#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u22 s SER 3 N 0.00 4.45 -0.28 0.00 1.04 -1.26 -2.37 113.70 115.27 1u22 s SER 3 Ca 0.00 -0.71 -0.17 0.00 0.48 0.00 0.00 55.95 55.54 1u22 s SER 3 Cb 0.00 -0.77 0.10 0.00 0.10 0.00 0.00 66.02 65.45 1u22 s SER 3 CO 0.00 -0.04 0.77 -2.28 0.98 0.00 0.00 173.24 172.67 1u22 s HIS 4 N -2.36 -0.91 -0.20 5.02 5.04 -0.48 -0.11 115.29 121.29 1u22 s HIS 4 Ca 0.32 1.85 -0.05 0.00 -1.54 0.00 0.00 55.06 55.64 1u22 s HIS 4 Cb -0.05 0.53 -0.02 0.00 0.04 0.00 0.00 32.58 33.07 1u22 s HIS 4 CO 0.20 -0.45 -0.00 0.42 -2.34 0.00 0.00 174.74 172.57 1u22 s ILE 5 N 1.41 3.93 -0.20 0.89 1.09 -1.16 -2.92 121.20 124.24 1u22 s ILE 5 Ca -0.08 -0.32 0.29 0.00 -1.10 0.00 0.00 60.65 59.43 1u22 s ILE 5 Cb -0.05 -2.78 0.35 0.00 -1.06 0.00 0.00 42.46 38.93 1u22 s ILE 5 CO -0.16 0.43 1.82 -0.37 -0.10 0.00 0.00 174.94 176.55 1u22 h VAL 6 N 5.38 0.00 -1.42 2.92 -1.51 -1.84 -3.38 116.25 116.40 1u22 h VAL 6 Ca -0.36 -0.64 0.27 0.00 -1.23 0.00 0.00 66.70 64.74 1u22 h VAL 6 Cb 1.18 1.61 -0.18 0.00 -2.13 0.00 0.00 31.29 31.77 1u22 h VAL 6 CO 0.61 0.00 0.83 -0.83 -1.23 0.00 0.00 177.57 176.95 1u22 s GLY 7 N -4.08 -0.30 0.04 5.19 0.00 -1.26 -4.74 107.32 102.17 1u22 s GLY 7 Ca 0.04 1.52 0.02 0.00 0.00 0.00 0.00 44.72 46.30 1u22 s GLY 7 CO 0.57 0.49 -0.06 -0.47 0.00 0.00 0.00 173.10 173.63 1u22 s TYR 8 N -2.37 0.55 0.67 1.90 5.04 -1.26 -1.47 117.35 120.41 1u22 s TYR 8 Ca 0.10 -0.53 -0.17 0.00 -2.44 0.00 0.00 57.07 54.04 1u22 s TYR 8 Cb -0.00 -0.34 -0.01 0.00 0.35 0.00 0.00 41.96 41.96 1u22 s TYR 8 CO -0.04 -0.12 1.08 -2.30 -1.34 0.00 0.00 175.55 172.83 1u22 n PRO 9 N 1.45 0.79 -3.20 4.97 -0.02 -1.26 -4.49 135.00 133.25 1u22 n PRO 9 Ca -0.23 0.32 -0.26 0.00 -2.02 0.00 0.00 63.50 61.31 1u22 n PRO 9 Cb 0.55 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1u22 n PRO 9 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1u22 n ARG 10 N -1.72 2.58 -3.97 -0.52 1.85 -1.26 -4.95 116.66 108.66 1u22 n ARG 10 Ca 0.14 -4.56 -0.09 0.00 -1.00 0.00 0.00 57.85 52.34 1u22 n ARG 10 Cb 0.48 -2.13 -0.06 0.00 -1.05 0.00 0.00 32.46 29.70 1u22 n ARG 10 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1u22 s GLY 12 N -2.78 0.52 0.23 2.89 0.00 -1.26 -4.79 107.32 102.14 1u22 s GLY 12 Ca 0.43 -0.87 0.08 0.00 0.00 0.00 0.00 44.72 44.36 1u22 s GLY 12 CO -0.07 -0.71 1.52 -2.55 0.00 0.00 0.00 173.10 171.29 1u22 h PRO 13 N 2.36 0.06 -0.20 2.90 0.11 -1.99 -3.08 132.00 132.15 1u22 h PRO 13 Ca -0.29 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 1u22 h PRO 13 Cb 1.25 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 1u22 h PRO 13 CO 0.41 0.74 -0.44 1.63 -0.21 0.00 0.00 178.00 180.13 1u22 n LYS 14 N -3.73 1.96 -3.72 1.05 4.76 -1.26 -4.79 118.16 112.44 1u22 n LYS 14 Ca -0.01 -3.42 -0.22 0.00 -2.87 0.00 0.00 58.31 51.79 1u22 n LYS 14 Cb 0.69 -1.77 0.03 0.00 -1.84 0.00 0.00 35.03 32.13 1u22 n LYS 14 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1u22 n ARG 15 N -1.06 -4.48 -0.17 1.97 1.74 -1.17 -4.91 116.66 108.58 1u22 n ARG 15 Ca 0.27 0.59 -0.07 0.00 -0.77 0.00 0.00 57.85 57.86 1u22 n ARG 15 Cb 0.81 -5.06 0.02 0.00 -1.02 0.00 0.00 32.46 27.20 1u22 n ARG 15 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1u22 h GLU 16 N -1.85 0.69 0.00 5.56 3.07 -1.93 -2.63 114.58 