#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxq s ARG 6 N 0.00 4.32 0.74 0.38 3.52 -1.26 -5.00 118.95 121.65 3kxq s ARG 6 Ca 0.00 1.72 -0.12 0.00 -0.13 0.00 0.00 55.73 57.20 3kxq s ARG 6 Cb 0.00 -3.60 0.04 0.00 -1.56 0.00 0.00 34.95 29.83 3kxq s ARG 6 CO 0.00 -0.52 1.10 -2.14 -0.81 0.00 0.00 175.30 172.93 3kxq s PRO 7 N 2.50 2.37 -0.10 5.12 0.02 -1.26 -4.85 135.00 138.80 3kxq s PRO 7 Ca 0.57 1.25 -0.03 0.00 0.02 0.00 0.00 61.00 62.81 3kxq s PRO 7 Cb -0.25 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.41 3kxq s PRO 7 CO 0.21 -1.56 0.13 0.12 -0.33 0.00 0.00 177.00 175.57 3kxq s PHE 8 N -2.72 -0.08 -0.26 6.54 5.36 -0.35 -0.89 117.98 125.57 3kxq s PHE 8 Ca 0.63 0.37 -0.03 0.00 -0.96 0.00 0.00 56.93 56.94 3kxq s PHE 8 Cb -0.18 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 42.14 3kxq s PHE 8 CO 0.52 -0.32 -0.01 0.42 -1.46 0.00 0.00 175.22 174.37 3kxq s ILE 9 N 2.25 3.25 -0.13 3.12 -1.09 0.07 -2.22 121.20 126.45 3kxq s ILE 9 Ca 0.04 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 3kxq s ILE 9 Cb -0.13 -2.66 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3kxq s ILE 9 CO -0.06 0.16 -0.14 0.00 -1.23 0.00 0.00 174.94 173.67 3kxq s ALA 10 N 1.38 2.59 -0.10 9.38 0.00 -0.18 -1.15 121.76 133.68 3kxq s ALA 10 Ca 0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 3kxq s ALA 10 Cb -0.17 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 3kxq s ALA 10 CO -0.02 0.25 -0.01 0.20 0.00 0.00 0.00 175.76 176.17 3kxq s GLY 11 N 0.36 1.80 -0.30 0.00 0.00 0.37 -0.49 107.32 109.06 3kxq s GLY 11 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3kxq s GLY 11 CO 0.06 -0.45 -0.01 0.21 0.00 0.00 0.00 173.10 172.91 3kxq s ASN 12 N -0.56 4.78 0.34 1.64 2.47 0.57 -0.33 114.94 123.85 3kxq s ASN 12 Ca 0.09 -1.51 0.27 0.00 0.42 0.00 0.00 52.86 52.13 3kxq s ASN 12 Cb -0.12 -1.66 1.11 0.00 -1.45 0.00 0.00 41.25 39.13 3kxq s ASN 12 CO 0.02 -0.28 1.79 -0.50 -3.72 0.00 0.00 177.10 174.41 3kxq h TRP 13 N 7.88 0.00 0.00 0.43 4.06 -1.66 -3.40 115.95 123.26 3kxq h TRP 13 Ca -0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.78 3kxq h TRP 13 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3kxq h TRP 13 CO 0.60 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 177.11 3kxq n LYS 14 N -2.48 0.00 -2.41 0.49 5.02 -1.26 -2.88 118.16 114.63 3kxq n LYS 14 Ca 0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 3kxq n LYS 14 Cb 0.25 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.26 3kxq n LYS 14 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3kxq n MET 15 N 14.00 4.50 -3.79 1.97 1.56 -1.26 -4.37 117.12 129.72 3kxq n MET 15 Ca 0.00 -3.94 -0.13 0.00 -0.27 0.00 0.00 57.70 53.35 3kxq n MET 15 Cb 0.00 -2.65 -0.14 0.00 2.15 0.00 0.00 33.22 32.57 3kxq n MET 15 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 3kxq s ASN 16 N -0.29 -0.05 0.00 6.12 0.01 -1.14 -5.13 114.94 114.46 3kxq s ASN 16 Ca 0.43 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.75 3kxq s ASN 16 Cb 0.14 0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.91 3kxq s ASN 16 CO -0.03 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 3kxq n GLY 17 N 3.70 4.00 1.21 0.66 0.00 -1.26 -4.47 105.19 109.03 3kxq n GLY 17 Ca -0.21 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 3kxq n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kxq n THR 18 N 0.00 0.00 0.18 2.61 -2.24 -1.26 -4.84 114.28 108.73 3kxq n THR 18 Ca 0.00 -0.91 0.16 0.00 -2.27 0.00 0.00 64.05 61.03 3kxq n THR 18 Cb 0.00 0.43 0.77 0.00 -2.10 0.00 0.00 70.33 69.44 3kxq n THR 18 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3kxq h GLY 19 N 0.74 0.00 2.00 3.38 0.00 -1.97 0.74 103.07 107.96 3kxq h GLY 19 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3kxq h GLY 19 CO 0.14 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.51 3kxq h GLU 20 N 0.00 0.00 -0.01 4.80 3.07 -2.05 -2.66 114.58 117.73 3kxq h GLU 20 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3kxq h GLU 20 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3kxq h GLU 20 CO -0.00 0.00 -0.10 0.43 -1.40 0.00 0.00 179.01 177.94 3kxq n SER 21 N -2.46 1.47 -0.06 1.42 7.64 0.25 -4.38 113.62 117.51 3kxq n SER 21 Ca 0.01 -1.34 -0.02 0.00 1.01 0.00 0.00 58.87 58.53 3kxq n SER 21 Cb 0.18 0.06 0.24 0.00 -1.01 0.00 0.00 64.21 63.68 3kxq n SER 21 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3kxq h LEU 22 N 2.15 0.62 -0.49 -3.43 3.38 -1.56 -1.55 115.31 114.43 3kxq h LEU 22 Ca 0.00 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3kxq h LEU 22 Cb 0.55 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3kxq h LEU 22 CO 0.00 0.67 0.11 1.23 0.09 0.00 0.00 178.44 180.54 3kxq h GLY 23 N 0.90 0.60 1.06 0.83 0.00 -1.83 0.66 103.07 105.30 3kxq h GLY 23 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 3kxq h GLY 23 CO 0.01 -0.05 0.21 -2.09 0.00 0.00 0.00 176.54 174.62 3kxq h GLU 24 N 0.25 1.14 -0.75 4.80 4.57 -1.68 -0.98 114.58 121.94 3kxq h GLU 24 Ca 0.24 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3kxq h GLU 24 Cb 0.31 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 3kxq h GLU 24 CO -0.30 0.98 0.36 1.25 -1.18 0.00 0.00 179.01 180.12 3kxq h LEU 25 N 1.09 0.98 -1.23 1.64 5.85 -0.90 -1.86 115.31 120.88 3kxq h LEU 25 Ca 0.23 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3kxq h LEU 25 Cb 0.33 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3kxq h LEU 25 CO -0.00 0.84 0.27 -0.09 -0.34 0.00 0.00 178.44 179.12 3kxq h ARG 26 N 1.05 0.80 -0.66 1.25 2.43 -0.29 -1.67 114.38 117.30 3kxq h ARG 26 Ca 0.26 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 3kxq h ARG 26 Cb 0.12 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3kxq h ARG 26 CO -0.03 0.62 0.08 0.00 -1.51 0.00 0.00 179.97 179.14 3kxq h ALA 27 N 1.50 0.91 -0.00 2.80 0.00 -0.71 1.00 119.26 124.75 3kxq h ALA 27 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kxq h ALA 27 Cb 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kxq h ALA 27 CO -0.03 0.67 0.00 0.82 0.00 0.00 0.00 179.25 180.71 3kxq h ILE 28 N 1.02 1.04 -0.99 0.00 2.04 -0.79 -2.16 117.51 117.67 3kxq h ILE 28 Ca 0.20 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.97 3kxq h ILE 28 Cb 0.47 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3kxq h ILE 28 CO 0.02 0.03 0.66 0.00 0.00 0.00 0.00 178.15 178.85 3kxq h ALA 29 N 0.95 1.29 0.00 1.87 0.00 -0.99 -2.58 119.26 119.80 3kxq h ALA 29 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3kxq h ALA 29 Cb 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3kxq h ALA 29 CO -0.00 0.61 -0.61 0.00 0.00 0.00 0.00 179.25 179.25 3kxq h ALA 30 N 1.38 0.88 0.00 0.00 0.00 -0.71 -1.28 119.26 119.54 3kxq h ALA 30 Ca 0.38 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3kxq h ALA 30 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kxq h ALA 30 CO -0.10 0.76 -0.27 0.78 0.00 0.00 0.00 179.25 180.41 3kxq h GLY 31 N 2.14 0.00 0.35 0.00 0.00 -1.00 -3.04 103.07 101.51 3kxq h GLY 31 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3kxq h GLY 31 CO 0.08 0.00 -0.21 -2.22 0.00 0.00 0.00 176.54 174.19 3kxq h ILE 32 N 0.00 1.60 0.00 2.60 1.08 -1.13 -3.52 117.51 118.14 3kxq h ILE 32 Ca -0.00 -2.06 -0.08 0.00 -0.39 0.00 0.00 64.86 62.33 3kxq h ILE 32 Cb 0.49 2.95 0.02 0.00 -3.07 0.00 0.00 36.82 37.21 3kxq h ILE 32 CO 0.04 0.56 0.81 -1.20 -0.69 0.00 0.00 178.15 177.66 3kxq n SER 33 N -4.53 0.09 -0.45 1.72 7.64 -0.54 -5.06 113.62 112.49 3kxq n SER 33 Ca -0.10 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.11 3kxq n SER 33 Cb 0.51 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3kxq n SER 33 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3kxq n PHE 40 N 4.92 0.00 -4.06 1.43 1.16 -1.26 -5.11 117.46 114.54 3kxq n PHE 40 Ca 0.06 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.35 3kxq n PHE 40 Cb 0.07 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.88 3kxq n PHE 40 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3kxq s GLU 41 N -4.09 2.89 0.03 3.97 2.02 -0.07 -4.98 118.70 118.46 3kxq s GLU 41 Ca 0.00 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.28 3kxq s GLU 41 Cb 0.00 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 3kxq s GLU 41 CO 0.00 0.54 -0.13 0.00 0.02 0.00 0.00 175.26 175.69 3kxq s ALA 42 N -1.52 1.09 -0.01 5.21 0.00 -1.26 -0.75 121.76 124.52 3kxq s ALA 42 Ca 0.30 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3kxq s ALA 42 Cb -0.11 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3kxq s ALA 42 CO 0.22 0.21 -0.04 -1.17 0.00 0.00 0.00 175.76 174.99 3kxq s LEU 43 N -0.94 1.77 -0.08 0.00 2.96 -0.30 -0.40 118.68 121.68 3kxq s LEU 43 Ca 0.02 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3kxq s LEU 43 Cb -0.07 -0.28 -0.00 0.00 0.50 0.00 0.00 46.19 46.34 3kxq s LEU 43 CO 0.01 0.02 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.21 3kxq s ILE 44 N 0.23 1.84 -0.37 6.68 -1.09 -0.38 -0.48 121.20 127.63 3kxq s ILE 44 Ca -0.02 -0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 57.41 3kxq s ILE 44 Cb -0.06 -1.59 0.05 0.00 -1.58 0.00 0.00 42.46 39.28 3kxq s ILE 44 CO -0.00 0.51 0.17 0.00 -1.23 0.00 0.00 174.94 174.39 3kxq s VAL 46 N 1.44 4.82 0.64 0.00 -7.23 -0.82 -1.87 120.40 117.38 3kxq s VAL 46 Ca 0.01 -1.19 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 3kxq s VAL 46 Cb -0.20 -3.