.00 0.00 0.00 179.25 179.24 3kxp h ARG 205 N 0.04 0.87 0.00 0.00 2.43 -1.26 -1.49 114.38 114.97 3kxp h ARG 205 Ca 0.05 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3kxp h ARG 205 Cb 0.06 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3kxp h ARG 205 CO -0.09 0.58 -0.27 0.78 -1.51 0.00 0.00 179.97 179.45 3kxp h GLY 206 N 0.90 0.00 1.63 2.80 0.00 -0.15 -2.81 103.07 105.45 3kxp h GLY 206 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3kxp h GLY 206 CO -0.12 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.46 3kxp n LEU 207 N -3.42 0.00 0.07 3.11 4.77 -0.10 -1.97 117.00 119.46 3kxp n LEU 207 Ca 0.00 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.42 3kxp n LEU 207 Cb 0.46 -0.32 0.28 0.00 -2.33 0.00 0.00 43.42 41.52 3kxp n LEU 207 CO 0.35 -0.20 0.57 0.54 -1.33 0.00 0.00 177.39 177.31 3kxp n ARG 208 N -1.32 0.25 -1.63 3.23 1.74 -1.06 -4.94 116.66 112.94 3kxp n ARG 208 Ca 0.05 0.12 -0.37 0.00 -0.77 0.00 0.00 57.85 56.88 3kxp n ARG 208 Cb 0.09 -1.71 0.07 0.00 -1.02 0.00 0.00 32.46 29.89 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 -2.10 1.43 -4.64 0.55 3.41 -0.83 -4.88 113.62 106.55 3kxp n SER 209 Ca 0.04 0.79 -0.42 0.00 -0.26 0.00 0.00 58.87 59.02 3kxp n SER 209 Cb 0.43 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.86 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 -1.41 6.11 0.00 4.04 2.15 -1.26 -4.87 116.67 121.44 3kxp s ASP 210 Ca 0.79 2.38 0.23 0.00 0.43 0.00 0.00 52.55 56.38 3kxp s ASP 210 Cb -0.38 -2.52 0.21 0.00 -0.30 0.00 0.00 42.92 39.92 3kxp s ASP 210 CO 0.44 -1.36 1.24 -0.11 -0.17 0.00 0.00 175.17 175.21 3kxp n LEU 211 N 8.96 2.97 -0.34 -1.34 7.94 -1.26 -4.49 117.00 129.44 3kxp n LEU 211 Ca 0.23 -1.05 0.01 0.00 -1.11 0.00 0.00 56.01 54.09 3kxp n LEU 211 Cb 0.43 -0.03 0.18 0.00 0.53 0.00 0.00 43.42 44.53 3kxp n LEU 211 CO 0.67 0.52 1.27 0.58 -1.11 0.00 0.00 177.39 179.32 3kxp h VAL 212 N 4.49 1.16 -0.50 1.96 2.07 -1.96 -2.88 116.25 120.59 3kxp h VAL 212 Ca 0.00 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.15 3kxp h VAL 212 Cb 0.96 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3kxp h VAL 212 CO 0.00 0.22 0.25 -0.65 0.02 0.00 0.00 177.57 177.41 3kxp h PRO 213 N 1.19 0.49 -0.21 1.57 0.11 -1.99 0.15 132.00 133.30 3kxp h PRO 213 Ca 0.38 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.44 3kxp h PRO 213 Cb 0.02 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3kxp h PRO 213 CO -0.12 0.32 0.04 0.00 -0.21 0.00 0.00 178.00 178.03 3kxp h ALA 214 N 1.26 0.28 -0.16 -0.75 0.00 -1.84 -0.55 119.26 117.50 3kxp h ALA 214 Ca 0.22 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3kxp h ALA 214 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kxp h ALA 214 CO -0.15 -0.06 -0.24 1.88 0.00 0.00 0.00 179.25 180.69 3kxp h TYR 215 N 0.15 0.31 -0.15 0.00 -1.99 -1.37 -1.78 116.97 112.13 3kxp h TYR 215 Ca 0.07 -0.06 -0.10 0.00 2.00 0.00 0.00 58.73 60.64 3kxp