117.49 1u22 h GLU 16 Ca -0.62 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.13 1u22 h GLU 16 Cb 1.36 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1u22 h GLU 16 CO 0.57 0.53 -0.19 1.25 -1.40 0.00 0.00 179.01 179.77 1u22 h LEU 17 N 0.67 0.00 -0.15 1.33 5.85 -1.91 -2.42 115.31 118.68 1u22 h LEU 17 Ca 0.18 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1u22 h LEU 17 Cb 0.03 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1u22 h LEU 17 CO -0.03 0.19 -0.15 0.50 -0.34 0.00 0.00 178.44 178.61 1u22 h LYS 18 N 0.00 -0.16 0.03 1.25 3.64 -1.79 0.49 116.57 120.03 1u22 h LYS 18 Ca -0.00 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.15 1u22 h LYS 18 Cb 0.59 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1u22 h LYS 18 CO 0.02 -0.11 -1.20 0.74 -2.27 0.00 0.00 179.45 176.63 1u22 h PHE 19 N -0.17 0.12 -0.65 1.91 0.04 -1.61 -2.55 116.94 114.02 1u22 h PHE 19 Ca 0.10 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 1u22 h PHE 19 Cb 0.32 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1u22 h PHE 19 CO -0.27 1.08 0.14 0.00 -0.60 0.00 0.00 178.31 178.66 1u22 h ALA 20 N 0.89 0.86 0.80 2.45 0.00 -1.24 0.33 119.26 123.35 1u22 h ALA 20 Ca -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1u22 h ALA 20 Cb 1.86 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1u22 h ALA 20 CO 0.14 0.60 -0.38 -0.07 0.00 0.00 0.00 179.25 179.53 1u22 h LEU 21 N 0.98 -0.91 -0.35 0.00 3.38 -0.03 -2.41 115.31 115.97 1u22 h LEU 21 Ca 0.20 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.27 1u22 h LEU 21 Cb 0.39 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 1u22 h LEU 21 CO 0.01 -0.54 -0.08 -0.33 0.09 0.00 0.00 178.44 177.59 1u22 h GLU 22 N -1.28 0.01 -0.72 1.13 5.08 -1.44 -2.59 114.58 114.77 1u22 h GLU 22 Ca -0.11 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1u22 h GLU 22 Cb 0.82 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.95 1u22 h GLU 22 CO 0.18 0.01 -0.48 1.03 -1.00 0.00 0.00 179.01 178.75 1u22 h SER 23 N 0.01 -1.68 -0.49 1.42 0.87 -0.30 0.42 113.55 113.79 1u22 h SER 23 Ca 0.17 0.28 0.08 0.00 -1.23 0.00 0.00 61.79 61.08 1u22 h SER 23 Cb 0.26 0.77 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 1u22 h SER 23 CO -0.35 -0.31 0.12 0.15 -0.53 0.00 0.00 176.83 175.90 1u22 h PHE 24 N -0.16 0.19 0.00 2.24 3.57 -1.06 0.68 116.94 122.40 1u22 h PHE 24 Ca 0.19 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1u22 h PHE 24 Cb 0.54 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1u22 h PHE 24 CO -0.81 0.02 -0.09 -1.49 -2.23 0.00 0.00 178.31 173.71 1u22 h TRP 25 N 0.26 0.00 -0.30 0.41 6.55 -0.48 -2.01 115.95 120.38 1u22 h TRP 25 Ca 0.25 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.92 1u22 h TRP 25 Cb 0.32 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.61 1u22 h TRP 25 CO -0.21 0.09 -0.46 -0.44 -1.05 0.00 0.00 178.44 176.37 1u22 h ASP 26 N 0.00 0.92 0.00 -3.49 3.32 0.20 -3.47 116.42 113.90 1u22 h ASP 26 Ca -0.00 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1u22 h ASP 26 Cb 0.34 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1u22 h ASP 26 CO 0.01 1.25 0.00 0.61 -1.72 0.00 0.00 179.24 179.40 1u22 n GLY 27 N 0.30 1.30 1.95 2.75 0.00 -0.71 -5.00 105.19 105.78 1u22 n GLY 27 