#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxi n LYS 2 N 0.00 0.35 -3.58 2.12 5.02 -1.25 -4.26 118.16 116.56 3kxi n LYS 2 Ca 0.00 0.12 -0.34 0.00 -2.02 0.00 0.00 58.31 56.07 3kxi n LYS 2 Cb 0.00 -1.25 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 3kxi n LYS 2 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kxi s THR 3 N -1.23 5.10 0.03 -0.18 -4.23 -1.26 0.01 115.64 113.88 3kxi s THR 3 Ca 0.62 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.55 3kxi s THR 3 Cb -0.77 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 69.41 3kxi s THR 3 CO 0.58 0.25 -0.07 0.00 -0.54 0.00 0.00 174.62 174.84 3kxi s ALA 4 N -1.44 0.57 -0.32 3.99 0.00 -0.10 -2.13 121.76 122.32 3kxi s ALA 4 Ca 0.34 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 3kxi s ALA 4 Cb -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 3kxi s ALA 4 CO 0.19 0.04 0.18 0.00 0.00 0.00 0.00 175.76 176.17 3kxi s ALA 5 N -0.95 3.36 -0.19 0.00 0.00 -0.35 -2.12 121.76 121.51 3kxi s ALA 5 Ca -0.05 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.38 3kxi s ALA 5 Cb -0.07 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 3kxi s ALA 5 CO 0.00 -0.93 0.31 -1.17 0.00 0.00 0.00 175.76 173.97 3kxi s LEU 6 N 1.65 4.19 -0.22 0.00 2.96 0.33 -0.81 118.68 126.78 3kxi s LEU 6 Ca 0.05 0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 3kxi s LEU 6 Cb -0.17 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 3kxi s LEU 6 CO 0.08 0.03 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.73 3kxi s PHE 7 N 0.90 2.96 0.14 5.38 0.08 0.33 0.25 117.98 128.02 3kxi s PHE 7 Ca 0.16 -0.92 -0.20 0.00 0.12 0.00 0.00 56.93 56.09 3kxi s PHE 7 Cb -0.14 -2.10 0.05 0.00 -0.57 0.00 0.00 43.02 40.27 3kxi s PHE 7 CO 0.05 -0.53 0.51 0.54 -0.10 0.00 0.00 175.22 175.69 3kxi s VAL 8 N 1.43 0.03 0.57 -0.44 0.11 -0.30 -0.28 120.40 121.52 3kxi s VAL 8 Ca 0.05 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 58.72 3kxi s VAL 8 Cb -0.14 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.58 3kxi s VAL 8 CO -0.03 -0.14 1.00 -0.94 -3.33 0.00 0.00 175.10 171.66 3kxi s SER 9 N -2.75 6.37 0.25 3.54 1.04 -1.26 -1.53 113.70 119.36 3kxi s SER 9 Ca 0.02 1.45 -0.04 0.00 0.48 0.00 0.00 55.95 57.86 3kxi s SER 9 Cb 0.00 -2.47 0.39 0.00 0.10 0.00 0.00 66.02 64.04 3kxi s SER 9 CO -0.12 -0.75 1.84 0.11 0.98 0.00 0.00 173.24 175.30 3kxi h LYS 10 N 0.16 0.94 -0.88 4.02 1.79 -1.96 -1.64 116.57 119.00 3kxi h LYS 10 Ca -0.45 -0.06 0.15 0.00 -2.18 0.00 0.00 60.65 58.11 3kxi h LYS 10 Cb 1.19 -0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 31.53 3kxi h LYS 10 CO 0.62 0.62 0.48 1.49 -1.08 0.00 0.00 179.45 181.58 3kxi h GLU 11 N 0.97 0.67 -0.28 3.15 4.81 -2.04 -2.47 114.58 119.39 3kxi h GLU 11 Ca 0.41 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.48 3kxi h GLU 11 Cb 0.26 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 3kxi h GLU 11 CO -0.20 0.44 -0.09 1.19 -0.73 0.00 0.00 179.01 179.62 3kxi n PHE 12 N -4.82 0.89 -0.03 0.92 3.72 -0.95 -4.77 117.46 112.41 3kxi n PHE 12 Ca 0.18 -1.40 -0.14 0.00 -0.05 0.00 0.00 57.45 56.04 3kxi n PHE 12 Cb 0.43 -0.41 -0.09 0.00 -0.94 0.00 0.00 39.48 38.47 3kxi n PHE 12 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kxi h GLU 13 N 1.08 0.19 0.00 -1.08 4.81 -0.82 -0.86 114.58 117.90 3kxi h GLU 13 Ca 0.14 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3kxi h GLU 13 Cb 1.51 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.91 3kxi h GLU 13 CO 0.29 0.72 -0.13 1.49 -0.73 0.00 0.00 179.01 180.66 3kxi h GLU 14 N -0.32 0.00 0.09 1.92 4.81 -1.86 -2.07 114.58 117.15 3kxi h GLU 14 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kxi h GLU 14 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3kxi h GLU 14 CO 0.03 0.13 -0.04 1.49 -0.73 0.00 0.00 179.01 179.89 3kxi h GLU 15 N 0.00 -0.11 -0.57 1.92 4.57 -1.85 -3.07 114.58 115.47 3kxi h GLU 15 Ca -0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3kxi h GLU 15 Cb 0.71 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 3kxi h GLU 15 CO 0.02 0.24 0.17 0.00 -1.18 0.00 0.00 179.01 178.25 3kxi h ALA 16 N 0.38 0.75 -0.39 2.92 0.00 -0.91 -2.44 119.26 119.58 3kxi h ALA 16 Ca -0.01 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3kxi h ALA 16 Cb 0.40 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3kxi h ALA 16 CO 0.02 0.42 0.17 0.82 0.00 0.00 0.00 179.25 180.68 3kxi h ILE 17 N 0.80 0.93 -0.73 0.00 2.04 -1.47 0.28 117.51 119.36 3kxi h ILE 17 Ca 0.18 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3kxi h ILE 17 Cb 0.30 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3kxi h ILE 17 CO -0.00 0.06 0.39 0.00 0.00 0.00 0.00 178.15 178.60 3kxi h ALA 18 N 1.23 0.94 -0.35 1.87 0.00 -1.42 -1.50 119.26 120.03 3kxi h ALA 18 Ca 0.17 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3kxi h ALA 18 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kxi h ALA 18 CO -0.15 0.47 -0.42 -0.07 0.00 0.00 0.00 179.25 179.08 3kxi h LEU 19 N 1.01 0.95 -0.54 0.00 3.38 -0.92 -0.43 115.31 118.77 3kxi h LEU 19 Ca 0.26 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 3kxi h LEU 19 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3kxi h LEU 19 CO -0.04 1.24 -0.10 0.58 0.09 0.00 0.00 178.44 180.21 3kxi h VAL 20 N 0.71 1.27 -0.03 1.22 2.07 -0.27 -1.34 116.25 119.88 3kxi h VAL 20 Ca 0.05 -1.25 -0.14 0.00 0.82 0.00 0.00 66.70 66.19 3kxi h VAL 20 Cb 1.01 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3kxi h VAL 20 CO 0.10 0.44 -0.61 -0.33 0.02 0.00 0.00 177.57 177.19 3kxi h GLU 21 N 0.89 0.10 -0.89 1.57 5.08 -1.24 -1.65 114.58 118.44 3kxi h GLU 21 Ca 0.14 -0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.56 3kxi h GLU 21 Cb 0.66 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.83 3kxi h GLU 21 CO 0.05 0.68 0.50 0.78 -1.00 0.00 0.00 179.01 180.01 3kxi h GLY 22 N 1.67 1.45 -1.46 -3.84 0.00 -0.56 -1.00 103.07 99.31 3kxi h GLY 22 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3kxi h GLY 22 CO 0.09 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.66 3kxi n ALA 23 N -2.39 2.76 -3.43 3.60 0.00 -0.55 -4.86 120.51 115.64 3kxi n ALA 23 Ca 0.17 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 3kxi n ALA 23 Cb 0.40 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 18.88 3kxi n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kxi n ASN 24 N 0.11 -6.09 -4.59 0.00 3.02 -0.38 -4.95 115.26 102.38 3kxi n ASN 24 Ca 0.05 -0.47 -0.34 0.00 -0.03 0.00 0.00 54.58 53.79 3kxi n ASN 24 Cb 0.42 -4.84 -0.11 0.00 -0.61 0.00 0.00 39.78 34.64 3kxi n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kxi s TYR 25 N -3.26 2.97 -0.43 3.10 2.02 -0.86 -2.39 117.35 118.50 3kxi s TYR 25 Ca 0.50 0.02 -0.23 0.00 -0.37 0.00 0.00 57.07 56.98 3kxi s TYR 25 Cb -0.22 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.62 3kxi s TYR 25 CO 0.61 0.32 0.76 0.21 -1.57 0.00 0.00 175.55 175.89 3kxi s LYS 26 N -0.73 3.45 -0.71 -0.62 2.47 0.10 -4.02 119.74 119.69 3kxi s LYS 26 Ca 0.11 -0.07 -0.26 0.00 -1.56 0.00 0.00 55.97 54.19 3kxi s LYS 26 Cb -0.11 -3.92 0.01 0.00 -1.46 0.00 0.00 37.83 32.35 3kxi s LYS 26 CO 0.02 -1.05 1.57 0.08 0.16 0.00 0.00 175.35 176.13 3kxi s VAL 27 N 3.19 3.56 -0.28 4.02 1.01 -1.26 -0.93 120.40 129.71 3kxi s VAL 27 Ca 0.29 0.22 0.22 0.00 0.00 0.00 0.00 61.98 62.71 3kxi s VAL 27 Cb -0.13 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 31.88 3kxi s VAL 27 CO 0.21 -1.41 1.21 0.71 0.00 0.00 0.00 175.10 175.82 3kxi h THR 28 N 6.50 0.07 -2.20 3.92 1.35 -1.80 -3.47 112.91 117.27 3kxi h THR 28 Ca -0.23 -1.11 -0.06 0.00 -0.55 0.00 0.00 66.41 64.46 3kxi h THR 28 Cb 1.09 1.71 -0.22 0.00 -1.73 0.00 0.00 68.15 69.01 3kxi h THR 28 CO 1.26 0.04 0.04 -0.94 -0.25 0.00 0.00 175.52 175.66 3kxi s SER 29 N -5.67 -0.66 0.10 5.36 1.04 -1.22 -5.07 113.70 107.57 3kxi s SER 29 Ca 0.02 1.26 0.10 0.00 0.48 0.00 0.00 55.95 57.81 3kxi s SER 29 Cb 0.08 1.28 -0.04 0.00 0.10 0.00 0.00 66.02 67.44 3kxi s SER 29 CO 0.76 -0.23 -0.26 -0.63 0.98 0.00 0.00 173.24 173.86 3kxi s ILE 30 N 0.28 2.31 -0.01 -1.02 1.01 -1.26 -0.51 121.20 122.00 3kxi s ILE 30 Ca -0.00 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.05 3kxi s ILE 30 Cb -0.04 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.46 3kxi s ILE 30 CO 0.01 0.19 0.01 -0.31 0.00 0.00 0.00 174.94 174.84 3kxi s TYR 31 N -0.98 0.09 0.17 3.97 2.02 0.14 -4.94 117.35 117.82 3kxi s TYR 31 Ca 0.14 0.05 -0.30 0.00 -0.37 0.00 0.00 57.07 56.59 3kxi s TYR 31 Cb -0.10 -0.19 -0.08 0.00 -0.40 0.00 0.00 41.96 41.20 3kxi s TYR 31 CO 0.05 -0.06 1.13 0.15 -1.57 0.00 0.00 175.55 175.25 3kxi s LYS 32 N 0.63 4.56 0.70 -0.62 1.02 -1.25 -1.15 119.74 123.62 3kxi s LYS 32 Ca -0.05 1.76 -0.16 0.00 0.02 0.00 0.00 55.97 57.54 3kxi s LYS 32 Cb -0.08 -3.27 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3kxi s LYS 32 CO -0.02 0.01 1.21 -0.51 -0.92 0.00 0.00 175.35 175.13 3kxi s LEU 33 N -0.26 3.39 -0.07 3.17 1.43 -0.58 -4.82 118.68 120.94 3kxi s LEU 33 Ca 0.51 2.37 0.15 0.00 -1.03 0.00 0.00 54.13 56.13 3kxi s LEU 33 Cb -0.30 -4.59 0.56 0.00 0.03 0.00 0.00 46.19 41.89 3kxi s LEU 33 CO 0.35 -2.12 1.45 -0.81 0.23 0.00 0.00 176.35 175.44 3kxi n PRO 34 N -2.48 2.97 0.00 1.29 -0.05 -1.26 -4.91 135.00 130.55 3kxi n PRO 34 Ca 0.14 -2.23 0.00 0.00 -0.05 0.00 0.00 63.50 61.36 3kxi n PRO 34 Cb 0.50 -1.69 0.00 0.00 -0.05 0.00 0.00 33.50 32.26 3kxi n PRO 34 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 3kxi n LYS 35 N 0.95 0.00 -3.30 0.54 5.02 -1.26 -4.75 118.16 115.35 3kxi n LYS 35 Ca 0.20 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 56.05 3kxi n LYS 35 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.61 3kxi n LYS 35 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3kxi s SER 36 N 0.00 6.18 0.27 4.39 0.01 -1.26 -5.06 113.70 118.22 3kxi s SER 36 Ca 0.00 -1.09 -0.30 0.00 1.31 0.00 0.00 55.95 55.87 3kxi s SER 36 Cb 0.00 -2.23 -0.10 0.00 0.21 0.00 0.00 66.02 63.90 3kxi s SER 36 CO 0.00 -0.72 1.44 -2.16 0.41 0.00 0.00 173.24 172.21 3kxi s PRO 37 N 2.05 4.25 0.15 12.44 0.04 -1.26 -4.95 135.00 147.72 3kxi s PRO 37 Ca 0.09 2.33 -0.33 0.00 0.04 0.00 0.00 61.00 63.13 3kxi s PRO 37 Cb -0.21 -3.09 -0.16 0.00 0.04 0.00 0.00 34.50 31.07 3kxi s PRO 37 CO 0.09 -0.42 1.10 -1.71 0.04 0.00 0.00 177.00 176.10 3kxi n ASN 38 N 2.09 0.94 0.28 6.66 2.85 0.46 -4.79 115.26 123.74 3kxi n ASN 38 Ca 0.06 1.14 0.16 0.00 -0.11 0.00 0.00 54.58 55.83 3kxi n ASN 38 Cb 0.40 -1.15 0.75 0.00 1.24 0.00 0.00 39.78 41.02 3kxi n ASN 38 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3kxi h VAL 39 N 2.57 0.20 0.00 3.44 2.07 -1.92 -0.44 116.25 122.18 3kxi h VAL 39 Ca -0.43 -0.53 -0.32 0.00 0.82 0.00 0.00 66.70 66.24 3kxi h VAL 39 Cb 1.36 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 3kxi h VAL 39 CO 0.68 0.06 -2.04 0.29 0.02 0.00 0.00 177.57 176.59 3kxi n LYS 40 N -3.24 0.43 -0.21 1.57 5.02 -1.26 -4.76 118.16 115.70 3kxi n LYS 40 Ca -0.01 0.19 0.06 0.00 -2.02 0.00 0.00 58.31 56.53 3kxi n LYS 40 Cb 0.27 -1.23 0.17 0.00 -0.02 0.00 0.00 35.03 34.22 3kxi n LYS 40 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3kxi n PHE 41 N -3.95 0.53 0.00 2.13 3.72 -1.25 -4.39 117.46 114.26 3kxi n PHE 41 Ca -0.38 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.48 3kxi n PHE 41 Cb 0.76 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 3kxi n PHE 41 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3kxi n TYR 42 N 0.42 0.00 -1.38 1.38 9.36 -0.17 -4.72 117.16 122.05 3kxi n TYR 42 Ca 0.13 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.26 3kxi n TYR 42 Cb 0.48 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.26 3kxi n TYR 42 