h TYR 215 Cb 0.30 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.95 3kxp h TYR 215 CO 0.02 0.51 -0.31 -0.09 -0.00 0.00 0.00 178.16 178.29 3kxp h ARG 216 N 0.26 0.48 0.00 4.88 2.43 -0.75 -3.35 114.38 118.33 3kxp h ARG 216 Ca 0.04 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3kxp h ARG 216 Cb 0.57 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3kxp h ARG 216 CO 0.04 0.91 -0.65 -0.25 -1.51 0.00 0.00 179.97 178.52 3kxp n ASP 217 N -4.38 0.61 -4.69 -3.80 8.00 -0.23 -4.93 116.55 107.12 3kxp n ASP 217 Ca -0.06 -0.35 -0.43 0.00 0.71 0.00 0.00 54.79 54.66 3kxp n ASP 217 Cb 0.48 0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.97 3kxp n ASP 217 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3kxp n VAL 218 N -1.58 0.29 0.02 2.53 3.14 -0.68 -4.88 118.33 117.17 3kxp n VAL 218 Ca 0.05 -0.05 0.10 0.00 -2.96 0.00 0.00 64.34 61.48 3kxp n VAL 218 Cb 0.35 -2.06 -0.13 0.00 -1.06 0.00 0.00 33.84 30.94 3kxp n VAL 218 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3kxp n THR 219 N 4.53 0.23 -2.31 1.55 -2.24 -1.26 -4.96 114.28 109.82 3kxp n THR 219 Ca 0.18 -0.53 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 3kxp n THR 219 Cb 0.36 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.43 3.66 0.36 -0.78 -0.14 -1.26 -5.01 119.74 113.13 3kxp s LYS 220 Ca -0.06 0.57 -0.29 0.00 -1.36 0.00 0.00 55.97 54.84 3kxp s LYS 220 Cb 0.12 -2.22 -0.11 0.00 -1.68 0.00 0.00 37.83 33.94 3kxp s LYS 220 CO 0.88 -0.34 1.53 -2.30 -0.76 0.00 0.00 175.35 174.35 3kxp n PRO 221 N -2.23 2.72 -3.82 -1.68 -0.02 -1.26 -4.88 135.00 123.83 3kxp n PRO 221 Ca 0.04 0.96 -0.19 0.00 -2.02 0.00 0.00 63.50 62.29 3kxp n PRO 221 Cb 0.54 -2.71 -0.17 0.00 -0.02 0.00 0.00 33.50 31.14 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 -0.79 0.12 -0.23 -1.45 1.01 -1.26 -1.07 120.40 116.72 3kxp s VAL 222 Ca 0.56 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.64 3kxp s VAL 222 Cb -0.47 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3kxp s VAL 222 CO 0.59 0.17 0.14 -0.22 0.00 0.00 0.00 175.10 175.79 3kxp s LEU 223 N 1.49 4.05 -0.25 3.92 2.96 0.13 -4.02 118.68 126.96 3kxp s LEU 223 Ca -0.03 0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.85 3kxp s LEU 223 Cb -0.13 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 3kxp s LEU 223 CO -0.03 0.07 0.21 -0.63 -1.32 0.00 0.00 176.35 174.66 3kxp s ILE 224 N 1.00 5.31 -0.17 6.68 1.01 -0.76 -0.22 121.20 134.05 3kxp s ILE 224 Ca 0.07 0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.00 3kxp s ILE 224 Cb -0.13 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.80 3kxp s ILE 224 CO 0.04 0.29 -0.18 -0.69 0.00 0.00 0.00 174.94 174.40 3kxp s VAL 225 N 1.37 1.90 -0.02 2.92 1.01 -0.79 -0.01 120.40 126.79 3kxp s VAL 225 Ca 0.09 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.31 3kxp s VAL 225 Cb -0.15 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3kxp s VAL 225 CO 