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.10 3kxq s VAL 46 CO 0.03 -0.32 1.03 -2.65 -0.31 0.00 0.00 175.10 172.88 3kxq n PRO 47 N -1.22 0.85 0.12 4.82 -0.02 -1.26 -4.41 135.00 133.87 3kxq n PRO 47 Ca -0.08 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.80 3kxq n PRO 47 Cb 0.57 -2.26 0.54 0.00 -0.02 0.00 0.00 33.50 32.33 3kxq n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kxq h ALA 48 N 0.31 1.88 0.00 3.55 0.00 -1.95 -0.04 119.26 123.02 3kxq h ALA 48 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3kxq h ALA 48 Cb 1.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kxq h ALA 48 CO 0.50 0.10 -0.05 1.79 0.00 0.00 0.00 179.25 181.59 3kxq h THR 49 N 0.27 0.52 0.00 0.00 1.35 -1.95 -3.12 112.91 109.98 3kxq h THR 49 Ca 0.09 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3kxq h THR 49 Cb 0.03 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3kxq h THR 49 CO -0.02 0.04 -1.28 -0.11 -0.25 0.00 0.00 175.52 173.90 3kxq n LEU 50 N -3.75 0.52 -0.06 3.87 7.94 -0.05 -4.71 117.00 120.76 3kxq n LEU 50 Ca -0.03 -0.30 -0.07 0.00 -1.11 0.00 0.00 56.01 54.51 3kxq n LEU 50 Cb 0.14 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.08 3kxq n LEU 50 CO 0.28 0.13 0.80 0.25 -1.11 0.00 0.00 177.39 177.74 3kxq h LEU 51 N 0.00 -0.31 -0.87 -1.96 5.85 -1.43 -0.15 115.31 116.43 3kxq h LEU 51 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3kxq h LEU 51 Cb 0.62 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3kxq h LEU 51 CO 0.00 -0.12 0.44 0.77 -0.34 0.00 0.00 178.44 179.19 3kxq h SER 52 N -0.03 1.12 0.19 1.25 4.64 -1.81 -0.59 113.55 118.32 3kxq h SER 52 Ca 0.13 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 3kxq h SER 52 Cb 0.24 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3kxq h SER 52 CO -0.29 0.93 -0.47 0.03 -0.87 0.00 0.00 176.83 176.16 3kxq h ARG 53 N 1.23 0.34 -0.38 4.77 3.08 -1.77 -1.72 114.38 119.93 3kxq h ARG 53 Ca 0.30 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3kxq h ARG 53 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3kxq h ARG 53 CO -0.04 0.74 0.01 0.00 -1.07 0.00 0.00 179.97 179.61 3kxq h ALA 54 N 1.23 0.52 -0.56 0.04 0.00 -0.67 -2.81 119.26 117.02 3kxq h ALA 54 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3kxq h ALA 54 Cb 0.93 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3kxq h ALA 54 CO 0.08 0.28 0.17 0.35 0.00 0.00 0.00 179.25 180.12 3kxq h PHE 55 N 0.50 0.85 -0.55 0.00 3.57 -0.83 -0.96 116.94 119.52 3kxq h PHE 55 Ca 0.11 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3kxq h PHE 55 Cb 0.45 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3kxq h PHE 55 CO 0.04 0.69 0.27 -0.44 -2.23 0.00 0.00 178.31 176.64 3kxq h ASP 56 N 0.81 0.69 0.57 0.41 3.32 -1.07 0.62 116.42 121.77 3kxq h ASP 56 Ca 0.18 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3kxq h ASP 56 Cb 0.25 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3kxq h ASP 56 CO -0.01 0.58 -1.54 2.30 -1.72 0.00 0.00 179.24 178.85 3kxq n ILE 57 N -4.37 0.92 0.07 0.35 -5.35 -1.02 -4.59 119.36 105.36 3kxq n ILE 57 Ca 0.05 -0.65 0.03 0.00 -0.27 0.00 0.00 62.75 61.91 3kxq n ILE 57 Cb 0.12 -0.52 -0.05 0.00 -1.74 0.00 0.00 39.64 37.46 3kxq n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3kxq n LEU 58 N -2.73 0.07 -0.31 7.28 4.77 -0.39 -4.83 117.00 120.86 3kxq n LEU 58 Ca -0.10 -0.12 0.31 0.00 -0.03 0.00 0.00 56.01 56.07 3kxq n LEU 58 Cb 0.78 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.43 3kxq n LEU 58 CO 0.43 0.02 1.00 0.61 -1.33 0.00 0.00 177.39 178.12 3kxq n GLY 59 N 1.89 -0.71 0.12 -0.72 0.00 0.22 0.72 105.19 106.71 3kxq n GLY 59 Ca -0.01 0.75 -0.01 0.00 0.00 0.00 0.00 46.02 46.75 3kxq n GLY 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kxq h GLY 60 N 0.00 0.00 -0.87 -0.02 0.00 -1.88 -3.48 103.07 96.81 3kxq h GLY 60 Ca 0.80 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 47.69 3kxq h GLY 60 CO -0.69 0.00 0.40 -1.83 0.00 0.00 0.00 176.54 174.42 3kxq s GLU 61 N -3.17 0.22 0.20 4.80 -1.05 0.22 -4.96 118.70 114.96 3kxq s GLU 61 Ca 0.01 -0.48 -0.03 0.00 -0.15 0.00 0.00 54.97 54.31 3kxq s GLU 61 Cb 0.10 -1.80 0.14 0.00 -0.44 0.00 0.00 34.13 32.13 3kxq s GLU 61 CO 0.76 -2.69 1.54 -0.91 0.95 0.00 0.00 175.26 174.91 3kxq h ASN 62 N -1.84 0.64 -3.99 0.83 4.21 -1.88 -3.45 115.58 110.10 3kxq h ASN 62 Ca -0.44 -0.32 -0.54 0.00 1.21 0.00 0.00 56.30 56.21 3kxq h ASN 62 Cb 1.22 -0.18 0.11 0.00 -1.12 0.00 0.00 38.32 38.35 3kxq h ASN 62 CO 0.32 1.02 0.66 -0.51 -1.29 0.00 0.00 177.43 177.63 3kxq s ILE 63 N -4.13 2.23 0.21 2.81 2.07 -1.26 -4.83 121.20 118.29 3kxq s ILE 63 Ca -0.08 0.19 -0.11 0.00 -1.41 0.00 0.00 60.65 59.24 3kxq s ILE 63 Cb 0.12 -3.11 -0.07 0.00 0.13 0.00 0.00 42.46 39.52 3kxq s ILE 63 CO 0.84 0.02 0.56 -0.76 -1.91 0.00 0.00 174.94 173.69 3kxq s LEU 64 N -2.81 4.22 -0.07 8.50 1.43 0.47 -4.97 118.68 125.45 3kxq s LEU 64 Ca 0.62 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 3kxq s LEU 64 Cb -0.41 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 3kxq s LEU 64 CO 0.52 -0.02 -0.15 -0.22 0.23 0.00 0.00 176.35 176.71 3kxq s LEU 65 N -2.55 2.65 0.15 1.79 2.96 -1.26 -1.25 118.68 121.17 3kxq s LEU 65 Ca 0.45 -0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 3kxq s LEU 65 Cb -0.12 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3kxq s LEU 65 CO 0.20 0.30 0.05 -0.83 -1.32 0.00 0.00 176.35 174.75 3kxq s GLY 66 N -0.46 1.13 0.48 7.98 0.00 -0.19 -0.93 107.32 115.32 3kxq s GLY 66 Ca 0.06 -1.54 0.08 0.00 0.00 0.00 0.00 44.72 43.31 3kxq s GLY 66 CO 0.02 -1.43 0.52 -0.32 0.00 0.00 0.00 173.10 171.89 3kxq s GLY 67 N -3.11 2.04 0.00 0.20 0.00 -0.25 -1.94 107.32 104.27 3kxq s GLY 67 Ca 0.26 -1.79 0.12 0.00 0.00 0.00 0.00 44.72 43.30 3kxq s GLY 67 CO 0.04 -1.69 0.71 -1.06 0.00 0.00 0.00 173.10 171.10 3kxq n GLN 68 N -1.82 1.84 0.00 2.90 6.02 -1.26 -1.36 117.38 123.70 3kxq n GLN 68 Ca 0.07 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.34 3kxq n GLN 68 Cb 0.61 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.73 3kxq n GLN 68 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kxq n ASN 69 N -0.12 0.00 -3.83 1.08 5.15 -1.00 -4.49 115.26 112.04 3kxq n ASN 69 Ca 0.05 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.93 3kxq n ASN 69 Cb 0.25 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.44 3kxq n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kxq s HIS 71 N -3.90 3.01 -0.28 0.00 2.46 -0.33 -4.86 115.29 111.39 3kxq s HIS 71 Ca 0.11 0.80 0.20 0.00 0.47 0.00 0.00 55.06 56.64 3kxq s HIS 71 Cb 0.02 -3.43 0.14 0.00 -0.13 0.00 0.00 32.58 29.18 3kxq s HIS 71 CO -0.04 -1.69 1.37 0.27 -2.47 0.00 0.00 174.74 172.18 3kxq h PHE 72 N -1.00 0.00 -2.09 3.88 -5.15 -1.89 -3.42 116.94 107.27 3kxq h PHE 72 Ca -0.46 0.00 -0.47 0.00 -0.20 0.00 0.00 57.97 56.84 3kxq h PHE 72 Cb 1.32 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.47 3kxq h PHE 72 CO 0.34 0.23 -0.43 -0.51 -2.00 0.00 0.00 178.31 175.94 3kxq s ASP 73 N -6.09 6.02 0.27 -0.68 -0.00 -1.26 -4.55 116.67 110.38 3kxq s ASP 73 Ca 0.04 -0.08 0.08 0.00 -0.00 0.00 0.00 52.55 52.58 3kxq s ASP 73 Cb 0.07 -1.58 0.36 0.00 -0.00 0.00 0.00 42.92 41.76 3kxq s ASP 73 CO 0.73 -0.15 1.62 0.44 -0.00 0.00 0.00 175.17 177.81 3kxq h ASP 74 N 1.18 0.12 -4.96 0.27 3.32 -1.97 -3.42 116.42 110.97 3kxq h ASP 74 Ca -0.50 -0.07 0.22 0.00 0.02 0.00 0.00 57.03 56.71 3kxq h ASP 74 Cb 1.24 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 3kxq h ASP 74 CO 0.59 0.67 0.67 -0.72 -1.72 0.00 0.00 179.24 178.73 3kxq s TYR 75 N -3.77 -0.16 -5.00 4.55 -0.85 -1.26 -4.72 117.35 106.14 3kxq s TYR 75 Ca -0.03 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 3kxq s TYR 75 Cb 0.13 0.55 0.00 0.00 0.38 0.00 0.00 41.96 43.02 3kxq s TYR 75 CO 0.77 -0.44 0.00 0.41 -1.52 0.00 0.00 175.55 174.78 3kxq n GLY 76 N -0.31 0.53 2.88 5.49 0.00 -1.26 -4.98 105.19 107.54 3kxq n GLY 76 Ca -0.05 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3kxq n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kxq n PRO 77 N 0.00 3.34 -3.54 1.61 -0.04 -1.26 -4.76 135.00 130.36 3kxq n PRO 77 Ca 0.00 -3.23 -0.27 0.00 -0.04 0.00 0.00 63.50 59.95 3kxq n PRO 77 Cb 0.00 -3.07 -0.11 0.00 -0.04 0.00 0.00 33.50 30.28 3kxq n PRO 77 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kxq s TYR 78 N 1.52 1.79 0.12 0.54 2.02 -1.26 -5.10 117.35 116.98 3kxq s TYR 78 Ca 0.43 -2.61 -0.34 0.00 -0.37 0.00 0.00 57.07 54.18 3kxq s TYR 78 Cb 0.10 -1.43 -0.13 0.00 -0.40 0.00 0.00 41.96 40.10 3kxq s TYR 78 CO -0.02 -0.75 1.63 2.41 -1.57 0.00 0.00 175.55 177.25 3kxq n THR 79 N 2.61 0.10 -0.99 -0.71 -1.04 -1.26 -1.52 114.28 111.48 3kxq n THR 79 Ca 0.27 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 3kxq n THR 79 Cb 0.44 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 3kxq n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kxq n GLY 80 N 3.60 0.62 3.75 3.41 0.00 -1.26 -5.03 105.19 110.27 3kxq n GLY 80 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3kxq n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kxq s ASP 81 N -2.32 5.32 -0.12 1.61 1.01 -0.58 -5.12 116.67 116.47 3kxq s ASP 81 Ca 0.00 -0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.14 3kxq s ASP 81 Cb 0.00 -1.35 -0.01 0.00 1.01 0.00 0.00 42.92 42.58 3kxq s ASP 81 CO 0.00 0.13 -0.18 -0.63 0.21 0.00 0.00 175.17 174.70 3kxq s ILE 82 N -1.52 2.60 0.55 0.77 -1.09 -1.26 -4.99 121.20 116.27 3kxq s ILE 82 Ca 0.29 -0.82 -0.11 0.00 -2.23 0.00 0.00 60.65 57.78 3kxq s ILE 82 Cb -0.11 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.66 3kxq s ILE 82 CO 0.21 0.54 0.95 -0.94 -1.23 0.00 0.00 174.94 174.47 3kxq s SER 83 N 0.38 6.34 0.30 3.58 1.04 -1.26 -1.19 113.70 122.89 3kxq s SER 83 Ca -0.14 1.33 -0.01 0.00 0.48 0.00 0.00 55.95 57.61 3kxq s SER 83 Cb -0.17 -2.42 0.47 0.00 0.10 0.00 0.00 66.02 64.00 3kxq s SER 83 CO 0.07 -0.72 1.94 0.00 0.98 0.00 0.00 173.24 175.51 3kxq h ALA 84 N 0.16 1.45 -0.63 5.32 0.00 -1.81 -1.59 119.26 122.16 3kxq h ALA 84 Ca -0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3kxq h ALA 84 Cb 1.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3kxq h ALA 84 CO 0.62 0.47 0.33 0.74 0.00 0.00 0.00 179.25 181.40 3kxq h PHE 85 N 1.10 0.86 -0.63 0.00 0.04 -1.87 -0.76 116.94 115.68 3kxq h PHE 85 Ca 0.35 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 61.02 3kxq h PHE 85 Cb 0.02 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 3kxq h PHE 85 CO -0.00 0.62 0.08 0.52 -0.60 0.00 0.00 178.31 178.93 3kxq h MET 86 N 0.88 1.06 -0.00 1.51 2.86 -1.65 -0.93 114.93 118.66 3kxq h MET 86 Ca 0.22 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3kxq h MET 86 Cb 0.05 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3kxq h MET 86 CO -0.03 0.99 0.00 -0.07 1.06 0.00 0.00 176.91 178.86 3kxq h LEU 87 N 0.97 0.00 -0.22 1.22 3.38 -0.97 -1.37 115.31 118.33 3kxq h LEU 87 Ca 0.19 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3kxq h LEU 87 Cb 0.46 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3kxq h LEU 87 CO 0.02 0.16 -0.06 0.50 0.09 0.00 0.00 178.44 179.15 3kxq h LYS 88 N -0.16 -0.00 -0.03 1.13 1.63 -1.05 -0.58 116.57 117.50 3kxq h LYS 88 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 3kxq h LYS 88 Cb 0.16 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3kxq h LYS 88 CO -0.00 -0.00 -0.31 1.49 -3.45 0.00 0.00 179.45 177.18 3kxq h GLU 89 N -0.00 0.06 0.00 1.90 4.22 -1.10 -1.68 114.58 117.98 3kxq h GLU 89 Ca 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.53 3kxq h GLU 89 Cb 0.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kxq h GLU 89 CO -0.23 0.36 0.00 0.00 -2.18 0.00 0.00 179.01 176.97 3kxq n ALA 90 N -2.48 2.01 0.00 2.92 0.00 -0.52 -4.93 120.51 117.51 3kxq n ALA 90 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kxq n ALA 90 Cb 0.36 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3kxq n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxq n GLY 91 N 0.75 1.01 3.78 0.00 0.00 -0.63 -3.64 105.19 106.45 3kxq n GLY 91 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3kxq n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxq s ALA 92 N -1.89 3.19 -0.23 4.61 0.00 -0.28 -4.72 121.76 122.44 3kxq s ALA 92 Ca 0.00 0.69 0.14 0.00 0.00 0.00 0.00 51.96 52.79 3kxq s ALA 92 Cb 0.00 -3.26 -0.19 0.00 0.00 0.00 0.00 23.12 19.67 3kxq s ALA 92 CO 0.00 -0.09 0.40 -1.13 0.00 0.00 0.00 175.76 174.94 3kxq n SER 93 N 0.39 1.41 -4.12 0.00 3.41 -0.11 -4.27 113.62 110.33 3kxq n SER 93 Ca 0.03 -0.28 -0.11 0.00 -0.26 0.00 0.00 58.87 58.25 3kxq n SER 93 Cb 0.49 1.42 -0.10 0.00 -0.26 0.00 0.00 64.21 65.75 3kxq n SER 93 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3kxq s HIS 94 N -2.73 0.76 -0.08 7.33 3.76 -1.21 -1.25 115.29 121.87 3kxq s HIS 94 Ca -0.02 -0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 54.06 3kxq s HIS 94 Cb 0.09 -0.45 0.03 0.00 1.11 0.00 0.00 32.58 33.36 3kxq s HIS 94 CO 0.57 -0.15 0.19 0.54 -0.85 0.00 0.00 174.74 175.03 3kxq s VAL 95 N -2.86 -0.03 0.13 -0.90 0.11 -0.47 -1.08 120.40 115.29 3kxq s VAL 95 Ca 0.03 0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 3kxq s VAL 95 Cb 0.00 -0.29 -0.06 0.00 -1.53 0.00 0.00 36.38 34.50 3kxq s VAL 95 CO -0.04 0.04 1.09 -0.63 -3.33 0.00 0.00 175.10 172.24 3kxq s ILE 96 N 0.81 4.09 -0.02 7.04 1.01 -0.46 -0.47 121.20 133.19 3kxq s ILE 96 Ca -0.06 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.29 3kxq s ILE 96 Cb -0.07 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3kxq s ILE 96 CO -0.05 0.24 -0.03 -0.63 0.00 0.00 0.00 174.94 174.48 3kxq s ILE 97 N 0.19 0.31 -0.07 2.92 1.01 -0.09 -2.39 121.20 123.08 3kxq s ILE 97 Ca 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3kxq s ILE 97 Cb -0.28 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 41.86 3kxq s ILE 97 CO 0.32 0.14 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3kxq n GLY 98 N 3.65 0.41 3.66 6.18 0.00 -1.26 -1.44 105.19 116.39 3kxq n GLY 98 Ca -0.21 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 3kxq n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kxq n HIS 99 N -3.26 1.73 -0.21 1.61 -0.00 -1.26 -4.41 115.22 109.40 3kxq n HIS 99 Ca -0.01 0.54 0.20 0.00 0.46 0.00 0.00 57.72 58.91 3kxq n HIS 99 Cb 0.16 -2.31 0.54 0.00 -0.12 0.00 0.00 29.99 28.26 3kxq n HIS 99 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3kxq h SER 100 N 1.88 0.34 0.21 0.26 4.64 -1.95 -0.04 113.55 118.90 3kxq h SER 100 Ca -0.46 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 3kxq h SER 100 Cb 1.31 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kxq h SER 100 CO 0.59 0.14 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.26 3kxq h GLU 101 N 0.34 0.00 0.01 4.77 5.08 -2.01 -3.09 114.58 119.68 3kxq h GLU 101 Ca 0.44 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.46 3kxq h GLU 101 Cb 1.