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 3kxi n ILE 43 N 0.00 0.00 -2.62 2.97 -5.35 -1.26 0.17 119.36 113.27 3kxi n ILE 43 Ca 0.00 -0.32 -0.40 0.00 -0.27 0.00 0.00 62.75 61.76 3kxi n ILE 43 Cb 0.00 -1.79 -0.05 0.00 -1.74 0.00 0.00 39.64 36.06 3kxi n ILE 43 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3kxi s GLN 44 N -3.83 4.75 0.06 6.28 -1.52 -1.26 -4.19 119.66 119.94 3kxi s GLN 44 Ca 0.23 1.63 -0.25 0.00 -1.95 0.00 0.00 55.36 55.01 3kxi s GLN 44 Cb -0.01 -3.25 -0.17 0.00 -0.22 0.00 0.00 33.01 29.37 3kxi s GLN 44 CO 0.16 0.35 1.56 -0.92 -0.25 0.00 0.00 175.29 176.19 3kxi h TYR 45 N 4.18 -0.20 -0.46 0.91 3.20 -1.96 0.40 116.97 123.04 3kxi h TYR 45 Ca -0.45 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.43 3kxi h TYR 45 Cb 1.21 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 3kxi h TYR 45 CO 0.60 -0.02 0.26 0.38 -1.64 0.00 0.00 178.16 177.75 3kxi h ASP 46 N -0.35 0.42 -0.43 -2.11 2.03 -1.99 0.11 116.42 114.10 3kxi h ASP 46 Ca -0.02 0.01 -0.08 0.00 -0.73 0.00 0.00 57.03 56.21 3kxi h ASP 46 Cb 0.28 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 3kxi h ASP 46 CO 0.04 0.30 -0.01 0.50 -1.03 0.00 0.00 179.24 179.04 3kxi h LYS 47 N 0.53 0.84 -0.56 4.15 1.63 -1.93 -1.62 116.57 119.61 3kxi h LYS 47 Ca 0.19 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 3kxi h LYS 47 Cb 0.03 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 3kxi h LYS 47 CO -0.09 0.85 0.17 1.25 -3.45 0.00 0.00 179.45 178.18 3kxi h LEU 48 N 0.78 0.77 0.00 5.20 5.85 0.39 -2.89 115.31 125.41 3kxi h LEU 48 Ca 0.15 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kxi h LEU 48 Cb 0.48 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3kxi h LEU 48 CO 0.02 0.73 -0.00 1.56 -0.34 0.00 0.00 178.44 180.41 3kxi h GLN 49 N 0.81 -0.01 -0.93 1.25 1.08 -0.06 0.37 115.11 117.63 3kxi h GLN 49 Ca 0.18 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.55 3kxi h GLN 49 Cb 0.24 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.59 3kxi h GLN 49 CO -0.01 0.30 0.59 1.96 -0.95 0.00 0.00 178.83 180.72 3kxi h GLN 50 N -0.31 0.66 -0.25 1.46 1.08 -1.30 0.15 115.11 116.60 3kxi h GLN 50 Ca -0.00 -0.04 -0.18 0.00 -1.45 0.00 0.00 58.65 56.98 3kxi h GLN 50 Cb 0.31 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3kxi h GLN 50 CO 0.00 0.44 -0.55 0.82 -0.95 0.00 0.00 178.83 178.59 3kxi h ILE 51 N 0.68 1.29 -0.41 2.54 2.04 -1.30 0.02 117.51 122.37 3kxi h ILE 51 Ca 0.48 -1.75 0.08 0.00 1.00 0.00 0.00 64.86 64.67 3kxi h ILE 51 Cb 0.82 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 3kxi h ILE 51 CO -0.24 0.56 0.28 0.50 0.00 0.00 0.00 178.15 179.26 3kxi h LYS 52 N 0.59 0.19 -0.01 2.37 3.64 0.15 -3.08 116.57 120.42 3kxi h LYS 52 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kxi h LYS 52 Cb 1.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3kxi h LYS 52 CO 0.12 0.12 -0.25 0.09 -2.27 0.00 0.00 179.45 177.26 3kxi n ASN 53 N -4.46 1.26 -4.50 4.20 3.02 -0.49 -4.87 115.26 109.43 3kxi n ASN 53 Ca 0.06 -1.13 -0.42 0.00 -0.03 0.00 0.00 54.58 53.06 3kxi n ASN 53 Cb 0.35 0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 3kxi n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kxi s ASP 54 N -1.50 6.30 0.31 6.41 -1.08 -0.03 -4.87 116.67 122.22 3kxi s ASP 54 Ca 0.09 -1.10 0.19 0.00 -0.52 0.00 0.00 52.55 51.22 3kxi s ASP 54 Cb 0.09 -2.48 1.06 0.00 -1.46 0.00 0.00 42.92 40.13 3kxi s ASP 54 CO 0.29 -1.50 1.58 -0.62 0.52 0.00 0.00 175.17 175.44 3kxi n GLU 55 N 8.18 0.13 0.00 4.34 1.02 -1.26 -0.99 120.64 132.06 3kxi n GLU 55 Ca 0.09 0.62 0.04 0.00 -0.02 0.00 0.00 57.16 57.90 3kxi n GLU 55 Cb 0.48 -1.97 0.27 0.00 -0.02 0.00 0.00 31.44 30.20 3kxi n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kxi n GLU 56 N -2.20 0.98 -3.93 3.49 1.02 -1.26 -4.73 120.64 114.01 3kxi n GLU 56 Ca -0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 3kxi n GLU 56 Cb 0.08 -1.14 -0.16 0.00 -0.02 0.00 0.00 31.44 30.20 3kxi n GLU 56 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kxi s ILE 57 N -2.00 1.35 0.01 -3.67 1.01 -0.16 -4.77 121.20 112.97 3kxi s ILE 57 Ca 0.13 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 60.06 3kxi s ILE 57 Cb 0.06 -1.50 -0.22 0.00 0.01 0.00 0.00 42.46 40.81 3kxi s ILE 57 CO 0.10 0.12 0.87 0.77 0.00 0.00 0.00 174.94 176.80 3kxi h SER 58 N 8.05 0.00 -3.70 3.58 4.64 -1.78 -3.48 113.55 120.86 3kxi h SER 58 Ca -0.25 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.83 3kxi h SER 58 Cb 1.10 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.90 3kxi h SER 58 CO 0.43 0.99 -0.72 -0.89 -0.87 0.00 0.00 176.83 175.77 3kxi s THR 59 N -2.64 -0.00 -0.26 2.95 2.01 -0.91 -2.63 115.64 114.16 3kxi s THR 59 Ca -0.03 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 3kxi s THR 59 Cb 0.09 -0.03 -0.03 0.00 0.01 0.00 0.00 72.50 72.54 3kxi s THR 59 CO 0.82 0.02 0.09 -0.22 -0.69 0.00 0.00 174.62 174.64 3kxi s LEU 60 N 0.19 3.58 -0.15 4.42 2.96 0.73 -1.22 118.68 129.19 3kxi s LEU 60 Ca -0.02 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 3kxi s LEU 60 Cb -0.02 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 3kxi s LEU 60 CO -0.01 -0.06 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.18 3kxi s ILE 61 N 1.62 2.68 -0.26 6.68 1.01 0.01 -0.09 121.20 132.85 3kxi s ILE 61 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3kxi s ILE 61 Cb -0.15 -2.13 0.05 0.00 0.01 0.00 0.00 42.46 40.23 3kxi s ILE 61 CO 0.04 0.52 -0.07 -0.63 0.00 0.00 0.00 174.94 174.80 3kxi s ILE 62 N 0.75 2.59 -1.40 2.92 1.01 0.80 -0.52 121.20 127.36 3kxi s ILE 62 Ca -0.06 -1.37 -0.10 0.00 0.00 0.00 0.00 60.65 59.12 3kxi s ILE 62 Cb -0.15 -2.43 -0.07 0.00 0.01 0.00 0.00 42.46 39.81 3kxi s ILE 62 CO 0.01 0.04 2.63 0.33 0.00 0.00 0.00 174.94 177.95 3kxi n PHE 63 N 4.56 2.24 -3.94 3.97 7.35 0.61 -2.19 117.46 130.06 3kxi n PHE 63 Ca -0.15 -2.75 -0.11 0.00 -0.76 0.00 0.00 57.45 53.69 3kxi n PHE 63 Cb 0.44 -2.26 -0.01 0.00 0.35 0.00 0.00 39.48 38.00 3kxi n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3kxi s GLU 64 N 2.70 2.01 -0.46 -4.13 0.41 -1.26 -4.81 118.70 113.16 3kxi s GLU 64 Ca 0.59 -1.51 -0.14 0.00 -0.41 0.00 0.00 54.97 53.50 3kxi s GLU 64 Cb 0.15 0.54 0.08 0.00 -1.78 0.00 0.00 34.13 33.12 3kxi s GLU 64 CO -0.05 -0.89 0.37 -1.14 -0.49 0.00 0.00 175.26 173.06 3kxi s GLN 65 N -2.89 2.88 0.41 1.61 0.74 -1.26 -0.10 119.66 121.04 3kxi s GLN 65 Ca 0.22 -1.41 -0.23 0.00 0.05 0.00 0.00 55.36 53.99 3kxi s GLN 65 Cb -0.03 -4.05 -0.10 0.00 1.10 0.00 0.00 33.01 29.93 3kxi s GLN 65 CO 0.14 -1.03 0.97 -0.51 -0.55 0.00 0.00 175.29 174.31 3kxi s LEU 66 N 1.58 4.06 0.41 3.68 1.43 -1.26 -5.04 118.68 123.54 3kxi s LEU 66 Ca 0.04 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 54.93 3kxi s LEU 66 Cb -0.24 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 41.58 3kxi s LEU 66 CO 0.05 -0.36 0.66 -1.59 0.23 0.00 0.00 176.35 175.34 3kxi s LYS 67 N -2.81 3.46 0.28 1.70 -2.85 -1.26 -4.93 119.74 113.32 3kxi s LYS 67 Ca 0.59 -0.13 -0.07 0.00 -1.00 0.00 0.00 55.97 55.36 3kxi s LYS 67 Cb -0.14 -2.53 0.49 0.00 -2.06 0.00 0.00 37.83 33.58 3kxi s LYS 67 CO 0.19 -0.05 1.57 -1.35 0.10 0.00 0.00 175.35 175.81 3kxi h PRO 68 N 0.49 0.01 -0.24 1.78 0.11 -1.95 0.16 132.00 132.35 3kxi h PRO 68 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3kxi h PRO 68 Cb 1.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3kxi h PRO 68 CO 0.61 0.00 0.10 0.07 -0.21 0.00 0.00 178.00 178.57 3kxi h ARG 69 N 0.01 0.33 0.15 1.05 0.11 -1.94 -1.03 114.38 113.05 3kxi h ARG 69 Ca 0.48 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.52 3kxi h ARG 69 Cb 0.79 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3kxi h ARG 69 CO -0.95 0.27 -0.07 0.45 0.10 0.00 0.00 179.97 179.77 3kxi h HIS 70 N 0.33 -0.19 -0.33 4.08 3.86 -0.90 -2.00 115.15 120.00 3kxi h HIS 70 Ca 0.08 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.35 3kxi h HIS 70 Cb 0.07 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 3kxi h HIS 70 CO 0.00 0.02 0.02 0.74 0.86 0.00 0.00 177.93 179.57 3kxi h PHE 71 N -0.37 0.02 -0.37 2.45 0.04 -1.21 0.68 116.94 118.17 3kxi h PHE 71 Ca -0.02 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.85 3kxi h PHE 71 Cb 0.30 0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.41 3kxi h PHE 71 CO -0.02 -0.04 -0.14 0.82 -0.60 0.00 0.00 178.31 178.34 3kxi h ILE 72 N 0.12 0.54 0.05 -0.55 2.04 -1.16 0.52 117.51 119.07 3kxi h ILE 72 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 3kxi h ILE 72 Cb 0.21 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3kxi h ILE 72 CO -0.25 0.00 -0.02 0.78 0.00 0.00 0.00 178.15 178.65 3kxi h ASN 73 N -0.06 -0.06 -0.70 1.72 -0.26 -0.95 -2.65 115.58 112.62 3kxi h ASN 73 Ca 0.18 -0.46 0.05 0.00 -0.56 0.00 0.00 56.30 55.52 3kxi h ASN 73 Cb 0.34 0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.57 3kxi h ASN 73 CO -0.41 0.44 0.46 0.40 -1.06 0.00 0.00 177.43 177.26 3kxi h ILE 74 N -0.57 1.06 -0.59 2.81 2.04 -0.78 -1.49 117.51 119.99 3kxi h ILE 74 Ca -0.01 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 3kxi h ILE 74 Cb 0.51 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3kxi h ILE 74 CO 0.01 0.14 0.07 0.03 0.00 0.00 0.00 178.15 178.40 3kxi h ARG 75 N 0.78 0.99 0.26 2.37 3.08 -0.89 -1.52 114.38 119.45 3kxi h ARG 75 Ca 0.29 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kxi h ARG 75 Cb 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3kxi h ARG 75 CO -0.09 0.95 -0.23 -0.09 -1.07 0.00 0.00 179.97 179.45 3kxi h ARG 76 N 0.89 -0.48 0.00 0.04 2.43 -0.92 -2.57 114.38 113.76 3kxi h ARG 76 Ca 0.18 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3kxi h ARG 76 Cb 0.46 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3kxi h ARG 76 CO 0.02 -0.32 0.00 0.39 -1.51 0.00 0.00 179.97 178.54 3kxi n GLU 77 N -5.35 0.05 -3.15 0.20 -0.58 -0.77 -3.50 120.64 107.55 3kxi n GLU 77 Ca -0.09 0.30 -0.26 0.00 -0.42 0.00 0.00 57.16 56.70 3kxi n GLU 77 Cb 0.26 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.47 3kxi n GLU 77 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kxi n LEU 78 N -1.70 3.49 -4.63 -4.62 4.77 -0.58 -4.86 117.00 108.88 3kxi n LEU 78 Ca 0.03 -5.45 -0.43 0.00 -0.03 0.00 0.00 56.01 50.13 3kxi n LEU 78 Cb 0.18 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3kxi n LEU 78 CO 0.15 2.23 1.70 -0.54 -1.33 0.00 0.00 177.39 179.60 3kxi s LYS 79 N -2.84 3.57 0.00 3.23 1.02 -1.21 -2.83 119.74 120.68 3kxi s LYS 79 Ca 0.44 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.62 3kxi s LYS 79 Cb 0.23 -4.