0.07 0.51 -0.25 -0.60 0.00 0.00 0.00 175.10 174.83 3kxp s ARG 226 N 1.32 2.11 -0.07 2.72 3.52 0.49 -0.19 118.95 128.85 3kxp s ARG 226 Ca 0.04 -0.93 -0.29 0.00 -0.13 0.00 0.00 55.73 54.42 3kxp s ARG 226 Cb -0.13 -2.05 -0.02 0.00 -1.56 0.00 0.00 34.95 31.19 3kxp s ARG 226 CO -0.12 0.56 0.98 0.20 -0.81 0.00 0.00 175.30 176.11 3kxp s GLY 227 N -0.66 2.56 0.26 8.12 0.00 -1.26 -1.05 107.32 115.30 3kxp s GLY 227 Ca 0.10 0.41 -0.02 0.00 0.00 0.00 0.00 44.72 45.21 3kxp s GLY 227 CO -0.01 1.79 1.69 -2.09 0.00 0.00 0.00 173.10 174.48 3kxp h GLU 228 N 6.98 0.30 -0.66 2.90 4.81 -0.79 -0.46 114.58 127.67 3kxp h GLU 228 Ca -0.35 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 58.66 3kxp h GLU 228 Cb 1.18 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.37 3kxp h GLU 228 CO 0.81 0.20 0.22 -1.13 -0.73 0.00 0.00 179.01 178.39 3kxp n SER 229 N -5.12 4.45 -4.75 1.04 3.41 0.34 -4.92 113.62 108.07 3kxp n SER 229 Ca 0.17 -3.28 -0.41 0.00 -0.26 0.00 0.00 58.87 55.09 3kxp n SER 229 Cb 0.53 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.31 6.50 0.07 4.04 0.15 -0.18 -4.53 113.70 118.43 3kxp s SER 230 Ca 0.53 2.82 0.23 0.00 0.70 0.00 0.00 55.95 60.23 3kxp s SER 230 Cb 0.43 -2.63 0.09 0.00 -1.71 0.00 0.00 66.02 62.20 3kxp s SER 230 CO 0.11 -0.82 1.07 0.29 1.20 0.00 0.00 173.24 175.09 3kxp n LYS 231 N 2.31 0.30 -0.08 5.44 5.02 -1.26 -4.25 118.16 125.64 3kxp n LYS 231 Ca 0.08 0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.21 3kxp n LYS 231 Cb 0.39 -1.62 -0.12 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.01 -7.90 -0.35 7.12 -1.93 -3.43 115.31 108.84 3kxp h LEU 232 Ca 0.00 -0.81 -0.72 0.00 0.13 0.00 0.00 57.88 56.48 3kxp h LEU 232 Cb 0.75 -0.00 -0.31 0.00 -0.53 0.00 0.00 40.66 40.56 3kxp h LEU 232 CO 0.00 1.20 -0.42 -0.69 -0.13 0.00 0.00 178.44 178.39 3kxp s VAL 233 N -2.28 3.95 0.88 1.05 1.01 -1.26 -4.75 120.40 119.00 3kxp s VAL 233 Ca -0.23 -1.94 -0.11 0.00 0.00 0.00 0.00 61.98 59.70 3kxp s VAL 233 Cb 0.00 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.88 3kxp s VAL 233 CO 0.65 -0.76 1.09 -0.94 0.00 0.00 0.00 175.10 175.14 3kxp s SER 234 N 2.32 3.64 0.45 3.32 1.04 -1.26 -4.62 113.70 118.58 3kxp s SER 234 Ca 0.07 1.46 0.19 0.00 0.48 0.00 0.00 55.95 58.15 3kxp s SER 234 Cb -0.25 -2.15 1.07 0.00 0.10 0.00 0.00 66.02 64.79 3kxp s SER 234 CO -0.02 -2.53 1.96 0.00 0.98 0.00 0.00 173.24 173.63 3kxp h ALA 235 N -1.48 1.42 -0.04 5.32 0.00 -1.91 -2.45 119.26 120.13 3kxp h ALA 235 Ca -0.49 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 3kxp h ALA 235 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kxp h ALA 235 CO 0.55 0.28 0.01 0.00 0.00 0.00 0.00 179.25 180.08 3kxp h ALA 236 N 1.78 0.05 -0.51 0.00 0.00 -1.99 -1.08 119.26 117.52 3kxp h ALA 236 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kxp h ALA 236 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3kxp h ALA 236 CO 0.03 -0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.31 3kxp h ALA 237 N 0.76 1.64 0.21 0.00 0.00 -1.73 -1.09 119.26 119.05 3kxp h ALA 237 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kxp h ALA 237 Cb 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kxp h ALA 237 CO 0.00 0.33 -0.10 1.25 0.00 0.00 0.00 179.25 180.74 3kxp h LEU 238 N 0.69 -0.23 -0.78 0.00 5.85 -1.21 -0.64 115.31 118.99 3kxp h LEU 238 Ca 0.19 -0.26 0.12 0.00 0.84 0.00 0.00 57.88 58.77 3kxp h LEU 238 Cb -0.07 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 3kxp h LEU 238 CO -0.04 0.17 0.39 0.00 -0.34 0.00 0.00 178.44 178.62 3kxp h ALA 239 N -0.01 1.13 -0.44 1.25 0.00 -0.94 0.60 119.26 120.84 3kxp h ALA 239 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kxp h ALA 239 Cb 0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kxp h ALA 239 CO 0.05 -0.07 0.22 0.87 0.00 0.00 0.00 179.25 180.32 3kxp h LYS 240 N 0.61 0.63 -0.67 0.00 1.57 -1.13 -2.02 116.57 115.56 3kxp h LYS 240 Ca 0.41 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 59.13 3kxp h LYS 240 Cb 0.51 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3kxp h LYS 240 CO -0.32 0.53 0.41 1.15 -0.57 0.00 0.00 179.45 180.65 3kxp h THR 241 N 0.57 1.07 0.00 -0.16 2.02 0.57 -2.08 112.91 114.89 3kxp h THR 241 Ca 0.15 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 3kxp h THR 241 Cb 0.10 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3kxp h THR 241 CO -0.02 0.15 -0.29 0.28 0.37 0.00 0.00 175.52 176.01 3kxp h SER 242 N 0.80 0.00 1.57 4.18 0.02 -0.74 -0.51 113.55 118.87 3kxp h SER 242 Ca 0.27 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 3kxp h SER 242 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3kxp h SER 242 CO -0.12 0.29 -0.22 -0.09 -1.14 0.00 0.00 176.83 175.55 3kxp h ARG 243 N 0.00 0.00 0.15 3.45 2.43 -0.81 0.20 114.38 119.80 3kxp h ARG 243 Ca -0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 3kxp h ARG 243 Cb 0.67 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.24 3kxp h ARG 243 CO 0.04 0.22 -1.05 1.25 -1.51 0.00 0.00 179.97 178.92 3kxp h LEU 244 N 0.00 0.66 -6.20 3.80 7.12 -0.70 -3.40 115.31 116.59 3kxp h LEU 244 Ca -0.00 -0.90 -0.58 0.00 0.13 0.00 0.00 57.88 56.53 3kxp h LEU 244 Cb 1.07 -0.21 -0.39 0.00 -0.53 0.00 0.00 40.66 40.59 3kxp h LEU 244 CO 0.03 1.50 -0.96 0.54 -0.13 0.00 0.00 178.44 179.42 3kxp n ARG 245 N -3.97 0.94 0.08 1.25 5.12 -0.27 -4.96 116.66 114.84 3kxp n ARG 245 Ca -0.14 -3.52 0.07 0.00 -1.93 0.00 0.00 57.85 52.33 3kxp n ARG 245 Cb 0.91 -1.56 0.34 0.00 -1.16 0.00 0.00 32.46 30.99 3kxp n ARG 245 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kxp n PRO 246 N 1.72 0.08 0.20 5.56 -0.04 0.70 -2.04 135.00 141.18 3kxp n PRO 246 Ca 0.25 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.30 3kxp n PRO 246 Cb 0.49 -1.73 0.13 0.00 -0.04 0.00 0.00 33.50 32.35 3kxp n PRO 246 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3kxp h