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 3kxq h GLU 101 CO -0.14 0.10 -2.14 0.54 -1.00 0.00 0.00 179.01 176.38 3kxq n ARG 102 N -3.93 0.67 -0.31 2.33 1.74 -0.15 -3.80 116.66 113.23 3kxq n ARG 102 Ca -0.02 0.15 -0.02 0.00 -0.77 0.00 0.00 57.85 57.18 3kxq n ARG 102 Cb 0.20 -1.63 0.10 0.00 -1.02 0.00 0.00 32.46 30.11 3kxq n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kxq h ARG 103 N 0.01 1.02 0.00 5.56 3.08 -1.16 -0.61 114.38 122.28 3kxq h ARG 103 Ca -0.45 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 3kxq h ARG 103 Cb 2.10 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.92 3kxq h ARG 103 CO 0.04 0.68 -0.00 1.79 -1.07 0.00 0.00 179.97 181.40 3kxq h THR 104 N 1.06 0.00 -0.41 2.04 1.35 -1.79 -1.74 112.91 113.41 3kxq h THR 104 Ca 0.33 -0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 66.09 3kxq h THR 104 Cb -0.01 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.40 3kxq h THR 104 CO -0.11 0.00 -0.15 0.58 -0.25 0.00 0.00 175.52 175.59 3kxq h VAL 105 N -0.01 1.26 -0.43 6.82 2.07 -1.65 -2.98 116.25 121.33 3kxq h VAL 105 Ca -0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3kxq h VAL 105 Cb 0.00 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3kxq h VAL 105 CO 0.00 0.41 0.00 -1.22 0.02 0.00 0.00 177.57 176.78 3kxq n TYR 106 N -4.15 0.57 -3.92 1.57 4.01 -0.24 -4.99 117.16 110.01 3kxq n TYR 106 Ca 0.01 -0.40 -0.26 0.00 -0.16 0.00 0.00 57.90 57.09 3kxq n TYR 106 Cb 0.39 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.39 3kxq n TYR 106 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kxq n GLN 107 N 1.03 -3.23 -2.69 -0.72 1.13 -0.99 -4.87 117.38 107.04 3kxq n GLN 107 Ca 0.16 0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 3kxq n GLN 107 Cb 0.50 -4.52 -0.03 0.00 0.11 0.00 0.00 30.24 26.30 3kxq n GLN 107 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3kxq s GLU 108 N -6.48 3.22 0.94 -1.09 2.02 -0.69 -5.00 118.70 111.61 3kxq s GLU 108 Ca 0.04 -0.39 -0.12 0.00 0.02 0.00 0.00 54.97 54.52 3kxq s GLU 108 Cb -0.01 -4.16 0.15 0.00 0.10 0.00 0.00 34.13 30.21 3kxq s GLU 108 CO 0.88 -1.90 1.12 -1.54 0.02 0.00 0.00 175.26 173.83 3kxq s SER 109 N 3.52 3.20 0.40 -0.19 1.04 -1.26 -4.67 113.70 115.75 3kxq s SER 109 Ca 0.31 1.08 0.07 0.00 0.48 0.00 0.00 55.95 57.89 3kxq s SER 109 Cb -0.11 -1.70 0.84 0.00 0.10 0.00 0.00 66.02 65.14 3kxq s SER 109 CO 0.15 -2.76 2.03 0.44 0.98 0.00 0.00 173.24 174.09 3kxq h ASP 110 N -1.64 0.45 -0.48 7.02 3.32 -1.95 -0.89 116.42 122.25 3kxq h ASP 110 Ca -0.52 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.39 3kxq h ASP 110 Cb 1.33 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3kxq h ASP 110 CO 0.60 0.36 -0.17 0.00 -1.72 0.00 0.00 179.24 178.30 3kxq h ALA 111 N 1.72 0.67 -0.76 3.45 0.00 -1.93 -0.00 119.26 122.41 3kxq h ALA 111 Ca 0.14 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3kxq h ALA 111 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kxq h ALA 111 CO -0.02 0.63 0.50 0.82 0.00 0.00 0.00 179.25 181.17 3kxq h ILE 112 N 0.83 1.17 -0.34 0.00 2.04 -1.78 -2.11 117.51 117.33 3kxq h ILE 112 Ca 0.12 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3kxq h ILE 112 Cb 0.75 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3kxq h ILE 112 CO 0.06 0.18 0.06 0.58 0.00 0.00 0.00 178.15 179.03 3kxq h VAL 113 N 1.00 1.23 -0.57 1.67 2.07 -0.89 -1.76 116.25 119.01 3kxq h VAL 113 Ca 0.28 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3kxq h VAL 113 Cb -0.08 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3kxq h VAL 113 CO -0.07 0.27 0.29 -0.09 0.02 0.00 0.00 177.57 177.98 3kxq h ARG 114 N 0.39 0.53 -0.69 1.57 2.43 -0.84 -0.80 114.38 116.97 3kxq h ARG 114 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3kxq h ARG 114 Cb 0.34 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3kxq h ARG 114 CO 0.01 0.35 0.33 0.00 -1.51 0.00 0.00 179.97 179.14 3kxq h ALA 115 N 1.31 1.29 -0.41 2.80 0.00 -1.06 -1.13 119.26 122.06 3kxq h ALA 115 Ca 0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kxq h ALA 115 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kxq h ALA 115 CO -0.18 0.55 0.08 0.87 0.00 0.00 0.00 179.25 180.57 3kxq h LYS 116 N 0.97 0.67 -0.59 0.00 1.57 -0.65 -2.13 116.57 116.41 3kxq h LYS 116 Ca 0.24 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3kxq h LYS 116 Cb 0.10 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3kxq h LYS 116 CO -0.03 0.71 0.36 0.28 -0.57 0.00 0.00 179.45 180.20 3kxq h VAL 117 N 0.53 1.07 -0.79 0.50 2.07 -0.79 -0.99 116.25 117.85 3kxq h VAL 117 Ca 0.13 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kxq h VAL 117 Cb 0.35 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3kxq h VAL 117 CO 0.01 0.13 0.49 1.56 0.02 0.00 0.00 177.57 179.78 3kxq h GLN 118 N 0.71 1.06 -0.43 1.57 4.20 -1.05 -1.22 115.11 119.96 3kxq h GLN 118 Ca 0.24 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3kxq h GLN 118 Cb 0.02 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3kxq h GLN 118 CO -0.10 0.73 0.21 0.00 -0.67 0.00 0.00 178.83 179.00 3kxq h ALA 119 N 1.27 0.55 -0.45 3.87 0.00 -1.02 -1.87 119.26 121.61 3kxq h ALA 119 Ca 0.29 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3kxq h ALA 119 Cb -0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 3kxq h ALA 119 CO -0.06 0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.32 3kxq h ALA 120 N 1.06 0.43 -0.71 0.00 0.00 -0.59 -2.17 119.26 117.27 3kxq h ALA 120 Ca 0.15 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3kxq h ALA 120 Cb 0.11 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kxq h ALA 120 CO -0.02 -0.38 0.26 -1.49 0.00 0.00 0.00 179.25 177.62 3kxq h TRP 121 N 0.13 1.10 -0.70 0.00 6.55 -1.08 -0.07 115.95 121.87 3kxq h TRP 121 Ca 0.23 -0.09 0.09 0.00 0.95 0.00 0.00 58.89 60.07 3kxq h TRP 121 Cb 0.32 -0.33 -0.05 0.00 -0.86 0.00 0.00 29.16 28.25 3kxq h TRP 121 CO -0.28 0.85 0.46 0.00 -1.05 0.00 0.00 178.44 178.42 3kxq h ARG 122 N 1.04 0.58 -0.01 0.49 3.08 -0.74 -1.54 114.38 117.28 3kxq h ARG 122 Ca 0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3kxq h ARG 122 Cb 0.24 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kxq h ARG 122 CO -0.02 0.38 -0.19 0.00 -1.07 0.00 0.00 179.97 179.08 3kxq n ALA 123 N -2.48 2.93 -0.70 0.04 0.00 -0.85 -4.94 120.51 114.51 3kxq n ALA 123 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3kxq n ALA 123 Cb 0.33 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3kxq n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxq n GLY 124 N 1.33 0.59 3.87 0.00 0.00 -0.58 -4.88 105.19 105.51 3kxq n GLY 124 Ca 0.13 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3kxq n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxq s LEU 125 N 0.00 4.13 -0.09 0.99 1.43 -0.11 -4.95 118.68 120.07 3kxq s LEU 125 Ca 0.00 0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 53.83 3kxq s LEU 125 Cb 0.00 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 3kxq s LEU 125 CO 0.00 -0.12 0.69 -0.69 0.23 0.00 0.00 176.35 176.46 3kxq s VAL 126 N -1.89 5.04 -0.21 -1.59 1.01 -0.38 -3.92 120.40 118.47 3kxq s VAL 126 Ca 0.48 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.68 3kxq s VAL 126 Cb -0.11 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3kxq s VAL 126 CO 0.22 0.23 0.51 0.00 0.00 0.00 0.00 175.10 176.06 3kxq s ALA 127 N 0.97 3.55 -0.62 5.51 0.00 -0.73 -1.37 121.76 129.06 3kxq s ALA 127 Ca 0.36 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.72 3kxq s ALA 127 Cb -0.17 -2.82 0.16 0.00 0.00 0.00 0.00 23.12 20.29 3kxq s ALA 127 CO 0.16 -0.49 0.58 -1.17 0.00 0.00 0.00 175.76 174.84 3kxq s LEU 128 N 1.75 6.34 -0.18 0.00 0.20 0.37 -1.20 118.68 125.97 3kxq s LEU 128 Ca 0.23 -2.07 -0.20 0.00 0.69 0.00 0.00 54.13 52.78 3kxq s LEU 128 Cb -0.15 -2.20 -0.03 0.00 -0.43 0.00 0.00 46.19 43.37 3kxq s LEU 128 CO 0.09 -0.76 0.58 -0.63 -0.29 0.00 0.00 176.35 175.34 3kxq s ILE 129 N 1.15 5.07 -0.13 6.68 1.01 0.50 -0.91 121.20 134.56 3kxq s ILE 129 Ca 0.08 1.10 -0.07 0.00 0.00 0.00 0.00 60.65 61.75 3kxq s ILE 129 Cb -0.24 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3kxq s ILE 129 CO -0.01 0.17 0.13 0.00 0.00 0.00 0.00 174.94 175.23 3kxq s VAL 131 N -0.74 0.64 0.00 0.00 -7.23 -0.35 -4.66 120.40 108.06 3kxq s VAL 131 Ca 0.13 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 3kxq s VAL 131 Cb -0.12 