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.29 3kxi s LYS 79 CO -0.09 -1.59 0.00 0.41 -0.92 0.00 0.00 175.35 173.16 3kxi n GLY 80 N 5.19 3.05 3.74 -3.33 0.00 -1.26 -5.04 105.19 107.55 3kxi n GLY 80 Ca 0.25 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 3kxi n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxi s LYS 81 N 0.00 4.61 0.18 1.61 1.02 -1.13 -5.03 119.74 121.00 3kxi s LYS 81 Ca 0.00 1.75 -0.15 0.00 0.02 0.00 0.00 55.97 57.58 3kxi s LYS 81 Cb 0.00 -3.25 -0.07 0.00 -0.52 0.00 0.00 37.83 33.99 3kxi s LYS 81 CO 0.00 0.12 0.60 -2.00 -0.92 0.00 0.00 175.35 173.15 3kxi s GLU 82 N -0.72 4.03 -0.14 1.68 2.12 -1.08 -4.87 118.70 119.72 3kxi s GLU 82 Ca 0.48 0.58 0.01 0.00 0.36 0.00 0.00 54.97 56.39 3kxi s GLU 82 Cb -0.30 -2.88 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 3kxi s GLU 82 CO 0.37 0.43 -0.17 0.54 -0.54 0.00 0.00 175.26 175.89 3kxi s VAL 83 N -1.52 2.55 -0.13 3.70 0.11 -1.26 -0.19 120.40 123.65 3kxi s VAL 83 Ca 0.40 -0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 58.62 3kxi s VAL 83 Cb -0.15 -2.06 -0.02 0.00 -1.53 0.00 0.00 36.38 32.62 3kxi s VAL 83 CO 0.20 0.53 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.65 3kxi s LEU 84 N 0.70 3.02 0.00 2.54 1.43 0.88 -4.97 118.68 122.27 3kxi s LEU 84 Ca -0.08 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3kxi s LEU 84 Cb -0.16 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3kxi s LEU 84 CO 0.01 0.19 0.34 -0.90 0.23 0.00 0.00 176.35 176.23 3kxi n ASP 85 N 3.37 0.75 -0.15 2.29 5.75 -1.26 -0.14 116.55 127.17 3kxi n ASP 85 Ca -0.18 -1.57 -0.04 0.00 -0.01 0.00 0.00 54.79 53.00 3kxi n ASP 85 Cb 0.53 -0.20 0.05 0.00 -1.03 0.00 0.00 41.12 40.47 3kxi n ASP 85 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3kxi h LYS 86 N 0.00 0.31 0.52 0.11 3.64 -0.01 -1.13 116.57 120.00 3kxi h LYS 86 Ca -0.12 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3kxi h LYS 86 Cb 0.50 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3kxi h LYS 86 CO 0.15 0.20 -0.41 0.82 -2.27 0.00 0.00 179.45 177.94 3kxi h ILE 87 N 0.32 0.17 -0.54 2.00 1.08 -1.91 -1.76 117.51 116.86 3kxi h ILE 87 Ca 0.22 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.72 3kxi h ILE 87 Cb 0.24 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 3kxi h ILE 87 CO -0.24 0.00 0.36 -0.07 -0.69 0.00 0.00 178.15 177.51 3kxi h LEU 88 N -0.92 0.54 0.58 1.44 3.38 -1.90 -1.16 115.31 117.26 3kxi h LEU 88 Ca -0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3kxi h LEU 88 Cb 0.78 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.41 3kxi h LEU 88 CO -0.00 0.37 -0.28 0.25 0.09 0.00 0.00 178.44 178.88 3kxi h LEU 89 N 0.63 -0.65 -0.71 1.67 5.85 -0.82 -0.98 115.31 120.30 3kxi h LEU 89 Ca 0.22 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.99 3kxi h LEU 89 Cb 0.08 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3kxi h LEU 89 CO -0.06 -0.45 0.43 -0.07 -0.34 0.00 0.00 178.44 177.95 3kxi h LEU 90 N -0.80 0.67 -1.30 2.25 3.38 -1.02 -1.67 115.31 116.80 3kxi h LEU 90 Ca -0.08 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kxi h LEU 90 Cb 0.61 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3kxi h LEU 90 CO 0.13 0.44 0.50 -0.07 0.09 0.00 0.00 178.44 179.53 3kxi h LEU 91 N 0.80 0.77 -0.81 1.67 3.38 -1.06 0.58 115.31 120.65 3kxi h LEU 91 Ca 0.30 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 3kxi h LEU 91 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kxi h LEU 91 CO -0.15 0.52 -0.24 -0.33 0.09 0.00 0.00 178.44 178.34 3kxi h GLU 92 N 0.89 0.63 -0.18 1.13 5.08 -0.30 -1.60 114.58 120.24 3kxi h GLU 92 Ca 0.31 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3kxi h GLU 92 Cb 0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3kxi h GLU 92 CO -0.09 0.82 0.06 0.82 -1.00 0.00 0.00 179.01 179.62 3kxi h ILE 93 N 0.55 1.17 -0.69 3.13 2.04 -0.27 -2.30 117.51 121.14 3kxi h ILE 93 Ca 0.08 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3kxi h ILE 93 Cb 0.71 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3kxi h ILE 93 CO 0.05 0.17 0.45 -0.26 0.00 0.00 0.00 178.15 178.57 3kxi h PHE 94 N 0.12 0.87 -0.76 1.37 0.04 -0.78 -1.84 116.94 115.96 3kxi h PHE 94 Ca 0.06 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.92 3kxi h PHE 94 Cb 0.21 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.00 3kxi h PHE 94 CO -0.00 0.56 0.44 0.00 -0.60 0.00 0.00 178.31 178.70 3kxi h ALA 95 N 1.25 1.05 0.00 2.45 0.00 -1.15 0.39 119.26 123.25 3kxi h ALA 95 Ca 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kxi h ALA 95 Cb -0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kxi h ALA 95 CO -0.05 0.12 -0.02 -0.07 0.00 0.00 0.00 179.25 179.22 3kxi h LEU 96 N 0.79 0.00 0.00 0.00 3.38 -0.76 -3.25 115.31 115.47 3kxi h LEU 96 Ca 0.35 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.10 3kxi h LEU 96 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3kxi h LEU 96 CO -0.20 0.02 -1.82 1.41 0.09 0.00 0.00 178.44 177.94 3kxi n HIS 97 N -3.47 0.00 -1.84 1.13 8.25 -0.23 -4.98 115.22 114.08 3kxi n HIS 97 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3kxi n HIS 97 Cb 0.12 -0.58 -0.03 0.00 1.12 0.00 0.00 29.99 30.62 3kxi n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kxi s ALA 98 N -2.29 3.54 -0.17 -1.41 0.00 0.12 -4.86 121.76 116.70 3kxi s ALA 98 Ca -0.07 1.09 0.17 0.00 0.00 0.00 0.00 51.96 53.14 3kxi s ALA 98 Cb 0.04 -3.81 -0.23 0.00 0.00 0.00 0.00 23.12 19.11 3kxi s ALA 98 CO 0.47 -1.58 0.10 0.41 0.00 0.00 0.00 175.76 175.16 3kxi n GLY 99 N 4.43 -0.91 3.73 0.00 0.00 -1.26 -4.87 105.19 106.32 3kxi n GLY 99 Ca 0.19 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3kxi n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxi s SER 100 N -5.16 7.42 0.29 1.61 1.04 -1.26 -4.95 113.70 112.69 3kxi s SER 100 Ca -0.09 1.70 0.04 0.00 0.48 0.00 0.00 55.95 58.08 3kxi s SER 100 Cb 0.06 -2.55 0.74 0.00 0.10 0.00 0.00 66.02 64.37 3kxi s SER 100 CO 0.76 -0.04 1.71 0.50 0.98 0.00 0.00 173.24 177.15 3kxi h LYS 101 N 5.57 0.43 -0.66 4.02 3.64 -1.98 0.12 116.57 127.71 3kxi h LYS 101 Ca -0.43 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 3kxi h LYS 101 Cb 1.21 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3kxi h LYS 101 CO 0.71 0.28 0.44 1.49 -2.27 0.00 0.00 179.45 180.11 3kxi h GLU 102 N 0.44 0.87 -0.49 1.90 4.81 -1.99 0.19 114.58 120.31 3kxi h GLU 102 Ca 0.57 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.63 3kxi h GLU 102 Cb 1.06 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3kxi h GLU 102 CO -0.51 0.58 -0.15 0.00 -0.73 0.00 0.00 179.01 178.20 3kxi h ALA 103 N 1.24 0.68 -0.88 2.92 0.00 -1.51 -1.80 119.26 119.92 3kxi h ALA 103 Ca 0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kxi h ALA 103 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3kxi h ALA 103 CO -0.05 0.62 0.49 0.87 0.00 0.00 0.00 179.25 181.17 3kxi h LYS 104 N 0.83 1.22 -0.23 0.00 1.57 -0.32 -2.19 116.57 117.45 3kxi h LYS 104 Ca 0.12 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3kxi h LYS 104 Cb 0.71 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3kxi h LYS 104 CO 0.05 0.89 -0.33 0.52 -0.57 0.00 0.00 179.45 180.01 3kxi h MET 105 N 1.23 0.49 -0.19 3.15 2.86 -0.42 -1.55 114.93 120.50 3kxi h MET 105 Ca 0.31 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 3kxi h MET 105 Cb 0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3kxi h MET 105 CO -0.05 0.76 -0.22 1.96 1.06 0.00 0.00 176.91 180.42 3kxi h GLN 106 N 0.42 0.33 0.00 1.72 1.08 -0.91 -1.11 115.11 116.65 3kxi h GLN 106 Ca 0.05 -0.11 -0.18 0.00 -1.45 0.00 0.00 58.65 56.96 3kxi h GLN 106 Cb 0.78 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.20 3kxi h GLN 106 CO 0.06 0.54 -0.70 0.82 -0.95 0.00 0.00 178.83 178.61 3kxi h ILE 107 N 0.30 1.40 0.14 2.54 2.04 -1.11 -2.55 117.51 120.28 3kxi h ILE 107 Ca 0.05 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 3kxi h ILE 107 Cb 0.57 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 3kxi h ILE 107 CO 0.04 0.63 -0.07 -0.08 0.00 0.00 0.00 178.15 178.67 3kxi h GLU 108 N -0.00 -0.19 -0.61 2.37 4.81 -1.21 -1.36 114.58 118.38 3kxi h GLU 108 Ca -0.09 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.28 3kxi h GLU 108 Cb 1.40 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.70 3kxi h GLU 108 CO 0.14 -0.10 -0.21 1.25 -0.73 0.00 0.00 179.01 179.36 3kxi h LEU 109 N -0.22 -0.74 -0.71 1.64 5.85 -1.26 -0.23 115.31 119.64 3kxi h LEU 109 Ca -0.02 0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 3kxi h LEU 109 Cb 0.17 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3kxi h LEU 109 CO 0.03 -0.24 -0.07 0.00 -0.34 0.00 0.00 178.44 177.82 3kxi h ALA 110 N 1.45 0.91 -0.62 1.25 0.00 -1.22 -0.60 119.26 120.44 3kxi h ALA 110 Ca 0.29 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3kxi h ALA 110 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kxi h ALA 110 CO -0.66 0.64 0.21 0.00 0.00 0.00 0.00 179.25 179.44 3kxi h ARG 111 N 0.83 0.95 -0.08 0.00 3.08 -0.59 -0.10 114.38 118.46 3kxi h ARG 111 Ca 0.14 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3kxi h ARG 111 Cb 0.60 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3kxi h ARG 111 CO 0.04 0.83 0.03 -0.07 -1.07 0.00 0.00 179.97 179.73 3kxi h LEU 112 N 0.88 0.11 -2.37 3.04 3.38 -0.81 -0.69 115.31 118.85 3kxi h LEU 112 Ca 0.20 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kxi h LEU 112 Cb 0.27 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kxi h LEU 112 CO -0.01 0.26 -0.02 0.11 0.09 0.00 0.00 178.44 178.87 3kxi h LYS 113 N -0.05 0.00 0.00 1.13 1.57 -0.90 0.28 116.57 118.60 3kxi h LYS 113 Ca 0.03 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 3kxi h LYS 113 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3kxi h LYS 113 CO -0.00 0.02 -1.32 -0.92 -0.57 0.00 0.00 179.45 176.65 3kxi h TYR 114 N 0.00 0.00 0.21 -1.35 3.20 -0.43 -3.34 116.97 115.26 3kxi h TYR 114 Ca -0.00 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.53 3kxi h TYR 114 Cb 0.20 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.49 3kxi h TYR 114 CO 0.00 0.63 -1.63 0.93 -1.64 0.00 0.00 178.16 176.46 3kxi h GLU 115 N 0.00 0.45 -1.00 1.82 4.39 -0.37 -3.37 114.58 116.51 3kxi h GLU 115 Ca -0.15 -0.77 0.18 0.00 0.34 0.00 0.00 59.36 58.96 3kxi h GLU 115 Cb 1.62 0.29 -0.18 0.00 -0.10 0.00 0.00 28.75 30.37 3kxi h GLU 115 CO 0.06 1.36 -0.29 -0.11 -1.16 0.00 0.00 179.01 178.86 3kxi n LEU 116 N -3.64 -0.45 -0.14 1.33 7.94 0.91 -0.66 117.00 122.29 3kxi n LEU 116 Ca -0.21 1.72 -0.11 0.00 -1.11 0.00 0.00 56.01 56.30 3kxi n LEU 116 Cb 1.09 -0.48 -0.02 0.00 0.53 0.00 0.00 43.42 44.54 3kxi n LEU 116 CO 0.55 -1.62 0.74 -0.65 -1.11 0.00 0.00 177.39 175.30 3kxi h PRO 117 N 0.00 0.75 -0.86 1.96 0.11 -1.73 0.29 132.00 132.52 3kxi h PRO 117 Ca 0.44 -0.28 0.05 0.00 0.11 0.00 0.00 66.00 66.32 3kxi h PRO 117 Cb 0.69 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.69 3kxi h PRO 117 CO -1.02 0.88 0.56 0.82 -0.21 0.00 0.00 178.00 179.03 3kxi h ILE 118 N 0.57 1.10 0.16 4.15 2.04 -1.04 0.11 117.51 124.60 3kxi h ILE 118 Ca 0.10 -0.35 -0.31 0.00 1.00 0.00 0.00 64.86 65.31 3kxi h ILE 118 Cb 0.59 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3kxi h ILE 118 CO 0.03 0.19 -1.42 0.40 0.00 0.00 0.00 178.15 177.35 3kxi h ILE 119 N 1.02 1.32 -0.73 -0.67 2.04 -0.71 -3.32 117.51 116.45 3kxi h ILE 119 Ca 0.35 -2.86 -0.03 0.00 1.00 0.00 0.00 64.86 63.32 3kxi h ILE 119 Cb 0.12 2.92 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 3kxi h ILE 119 CO -0.12 0.85 0.35 0.11 0.00 0.00 0.00 178.15 179.34 3kxi h LYS 120 N 0.10 1.05 -0.30 2.37 1.57 0.13 -2.79 116.57 118.69 3kxi h LYS 120 Ca -0.21 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.49 3kxi h LYS 120 Cb 2.05 -0.19 -0.08 0.00 0.08 0.00 0.00 32.23 34.08 3kxi h LYS 120 CO 0.21 0.81 -0.30 1.49 -0.57 0.00 0.00 179.45 181.09 3kxi h GLU 121 N 1.04 -0.27 0.00 3.15 4.81 -1.08 -3.51 114.58 118.72 3kxi h GLU 121 Ca 0.25 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3kxi h GLU 121 Cb 0.11 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3kxi h GLU 121 CO -0.03 -0.18 0.00 2.41 -0.73 0.00 0.00 179.01 180.48 3kxi n THR 122 N -5.40 0.00 0.00 0.32 -1.04 -1.06 -5.14 114.28 101.96 3kxi n THR 122 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kxi n THR 122 Cb 0.32 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 3kxi n THR 122 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kxi n VAL 142 N 0.00 0.00 -0.11 12.58 0.31 -1.26 -5.13 118.33 124.73 3kxi n VAL 142 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3kxi n VAL 142 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kxi n VAL 142 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kxi h GLU 143 N 0.00 0.41 -0.80 5.55 5.08 -1.98 0.71 114.58 123.55 3kxi h GLU 143 Ca 0.00 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3kxi h GLU 143 Cb 0.00 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3kxi h GLU 143 CO 0.00 0.27 0.52 0.77 -1.00 0.00 0.00 179.01 179.58 3kxi h SER 144 N 0.43 0.69 -0.12 1.42 0.02 -2.05 0.25 113.55 114.18 3kxi h SER 144 Ca 0.14 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3kxi h SER 144 Cb -0.00 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3kxi h SER 144 CO -0.06 0.42 -0.07 0.74 -1.14 0.00 0.00 176.83 176.71 3kxi h THR 145 N 0.77 1.33 0.05 -2.27 2.02 -1.81 -2.00 112.91 111.00 3kxi h THR 145 Ca 0.36 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3kxi h THR 145 Cb 0.40 1.