ASP 247 N 0.00 0.00 -3.06 3.54 3.04 -1.93 -3.45 116.42 114.57 3kxp h ASP 247 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 3kxp h ASP 247 Cb 0.10 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.35 3kxp h ASP 247 CO 0.00 0.13 0.75 -0.76 -2.04 0.00 0.00 179.24 177.32 3kxp s LEU 248 N -6.28 4.23 0.38 0.15 1.43 -0.87 -5.00 118.68 112.73 3kxp s LEU 248 Ca 0.06 1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 54.60 3kxp s LEU 248 Cb 0.06 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.63 3kxp s LEU 248 CO 0.69 -0.63 1.40 -2.16 0.23 0.00 0.00 176.35 175.88 3kxp s PRO 249 N 2.63 4.08 -0.02 1.29 0.04 -1.26 -4.88 135.00 136.88 3kxp s PRO 249 Ca 0.54 2.38 0.08 0.00 0.04 0.00 0.00 61.00 64.03 3kxp s PRO 249 Cb -0.22 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 3kxp s PRO 249 CO 0.18 -0.48 -0.25 0.08 0.04 0.00 0.00 177.00 176.57 3kxp s VAL 250 N -1.17 1.96 -0.16 -0.36 1.01 -1.26 -1.83 120.40 118.60 3kxp s VAL 250 Ca 0.54 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3kxp s VAL 250 Cb -0.43 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kxp s VAL 250 CO 0.57 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 175.48 3kxp s VAL 251 N -0.55 1.08 -0.26 2.92 1.01 0.99 -4.98 120.40 120.62 3kxp s VAL 251 Ca 0.09 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 3kxp s VAL 251 Cb -0.10 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3kxp s VAL 251 CO -0.01 0.16 0.06 -0.69 0.00 0.00 0.00 175.10 174.63 3kxp s VAL 252 N 1.65 4.16 -0.37 2.92 1.01 -1.26 -0.38 120.40 128.14 3kxp s VAL 252 Ca 0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 3kxp s VAL 252 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3kxp s VAL 252 CO -0.08 0.29 0.54 -0.69 0.00 0.00 0.00 175.10 175.16 3kxp s VAL 253 N 1.58 4.98 0.45 2.92 1.01 -0.21 -4.86 120.40 126.26 3kxp s VAL 253 Ca 0.06 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 3kxp s VAL 253 Cb -0.15 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 3kxp s VAL 253 CO 0.03 -0.29 1.29 -2.84 0.00 0.00 0.00 175.10 173.29 3kxp s PRO 254 N 2.48 3.75 0.00 2.72 0.02 -1.26 -1.79 135.00 140.92 3kxp s PRO 254 Ca 0.20 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3kxp s PRO 254 Cb -0.15 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.79 3kxp s PRO 254 CO 0.14 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3kxp n GLY 255 N 0.63 0.50 3.53 0.52 0.00 -1.26 -4.93 105.19 104.18 3kxp n GLY 255 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.26 2.81 0.00 4.61 0.00 -1.11 -4.95 121.76 120.86 3kxp s ALA 256 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3kxp s ALA 256 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.14 3kxp s ALA 256 CO 0.00 0.59 0.00 -0.40 0.00 0.00 0.00 175.76 175.95 3kxp n ASP 257 N 1.75 0.27 -0.31 0.00 3.85 -1.26 -0.50 116.55 120.34 3kxp n ASP 257 Ca -0.16 0.00 0.19 0.00 -0.71 0.00 0.00 54.79 54.11 3kxp