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.51 3kxq s VAL 131 CO 0.03 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3kxq n GLY 132 N -0.33 3.84 3.91 2.32 0.00 -1.26 -0.13 105.19 113.55 3kxq n GLY 132 Ca -0.04 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3kxq n GLY 132 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kxq s GLU 133 N -2.39 3.49 0.81 1.61 1.03 -1.25 -4.81 118.70 117.19 3kxq s GLU 133 Ca 0.00 -0.33 -0.12 0.00 0.03 0.00 0.00 54.97 54.55 3kxq s GLU 133 Cb 0.00 -2.99 0.08 0.00 -0.80 0.00 0.00 34.13 30.42 3kxq s GLU 133 CO 0.00 0.57 1.17 0.95 -1.33 0.00 0.00 175.26 176.62 3kxq s THR 134 N -1.54 2.12 0.12 1.83 -4.23 -1.26 -1.65 115.64 111.03 3kxq s THR 134 Ca 0.36 0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.71 3kxq s THR 134 Cb -0.13 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 3kxq s THR 134 CO 0.27 -0.05 1.71 0.25 -0.54 0.00 0.00 174.62 176.25 3kxq h LEU 135 N -1.08 -0.18 -1.25 4.79 5.85 -1.80 -0.17 115.31 121.48 3kxq h LEU 135 Ca -0.46 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3kxq h LEU 135 Cb 1.32 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 3kxq h LEU 135 CO 0.65 -0.06 0.35 -0.33 -0.34 0.00 0.00 178.44 178.71 3kxq h GLU 136 N -0.01 0.86 -0.39 1.25 3.07 -1.95 0.92 114.58 118.34 3kxq h GLU 136 Ca 0.08 -0.09 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3kxq h GLU 136 Cb 0.14 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3kxq h GLU 136 CO -0.18 0.63 -0.19 0.93 -1.40 0.00 0.00 179.01 178.79 3kxq h GLU 137 N 0.87 0.81 -0.31 2.33 5.08 -1.80 -0.79 114.58 120.77 3kxq h GLU 137 Ca 0.22 -0.36 -0.17 0.00 -1.00 0.00 0.00 59.36 58.05 3kxq h GLU 137 Cb 0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3kxq h GLU 137 CO -0.04 0.99 -0.49 -0.09 -1.00 0.00 0.00 179.01 178.38 3kxq h ARG 138 N 0.62 0.87 -0.22 2.33 2.43 -0.62 -0.92 114.38 118.86 3kxq h ARG 138 Ca 0.09 -0.53 -0.03 0.00 -0.81 0.00 0.00 59.98 58.70 3kxq h ARG 138 Cb 0.75 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3kxq h ARG 138 CO 0.06 1.17 0.03 0.87 -1.51 0.00 0.00 179.97 180.58 3kxq h LYS 139 N 0.66 0.32 0.00 0.20 1.57 -0.76 -1.22 116.57 117.34 3kxq h LYS 139 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kxq h LYS 139 Cb 1.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3kxq h LYS 139 CO 0.11 0.33 0.00 0.43 -0.57 0.00 0.00 179.45 179.75 3kxq n SER 140 N -4.38 0.00 -3.70 0.86 7.64 -0.31 -4.89 113.62 108.84 3kxq n SER 140 Ca 0.00 -1.05 -0.26 0.00 1.01 0.00 0.00 58.87 58.57 3kxq n SER 140 Cb 0.17 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.44 3kxq n SER 140 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3kxq n ASN 141 N -0.83 -5.91 -0.73 6.43 2.85 -0.46 -4.94 115.26 111.67 3kxq n ASN 141 Ca 0.12 -0.61 0.07 0.00 -0.11 0.00 0.00 54.58 54.05 3kxq n ASN 141 Cb 0.06 -4.66 0.20 0.00 1.24 0.00 0.00 39.78 36.62 3kxq n ASN 141 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3kxq n LYS 142 N -4.91 2.85 0.01 1.20 4.76 -0.37 -4.79 118.16 116.92 3kxq n LYS 142 Ca 0.02 -2.46 -0.10 0.00 -2.87 0.00 0.00 58.31 52.90 3kxq n LYS 142 Cb 0.55 -1.57 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 3kxq n LYS 142 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3kxq h VAL 143 N 1.77 0.68 -0.03 -0.18 2.07 -1.86 0.32 116.25 119.02 3kxq h VAL 143 Ca 0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 3kxq h VAL 143 Cb 1.10 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3kxq h VAL 143 CO 0.12 0.00 -0.73 -0.07 0.02 0.00 0.00 177.57 176.91 3kxq h LEU 144 N -0.16 0.20 -0.61 2.57 3.38 -1.96 -1.73 115.31 117.00 3kxq h LEU 144 Ca 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3kxq h LEU 144 Cb 0.26 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3kxq h LEU 144 CO -0.19 0.86 0.28 0.44 0.09 0.00 0.00 178.44 179.92 3kxq h ASP 145 N 0.11 0.82 -0.15 -0.43 3.32 -1.78 -0.20 116.42 118.12 3kxq h ASP 145 Ca -0.02 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3kxq h ASP 145 Cb 1.29 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3kxq h ASP 145 CO 0.11 0.74 0.00 0.58 -1.72 0.00 0.00 179.24 178.95 3kxq h VAL 146 N 0.85 1.25 -0.80 -1.35 2.07 -0.75 -2.37 116.25 115.15 3kxq h VAL 146 Ca 0.21 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3kxq h VAL 146 Cb 0.15 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3kxq h VAL 146 CO -0.02 0.24 0.32 -0.07 0.02 0.00 0.00 177.57 178.06 3kxq h LEU 147 N 0.00 1.10 -0.41 2.57 3.38 -1.25 0.72 115.31 121.42 3kxq h LEU 147 Ca 0.04 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3kxq h LEU 147 Cb 0.36 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3kxq h LEU 147 CO 0.01 0.97 0.15 0.74 0.09 0.00 0.00 178.44 180.40 3kxq h THR 148 N 1.17 0.88 -0.09 0.22 2.02 -0.94 -0.05 112.91 116.12 3kxq h THR 148 Ca 0.27 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3kxq h THR 148 Cb 0.21 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3kxq h THR 148 CO -0.02 0.06 -0.02 -0.09 0.37 0.00 0.00 175.52 175.81 3kxq h ARG 149 N 0.32 0.17 -0.47 6.66 2.43 -1.08 -2.68 114.38 119.73 3kxq h ARG 149 Ca 0.19 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3kxq h ARG 149 Cb 0.17 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3kxq h ARG 149 CO -0.19 0.50 0.18 1.96 -1.51 0.00 0.00 179.97 180.90 3kxq h GLN 150 N -0.17 0.71 -0.53 0.20 4.20 -0.74 -0.35 115.11 118.42 3kxq h GLN 150 Ca 0.02 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 3kxq h GLN 150 Cb 0.44 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3kxq h GLN 150 CO 0.01 0.65 0.16 -0.07 -0.67 0.00 0.00 178.83 178.91 3kxq h LEU 151 N 0.61 0.78 0.30 1.46 3.38 -1.05 -0.07 115.31 120.73 3kxq h LEU 151 Ca 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kxq h LEU 151 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kxq h LEU 151 CO -0.01 0.78 -0.14 -0.08 0.09 0.00 0.00 178.44 179.08 3kxq h GLU 152 N 0.74 -0.39 -0.06 1.13 4.57 -1.36 -3.11 114.58 116.10 3kxq h GLU 152 Ca 0.17 0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.23 3kxq h GLU 152 Cb 0.29 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3kxq h GLU 152 CO -0.00 -0.18 -0.62 0.78 -1.18 0.00 0.00 179.01 177.81 3kxq h GLY 153 N -0.53 0.22 1.85 1.92 0.00 -1.00 -3.28 103.07 102.26 3kxq h GLY 153 Ca -0.04 -0.28 -0.22 0.00 0.00 0.00 0.00 47.33 46.78 3kxq h GLY 153 CO 0.07 0.25 -1.10 1.76 0.00 0.00 0.00 176.54 177.52 3kxq h SER 154 N 0.15 0.03 -3.49 0.19 0.02 -1.10 -3.40 113.55 105.95 3kxq h SER 154 Ca -0.01 -0.04 -0.61 0.00 -0.84 0.00 0.00 61.79 60.30 3kxq h SER 154 Cb 1.12 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.54 3kxq h SER 154 CO 0.09 1.03 0.10 -0.76 -1.14 0.00 0.00 176.83 176.15 3kxq s LEU 155 N -6.67 4.08 0.69 5.07 1.02 -1.18 -3.41 118.68 118.27 3kxq s LEU 155 Ca -0.00 0.68 -0.13 0.00 0.02 0.00 0.00 54.13 54.70 3kxq s LEU 155 Cb 0.10 -2.80 0.01 0.00 0.02 0.00 0.00 46.19 43.52 3kxq s LEU 155 CO 0.82 -0.32 1.08 -2.84 0.02 0.00 0.00 176.35 175.11 3kxq s PRO 156 N 2.30 2.79 0.56 1.29 0.02 -1.26 -4.91 135.00 135.79 3kxq s PRO 156 Ca 0.25 1.15 -0.21 0.00 0.02 0.00 0.00 61.00 62.22 3kxq s PRO 156 Cb -0.16 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 3kxq s PRO 156 CO 0.09 -1.23 1.21 -0.25 -0.33 0.00 0.00 177.00 176.49 3kxq n ASP 157 N -2.88 1.95 0.00 2.53 8.00 -1.26 -2.82 116.55 122.06 3kxq n ASP 157 Ca 0.09 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.50 3kxq n ASP 157 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 3kxq n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kxq n GLY 158 N 0.97 0.55 3.77 0.44 0.00 -1.26 -5.06 105.19 104.59 3kxq n GLY 158 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3kxq n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxq s ALA 159 N -2.21 3.09 0.20 4.61 0.00 -1.13 -5.00 121.76 121.33 3kxq s ALA 159 Ca 0.00 1.08 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 3kxq s ALA 159 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3kxq s ALA 159 CO 0.00 -0.75 0.10 0.95 0.00 0.00 0.00 175.76 176.06 3kxq s THR 160 N -1.39 0.24 -0.38 0.00 -4.23 -1.26 -5.00 115.64 103.61 3kxq