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 3kxi h THR 145 CO -0.14 0.33 -0.33 0.40 0.37 0.00 0.00 175.52 176.15 3kxi h ILE 146 N -0.09 0.30 -0.96 3.11 1.08 0.13 0.83 117.51 121.91 3kxi h ILE 146 Ca 0.03 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.69 3kxi h ILE 146 Cb 0.55 0.30 -0.11 0.00 -3.07 0.00 0.00 36.82 34.49 3kxi h ILE 146 CO 0.02 0.00 0.55 0.11 -0.69 0.00 0.00 178.15 178.14 3kxi h LYS 147 N -0.51 0.66 0.10 2.37 1.57 -0.57 0.00 116.57 120.19 3kxi h LYS 147 Ca 0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kxi h LYS 147 Cb 0.57 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3kxi h LYS 147 CO -0.24 0.44 -0.05 0.35 -0.57 0.00 0.00 179.45 179.38 3kxi h PHE 148 N 0.68 -0.13 -0.68 -1.35 3.57 -0.55 -1.45 116.94 117.04 3kxi h PHE 148 Ca 0.56 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.18 3kxi h PHE 148 Cb 0.90 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 3kxi h PHE 148 CO -0.04 0.18 0.25 1.88 -2.23 0.00 0.00 178.31 178.35 3kxi h TYR 149 N -0.44 0.42 -0.04 0.41 -1.99 -0.05 0.51 116.97 115.79 3kxi h TYR 149 Ca -0.01 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.76 3kxi h TYR 149 Cb 0.37 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 3kxi h TYR 149 CO 0.03 0.06 -0.04 0.87 -0.00 0.00 0.00 178.16 179.08 3kxi h LYS 150 N 0.41 -0.06 -0.69 4.88 1.57 -0.91 0.68 116.57 122.44 3kxi h LYS 150 Ca 0.36 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.15 3kxi h LYS 150 Cb 0.51 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3kxi h LYS 150 CO -0.37 -0.04 0.46 0.00 -0.57 0.00 0.00 179.45 178.93 3kxi h ARG 151 N -0.06 0.92 -0.04 3.15 3.08 -0.45 -1.67 114.38 119.30 3kxi h ARG 151 Ca 0.03 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 3kxi h ARG 151 Cb 0.11 -0.21 0.02 0.00 0.08 0.00 0.00 29.97 29.97 3kxi h ARG 151 CO -0.08 0.61 -0.93 -0.09 -1.07 0.00 0.00 179.97 178.41 3kxi h ARG 152 N 0.94 0.71 -0.58 0.04 9.65 -0.60 -2.05 114.38 122.50 3kxi h ARG 152 Ca 0.25 -0.70 0.03 0.00 -1.10 0.00 0.00 59.98 58.46 3kxi h ARG 152 Cb -0.10 0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 3kxi h ARG 152 CO -0.05 1.29 0.35 0.82 2.80 0.00 0.00 179.97 185.18 3kxi h ILE 153 N 0.39 1.07 -0.40 1.20 2.04 -0.61 -0.29 117.51 120.92 3kxi h ILE 153 Ca -0.10 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3kxi h ILE 153 Cb 1.58 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3kxi h ILE 153 CO 0.19 0.13 0.12 0.78 0.00 0.00 0.00 178.15 179.36 3kxi h ASN 154 N 0.69 0.58 -0.46 1.72 2.35 -1.31 -1.60 115.58 117.54 3kxi h ASN 154 Ca 0.23 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3kxi h ASN 154 Cb 0.02 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3kxi h ASN 154 CO -0.10 0.63 0.27 0.50 -1.65 0.00 0.00 177.43 177.08 3kxi h LYS 155 N 0.50 0.64 -0.62 0.81 3.64 -1.10 -1.03 116.57 119.40 3kxi h LYS 155 Ca 0.13 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3kxi h LYS 155 Cb 0.26 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3kxi h LYS 155 CO -0.00 0.49 0.36 -0.07 -2.27 0.00 0.00 179.45 177.95 3kxi h LEU 156 N 0.61 0.76 -0.77 5.20 3.38 -0.94 0.00 115.31 123.56 3kxi h LEU 156 Ca 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3kxi h LEU 156 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3kxi h LEU 156 CO -0.03 0.62 0.34 0.24 0.09 0.00 0.00 178.44 179.70 3kxi h MET 157 N 0.85 1.14 -0.64 1.13 2.86 -1.02 0.13 114.93 119.38 3kxi h MET 157 Ca 0.22 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 3kxi h MET 157 Cb 0.01 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 3kxi h MET 157 CO -0.04 0.91 0.09 0.87 1.06 0.00 0.00 176.91 179.80 3kxi h LYS 158 N 1.11 1.06 -0.01 1.72 1.57 -0.80 0.39 116.57 121.62 3kxi h LYS 158 Ca 0.26 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kxi h LYS 158 Cb 0.17 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kxi h LYS 158 CO -0.03 0.99 0.00 0.93 -0.57 0.00 0.00 179.45 180.78 3kxi h GLU 159 N 0.98 0.01 -0.79 3.15 4.39 -0.57 -0.57 114.58 121.17 3kxi h GLU 159 Ca 0.19 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 3kxi h GLU 159 Cb 0.46 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 3kxi h GLU 159 CO 0.02 0.02 0.39 -0.07 -1.16 0.00 0.00 179.01 178.21 3kxi h LEU 160 N -0.01 1.03 -0.94 1.33 3.38 -0.56 -1.84 115.31 117.70 3kxi h LEU 160 Ca 0.00 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kxi h LEU 160 Cb 0.02 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3kxi h LEU 160 CO -0.00 0.87 0.61 -0.08 0.09 0.00 0.00 178.44 179.93 3kxi h GLU 161 N 1.11 1.18 0.00 1.13 4.57 0.07 -1.38 114.58 121.26 3kxi h GLU 161 Ca 0.27 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 58.21 3kxi h GLU 161 Cb 0.11 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 3kxi h GLU 161 CO -0.04 0.78 -0.82 0.66 -1.18 0.00 0.00 179.01 178.42 3kxi h SER 162 N 1.21 0.07 -0.27 1.04 4.64 -0.79 -2.27 113.55 117.19 3kxi h SER 162 Ca 0.36 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 3kxi h SER 162 Cb -0.05 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3kxi h SER 162 CO -0.11 0.85 0.13 0.40 -0.87 0.00 0.00 176.83 177.24 3kxi h ILE 163 N 0.03 1.14 -0.62 0.95 2.04 -0.98 0.10 117.51 120.17 3kxi h ILE 163 Ca -0.02 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.53 3kxi h ILE 163 Cb 1.43 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.36 3kxi h ILE 163 CO 0.11 0.14 0.25 0.50 0.00 0.00 0.00 178.15 179.15 3kxi h LYS 164 N 0.30 0.42 -0.13 2.37 3.64 -1.16 -0.55 116.57 121.47 3kxi h LYS 164 Ca 0.09 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3kxi h LYS 164 Cb 0.11 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kxi h LYS 164 CO -0.01 0.28 0.03 0.82 -2.27 0.00 0.00 179.45 178.30 3kxi h ILE 165 N 0.44 1.20 -0.75 2.00 2.04 -1.18 -2.87 117.51 118.38 3kxi h ILE 165 Ca 0.31 -0.61 0.16 0.00 1.00 0.00 0.00 64.86 65.72 3kxi h ILE 165 Cb 0.36 1.36 -0.11 0.00 -0.74 0.00 0.00 36.82 37.69 3kxi h ILE 165 CO -0.29 0.18 0.21 0.15 0.00 0.00 0.00 178.15 178.40 3kxi h PHE 166 N 0.01 0.34 -0.39 1.37 3.57 -0.25 -2.04 116.94 119.55 3kxi h PHE 166 Ca 0.04 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3kxi h PHE 166 Cb 0.25 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3kxi h PHE 166 CO 0.01 -0.06 0.22 0.87 -2.23 0.00 0.00 178.31 177.12 3kxi h LYS 167 N 0.31 0.54 -0.05 1.11 1.57 -0.91 -1.64 116.57 117.49 3kxi h LYS 167 Ca 0.43 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.05 3kxi h LYS 167 Cb 0.73 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3kxi h LYS 167 CO -0.50 0.42 -0.42 0.93 -0.57 0.00 0.00 179.45 179.31 3kxi h GLU 168 N 0.51 0.11 -0.35 3.15 5.08 -1.28 -2.83 114.58 118.98 3kxi h GLU 168 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kxi h GLU 168 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3kxi h GLU 168 CO -0.02 0.52 0.00 1.17 -1.00 0.00 0.00 179.01 179.68 3kxi n LYS 169 N -4.02 1.91 -4.43 2.33 4.81 -0.80 -4.89 118.16 113.07 3kxi n LYS 169 Ca -0.02 -1.40 -0.21 0.00 -0.87 0.00 0.00 58.31 55.81 3kxi n LYS 169 Cb 0.47 -1.34 -0.10 0.00 0.02 0.00 0.00 35.03 34.07 3kxi n LYS 169 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3kxi s SER 170 N -1.16 2.52 0.23 3.14 1.04 -0.65 -5.04 113.70 113.78 3kxi s SER 170 Ca 0.29 -1.28 0.04 0.00 0.48 0.00 0.00 55.95 55.48 3kxi s SER 170 Cb 0.15 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 3kxi s SER 170 CO 0.21 -0.49 0.36 -0.63 0.98 0.00 0.00 173.24 173.67 3kxi s ILE 171 N -3.18 5.26 -0.95 -1.02 1.01 -1.26 -4.92 121.20 116.15 3kxi s ILE 171 Ca 0.33 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 3kxi s ILE 171 Cb 0.06 -3.84 -0.15 0.00 0.01 0.00 0.00 42.46 38.54 3kxi s ILE 171 CO 0.13 -0.31 2.20 -1.61 0.00 0.00 0.00 174.94 175.36 3kxi s GLU 172 N -3.88 1.65 0.03 2.79 2.02 -1.26 -4.81 118.70 115.24 3kxi s GLU 172 Ca 0.34 -0.09 -0.23 0.00 0.02 0.00 0.00 54.97 55.01 3kxi s GLU 172 Cb -0.09 -4.93 -0.12 0.00 0.10 0.00 0.00 34.13 29.08 3kxi s GLU 172 CO 0.29 -4.65 1.32 0.66 0.02 0.00 0.00 175.26 172.90 3kxi h SER 173 N 11.84 -0.69 -6.35 -0.19 4.64 -2.01 -3.48 113.55 117.32 3kxi h SER 173 Ca 0.04 0.02 -0.35 0.00 -0.47 0.00 0.00 61.79 61.03 3kxi h SER 173 Cb 0.99 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3kxi h SER 173 CO 1.06 -0.49 -0.78 0.59 -0.87 0.00 0.00 176.83 176.33 3kxi n ASN 174 N -4.21 -5.69 -4.29 4.97 3.02 -1.26 -4.90 115.26 102.90 3kxi n ASN 174 Ca -0.10 -0.72 -0.33 0.00 -0.03 0.00 0.00 54.58 53.39 3kxi n ASN 174 Cb 0.32 -2.74 0.13 0.00 -0.61 0.00 0.00 39.78 36.88 3kxi n ASN 174 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kxi n LYS 175 N -2.45 -0.75 -2.21 3.52 5.02 -1.26 -5.01 118.16 115.02 3kxi n LYS 175 Ca -0.22 -0.19 -0.19 0.00 -2.02 0.00 0.00 58.31 55.68 3kxi n LYS 175 Cb 0.64 -1.65 0.10 0.00 -0.02 0.00 0.00 35.03 34.10 3kxi n LYS 175 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kxi n ARG 176 N -1.14 -0.04 -3.89 1.97 1.74 -1.26 -5.13 116.66 108.92 3kxi n ARG 176 Ca 0.03 -2.24 -0.12 0.00 -0.77 0.00 0.00 57.85 54.74 3kxi n ARG 176 Cb 0.59 -0.58 -0.14 0.00 -1.02 0.00 0.00 32.46 31.31 3kxi n ARG 176 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3kxi s ASN 177 N -4.42 0.05 0.17 0.55 0.01 -1.26 -5.03 114.94 105.01 3kxi s ASN 177 Ca 0.56 -0.01 -0.17 0.00 -0.71 0.00 0.00 52.86 52.53 3kxi s ASN 177 Cb -0.03 -0.01 0.10 0.00 0.41 0.00 0.00 41.25 41.72 3kxi s ASN 177 CO 0.37 0.00 1.68 -1.13 -1.51 0.00 0.00 177.10 176.51 3kxi h ASN 178 N 6.17 -0.31 -3.85 -1.22 -1.24 -2.03 -3.41 115.58 109.69 3kxi h ASN 178 Ca -0.25 0.11 -0.68 0.00 0.71 0.00 0.00 56.30 56.19 3kxi h ASN 178 Cb 1.21 0.22 -0.24 0.00 0.73 0.00 0.00 38.32 40.24 3kxi h ASN 178 CO 0.51 -0.11 -0.77 -0.63 -1.29 0.00 0.00 177.43 175.14 3kxi s ILE 179 N -6.21 3.05 0.21 2.57 1.01 -1.26 -5.09 121.20 115.49 3kxi s ILE 179 Ca -0.14 -0.71 -0.32 0.00 0.00 0.00 0.00 60.65 59.48 3kxi s ILE 179 Cb 0.14 -2.21 -0.13 0.00 0.01 0.00 0.00 42.46 40.27 3kxi s ILE 179 CO 0.71 0.57 1.61 -2.65 0.00 0.00 0.00 174.94 175.18 3kxi n PRO 180 N 2.63 2.45 -4.29 2.79 -0.02 -1.26 -4.66 135.00 132.63 3kxi n PRO 180 Ca -0.17 0.88 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 3kxi n PRO 180 Cb 0.52 -2.66 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 3kxi n PRO 180 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kxi s SER 181 N 0.85 4.74 -0.30 2.55 1.04 -1.26 -0.81 113.70 120.51 3kxi s SER 181 Ca 0.73 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 3kxi s SER 181 Cb -0.58 -1.78 0.05 0.00 0.10 0.00 0.00 66.02 63.80 3kxi s SER 181 CO 0.39 0.13 0.00 -0.63 0.98 0.00 0.00 173.24 174.11 3kxi s ILE 182 N 0.61 3.04 0.01 -1.02 1.01 0.61 -0.94 121.20 124.52 3kxi s ILE 182 Ca -0.02 -1.