n ASP 257 Cb 0.52 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 40.75 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 0.76 -0.67 2.11 -0.00 -1.87 -3.14 115.15 112.34 3kxp h HIS 258 Ca 0.00 0.03 -0.71 0.00 -0.00 0.00 0.00 60.37 59.68 3kxp h HIS 258 Cb 0.00 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.12 3kxp h HIS 258 CO 0.00 0.13 2.96 0.66 -0.00 0.00 0.00 177.93 181.68 3kxp n TYR 259 N -4.65 2.64 0.05 5.26 4.01 -1.26 -4.81 117.16 118.41 3kxp n TYR 259 Ca 0.23 -2.93 -0.11 0.00 -0.16 0.00 0.00 57.90 54.93 3kxp n TYR 259 Cb 0.74 -2.15 -0.04 0.00 -0.31 0.00 0.00 39.34 37.58 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 2.98 0.47 0.00 -0.72 2.07 -1.93 -0.99 116.25 118.13 3kxp h VAL 260 Ca 0.72 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.21 3kxp h VAL 260 Cb 0.36 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3kxp h VAL 260 CO 1.64 0.00 -0.14 -0.55 0.02 0.00 0.00 177.57 178.54 3kxp h ASN 261 N -0.34 0.00 0.30 0.57 7.08 -1.87 -0.42 115.58 120.89 3kxp h ASN 261 Ca 0.07 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 52.96 3kxp h ASN 261 Cb 0.43 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.64 3kxp h ASN 261 CO -0.22 0.14 -1.85 -0.33 -2.08 0.00 0.00 177.43 173.10 3kxp h GLU 262 N 0.00 0.16 0.04 4.14 5.08 -1.90 -3.27 114.58 118.82 3kxp h GLU 262 Ca -0.00 -0.27 -0.22 0.00 -1.00 0.00 0.00 59.36 57.86 3kxp h GLU 262 Cb 0.33 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3kxp h GLU 262 CO 0.02 0.92 -1.03 0.28 -1.00 0.00 0.00 179.01 178.19 3kxp h VAL 263 N 0.04 1.60 -2.09 3.13 2.07 -1.08 -3.39 116.25 116.53 3kxp h VAL 263 Ca -0.35 -3.12 -0.58 0.00 0.82 0.00 0.00 66.70 63.47 3kxp h VAL 263 Cb 2.03 2.78 -0.40 0.00 -1.52 0.00 0.00 31.29 34.18 3kxp h VAL 263 CO 0.09 0.90 -0.90 -1.20 0.02 0.00 0.00 177.57 176.49 3kxp n SER 264 N -3.48 1.62 -0.26 0.57 7.64 -0.18 -4.96 113.62 114.57 3kxp n SER 264 Ca -0.03 -2.99 -0.04 0.00 1.01 0.00 0.00 58.87 56.82 3kxp n SER 264 Cb 0.93 -0.65 0.07 0.00 -1.01 0.00 0.00 64.21 63.55 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 4.11 0.89 0.01 1.43 0.13 -1.74 -2.00 132.00 134.83 3kxp h PRO 265 Ca 0.13 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3kxp h PRO 265 Cb 0.79 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3kxp h PRO 265 CO 0.61 0.59 -0.00 0.93 -0.23 0.00 0.00 178.00 179.90 3kxp h GLU 266 N 0.92 -0.01 -0.34 0.86 4.39 -1.93 -1.53 114.58 116.95 3kxp h GLU 266 Ca 0.28 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 3kxp h GLU 266 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3kxp h GLU 266 CO -0.09 0.24 -0.13 0.82 -1.16 0.00 0.00 179.01 178.69 3kxp h ILE 267 N -0.26 1.24 -0.22 3.13 2.04 -1.97 -1.96 117.51 119.51 3kxp h ILE 267 Ca -0.00 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 3kxp h ILE 267 Cb 0.25 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3kxp h ILE 267 CO 0.00 0.36 0.09 0.74 