s THR 160 Ca 0.61 -1.99 0.24 0.00 -1.18 0.00 0.00 61.69 59.37 3kxq s THR 160 Cb -0.33 -2.44 0.26 0.00 1.34 0.00 0.00 72.50 71.32 3kxq s THR 160 CO 0.41 -0.11 1.73 0.00 -0.54 0.00 0.00 174.62 176.12 3kxq h ALA 161 N 2.59 1.00 0.00 3.99 0.00 -1.84 -2.70 119.26 122.31 3kxq h ALA 161 Ca -0.37 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.28 3kxq h ALA 161 Cb 1.24 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3kxq h ALA 161 CO 0.57 0.00 -1.46 0.93 0.00 0.00 0.00 179.25 179.29 3kxq h GLU 162 N 0.00 0.01 -0.01 0.00 3.07 -1.95 -3.41 114.58 112.29 3kxq h GLU 162 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3kxq h GLU 162 Cb 0.32 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3kxq h GLU 162 CO 0.00 0.69 -0.22 0.27 -1.40 0.00 0.00 179.01 178.35 3kxq n ASN 163 N -3.17 1.55 -4.12 1.42 0.23 -1.08 -4.84 115.26 105.25 3kxq n ASN 163 Ca -0.11 -1.27 -0.10 0.00 -0.53 0.00 0.00 54.58 52.57 3kxq n ASN 163 Cb 1.01 0.38 -0.10 0.00 -2.08 0.00 0.00 39.78 38.99 3kxq n ASN 163 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3kxq s ILE 164 N -1.53 0.53 -0.00 1.53 -4.36 -1.04 -1.78 121.20 114.55 3kxq s ILE 164 Ca 0.12 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 3kxq s ILE 164 Cb 0.11 -1.40 -0.00 0.00 1.25 0.00 0.00 42.46 42.42 3kxq s ILE 164 CO 0.30 -0.80 -0.03 -0.63 0.24 0.00 0.00 174.94 174.02 3kxq s ILE 165 N -3.22 0.21 -0.10 8.37 1.01 -0.34 -4.60 121.20 122.54 3kxq s ILE 165 Ca 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 3kxq s ILE 165 Cb 0.03 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 3kxq s ILE 165 CO -0.05 0.05 -0.02 -0.63 0.00 0.00 0.00 174.94 174.29 3kxq s ILE 166 N -0.08 4.13 -0.14 2.92 1.01 -0.43 -0.37 121.20 128.24 3kxq s ILE 166 Ca 0.01 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3kxq s ILE 166 Cb -0.01 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.72 3kxq s ILE 166 CO -0.00 0.58 -0.20 0.00 0.00 0.00 0.00 174.94 175.32 3kxq s ALA 167 N -0.59 2.33 -0.28 9.38 0.00 0.42 -0.13 121.76 132.89 3kxq s ALA 167 Ca 0.09 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.80 3kxq s ALA 167 Cb -0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3kxq s ALA 167 CO 0.02 0.02 0.62 -0.47 0.00 0.00 0.00 175.76 175.96 3kxq s TYR 168 N 0.73 3.25 -0.31 0.00 5.04 -0.39 -1.21 117.35 124.45 3kxq s TYR 168 Ca -0.08 0.69 -0.09 0.00 -2.44 0.00 0.00 57.07 55.14 3kxq s TYR 168 Cb -0.16 -2.91 0.00 0.00 0.35 0.00 0.00 41.96 39.24 3kxq s TYR 168 CO 0.00 -0.40 0.14 -1.21 -1.34 0.00 0.00 175.55 172.75 3kxq s GLU 169 N 2.55 3.22 -1.31 4.97 2.02 0.82 -0.02 118.70 130.95 3kxq s GLU 169 Ca 0.25 -0.80 -0.17 0.00 0.02 0.00 0.00 54.97 54.28 3kxq s GLU 169 Cb -0.15 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.56 3kxq s GLU 169 CO 0.10 -0.46 2.01 -0.35 0.02 0.00 0.00 175.26 176.59 3kxq n PRO 170 N 4.96 2.71 -0.31 0.39 -0.04 -1.26 -3.83 135.00 137.61 3kxq n PRO 170 Ca -0.14 -2.72 0.24 0.00 -0.04 0.00 0.00 63.50 60.84 3kxq n PRO 170 Cb 0.48 -3.35 0.55 0.00 -0.04 0.00 0.00 33.50 31.14 3kxq n PRO 170 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kxq h VAL 171 N 4.73 0.51 -0.05 0.52 2.07 -1.83 0.59 116.25 122.79 3kxq h VAL 171 Ca 0.49 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.91 3kxq h VAL 171 Cb 0.74 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kxq h VAL 171 CO 1.71 0.06 0.22 4.11 0.02 0.00 0.00 177.57 183.69 3kxq h TRP 172 N 0.33 0.00 -0.81 1.57 5.08 -1.52 -3.41 115.95 117.18 3kxq h TRP 172 Ca 0.58 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.55 3kxq h TRP 172 Cb 1.59 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.75 3kxq h TRP 172 CO -0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3kxq n ALA 173 N -2.04 0.00 0.00 0.11 0.00 0.20 -4.56 120.51 114.22 3kxq n ALA 173 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kxq n ALA 173 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3kxq n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kxq n ALA 180 N -3.00 0.00 -2.53 0.00 0.00 -1.26 -5.05 120.51 108.68 3kxq n ALA 180 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3kxq n ALA 180 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kxq n ALA 180 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kxq s THR 181 N -0.22 4.72 0.46 0.00 -4.23 -1.26 -4.97 115.64 110.14 3kxq s THR 181 Ca 0.00 -0.45 0.24 0.00 -1.18 0.00 0.00 61.69 60.31 3kxq s THR 181 Cb 0.00 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.39 3kxq s THR 181 CO 0.00 -0.50 2.09 0.77 -0.54 0.00 0.00 174.62 176.44 3kxq h SER 182 N 0.61 0.00 -0.45 3.99 4.64 -1.99 -0.74 113.55 119.61 3kxq h SER 182 Ca -0.48 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 3kxq h SER 182 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3kxq h SER 182 CO 0.60 0.11 0.09 0.00 -0.87 0.00 0.00 176.83 176.76 3kxq h ALA 183 N 1.89 0.59 -0.31 5.18 0.00 -1.99 0.67 119.26 125.30 3kxq h ALA 183 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3kxq h ALA 183 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3kxq h ALA 183 CO 0.01 0.29 0.11 -0.44 0.00 0.00 0.00 179.25 179.23 3kxq h ASP 184 N 0.60 0.12 -0.45 0.00 3.32 -1.70 -2.14 116.42 116.17 3kxq h ASP 184 Ca 0.14 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3kxq h ASP 184 Cb 0.35 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3kxq h ASP 184 CO 0.00 0.10 0.08 0.58 -1.72 0.00 0.00 179.24 178.29 3kxq h VAL 185 N 0.24 1.24 -0.74 -1.35 2.07 -1.03 -2.44 116.25 114.25 3kxq h VAL 185 Ca 0.14 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3kxq h VAL 185 Cb 0.11 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3kxq h VAL 185 CO -0.14 0.31 0.45 0.00 0.02 0.00 0.00 177.57 178.21 3kxq h ALA 186 N 0.95 0.98 -0.29 1.67 0.00 -0.74 0.05 119.26 121.89 3kxq h ALA 186 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kxq h ALA 186 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kxq h ALA 186 CO 0.01 0.21 0.13 1.49 0.00 0.00 0.00 179.25 181.09 3kxq h GLU 187 N 0.87 0.42 -0.14 0.00 4.81 -1.21 -1.14 114.58 118.18 3kxq h GLU 187 Ca 0.31 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3kxq h GLU 187 Cb 0.07 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kxq h GLU 187 CO -0.13 0.41 -0.05 0.28 -0.73 0.00 0.00 179.01 178.79 3kxq h VAL 188 N 0.33 1.30 -0.53 0.32 2.07 -1.09 -2.25 116.25 116.39 3kxq h VAL 188 Ca 0.10 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 3kxq h VAL 188 Cb 0.13 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3kxq h VAL 188 CO -0.01 0.30 0.12 0.45 0.02 0.00 0.00 177.57 178.45 3kxq h HIS 189 N -0.04 0.84 -0.60 1.57 3.86 -0.91 0.35 115.15 120.22 3kxq h HIS 189 Ca 0.03 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3kxq h HIS 189 Cb 0.49 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 3kxq h HIS 189 CO 0.06 0.71 0.30 0.00 0.86 0.00 0.00 177.93 179.86 3kxq h ALA 190 N 1.35 0.78 -0.29 2.45 0.00 -1.16 -0.58 119.26 121.80 3kxq h ALA 190 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kxq h ALA 190 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kxq h ALA 190 CO -0.00 0.32 0.19 0.35 0.00 0.00 0.00 179.25 180.11 3kxq h PHE 191 N 0.82 0.36 -0.42 0.00 3.57 -0.78 -1.19 116.94 119.30 3kxq h PHE 191 Ca 0.21 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3kxq h PHE 191 Cb 0.09 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3kxq h PHE 191 CO -0.00 0.23 0.06 0.82 -2.23 0.00 0.00 178.31 177.18 3kxq h ILE 192 N 0.38 1.25 -0.51 1.41 2.04 -0.77 -1.32 117.51 119.99 3kxq h ILE 192 Ca 0.10 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.11 3kxq h ILE 192 Cb -0.04 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3kxq h ILE 192 CO -0.02 0.31 0.23 -0.74 0.00 0.00 0.00 178.15 177.93 3kxq h HIS 193 N 0.56 0.42 -0.73 1.37 2.76 -0.94 -1.28 115.15 117.30 3kxq h HIS 193 Ca 0.13 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3kxq h HIS 193 Cb 0.40 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 3kxq h HIS 193 CO 0.03 0.18 0.39 1.25 -1.30 0.00 0.00 177.93 178.49 3kxq h HIS 194 N 0.45 1.02 -1.01 5.26 -0.00 -0.93 -1.81 115.15 118.14 3kxq h HIS 194 Ca 