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.04 3kxi s ILE 182 Cb -0.14 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 3kxi s ILE 182 CO 0.02 -0.08 0.80 -0.83 0.00 0.00 0.00 174.94 174.86 3kxi s GLY 183 N 1.27 2.79 -0.29 6.18 0.00 -0.73 -2.55 107.32 113.98 3kxi s GLY 183 Ca -0.05 0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.82 3kxi s GLY 183 CO -0.01 1.26 0.48 -0.42 0.00 0.00 0.00 173.10 174.41 3kxi s ILE 184 N 0.38 5.07 0.35 0.90 1.01 0.07 -1.14 121.20 127.84 3kxi s ILE 184 Ca 0.41 0.64 0.06 0.00 0.00 0.00 0.00 60.65 61.77 3kxi s ILE 184 Cb -0.20 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 3kxi s ILE 184 CO 0.23 0.00 -0.01 0.68 0.00 0.00 0.00 174.94 175.85 3kxi s VAL 185 N 2.29 1.74 0.00 2.92 -7.23 -0.13 -2.53 120.40 117.45 3kxi s VAL 185 Ca 0.19 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 3kxi s VAL 185 Cb -0.16 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.01 3kxi s VAL 185 CO 0.11 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 3kxi n GLY 186 N -0.78 3.89 3.69 2.32 0.00 -1.26 -0.52 105.19 112.53 3kxi n GLY 186 Ca -0.04 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 3kxi n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxi s TYR 187 N -2.00 1.98 0.36 1.61 1.51 -1.26 -1.21 117.35 118.33 3kxi s TYR 187 Ca 0.00 1.61 -0.27 0.00 -1.01 0.00 0.00 57.07 57.40 3kxi s TYR 187 Cb 0.00 -3.21 -0.09 0.00 -0.11 0.00 0.00 41.96 38.55 3kxi s TYR 187 CO 0.00 -2.53 1.25 0.95 -1.11 0.00 0.00 175.55 174.11 3kxi s THR 188 N -2.75 2.87 0.00 -0.71 -4.23 -1.01 -1.96 115.64 107.85 3kxi s THR 188 Ca 0.65 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 3kxi s THR 188 Cb -0.21 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.14 3kxi s THR 188 CO 0.58 0.15 0.00 -3.20 -0.54 0.00 0.00 174.62 171.60 3kxi n ASN 189 N 0.47 -3.01 0.15 3.99 5.15 -1.26 -4.86 115.26 115.89 3kxi n ASN 189 Ca 0.02 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.03 3kxi n ASN 189 Cb 0.44 -1.36 0.07 0.00 -0.53 0.00 0.00 39.78 38.40 3kxi n ASN 189 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3kxi h SER 190 N 0.00 0.00 0.00 1.20 4.64 -1.75 -3.48 113.55 114.16 3kxi h SER 190 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kxi h SER 190 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3kxi h SER 190 CO 0.00 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 3kxi n GLY 191 N 1.08 1.67 0.41 -0.77 0.00 -1.26 -4.50 105.19 101.81 3kxi n GLY 191 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3kxi n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxi h LYS 192 N 0.21 -0.40 0.31 1.61 1.57 -1.90 -0.08 116.57 117.88 3kxi h LYS 192 Ca 0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3kxi h LYS 192 Cb 0.00 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kxi h LYS 192 CO 0.00 -0.27 -0.15 1.15 -0.57 0.00 0.00 179.45 179.61 3kxi h THR 193 N -0.42 0.71 -0.86 -0.16 2.02 -1.95 -1.39 112.91 110.87 3kxi h THR 193 Ca 0.10 -0.19 0.22 0.00 0.77 0.00 0.00 66.41 67.31 3kxi h THR 193 Cb 0.61 0.82 -0.13 0.00 -1.74 0.00 0.00 68.15 67.70 3kxi h THR 193 CO -0.50 0.04 0.26 0.28 0.37 0.00 0.00 175.52 175.97 3kxi h SER 194 N -0.52 0.08 0.08 4.18 0.02 -1.89 0.18 113.55 115.67 3kxi h SER 194 Ca -0.04 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3kxi h SER 194 Cb 0.39 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3kxi h SER 194 CO 0.07 -0.10 -0.04 0.25 -1.14 0.00 0.00 176.83 175.87 3kxi h LEU 195 N 0.26 -0.09 -0.77 5.07 5.85 -0.72 -0.96 115.31 123.95 3kxi h LEU 195 Ca 0.53 -0.34 0.16 0.00 0.84 0.00 0.00 57.88 59.07 3kxi h LEU 195 Cb 1.03 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.98 3kxi h LEU 195 CO -0.60 0.31 0.26 0.15 -0.34 0.00 0.00 178.44 178.22 3kxi h PHE 196 N -0.49 0.43 0.21 1.25 3.57 -0.28 -0.02 116.94 121.61 3kxi h PHE 196 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3kxi h PHE 196 Cb 0.42 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3kxi h PHE 196 CO 0.05 -0.02 -0.10 -0.91 -2.23 0.00 0.00 178.31 175.10 3kxi h ASN 197 N 0.36 -0.24 0.38 0.41 2.35 -0.46 -0.65 115.58 117.72 3kxi h ASN 197 Ca 0.44 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 56.05 3kxi h ASN 197 Cb 0.73 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 3kxi h ASN 197 CO -0.47 -0.08 -0.30 0.77 -1.65 0.00 0.00 177.43 175.70 3kxi h SER 198 N -0.39 0.00 0.44 5.81 4.64 -0.75 0.18 113.55 123.47 3kxi h SER 198 Ca -0.03 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 3kxi h SER 198 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3kxi h SER 198 CO 0.05 0.30 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.56 3kxi h LEU 199 N 0.00 0.25 -3.01 5.97 3.38 -0.87 -3.20 115.31 117.83 3kxi h LEU 199 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kxi h LEU 199 Cb 0.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kxi h LEU 199 CO 0.04 0.85 0.00 0.35 0.09 0.00 0.00 178.44 179.77 3kxi n THR 200 N -3.81 1.48 -3.75 0.22 -2.24 -0.27 -4.99 114.28 100.93 3kxi n THR 200 Ca -0.03 -1.21 -0.27 0.00 -2.27 0.00 0.00 64.05 60.26 3kxi n THR 200 Cb 0.67 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 69.16 3kxi n THR 200 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kxi n GLY 201 N 0.68 -0.81 0.00 3.38 0.00 0.56 -4.94 105.19 104.07 3kxi n GLY 201 Ca 0.19 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3kxi n GLY 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxi n LEU 202 N -3.10 0.00 0.00 0.99 4.77 -0.88 -5.04 117.00 113.73 3kxi n LEU 202 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3kxi n LEU 202 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3kxi n LEU 202 CO 0.52 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.93 3kxi n THR 203 N 0.00 0.00 -3.82 -5.08 -2.24 -1.26 -5.07 114.28 96.81 3kxi n THR 203 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 3kxi n THR 203 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 3kxi n THR 203 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3kxi s PRO 216 N -0.90 2.02 0.00 -0.78 0.02 -1.26 -5.08 135.00 129.01 3kxi s PRO 216 Ca 0.00 -1.27 0.00 0.00 0.02 0.00 0.00 61.00 59.75 3kxi s PRO 216 Cb 0.00 0.58 0.00 0.00 0.02 0.00 0.00 34.50 35.10 3kxi s PRO 216 CO 0.00 -0.94 0.00 0.36 -0.33 0.00 0.00 177.00 176.09 3kxi n LYS 217 N -0.55 0.00 -3.84 5.54 2.85 -1.26 -4.76 118.16 116.14 3kxi n LYS 217 Ca -0.07 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.06 3kxi n LYS 217 Cb 0.60 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.83 3kxi n LYS 217 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3kxi s ARG 218 N 0.00 0.00 -0.28 -1.58 0.52 -1.26 -0.04 118.95 116.32 3kxi s ARG 218 Ca 0.00 0.07 -0.14 0.00 -0.52 0.00 0.00 55.73 55.14 3kxi s ARG 218 Cb 0.00 -0.12 0.09 0.00 0.52 0.00 0.00 34.95 35.44 3kxi s ARG 218 CO 0.00 -0.07 0.66 -0.47 0.02 0.00 0.00 175.30 175.45 3kxi s TYR 219 N 0.43 -1.09 -0.19 -0.53 5.04 0.77 -4.98 117.35 116.80 3kxi s TYR 219 Ca -0.04 2.12 -0.17 0.00 -2.44 0.00 0.00 57.07 56.55 3kxi s TYR 219 Cb -0.05 0.65 -0.04 0.00 0.35 0.00 0.00 41.96 42.87 3kxi s TYR 219 CO -0.01 -0.55 0.43 0.00 -1.34 0.00 0.00 175.55 174.09 3kxi s ALA 220 N 1.88 3.54 0.00 3.97 0.00 -1.26 0.48 121.76 130.37 3kxi s ALA 220 Ca -0.09 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.50 3kxi s ALA 220 Cb -0.07 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 3kxi s ALA 220 CO -0.19 -0.27 -0.24 0.96 0.00 0.00 0.00 175.76 176.02 3kxi s ILE 221 N 1.25 1.88 -0.41 0.00 -4.36 0.55 -4.89 121.20 115.22 3kxi s ILE 221 Ca 0.21 -1.10 -0.22 0.00 -0.26 0.00 0.00 60.65 59.28 3kxi s ILE 221 Cb -0.15 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 42.00 3kxi s ILE 221 CO 0.08 0.45 0.74 -2.84 0.24 0.00 0.00 174.94 173.62 3kxi s PRO 222 N -0.76 3.55 -0.30 0.37 0.02 -1.26 -1.14 135.00 135.47 3kxi s PRO 222 Ca 0.09 0.02 -0.07 0.00 0.02 0.00 0.00 61.00 61.06 3kxi s PRO 222 Cb -0.09 -3.88 0.01 0.00 0.02 0.00 0.00 34.50 30.56 3kxi s PRO 222 CO 0.00 -0.95 0.10 0.42 -0.33 0.00 0.00 177.00 176.23 3kxi s ILE 223 N 3.07 4.07 0.00 2.83 1.01 -0.49 -4.98 121.20 126.71 3kxi s ILE 223 Ca 0.28 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3kxi s ILE 223 Cb -0.13 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3kxi s ILE 223 CO 0.19 0.05 0.00 0.59 0.00 0.00 0.00 174.94 175.77 3kxi n ASN 224 N 4.88 0.00 -1.16 3.58 3.02 -1.26 -2.37 115.26 121.96 3kxi n ASN 224 Ca -0.14 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.51 3kxi n ASN 224 Cb 0.48 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.93 3kxi n ASN 224 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kxi n ASN 225 N 5.58 3.37 -4.11 6.41 4.13 -1.26 -4.89 115.26 124.49 3kxi n ASN 225 Ca 0.00 -1.99 -0.24 0.00 1.68 0.00 0.00 54.58 54.02 3kxi n ASN 225 Cb 0.00 -0.41 -0.16 0.00 -1.54 0.00 0.00 39.78 37.67 3kxi n ASN 225 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3kxi s ARG 226 N -1.18 1.51 0.06 3.52 0.52 -1.00 -5.14 118.95 117.24 3kxi s ARG 226 Ca 0.42 -0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 55.04 3kxi s ARG 226 Cb 0.22 -1.35 -0.05 0.00 0.52 0.00 0.00 34.95 34.29 3kxi s ARG 226 CO 0.29 0.23 0.29 0.21 0.02 0.00 0.00 175.30 176.35 3kxi s LYS 227 N -0.00 3.57 -0.03 3.54 2.20 -1.26 -1.40 119.74 126.36 3kxi s LYS 227 Ca -0.02 -0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.46 3kxi s LYS 227 Cb -0.10 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.24 3kxi s LYS 227 CO 0.01 0.59 0.04 0.42 -0.36 0.00 0.00 175.35 176.05 3kxi s ILE 228 N -1.43 -0.04 -0.19 5.43 1.01 -0.29 -4.45 121.20 121.23 3kxi s ILE 228 Ca 0.33 0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.98 3kxi s ILE 228 Cb -0.13 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.20 3kxi s ILE 228 CO 0.20 0.13 0.90 -0.32 0.00 0.00 0.00 174.94 175.86 3kxi s MET 229 N 1.46 4.28 -0.02 2.79 -2.45 0.01 -0.33 119.30 125.04 3kxi s MET 229 Ca -0.04 1.13 -0.02 0.00 -1.25 0.00 0.00 55.69 55.51 3kxi s MET 229 Cb -0.13 -3.60 -0.04 0.00 1.25 0.00 0.00 34.83 32.31 3kxi s MET 229 CO -0.03 -0.44 0.11 -0.51 1.05 0.00 0.00 175.02 175.20 3kxi s LEU 230 N 2.52 4.04 -0.14 4.11 1.43 0.18 -0.28 118.68 130.53 3kxi s LEU 230 Ca 0.40 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3kxi s LEU 230 Cb -0.16 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.79 3kxi s LEU 230 CO 0.11 0.29 -0.06 -0.69 0.23 0.00 0.00 176.35 176.22 3kxi s VAL 231 N -1.19 1.05 -0.47 -1.59 1.01 -1.06 -0.17 120.40 117.99 3kxi s VAL 231 Ca 0.22 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 3kxi s VAL 231 Cb -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3kxi s VAL 231 CO 0.13 0.24 1.33 -0.62 0.00 0.00 0.00 175.10 176.19 3kxi s ASP 232 N 1.68 6.37 0.58 3.32 2.15 0.94 -0.75 116.67 130.97 3kxi s ASP 232 Ca 0.03 0.59 -0.05 0.00 0.43 0.00 0.00 52.55 53.55 3kxi s ASP 232 Cb -0.14 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 3kxi s ASP 232 CO -0.08 -1.45 0.88 -0.89 -0.17 0.00 0.00 175.17 173.46 3kxi s THR 233 N 5.29 3.61 0.27 1.71 2.01 -1.05 -4.74 115.64 122.73 3kxi s THR 233 Ca 0.55 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 3kxi s THR 233 Cb -0.11 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 3kxi s THR 233 CO 0.31 -0.42 1.32 0.54 -0.69 0.00 0.00 174.62 175.67 3kxi s VAL 234 N -2.95 2.93 0.44 3.82 0.11 -1.26 -4.93 120.40 118.55 3kxi s VAL 234 Ca 0.54 0.84 -0.07 0.00 -2.93 0.00 0.00 61.98 60.35 3kxi s VAL 234 Cb -0.10 -3.53 0.11 0.00 -1.53 0.00 0.00 36.38 31.32 3kxi s VAL 234 CO 0.44 0.16 0.47 0.61 -3.33 0.00 0.00 175.10 173.45 3kxi n GLY 235 N 1.62 -2.04 3.75 6.54 0.00 -1.26 -4.79 105.19 109.01 3kxi n GLY 235 Ca 0.03 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 3kxi n GLY 235 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kxi s PHE 236 N -1.92 3.91 -0.06 1.61 0.08 -0.35 -4.92 117.98 116.33 3kxi s PHE 236 Ca 0.28 1.79 0.05 0.00 0.12 0.00 