0.00 0.00 0.00 178.15 179.34 3kxp h THR 268 N 0.54 1.17 -0.33 -0.27 2.02 -1.26 0.14 112.91 114.92 3kxp h THR 268 Ca 0.10 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3kxp h THR 268 Cb 0.54 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3kxp h THR 268 CO 0.03 0.17 0.17 0.25 0.37 0.00 0.00 175.52 176.52 3kxp h LEU 269 N 0.20 0.42 -0.91 2.58 5.85 -1.16 0.11 115.31 122.41 3kxp h LEU 269 Ca 0.07 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3kxp h LEU 269 Cb 0.19 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3kxp h LEU 269 CO -0.01 0.41 0.37 0.50 -0.34 0.00 0.00 178.44 179.37 3kxp h LYS 270 N 0.41 1.15 -0.68 1.25 3.11 -1.22 -0.43 116.57 120.17 3kxp h LYS 270 Ca 0.12 -0.17 -0.07 0.00 -2.81 0.00 0.00 60.65 57.71 3kxp h LYS 270 Cb 0.08 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.08 3kxp h LYS 270 CO -0.02 0.90 0.14 0.00 -2.81 0.00 0.00 179.45 177.66 3kxp h ALA 271 N 1.26 0.90 -0.55 5.00 0.00 -0.38 -1.33 119.26 124.16 3kxp h ALA 271 Ca 0.27 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kxp h ALA 271 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kxp h ALA 271 CO -0.03 0.64 0.09 0.82 0.00 0.00 0.00 179.25 180.77 3kxp h ILE 272 N 1.03 1.25 -0.21 0.00 2.04 -0.20 -2.97 117.51 118.45 3kxp h ILE 272 Ca 0.21 -0.96 -0.18 0.00 1.00 0.00 0.00 64.86 64.93 3kxp h ILE 272 Cb 0.41 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3kxp h ILE 272 CO 0.01 0.35 -0.59 0.71 0.00 0.00 0.00 178.15 178.63 3kxp h THR 273 N 0.81 1.30 0.00 -0.27 1.35 -0.93 -2.15 112.91 113.03 3kxp h THR 273 Ca 0.17 -1.82 -0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3kxp h THR 273 Cb 0.41 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3kxp h THR 273 CO 0.01 0.57 -0.00 0.78 -0.25 0.00 0.00 175.52 176.63 3kxp h ASN 274 N 0.52 0.00 0.00 5.36 2.35 -1.21 -0.96 115.58 121.64 3kxp h ASN 274 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kxp h ASN 274 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3kxp h ASN 274 CO 0.12 0.00 -0.10 0.15 -1.65 0.00 0.00 177.43 175.95 3kxp h PHE 275 N 0.00 0.00 0.00 1.19 -0.00 -1.32 -3.34 116.94 113.46 3kxp h PHE 275 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3kxp h PHE 275 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.96 3kxp h PHE 275 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 178.31 177.47 3kxp h ILE 276 N -0.95 0.00 -0.02 1.41 3.07 -1.35 -3.24 117.51 116.44 3kxp h ILE 276 Ca 0.00 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.95 3kxp h ILE 276 Cb 0.10 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 3kxp h ILE 276 CO 0.00 0.00 -0.25 0.47 -1.05 0.00 0.00 178.15 177.32 3kxp n ASP 277 N -2.49 1.90 0.00 2.16 8.00 -0.37 -5.09 116.55 120.66 3kxp n ASP 277 Ca 0.03 -1.46 0.02 0.00 0.71 0.00 0.00 54.79 54.10 3kxp n ASP 277 Cb 0.35 0.22 0.11 0.00 -0.02 0.00 0.00 41.12 41.78 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81