0.23 -0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.64 3kxq h HIS 194 Cb 0.18 -0.32 -0.07 0.00 -0.00 0.00 0.00 27.41 27.20 3kxq h HIS 194 CO -0.12 0.72 0.65 0.87 -0.00 0.00 0.00 177.93 180.05 3kxq h LYS 195 N 1.02 1.14 -0.29 5.26 1.79 -0.66 0.70 116.57 125.52 3kxq h LYS 195 Ca 0.26 -0.07 -0.17 0.00 -2.18 0.00 0.00 60.65 58.49 3kxq h LYS 195 Cb 0.05 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.44 3kxq h LYS 195 CO -0.04 0.75 -0.48 0.52 -1.08 0.00 0.00 179.45 179.12 3kxq h MET 196 N 1.17 0.80 -0.75 3.15 2.86 -0.68 -2.13 114.93 119.37 3kxq h MET 196 Ca 0.44 -0.47 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3kxq h MET 196 Cb 0.18 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3kxq h MET 196 CO -0.18 1.10 0.29 1.25 1.06 0.00 0.00 176.91 180.44 3kxq h HIS 197 N 0.63 1.14 -0.89 -0.22 -0.00 -0.99 0.69 115.15 115.51 3kxq h HIS 197 Ca 0.03 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.30 3kxq h HIS 197 Cb 1.06 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 28.09 3kxq h HIS 197 CO 0.06 0.87 0.52 0.77 -0.00 0.00 0.00 177.93 180.15 3kxq h SER 198 N 1.08 1.09 0.08 3.26 0.02 -0.64 0.17 113.55 118.61 3kxq h SER 198 Ca 0.25 -0.08 -0.33 0.00 -0.84 0.00 0.00 61.79 60.79 3kxq h SER 198 Cb 0.22 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3kxq h SER 198 CO -0.02 0.85 -1.82 -1.14 -1.14 0.00 0.00 176.83 173.56 3kxq n ARG 199 N -4.38 0.69 -0.05 3.45 0.63 -0.82 -4.54 116.66 111.64 3kxq n ARG 199 Ca 0.09 0.35 0.06 0.00 -0.92 0.00 0.00 57.85 57.44 3kxq n ARG 199 Cb 0.07 -1.71 0.08 0.00 0.45 0.00 0.00 32.46 31.36 3kxq n ARG 199 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kxq n PHE 200 N -3.78 0.14 -4.59 -0.14 3.72 0.22 -5.05 117.46 107.98 3kxq n PHE 200 Ca -0.33 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 3kxq n PHE 200 Cb 0.93 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 3kxq n PHE 200 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kxq n GLY 201 N 0.66 0.37 0.36 1.37 0.00 0.61 -2.99 105.19 105.57 3kxq n GLY 201 Ca 0.09 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3kxq n GLY 201 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kxq h ASP 202 N 7.48 0.71 -0.19 1.61 3.32 -1.92 -0.16 116.42 127.27 3kxq h ASP 202 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3kxq h ASP 202 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3kxq h ASP 202 CO 0.00 0.44 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.58 3kxq h GLU 203 N 0.80 0.52 -0.74 3.56 4.39 -1.95 -2.38 114.58 118.79 3kxq h GLU 203 Ca 0.35 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.96 3kxq h GLU 203 Cb 0.33 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3kxq h GLU 203 CO -0.13 0.59 0.48 0.78 -1.16 0.00 0.00 179.01 179.57 3kxq h GLY 204 N 0.88 1.02 2.00 -3.84 0.00 -0.93 -1.06 103.07 101.13 3kxq h GLY 204 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3kxq h GLY 204 CO 0.02 0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.86 3kxq h ALA 205 N 1.57 1.00 -0.01 3.60 0.00 -1.13 -2.22 119.26 122.07 3kxq h ALA 205 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kxq h ALA 205 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kxq h ALA 205 CO -0.09 0.00 -0.34 1.63 0.00 0.00 0.00 179.25 180.45 3kxq n LYS 206 N -2.54 1.09 -2.05 0.00 5.02 -0.41 -4.91 118.16 114.36 3kxq n LYS 206 Ca -0.01 -0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 55.07 3kxq n LYS 206 Cb 0.08 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 3kxq n LYS 206 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kxq s ILE 207 N -2.46 3.37 0.20 -0.18 1.01 -0.83 -4.84 121.20 117.47 3kxq s ILE 207 Ca 0.22 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 3kxq s ILE 207 Cb 0.19 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.09 3kxq s ILE 207 CO 0.53 -0.01 1.29 -0.13 0.00 0.00 0.00 174.94 176.62 3kxq s ARG 208 N 2.76 4.40 -0.27 2.79 3.00 -1.26 -4.94 118.95 125.43 3kxq s ARG 208 Ca 0.70 2.03 -0.01 0.00 0.00 0.00 0.00 55.73 58.45 3kxq s ARG 208 Cb -0.36 -3.20 0.04 0.00 0.00 0.00 0.00 34.95 31.43 3kxq s ARG 208 CO 0.30 -0.23 -0.04 -0.51 0.00 0.00 0.00 175.30 174.81 3kxq s LEU 209 N -0.13 3.51 -0.12 2.53 1.43 -1.26 -1.32 118.68 123.32 3kxq s LEU 209 Ca 0.56 -1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 3kxq s LEU 209 Cb -0.36 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3kxq s LEU 209 CO 0.38 -0.19 0.12 -0.76 0.23 0.00 0.00 176.35 176.13 3kxq s LEU 210 N 1.26 4.27 -0.10 1.79 1.43 0.81 -0.25 118.68 127.90 3kxq s LEU 210 Ca -0.03 0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 53.22 3kxq s LEU 210 Cb -0.18 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3kxq s LEU 210 CO -0.03 0.40 0.87 -0.47 0.23 0.00 0.00 176.35 177.35 3kxq s TYR 211 N -0.96 3.52 -0.07 0.29 5.04 -0.64 -1.26 117.35 123.26 3kxq s TYR 211 Ca 0.14 1.41 0.10 0.00 -2.44 0.00 0.00 57.07 56.29 3kxq s TYR 211 Cb -0.12 -3.03 0.16 0.00 0.35 0.00 0.00 41.96 39.32 3kxq s TYR 211 CO 0.04 -0.12 1.07 0.41 -1.34 0.00 0.00 175.55 175.60 3kxq n GLY 212 N 3.19 3.74 0.00 8.97 0.00 0.97 -1.30 105.19 120.76 3kxq n GLY 212 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3kxq n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxq n GLY 213 N -0.98 -1.51 3.61 -0.02 0.00 -1.24 -4.68 105.19 100.38 3kxq n GLY 213 Ca 0.09 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 3kxq n GLY 213 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kxq s SER 214 N -1.35 6.45 -0.21 1.61 0.01 -1.26 -4.84 113.70 114.10 3kxq s SER 214 Ca 0.00 1.04 0.02 0.00 1.31 0.00 0.00 55.95 58.32 3kxq s SER 214 Cb 0.00 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.73 3kxq s SER 214 CO 0.00 -1.30 -0.15 -0.69 0.41 0.00 0.00 173.24 171.51 3kxq s VAL 215 N 5.08 1.99 0.22 3.43 1.01 -1.26 -5.01 120.40 125.86 3kxq s VAL 215 Ca 0.61 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3kxq s VAL 215 Cb -0.16 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3kxq s VAL 215 CO 0.29 0.26 -0.05 -0.54 0.00 0.00 0.00 175.10 175.05 3kxq s LYS 216 N 1.25 1.32 0.42 2.72 -0.14 -1.26 -4.56 119.74 119.49 3kxq s LYS 216 Ca -0.01 -1.64 0.18 0.00 -1.36 0.00 0.00 55.97 53.14 3kxq s LYS 216 Cb -0.16 -0.79 1.11 0.00 -1.68 0.00 0.00 37.83 36.30 3kxq s LYS 216 CO -0.09 0.01 1.84 -1.35 -0.76 0.00 0.00 175.35 174.99 3kxq h PRO 217 N 2.51 0.38 0.00 -1.68 0.11 -1.94 -1.74 132.00 129.64 3kxq h PRO 217 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kxq h PRO 217 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kxq h PRO 217 CO 0.65 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.34 3kxq h SER 218 N 0.39 0.00 0.00 -2.05 4.64 -1.99 -3.26 113.55 111.28 3kxq h SER 218 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3kxq h SER 218 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kxq h SER 218 CO -0.19 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.31 3kxq n ASN 219 N -2.62 0.89 -0.15 4.97 0.23 -0.72 -4.86 115.26 112.99 3kxq n ASN 219 Ca 0.01 -1.36 -0.07 0.00 -0.53 0.00 0.00 54.58 52.63 3kxq n ASN 219 Cb 0.21 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.00 3kxq n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kxq h ALA 220 N 0.00 0.94 -0.16 -2.53 0.00 -1.43 -1.63 119.26 114.44 3kxq h ALA 220 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kxq h ALA 220 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kxq h ALA 220 CO 0.00 0.63 0.09 0.35 0.00 0.00 0.00 179.25 180.32 3kxq h PHE 221 N 0.84 0.22 -0.36 0.00 3.57 -1.88 0.12 116.94 119.46 3kxq h PHE 221 Ca 0.15 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3kxq h PHE 221 Cb 0.56 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3kxq h PHE 221 CO 0.03 0.22 -0.02 1.49 -2.23 0.00 0.00 178.31 177.80 3kxq h GLU 222 N 0.16 0.64 -0.16 1.11 4.81 -1.88 -2.05 114.58 117.21 3kxq h GLU 222 Ca 0.06 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 3kxq h GLU 222 Cb 0.07 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3kxq h GLU 222 CO -0.01 0.77 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.65 3kxq h LEU 223 N 0.45 0.55 -0.14 1.64 3.38 -1.20 -3.13 115.31 116.86 3kxq h LEU 223 Ca 0.10 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3kxq h LEU 223 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kxq h LEU 223 CO 0.02 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.74 3kxq n LEU 224 N -4.36 0.54 -0.02 1.67 4.77 0.02 -1.95 117.00 117.67 3kxq n LEU 224 Ca -0.06 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.63 3kxq n LEU 224 Cb 0.48 -0.43 0.63 0.00 -2.33 0.00 0.00 43.42 41.78 3kxq n LEU 224 CO 0.43 -0.23 0.92 -1.20 -1.33 0.00 0.00 177.39 175.98 3kxq n SER 225 N -2.02 0.13 -4.77 -1.43 7.64 -0.77 -4.90 113.62 107.49 3kxq n SER 225 Ca 0.05 0.04 -0.39 0.00 1.01 0.00 0.00 58.87 59.58 3kxq n SER 225 Cb 0.35 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 3kxq n SER 225 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kxq s THR 226 N -2.77 3.85 0.25 0.44 2.01 -0.82 -4.97 115.64 113.63 3kxq s THR 226 Ca 0.21 1.68 -0.31 0.00 0.31 0.00 0.00 61.69 63.58 3kxq s THR 226 Cb 0.19 -3.99 -0.13 0.00 0.01 0.00 0.00 72.50 68.58 3kxq s THR 226 CO 0.52 0.26 1.52 0.00 -0.69 0.00 0.00 174.62 176.22 3kxq n ALA 227 N 0.81 1.82 -1.16 7.40 0.00 -1.26 -2.12 120.51 126.00 3kxq n ALA 227 Ca 0.01 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 3kxq n ALA 227 Cb 0.48 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 3kxq n ALA 227 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kxq n HIS 228 N 2.31 0.00 -3.44 0.00 8.25 -1.26 -4.68 115.22 116.40 3kxq n HIS 228 Ca 0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.17 3kxq n HIS 228 Cb 0.33 -1.69 -0.10 0.00 1.12 0.00 0.00 29.99 29.66 3kxq n HIS 228 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kxq s VAL 229 N -1.85 5.20 -0.72 1.59 1.01 -0.90 -4.67 120.40 120.06 3kxq s VAL 229 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 61.98 62.09 3kxq s VAL 229 Cb 0.00 -3.79 0.51 0.00 0.00 0.00 0.00 36.38 33.09 3kxq s VAL 229 CO 0.00 -0.07 1.42 0.59 0.00 0.00 0.00 175.10 177.04 3kxq n ASN 230 N 5.30 3.80 0.00 3.32 5.03 0.65 -4.79 115.26 128.58 3kxq n ASN 230 Ca -0.10 -2.48 0.00 0.00 0.87 0.00 0.00 54.58 52.87 3kxq n ASN 230 Cb 0.49 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 3kxq n ASN 230 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kxq n GLY 231 N 0.34 0.10 3.27 7.41 0.00 -1.25 -1.21 105.19 113.85 3kxq n GLY 231 Ca 0.19 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 3kxq n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxq s ALA 232 N -1.00 -0.82 -0.35 4.61 0.00 -0.94 -1.62 121.76 121.63 3kxq s ALA 232 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 3kxq s ALA 232 Cb 0.00 0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.42 3kxq s ALA 232 CO 0.00 -0.37 0.09 -1.17 0.00 0.00 0.00 175.76 174.32 3kxq s LEU 233 N -1.77 4.44 -0.18 0.00 2.96 -0.42 -1.01 118.68 122.70 3kxq s LEU 233 Ca -0.08 -1.48 -0.06 0.00 -0.22 0.00 0.00 54.13 52.30 3kxq s LEU 233 Cb -0.02 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3kxq s LEU 233 CO 0.00 -0.37 0.02 -0.63 -1.32 0.00 0.00 176.35 174.05 3kxq s ILE 234 N 1.26 4.25 0.00 6.68 1.01 0.36 -4.41 121.20 130.34 3kxq s ILE 234 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.43 3kxq s ILE 234 Cb -0.21 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3kxq s ILE 234 CO -0.01 0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3kxq n GLY 235 N 3.84 0.44 0.30 6.18 0.00 -1.26 -0.32 105.19 114.37 3kxq n GLY 235 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 3kxq n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kxq h GLY 236 N 0.00 0.30 0.26 -0.02 0.00 -1.91 -0.92 103.07 100.78 3kxq h GLY 236 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kxq h GLY 236 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.63 3kxq n ALA 237 N -2.52 2.40 0.94 3.60 0.00 -1.26 -2.35 120.51 121.33 3kxq n ALA 237 Ca 0.02 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.52 3kxq n ALA 237 Cb 0.17 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 3kxq n ALA 237 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kxq n SER 238 N -0.63 1.36 0.13 0.00 3.41 -0.35 -2.00 113.62 115.53 3kxq n SER 238 Ca 0.05 -1.18 -0.01 0.00 -0.26 0.00 0.00 58.87 57.48 3kxq n SER 238 Cb 0.02 0.79 0.11 0.00 -0.26 0.00 0.00 64.21 64.87 3kxq n SER 238 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kxq h LEU 239 N 0.94 0.00 -8.64 1.04 3.38 -1.59 -3.43 115.31 107.01 3kxq h LEU 239 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 3kxq h LEU 239 Cb 0.57 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.04 3kxq h LEU 239 CO 0.00 0.66 -0.85 -0.54 0.09 0.00 0.00 178.44 177.80 3kxq s LYS 240 N -3.28 2.44 0.24 1.13 -0.14 -1.26 -4.96 119.74 113.90 3kxq s LYS 240 Ca 0.00 -0.85 -0.05 0.00 -1.36 0.00 0.00 55.97 53.71 3kxq s LYS 240 Cb 0.11 -2.20 0.36 0.00 -1.68 0.00 0.00 37.83 34.42 3kxq s LYS 240 CO 0.76 0.49 1.80 0.00 -0.76 0.00 0.00 175.35 177.65 3kxq h ALA 241 N 5.73 1.09 -0.83 5.17 0.00 -1.84 -1.80 119.26 126.79 3kxq h ALA 241 Ca -0.39 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.65 3kxq h ALA 241 Cb 1.15 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3kxq h ALA 241 CO 0.48 0.06 0.48 0.97 0.00 0.00 0.00 179.25 181.25 3kxq h ILE 242 N 0.73 0.92 0.01 0.00 6.09 -1.95 0.80 117.51 124.12 3kxq h ILE 242 Ca 0.37 -0.28 -0.00 0.00 -1.37 0.00 0.00 64.86 63.58 3kxq h ILE 242 Cb 0.34 0.04 0.00 0.00 0.47 0.00 0.00 36.82 37.67 3kxq h ILE 242 CO -0.24 0.15 -0.00 0.44 -3.07 0.00 0.00 178.15 175.42 3kxq h ASP 243 N 0.82 -0.01 -0.41 2.19 3.32 -1.64 -2.53 116.42 118.16 3kxq h ASP 243 Ca 0.40 -0.62 0.02 0.00 0.02 0.00 0.00 57.03 56.85 3kxq h ASP 243 Cb 0.34 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3kxq h ASP 243 CO -0.24 0.62 0.24 0.15 -1.72 0.00 0.00 179.24 178.29 3kxq h PHE 244 N -0.64 0.45 -0.02 4.55 3.57 -0.71 -2.12 116.94 122.03 3kxq h PHE 244 Ca -0.00 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 3kxq h PHE 244 Cb 0.62 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 3kxq h PHE 244 CO 0.14 0.27 -0.55 -0.07 -2.23 0.00 0.00 178.31 175.87 3kxq h LEU 245 N 0.49 0.06 -0.83 0.59 3.38 -0.94 -1.49 115.31 116.57 3kxq h LEU 245 Ca 0.16 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3kxq h LEU 245 Cb 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kxq h LEU 245 CO -0.07 0.59 -0.01 0.74 0.09 0.00 0.00 178.44 179.78 3kxq h THR 246 N 0.04 1.25 -0.21 0.22 2.02 -1.11 -0.91 112.91 114.21 3kxq h THR 246 Ca -0.00 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 3kxq h THR 246 Cb 0.98 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3kxq h THR 246 CO 0.07 0.38 0.00 0.40 0.37 0.00 0.00 175.52 176.75 3kxq h ILE 247 N 0.80 1.25 -0.31 3.11 2.04 -0.97 -2.87 117.51 120.55 3kxq h ILE 247 Ca 0.15 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.20 3kxq h ILE 247 Cb 0.50 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3kxq h ILE 247 CO 0.02 0.26 0.21 0.00 0.00 0.00 0.00 178.15 178.65 3kxq n ASP 249 N -4.48 0.61 -0.13 0.00 8.00 -0.37 -2.68 116.55 117.49 3kxq n ASP 249 Ca 0.03 0.68 0.16 0.00 0.71 0.00 0.00 54.79 56.37 3kxq n ASP 249 Cb 0.25 -0.80 0.53 0.00 -0.02 0.00 0.00 41.12 41.09 3kxq n ASP 249 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3kxq h VAL 250 N 0.00 0.79 0.00 2.53 2.07 -1.48 -2.32 116.25 117.84 3kxq h VAL 250 Ca 0.00 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3kxq h VAL 250 Cb 0.27 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3kxq h VAL 250 CO 0.00 0.06 -0.12 1.88 0.02 0.00 0.00 177.57 179.41 3kxq h TYR 251 N 0.35 0.00 -0.08 1.57 0.05 -1.75 0.12 116.97 117.23 3kxq h TYR 251 Ca 0.35 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.15 3kxq h TYR 251 Cb 0.86 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.60 3kxq h TYR 251 CO -0.00 0.12 0.09 0.00 -1.05 0.00 0.00 178.16 177.33 3kxq h ARG 252 N 0.00 0.00 -0.01 4.88 -0.00 -1.65 -3.52 114.38 114.09 3kxq h ARG 252 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3kxq h ARG 252 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.40 3kxq h ARG 252 CO 0.02 0.00 0.00 0.36 0.00 0.00 0.00 179.97 180.35