0.00 56.93 59.17 3kxi s PHE 236 Cb -0.02 -2.93 -0.00 0.00 -0.57 0.00 0.00 43.02 39.50 3kxi s PHE 236 CO 0.21 0.41 -0.21 0.42 -0.10 0.00 0.00 175.22 175.95 3kxi s ILE 237 N -0.84 1.76 0.27 0.64 -1.09 -1.26 -2.41 121.20 118.26 3kxi s ILE 237 Ca 0.41 -0.89 -0.21 0.00 -2.23 0.00 0.00 60.65 57.74 3kxi s ILE 237 Cb -0.24 -1.51 -0.09 0.00 -1.58 0.00 0.00 42.46 39.04 3kxi s ILE 237 CO 0.29 0.49 0.78 -0.13 -1.23 0.00 0.00 174.94 175.15 3kxi s ARG 238 N 0.07 4.29 -1.25 2.79 3.00 -1.26 -4.35 118.95 122.23 3kxi s ARG 238 Ca -0.07 0.96 -0.13 0.00 0.00 0.00 0.00 55.73 56.49 3kxi s ARG 238 Cb -0.14 -2.77 -0.00 0.00 0.00 0.00 0.00 34.95 32.03 3kxi s ARG 238 CO 0.04 0.32 0.64 0.41 0.00 0.00 0.00 175.30 176.71 3kxi n GLY 239 N 0.49 -0.65 3.68 -3.53 0.00 -1.26 -4.89 105.19 99.03 3kxi n GLY 239 Ca -0.00 0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 3kxi n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kxi s ILE 240 N -3.67 4.15 0.28 -0.61 1.01 -1.26 -4.99 121.20 116.10 3kxi s ILE 240 Ca 0.27 1.46 -0.30 0.00 0.00 0.00 0.00 60.65 62.08 3kxi s ILE 240 Cb -0.10 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 3kxi s ILE 240 CO 0.88 -0.04 1.45 -2.84 0.00 0.00 0.00 174.94 174.38 3kxi s PRO 241 N 2.69 4.24 0.25 2.79 0.02 -1.26 -4.87 135.00 138.86 3kxi s PRO 241 Ca 0.57 2.35 -0.09 0.00 0.02 0.00 0.00 61.00 63.86 3kxi s PRO 241 Cb -0.25 -3.08 0.40 0.00 0.02 0.00 0.00 34.50 31.58 3kxi s PRO 241 CO 0.21 -0.43 1.44 -2.30 -0.33 0.00 0.00 177.00 175.58 3kxi n PRO 242 N 1.97 -0.10 -0.33 5.54 -0.02 -1.26 -1.30 135.00 139.51 3kxi n PRO 242 Ca 0.06 1.44 0.24 0.00 -2.02 0.00 0.00 63.50 63.21 3kxi n PRO 242 Cb 0.40 -2.14 0.46 0.00 -0.02 0.00 0.00 33.50 32.19 3kxi n PRO 242 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3kxi h GLN 243 N 0.00 0.06 -0.08 -0.52 7.50 -2.02 -2.47 115.11 117.59 3kxi h GLN 243 Ca 0.43 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.57 3kxi h GLN 243 Cb 0.66 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.17 3kxi h GLN 243 CO -0.94 0.04 -0.02 0.44 -1.50 0.00 0.00 178.83 176.84 3kxi n ILE 244 N -5.30 2.03 -0.11 2.54 -5.35 -0.42 -4.66 119.36 108.09 3kxi n ILE 244 Ca 0.31 -2.22 -0.10 0.00 -0.27 0.00 0.00 62.75 60.47 3kxi n ILE 244 Cb 1.03 -0.25 -0.02 0.00 -1.74 0.00 0.00 39.64 38.66 3kxi n ILE 244 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3kxi h VAL 245 N 0.54 1.23 -0.26 7.28 2.07 -1.37 -0.75 116.25 125.00 3kxi h VAL 245 Ca 0.01 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3kxi h VAL 245 Cb 1.13 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 3kxi h VAL 245 CO 0.07 0.26 0.01 0.44 0.02 0.00 0.00 177.57 178.37 3kxi h ASP 246 N 0.38 -0.08 -0.58 0.57 3.32 -1.83 0.36 116.42 118.56 3kxi h ASP 246 Ca 0.10 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3kxi h ASP 246 Cb 0.32 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 3kxi h ASP 246 CO 0.00 -0.01 0.30 0.00 -1.72 0.00 0.00 179.24 177.81 3kxi h ALA 247 N 1.21 0.76 0.16 3.45 0.00 -1.77 -1.86 119.26 121.22 3kxi h ALA 247 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kxi h ALA 247 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kxi h ALA 247 CO -0.20 -0.05 -0.08 0.35 0.00 0.00 0.00 179.25 179.28 3kxi h PHE 248 N 0.56 -0.20 -0.31 0.00 3.57 -0.28 -2.08 116.94 118.21 3kxi h PHE 248 Ca 0.26 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.82 3kxi h PHE 248 Cb 0.19 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 3kxi h PHE 248 CO -0.10 -0.00 -0.08 0.35 -2.23 0.00 0.00 178.31 176.25 3kxi h PHE 249 N -0.36 -0.16 -0.63 0.41 3.57 -0.10 0.67 116.94 120.34 3kxi h PHE 249 Ca -0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3kxi h PHE 249 Cb 0.28 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3kxi h PHE 249 CO -0.02 -0.13 0.03 0.28 -2.23 0.00 0.00 178.31 176.23 3kxi h VAL 250 N 0.00 1.27 0.22 1.41 2.07 -1.36 0.91 116.25 120.76 3kxi h VAL 250 Ca 0.15 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3kxi h VAL 250 Cb 0.22 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3kxi h VAL 250 CO -0.32 0.41 -0.10 0.74 0.02 0.00 0.00 177.57 178.33 3kxi h THR 251 N 1.00 0.81 -0.90 2.57 2.02 -0.92 -3.01 112.91 114.47 3kxi h THR 251 Ca 0.18 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3kxi h THR 251 Cb 0.53 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3kxi h THR 251 CO 0.03 0.03 0.59 0.25 0.37 0.00 0.00 175.52 176.79 3kxi h LEU 252 N -0.35 1.00 -1.94 2.58 5.85 -0.72 -2.67 115.31 119.05 3kxi h LEU 252 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3kxi h LEU 252 Cb 0.27 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3kxi h LEU 252 CO 0.05 0.70 0.03 0.28 -0.34 0.00 0.00 178.44 179.16 3kxi h SER 253 N 1.17 0.00 0.54 1.25 0.02 -0.68 -0.38 113.55 115.47 3kxi h SER 253 Ca 0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3kxi h SER 253 Cb -0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3kxi h SER 253 CO -0.10 0.00 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.25 3kxi h GLU 254 N 0.00 0.00 0.00 3.45 5.08 -1.47 -1.55 114.58 120.10 3kxi h GLU 254 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kxi h GLU 254 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kxi h GLU 254 CO 0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 179.01 177.94 3kxi h ALA 255 N 1.99 1.56 0.00 3.43 0.00 -1.27 -2.85 119.26 122.13 3kxi h ALA 255 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kxi h ALA 255 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kxi h ALA 255 CO 0.00 0.10 -0.01 1.57 0.00 0.00 0.00 179.25 180.91 3kxi h LYS 256 N 0.00 0.00 -0.42 0.00 2.10 -1.48 -0.63 116.57 116.13 3kxi h LYS 256 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kxi h LYS 256 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3kxi h LYS 256 CO 0.01 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.13 3kxi n TYR 257 N -3.17 0.51 -2.24 0.07 4.01 -1.08 -4.86 117.16 110.41 3kxi n TYR 257 Ca -0.02 -0.23 -0.30 0.00 -0.16 0.00 0.00 57.90 57.19 3kxi n TYR 257 Cb 0.14 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 3kxi n TYR 257 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3kxi s SER 258 N -0.85 6.35 -0.02 7.72 0.01 -0.25 -4.99 113.70 121.68 3kxi s SER 258 Ca 0.21 1.32 -0.13 0.00 1.31 0.00 0.00 55.95 58.66 3kxi s SER 258 Cb 0.12 -2.42 -0.33 0.00 0.21 0.00 0.00 66.02 63.61 3kxi s SER 258 CO 0.12 -0.70 0.80 0.44 0.41 0.00 0.00 173.24 174.31 3kxi h ASP 259 N 0.22 0.71 -5.28 2.44 3.32 -1.36 -3.48 116.42 112.99 3kxi h ASP 259 Ca -0.45 -0.93 -0.24 0.00 0.02 0.00 0.00 57.03 55.43 3kxi h ASP 259 Cb 1.19 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.36 3kxi h ASP 259 CO 0.62 1.76 -0.63 0.00 -1.72 0.00 0.00 179.24 179.27 3kxi s ALA 260 N -2.59 1.13 -0.03 3.45 0.00 -1.17 -4.32 121.76 118.23 3kxi s ALA 260 Ca -0.13 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.23 3kxi s ALA 260 Cb 0.05 1.05 0.01 0.00 0.00 0.00 0.00 23.12 24.23 3kxi s ALA 260 CO 0.89 -0.51 -0.05 -0.51 0.00 0.00 0.00 175.76 175.58 3kxi s LEU 261 N -3.13 1.56 -0.37 0.00 1.43 -0.96 -1.78 118.68 115.43 3kxi s LEU 261 Ca 0.31 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 3kxi s LEU 261 Cb 0.07 -0.41 -0.00 0.00 0.03 0.00 0.00 46.19 45.88 3kxi s LEU 261 CO 0.07 -0.01 0.38 -0.63 0.23 0.00 0.00 176.35 176.39 3kxi s ILE 262 N 0.54 5.15 -0.31 -0.59 1.01 -0.29 -1.67 121.20 125.05 3kxi s ILE 262 Ca -0.07 -0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 3kxi s ILE 262 Cb -0.11 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 3kxi s ILE 262 CO 0.00 -0.20 0.67 -0.22 0.00 0.00 0.00 174.94 175.19 3kxi s LEU 263 N 2.03 4.13 0.00 2.97 2.96 -0.77 -0.96 118.68 129.05 3kxi s LEU 263 Ca 0.11 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.36 3kxi s LEU 263 Cb -0.17 -2.88 -0.06 0.00 0.50 0.00 0.00 46.19 43.58 3kxi s LEU 263 CO 0.12 -0.52 0.41 -0.69 -1.32 0.00 0.00 176.35 174.36 3kxi s VAL 264 N 2.70 5.02 -0.00 1.68 1.01 0.32 -0.28 120.40 130.85 3kxi s VAL 264 Ca 0.27 0.85 0.01 0.00 0.00 0.00 0.00 61.98 63.11 3kxi s VAL 264 Cb -0.15 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 3kxi s VAL 264 CO 0.12 0.58 -0.04 -0.63 0.00 0.00 0.00 175.10 175.13 3kxi s ILE 265 N -1.06 0.32 -0.67 2.22 -1.09 0.07 -4.39 121.20 116.60 3kxi s ILE 265 Ca 0.24 -0.17 -0.25 0.00 -2.23 0.00 0.00 60.65 58.24 3kxi s ILE 265 Cb -0.17 -0.28 0.05 0.00 -1.58 0.00 0.00 42.46 40.49 3kxi s ILE 265 CO 0.13 0.09 1.08 -0.62 -1.23 0.00 0.00 174.94 174.39 3kxi s ASP 266 N -0.09 6.21 0.54 3.58 -1.08 -1.26 0.34 116.67 124.90 3kxi s ASP 266 Ca 0.01 -0.66 0.36 0.00 -0.52 0.00 0.00 52.55 51.74 3kxi s ASP 266 Cb -0.02 -2.48 1.91 0.00 -1.46 0.00 0.00 42.92 40.88 3kxi s ASP 266 CO -0.00 -1.55 2.10 0.77 0.52 0.00 0.00 175.17 177.01 3kxi h SER 267 N 9.68 0.00 0.00 -0.34 4.64 -1.44 -2.25 113.55 123.85 3kxi h SER 267 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3kxi h SER 267 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3kxi h SER 267 CO 1.20 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.51 3kxi n THR 268 N -2.79 0.00 -2.48 2.95 -2.24 -1.26 -4.77 114.28 103.69 3kxi n THR 268 Ca -0.02 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 3kxi n THR 268 Cb 0.08 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 3kxi n THR 268 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kxi s PHE 269 N -2.00 3.58 0.77 4.78 0.08 -0.85 -5.04 117.98 119.31 3kxi s PHE 269 Ca 0.41 1.68 -0.13 0.00 0.12 0.00 0.00 56.93 59.01 3kxi s PHE 269 Cb 0.19 -3.28 0.06 0.00 -0.57 0.00 0.00 43.02 39.42 3kxi s PHE 269 CO 0.31 -0.56 1.16 -1.54 -0.10 0.00 0.00 175.22 174.49 3kxi s SER 270 N -0.74 4.04 0.29 1.36 1.04 -1.26 -4.58 113.70 113.85 3kxi s SER 270 Ca 0.45 2.18 0.04 0.00 0.48 0.00 0.00 55.95 59.10 3kxi s SER 270 Cb -0.32 -2.57 0.73 0.00 0.10 0.00 0.00 66.02 63.97 3kxi s SER 270 CO 0.40 -2.36 1.72 -0.33 0.98 0.00 0.00 173.24 173.65 3kxi h GLU 271 N -0.79 0.48 0.39 4.02 3.07 -1.96 0.35 114.58 120.13 3kxi h GLU 271 Ca -0.46 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 3kxi h GLU 271 Cb 1.27 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 3kxi h GLU 271 CO 0.48 0.32 -0.25 -0.91 -1.40 0.00 0.00 179.01 177.25 3kxi h ASN 272 N 0.49 -0.62 -0.18 1.42 -0.26 -2.00 0.11 115.58 114.55 3kxi h ASN 272 Ca 0.56 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 56.30 3kxi h ASN 272 Cb 1.02 0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 38.45 3kxi h ASN 272 CO -0.48 -0.39 0.01 -0.07 -1.06 0.00 0.00 177.43 175.43 3kxi h LEU 273 N -0.61 0.39 -0.66 1.61 4.07 -1.60 -1.55 115.31 116.95 3kxi h LEU 273 Ca -0.04 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 57.87 3kxi h LEU 273 Cb 0.51 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 3kxi h LEU 273 CO 0.04 0.45 0.43 0.25 -1.08 0.00 0.00 178.44 178.53 3kxi h LEU 274 N 0.41 0.75 -0.44 1.67 5.85 0.04 -0.64 115.31 122.96 3kxi h LEU 274 Ca 0.09 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3kxi h LEU 274 Cb 0.27 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3kxi h LEU 274 CO 0.01 0.54 0.18 0.40 -0.34 0.00 0.00 178.44 179.22 3kxi h ILE 275 N 0.89 1.20 -0.37 4.05 2.04 -0.11 -2.53 117.51 122.68 3kxi h ILE 275 Ca 0.24 -0.62 0.07 0.00 1.00 0.00 0.00 64.86 65.55 3kxi h ILE 275 Cb -0.10 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3kxi h ILE 275 CO -0.05 0.23 -0.02 -0.33 0.00 0.00 0.00 178.15 177.97 3kxi h GLU 276 N 0.56 0.08 -0.20 2.37 5.08 -0.87 -1.11 114.58 120.48 3kxi h GLU 276 Ca 0.15 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kxi h GLU 276 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3kxi h GLU 276 CO -0.01 0.05 0.13 1.15 -1.00 0.00 0.00 179.01 179.33 3kxi h THR 277 N 0.08 1.05 0.18 1.13 2.02 -0.96 0.20 112.91 116.61 3kxi h THR 277 Ca 0.18 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 3kxi h THR 277 Cb 0.25 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3kxi h THR 277 CO -0.32 0.05 -0.08 -0.07 0.37 0.00 0.00 175.52 175.47 3kxi h LEU 278 N 0.27 -0.20 -0.29 2.58 3.38 -1.29 0.28 115.31 120.05 3kxi h LEU 278 Ca 0.07 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kxi h LEU 278 Cb -0.03 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3kxi h LEU 278 CO -0.02 -0.12 -0.14 1.56 0.09 0.00 0.00 178.44 179.81 3kxi h GLN 279 N -0.26 -0.10 -0.65 1.13 1.08 -1.02 -2.15 115.11 113.14 3kxi h GLN 279 Ca -0.02 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 3kxi h GLN 279 Cb 0.20 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 3kxi h GLN 279 CO 0.04 -0.07 0.17 0.77 -0.95 0.00 0.00 178.83 178.79 3kxi h SER 280 N -0.11 0.95 -0.12 1.46 0.02 -0.32 -1.39 113.55 114.04 3kxi h SER 280 Ca 0.15 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3kxi h SER 280 Cb 0.33 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3kxi h SER 280 CO -0.35 0.91 0.03 0.28 -1.14 0.00 0.00 176.83 176.56 3kxi h SER 281 N 0.97 0.18 1.46 3.07 0.02 -0.04 -1.14 113.55 118.07 3kxi h SER 281 Ca 0.21 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3kxi h SER 281 Cb 0.33 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3kxi h SER 281 CO -0.00 0.36 -0.22 -0.26 -1.14 0.00 0.00 176.83 175.57 3kxi h PHE 282 N -0.00 0.00 0.16 3.45 0.04 -1.37 -1.16 116.94 118.06 3kxi h PHE 282 Ca 0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3kxi h PHE 282 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3kxi h PHE 282 CO 0.01 0.22 -0.08 0.93 -0.60 0.00 0.00 178.31 178.79 3kxi h GLU 283 N 0.00 -0.21 -0.68 1.51 5.08 -1.00 -1.56 114.58 117.72 3kxi h GLU 283 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3kxi h GLU 283 Cb 1.01 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3kxi h GLU 283 CO 0.03 0.00 0.38 0.82 -1.00 0.00 0.00 179.01 179.25 3kxi h ILE 284 N -0.40 1.21 -0.58 3.13 2.04 -1.05 0.56 117.51 122.42 3kxi h ILE 284 Ca -0.02 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3kxi h ILE 284 Cb 0.32 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3kxi h ILE 284 CO 0.04 0.22 0.30 -0.07 0.00 0.00 0.00 178.15 178.64 3kxi h LEU 285 N 0.93 0.73 -0.80 1.44 3.38 -1.18 0.90 115.31 120.71 3kxi h LEU 285 Ca 0.24 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3kxi h LEU 285 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kxi h LEU 285 CO -0.04 0.63 -0.22 -0.09 0.09 0.00 0.00 178.44 178.81 3kxi h ARG 286 N 0.78 0.66 -0.11 1.13 2.43 -1.09 0.85 114.38 119.03 3kxi h ARG 286 Ca 0.20 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3kxi h ARG 286 Cb 0.07 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3kxi h ARG 286 CO -0.03 0.83 -0.14 0.93 -1.51 0.00 0.00 179.97 180.05 3kxi h GLU 287 N 0.58 -0.17 -0.17 0.20 4.39 0.30 -2.26 114.58 117.45 3kxi h GLU 287 Ca 0.09 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3kxi h GLU 287 Cb 0.69 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3kxi h GLU 287 CO 0.05 -0.12 0.00 0.44 -1.16 0.00 0.00 179.01 178.23 3kxi n ILE 288 N -5.28 0.23 -2.52 3.13 -5.35 0.20 -4.88 119.36 104.88 3kxi n ILE 288 Ca -0.03 -0.23 -0.02 0.00 -0.27 0.00 0.00 62.75 62.20 3kxi n ILE 288 Cb 0.20 0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.22 3kxi n ILE 288 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kxi n GLY 289 N 0.77 0.77 3.66 3.28 0.00 -0.85 -4.84 105.19 107.99 3kxi n GLY 289 Ca 0.06 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3kxi n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kxi s VAL 290 N -2.91 5.04 -0.08 1.61 1.01 0.27 -4.94 120.40 120.40 3kxi s VAL 290 Ca 0.04 1.14 -0.13 0.00 0.00 0.00 0.00 61.98 63.03 3kxi s VAL 290 Cb -0.02 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.47 3kxi s VAL 290 CO 0.05 0.13 0.34 -0.55 0.00 0.00 0.00 175.10 175.07 3kxi s SER 291 N 1.17 -0.29 -1.41 3.32 0.15 -1.26 -4.40 113.70 110.97 3kxi s SER 291 Ca 0.28 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.38 3kxi s SER 291 Cb -0.16 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 3kxi s SER 291 CO 0.10 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3kxi n GLY 292 N 2.20 0.56 3.61 9.45 0.00 -1.26 -4.94 105.19 114.81 3kxi n GLY 292 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3kxi n GLY 292 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kxi s LYS 293 N -4.02 3.92 0.24 1.61 2.20 -1.26 -4.80 119.74 117.63 3kxi s LYS 293 Ca 0.00 -0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 54.92 3kxi s LYS 293 Cb 0.00 -3.16 -0.12 0.00 -1.51 0.00 0.00 37.83 33.04 3kxi s LYS 293 CO 0.00 0.26 1.65 -2.14 -0.36 0.00 0.00 175.35 174.76 3kxi s PRO 294 N 0.38 4.13 -0.19 4.03 0.02 -1.26 -4.22 135.00 137.90 3kxi s PRO 294 Ca 0.02 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.62 3kxi s PRO 294 Cb -0.13 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.38 3kxi s PRO 294 CO 0.01 -0.68 -0.11 0.42 -0.33 0.00 0.00 177.00 176.31 3kxi s ILE 295 N 0.61 1.60 -0.55 2.83 1.01 -0.84 -2.26 121.20 123.61 3kxi s ILE 295 Ca 0.69 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 3kxi s ILE 295 Cb -0.48 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.38 3kxi s ILE 295 CO 0.39 0.21 0.84 -0.22 0.00 0.00 0.00 174.94 176.17 3kxi s LEU 296 N 1.42 4.44 -0.16 2.97 2.96 -0.67 -1.21 118.68 128.43 3kxi s LEU 296 Ca -0.00 -0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 52.99 3kxi s LEU 296 Cb -0.16 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 3kxi s LEU 296 CO -0.09 -1.15 0.97 -0.69 -1.32 0.00 0.00 176.35 174.08 3kxi s VAL 297 N 3.52 4.78 -0.22 1.68 1.01 0.75 -1.84 120.40 130.08 3kxi s VAL 297 Ca 0.24 1.94 -0.02 0.00 0.00 0.00 0.00 61.98 64.14 3kxi s VAL 297 Cb -0.15 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.96 3kxi s VAL 297 CO 0.15 -0.04 -0.08 0.42 0.00 0.00 0.00 175.10 175.55 3kxi s THR 298 N 2.38 2.94 -0.61 3.92 -4.23 0.62 -0.40 115.64 120.25 3kxi s THR 298 Ca 0.45 -0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 59.96 3kxi s THR 298 Cb -0.17 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.36 3kxi s THR 298 CO 0.13 0.37 0.95 -0.22 -0.54 0.00 0.00 174.62 175.31 3kxi s LEU 299 N 1.39 4.26 0.20 4.79 2.96 0.44 -0.76 118.68 131.96 3kxi s LEU 299 Ca 0.04 -0.72 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 3kxi s LEU 299 Cb -0.15 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 3kxi s LEU 299 CO -0.06 -1.34 0.33 0.21 -1.32 0.00 0.00 176.35 174.17 3kxi s ASN 300 N 3.30 6.33 0.00 3.68 2.47 0.15 -0.03 114.94 130.84 3kxi s ASN 300 Ca 0.25 0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.65 3kxi s ASN 300 Cb -0.15 -1.88 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 3kxi s ASN 300 CO 0.14 -0.02 0.00 0.29 -3.72 0.00 0.00 177.10 173.79 3kxi n LYS 301 N -1.02 0.00 0.04 0.43 5.02 -0.86 -1.12 118.16 120.66 3kxi n LYS 301 Ca -0.08 0.16 0.07 0.00 -2.02 0.00 0.00 58.31 56.44 3kxi n LYS 301 Cb 0.56 -2.59 0.32 0.00 -0.02 0.00 0.00 35.03 33.29 3kxi n LYS 301 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kxi n ILE 302 N -2.91 1.13 0.43 -0.18 -5.35 -1.04 -1.50 119.36 109.95 3kxi n ILE 302 Ca 0.00 0.32 0.12 0.00 -0.27 0.00 0.00 62.75 62.92 3kxi n ILE 302 Cb 0.19 -1.17 0.48 0.00 -1.74 0.00 0.00 39.64 37.40 3kxi n ILE 302 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3kxi h ASP 303 N 0.00 0.00 -1.26 7.28 2.03 -1.93 -3.16 116.42 119.37 3kxi h ASP 303 Ca 0.00 0.00 -0.75 0.00 -0.73 0.00 0.00 57.03 55.55 3kxi h ASP 303 Cb 0.22 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.58 3kxi h ASP 303 CO 0.00 0.00 2.24 0.29 -1.03 0.00 0.00 179.24 180.74 3kxi n LYS 304 N -2.30 4.16 -2.00 4.15 4.76 -0.56 -4.98 118.16 121.40 3kxi n LYS 304 Ca 0.03 -3.49 -0.42 0.00 -2.87 0.00 0.00 58.31 51.55 3kxi n LYS 304 Cb 0.27 -2.76 -0.03 0.00 -1.84 0.00 0.00 35.03 30.68 3kxi n LYS 304 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kxi s ILE 305 N -0.47 3.55 -1.20 -0.18 1.01 -1.20 -4.88 121.20 117.84 3kxi s ILE 305 Ca 0.47 0.68 0.12 0.00 0.00 0.00 0.00 60.65 61.93 3kxi s ILE 305 Cb 0.14 -3.44 0.24 0.00 0.01 0.00 0.00 42.46 39.41 3kxi s ILE 305 CO -0.05 -0.06 1.12 -0.46 0.00 0.00 0.00 174.94 175.50 3kxi n ASN 306 N 7.04 2.61 0.00 3.58 0.23 -1.26 -4.96 115.26 122.50 3kxi n ASN 306 Ca 0.17 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.42 3kxi n ASN 306 Cb 0.43 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 3kxi n ASN 306 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kxi n GLY 307 N 0.63 0.66 0.85 4.83 0.00 -1.26 -4.96 105.19 105.93 3kxi n GLY 307 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3kxi n GLY 307 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kxi n ASP 308 N 0.00 3.66 0.03 1.61 10.43 -1.26 -4.80 116.55 126.22 3kxi n ASP 308 Ca 0.00 -2.72 -0.05 0.00 2.57 0.00 0.00 54.79 54.60 3kxi n ASP 308 Cb 0.00 -0.46 -0.03 0.00 1.84 0.00 0.00 41.12 42.47 3kxi n ASP 308 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3kxi h LEU 309 N 1.94 -0.45 -0.73 0.64 5.85 -1.97 -1.45 115.31 119.14 3kxi h LEU 309 Ca 0.00 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.89 3kxi h LEU 309 Cb 1.25 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 42.32 3kxi h LEU 309 CO 0.17 -0.15 -0.34 1.88 -0.34 0.00 0.00 178.44 179.65 3kxi h TYR 310 N -0.21 -0.93 0.01 1.25 -1.99 -1.98 0.55 116.97 113.67 3kxi h TYR 310 Ca -0.00 0.08 0.03 0.00 2.00 0.00 0.00 58.73 60.84 3kxi h TYR 310 Cb 0.21 0.51 -0.05 0.00 2.00 0.00 0.00 36.73 39.40 3kxi h TYR 310 CO -0.35 -0.39 -0.35 -0.22 -0.00 0.00 0.00 178.16 176.85 3kxi h LYS 311 N -0.10 -0.49 -0.46 4.88 3.64 -1.89 0.20 116.57 122.35 3kxi h LYS 311 Ca 0.28 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3kxi h LYS 311 Cb 0.57 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3kxi h LYS 311 CO -0.79 -0.33 -0.08 0.87 -2.27 0.00 0.00 179.45 176.85 3kxi h LYS 312 N -0.51 0.82 -0.55 1.90 1.57 -0.31 -1.58 116.57 117.91 3kxi h LYS 312 Ca 0.06 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 3kxi h LYS 312 Cb 0.59 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3kxi h LYS 312 CO -0.28 0.88 0.05 1.25 -0.57 0.00 0.00 179.45 180.78 3kxi h LEU 313 N 0.74 0.90 -0.59 2.94 5.85 0.44 -0.37 115.31 125.23 3kxi h LEU 313 Ca 0.13 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 3kxi h LEU 313 Cb 0.57 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3kxi h LEU 313 CO 0.03 0.96 -0.44 -0.78 -0.34 0.00 0.00 178.44 177.87 3kxi h ASP 314 N 0.82 0.66 0.33 1.25 1.82 -0.86 -1.91 116.42 118.52 3kxi h ASP 314 Ca 0.16 -0.31 -0.02 0.00 -0.39 0.00 0.00 57.03 56.47 3kxi h ASP 314 Cb 0.46 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.29 3kxi h ASP 314 CO 0.02 1.01 -0.16 0.25 -1.61 0.00 0.00 179.24 178.75 3kxi h LEU 315 N 0.50 -0.37 -0.73 2.28 5.85 -1.03 -0.51 115.31 121.30 3kxi h LEU 315 Ca 0.03 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3kxi h LEU 315 Cb 0.97 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 3kxi h LEU 315 CO 0.09 -0.21 0.44 0.58 -0.34 0.00 0.00 178.44 179.00 3kxi h VAL 316 N -0.51 1.04 -0.11 1.05 2.07 -1.07 -1.93 116.25 116.79 3kxi h VAL 316 Ca -0.04 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3kxi h VAL 316 Cb 0.38 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3kxi h VAL 316 CO 0.07 0.15 -0.02 -0.08 0.02 0.00 0.00 177.57 177.71 3kxi h GLU 317 N 0.83 0.21 -0.16 1.57 4.81 -1.18 -1.37 114.58 119.29 3kxi h GLU 317 Ca 0.31 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3kxi h GLU 317 Cb 0.11 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3kxi h GLU 317 CO -0.15 0.50 -0.03 0.87 -0.73 0.00 0.00 179.01 179.48 3kxi h LYS 318 N -0.10 0.01 -0.32 1.92 1.57 -0.98 -2.28 116.57 116.38 3kxi h LYS 318 Ca 0.03 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3kxi h LYS 318 Cb 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3kxi h LYS 318 CO 0.01 0.01 -0.31 1.25 -0.57 0.00 0.00 179.45 179.84 3kxi h LEU 319 N 0.01 0.72 0.28 2.94 5.85 -1.34 -1.93 115.31 121.84 3kxi h LEU 319 Ca 0.07 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3kxi h LEU 319 Cb 0.11 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3kxi h LEU 319 CO -0.15 0.97 -0.13 0.28 -0.34 0.00 0.00 178.44 179.07 3kxi h SER 320 N 0.59 -0.32 -0.70 1.25 0.02 -1.14 -0.87 113.55 112.37 3kxi h SER 320 Ca 0.07 -0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.17 3kxi h SER 320 Cb 0.81 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.33 3kxi h SER 320 CO 0.07 -0.21 0.10 0.11 -1.14 0.00 0.00 176.83 175.76 3kxi h LYS 321 N -0.40 0.19 -0.30 3.45 6.56 -1.25 -0.26 116.57 124.57 3kxi h LYS 321 Ca -0.04 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 3kxi h LYS 321 Cb 0.30 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.90 3kxi h LYS 321 CO 0.06 0.13 -0.04 0.93 -2.06 0.00 0.00 179.45 178.47 3kxi h GLU 322 N 0.20 0.47 0.03 3.15 5.08 -0.94 -3.28 114.58 119.29 3kxi h GLU 322 Ca 0.39 -0.11 -0.31 0.00 -1.00 0.00 0.00 59.36 58.33 3kxi h GLU 322 Cb 0.66 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3kxi h GLU 322 CO -0.54 0.53 -1.76 1.28 -1.00 0.00 0.00 179.01 177.52 3kxi n LEU 323 N -4.27 1.27 -3.91 1.33 4.77 -0.37 -5.00 117.00 110.82 3kxi n LEU 323 Ca 0.01 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.28 3kxi n LEU 323 Cb 0.26 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 3kxi n LEU 323 CO 0.39 0.49 -0.12 -0.47 -1.33 0.00 0.00 177.39 176.35 3kxi s TYR 324 N -2.59 0.26 -0.22 -1.77 5.04 -0.20 -5.07 117.35 112.79 3kxi s TYR 324 Ca -0.08 -0.69 -0.21 0.00 -2.44 0.00 0.00 57.07 53.65 3kxi s TYR 324 Cb 0.08 -0.11 0.06 0.00 0.35 0.00 0.00 41.96 42.34 3kxi s TYR 324 CO 0.81 -0.56 0.60 0.45 -1.34 0.00 0.00 175.55 175.51 3kxi s SER 325 N -2.89 -0.62 -0.11 4.32 0.15 -1.26 -4.32 113.70 108.96 3kxi s SER 325 Ca 0.08 1.20 -0.20 0.00 0.70 0.00 0.00 55.95 57.73 3kxi s SER 325 Cb 0.05 1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 65.54 3kxi s SER 325 CO -0.09 -0.21 0.56 -2.16 1.20 0.00 0.00 173.24 172.55 3kxi s PRO 326 N 0.33 4.36 -0.46 5.44 0.05 -1.26 -4.07 135.00 139.38 3kxi s PRO 326 Ca -0.00 0.60 -0.24 0.00 0.05 0.00 0.00 61.00 61.41 3kxi s PRO 326 Cb -0.04 -3.46 0.03 0.00 0.05 0.00 0.00 34.50 31.08 3kxi s PRO 326 CO 0.01 0.08 0.84 0.42 0.05 0.00 0.00 177.00 178.40 3kxi s ILE 327 N 0.83 4.57 0.07 0.56 -1.09 -1.26 -1.98 121.20 122.91 3kxi s ILE 327 Ca 0.30 0.54 -0.32 0.00 -2.23 0.00 0.00 60.65 58.94 3kxi s ILE 327 Cb -0.16 -4.37 -0.19 0.00 -1.58 0.00 0.00 42.46 36.16 3kxi s ILE 327 CO 0.13 -0.78 1.63 0.15 -1.23 0.00 0.00 174.94 174.84 3kxi h PHE 328 N 9.03 -0.76 -2.52 3.97 3.57 -1.50 -3.46 116.94 125.28 3kxi h PHE 328 Ca -0.25 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.31 3kxi h PHE 328 Cb 1.08 0.25 -0.14 0.00 2.79 0.00 0.00 35.95 39.93 3kxi h PHE 328 CO 0.83 -0.47 0.40 0.34 -2.23 0.00 0.00 178.31 177.18 3kxi s ASP 329 N -4.48 -0.41 -0.14 0.41 -1.08 -1.24 -4.99 116.67 104.74 3kxi s ASP 329 Ca -0.17 -0.04 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 3kxi s ASP 329 Cb 0.04 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 3kxi s ASP 329 CO 0.62 -0.76 -0.20 -0.69 0.52 0.00 0.00 175.17 174.66 3kxi s VAL 330 N -3.34 2.26 -0.02 1.11 1.01 -1.26 -0.18 120.40 119.99 3kxi s VAL 330 Ca 0.04 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3kxi s VAL 330 Cb -0.01 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3kxi s VAL 330 CO -0.09 0.54 0.03 -0.63 0.00 0.00 0.00 175.10 174.95 3kxi s ILE 331 N 0.71 -0.03 0.25 2.22 1.01 0.47 -4.99 121.20 120.83 3kxi s ILE 331 Ca -0.09 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 3kxi s ILE 331 Cb -0.16 -0.07 -0.09 0.00 0.01 0.00 0.00 42.46 42.15 3kxi s ILE 331 CO 0.01 0.04 1.01 -2.84 0.00 0.00 0.00 174.94 173.16 3kxi s PRO 332 N 0.53 4.75 0.19 2.79 0.02 -1.26 -0.42 135.00 141.60 3kxi s PRO 332 Ca -0.04 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.50 3kxi s PRO 332 Cb -0.06 -3.25 -0.00 0.00 0.02 0.00 0.00 34.50 31.20 3kxi s PRO 332 CO -0.02 0.36 0.35 0.96 -0.33 0.00 0.00 177.00 178.32 3kxi s ILE 333 N -1.06 0.04 -0.36 2.83 -4.36 0.96 -4.80 121.20 114.44 3kxi s ILE 333 Ca 0.43 -1.34 -0.00 0.00 -0.26 0.00 0.00 60.65 59.48 3kxi s ILE 333 Cb -0.28 -1.92 0.13 0.00 1.25 0.00 0.00 42.46 41.63 3kxi s ILE 333 CO 0.36 -0.19 0.19 -0.55 0.24 0.00 0.00 174.94 174.98 3kxi s SER 334 N -2.98 3.42 0.34 4.36 0.15 -1.26 -2.02 113.70 115.71 3kxi s SER 334 Ca 0.18 -2.10 0.07 0.00 0.70 0.00 0.00 55.95 54.80 3kxi s SER 334 Cb 0.02 -0.65 0.75 0.00 -1.71 0.00 0.00 66.02 64.43 3kxi s SER 334 CO 0.02 -0.33 1.86 0.00 1.20 0.00 0.00 173.24 175.99 3kxi h ALA 335 N 7.30 1.75 0.78 5.45 0.00 -1.95 1.41 119.26 134.01 3kxi h ALA 335 Ca -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kxi h ALA 335 Cb 0.97 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.62 3kxi h ALA 335 CO 0.38 0.01 -0.37 1.25 0.00 0.00 0.00 179.25 180.52 3kxi h LEU 336 N 0.77 -0.89 0.00 0.00 7.12 -1.94 -3.30 115.31 117.07 3kxi h LEU 336 Ca 0.46 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.50 3kxi h LEU 336 Cb 0.65 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 3kxi h LEU 336 CO -0.22 -0.53 -0.20 0.29 -0.13 0.00 0.00 178.44 177.65 3kxi n LYS 337 N -5.38 0.02 -2.92 1.25 4.76 -0.98 -4.94 118.16 109.96 3kxi n LYS 337 Ca -0.13 0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.11 3kxi n LYS 337 Cb 0.41 -1.52 0.03 0.00 -1.84 0.00 0.00 35.03 32.12 3kxi n LYS 337 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kxi n ARG 338 N -1.55 -4.41 0.08 1.97 1.74 0.48 -4.89 116.66 110.08 3kxi n ARG 338 Ca 0.06 0.90 -0.05 0.00 -0.77 0.00 0.00 57.85 57.99 3kxi n ARG 338 Cb 0.34 -5.68 0.12 0.00 -1.02 0.00 0.00 32.46 26.22 3kxi n ARG 338 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3kxi h THR 339 N -1.20 1.38 -0.72 0.55 2.02 -1.92 -3.25 112.91 109.78 3kxi h THR 339 Ca -0.51 -1.95 -0.47 0.00 0.77 0.00 0.00 66.41 64.25 3kxi h THR 339 Cb 1.36 1.97 -0.42 0.00 -1.74 0.00 0.00 68.15 69.32 3kxi h THR 339 CO 0.56 0.58 -0.90 -3.20 0.37 0.00 0.00 175.52 172.92 3kxi n ASN 340 N -3.88 3.96 -0.01 4.18 5.15 -1.26 -4.87 115.26 118.52 3kxi n ASN 340 Ca -0.02 -3.27 -0.17 0.00 -0.60 0.00 0.00 54.58 50.51 3kxi n ASN 340 Cb 0.61 -0.39 -0.08 0.00 -0.53 0.00 0.00 39.78 39.39 3kxi n ASN 340 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3kxi h LEU 341 N 2.34 0.80 -0.01 1.20 6.46 -1.93 -2.79 115.31 121.37 3kxi h LEU 341 Ca 0.22 -0.66 0.02 0.00 -0.12 0.00 0.00 57.88 57.35 3kxi h LEU 341 Cb 1.42 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 3kxi h LEU 341 CO 0.61 1.33 -0.15 -0.33 -0.62 0.00 0.00 178.44 179.28 3kxi h GLU 342 N 0.32 -0.23 -0.80 1.25 3.07 -1.89 -0.19 114.58 116.10 3kxi h GLU 342 Ca -0.06 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3kxi h GLU 342 Cb 1.35 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.28 3kxi h GLU 342 CO 0.14 -0.15 0.46 1.25 -1.40 0.00 0.00 179.01 179.31 3kxi h LEU 343 N -0.24 0.99 -0.09 1.33 5.85 -1.96 -1.14 115.31 120.04 3kxi h LEU 343 Ca 0.05 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kxi h LEU 343 Cb 0.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3kxi h LEU 343 CO -0.15 0.78 -0.10 0.25 -0.34 0.00 0.00 178.44 178.87 3kxi h LEU 344 N 1.11 -0.32 -1.81 2.25 5.85 -1.17 0.11 115.31 121.33 3kxi h LEU 344 Ca 0.29 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.13 3kxi h LEU 344 Cb -0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3kxi h LEU 344 CO -0.05 -0.14 0.26 0.03 -0.34 0.00 0.00 178.44 178.20 3kxi h ARG 345 N -0.14 0.23 0.09 1.25 3.08 -0.66 0.14 114.38 118.36 3kxi h ARG 345 Ca 0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kxi h ARG 345 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3kxi h ARG 345 CO -0.17 0.15 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.39 3kxi h ASP 346 N 0.23 -0.10 -0.27 7.04 3.32 -0.16 0.26 116.42 126.74 3kxi h ASP 346 Ca 0.17 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.94 3kxi h ASP 346 Cb 0.39 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3kxi h ASP 346 CO -0.03 0.28 0.04 0.11 -1.72 0.00 0.00 179.24 177.92 3kxi h LYS 347 N -0.51 0.13 -0.96 3.56 1.79 -0.23 0.33 116.57 120.68 3kxi h LYS 347 Ca -0.01 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3kxi h LYS 347 Cb 0.42 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.99 3kxi h LYS 347 CO 0.02 0.09 0.63 0.82 -1.08 0.00 0.00 179.45 179.93 3kxi h ILE 348 N 0.13 1.21 0.38 1.86 2.04 -0.76 0.29 117.51 122.67 3kxi h ILE 348 Ca 0.13 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3kxi h ILE 348 Cb 0.14 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 3kxi h ILE 348 CO -0.18 0.23 -0.18 0.22 0.00 0.00 0.00 178.15 178.24 3kxi h TYR 349 N 1.27 -0.48 -0.63 1.37 3.20 0.32 0.76 116.97 122.78 3kxi h TYR 349 Ca 0.37 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.34 3kxi h TYR 349 Cb -0.08 0.16 -0.09 0.00 1.54 0.00 0.00 36.73 38.26 3kxi h TYR 349 CO -0.01 -0.20 0.15 0.37 -1.64 0.00 0.00 178.16 176.84 3kxi h GLN 350 N -0.69 0.28 -0.33 1.82 4.15 -0.13 0.44 115.11 120.65 3kxi h GLN 350 Ca -0.05 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.38 3kxi h GLN 350 Cb 0.49 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 3kxi h GLN 350 CO 0.09 0.18 0.14 1.25 -1.93 0.00 0.00 178.83 178.56 3kxi h LEU 351 N 0.29 0.19 0.15 -2.39 5.85 -0.33 0.78 115.31 119.84 3kxi h LEU 351 Ca 0.33 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 3kxi h LEU 351 Cb 0.50 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3kxi h LEU 351 CO -0.41 0.15 -0.07 0.00 -0.34 0.00 0.00 178.44 177.77 3kxi h ALA 352 N 1.19 -0.20 -0.85 1.25 0.00 0.63 -1.18 119.26 120.10 3kxi h ALA 352 Ca 0.14 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.15 3kxi h ALA 352 Cb 0.08 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 3kxi h ALA 352 CO -0.12 -0.57 0.40 1.15 0.00 0.00 0.00 179.25 180.10 3kxi h THR 353 N -0.27 0.62 -0.95 0.00 2.02 -0.06 0.18 112.91 114.44 3kxi h THR 353 Ca -0.02 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.02 3kxi h THR 353 Cb 0.22 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 3kxi h THR 353 CO 0.03 0.09 0.63 -0.61 0.37 0.00 0.00 175.52 176.03 3kxi h GLN 354 N 0.51 1.17 -0.01 6.66 4.15 -0.26 -2.64 115.11 124.69 3kxi h GLN 354 Ca 0.49 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.84 3kxi h GLN 354 Cb 0.81 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3kxi h GLN 354 CO -0.44 0.78 -0.11 1.28 -1.93 0.00 0.00 178.83 178.41 3kxi n LEU 355 N -4.44 1.54 0.00 -2.39 4.77 0.26 -4.06 117.00 112.69 3kxi n LEU 355 Ca 0.13 -0.49 0.11 0.00 -0.03 0.00 0.00 56.01 55.73 3kxi n LEU 355 Cb 0.09 -0.04 0.52 0.00 -2.33 0.00 0.00 43.42 41.66 3kxi n LEU 355 CO 0.35 0.27 0.87 -1.54 -1.33 0.00 0.00 177.39 176.01 3kxi n SER 356 N 0.02 0.00 -0.11 -1.43 3.41 0.37 -4.93 113.62 110.94 3kxi n SER 356 Ca 0.16 0.40 0.01 0.00 -0.26 0.00 0.00 58.87 59.18 3kxi n SER 356 Cb 0.39 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3kxi n SER 356 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06