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1u22 n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u22 n LYS 28 N -1.29 3.11 0.00 1.61 5.02 -1.15 -4.97 118.16 120.49 1u22 n LYS 28 Ca 0.00 -3.81 0.00 0.00 -2.02 0.00 0.00 58.31 52.48 1u22 n LYS 28 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1u22 n LYS 28 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1u22 n SER 29 N -0.83 0.00 -3.87 4.39 3.41 -1.26 -4.86 113.62 110.60 1u22 n SER 29 Ca 0.47 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.87 1u22 n SER 29 Cb 0.89 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 1u22 n SER 29 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1u22 n THR 30 N -0.36 0.00 0.00 6.66 -2.24 -1.26 -4.51 114.28 112.56 1u22 n THR 30 Ca 0.00 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.18 1u22 n THR 30 Cb 0.00 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1u22 n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u22 n ALA 31 N -1.99 -0.22 -0.19 6.98 0.00 -1.26 -1.95 120.51 121.88 1u22 n ALA 31 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.34 1u22 n ALA 31 Cb 0.44 0.26 0.09 0.00 0.00 0.00 0.00 19.45 20.24 1u22 n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u22 n GLU 32 N -2.42 -0.05 -0.09 0.00 -0.58 -1.26 0.46 120.64 116.71 1u22 n GLU 32 Ca 0.00 0.82 -0.12 0.00 -0.42 0.00 0.00 57.16 57.44 1u22 n GLU 32 Cb 0.00 -1.24 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 1u22 n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1u22 h ASP 33 N 0.00 0.51 -0.35 1.62 3.32 -1.88 -0.55 116.42 119.09 1u22 h ASP 33 Ca 0.27 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1u22 h ASP 33 Cb 0.45 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1u22 h ASP 33 CO -0.54 0.77 0.10 0.25 -1.72 0.00 0.00 179.24 178.10 1u22 h LEU 34 N 0.24 0.51 -1.06 1.55 6.46 0.68 -1.83 115.31 121.87 1u22 h LEU 34 Ca 0.06 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1u22 h LEU 34 Cb 0.56 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1u22 h LEU 34 CO 0.03 0.59 0.57 1.56 -0.62 0.00 0.00 178.44 180.56 1u22 h GLN 35 N 0.41 1.20 -0.49 1.25 1.08 -0.63 0.51 115.11 118.44 1u22 h GLN 35 Ca 0.11 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1u22 h GLN 35 Cb 0.26 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1u22 h GLN 35 CO -0.00 0.82 0.30 -0.22 -0.95 0.00 0.00 178.83 178.78 1u22 h LYS 36 N 1.23 0.58 0.65 1.46 1.63 -0.63 -1.49 116.57 120.00 1u22 h LYS 36 Ca 0.33 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.06 1u22 h LYS 36 Cb -0.10 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 31.41 1u22 h LYS 36 CO -0.07 0.39 -0.31 0.28 -3.45 0.00 0.00 179.45 176.29 1u22 h VAL 37 N 0.60 0.19 -0.50 2.00 2.07 -0.49 -2.30 116.25 117.82 1u22 h VAL 37 Ca 0.19 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.51 1u22 h VAL 37 Cb -0.01 0.25 -0.10 0.00 -1.52 0.00 0.00 31.29 29.91 1u22 h VAL 37 CO -0.08 0.02 -0.34 0.28 0.02 0.00 0.00 177.57 177.48 1u22 h SER 38 N -1.12 -1.16 -0.68 0.57 0.02 -0.85 0.11 113.55 110.45 1u22 h SER 38 Ca -0.09 0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1u22 h SER 38 Cb 0.71 0.56 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 1u22 h SER 38 CO 0.15 -0.32 0.41 0.00 -1.14 0.00 0.00 176.83 175.93 1u22 h ALA 39 N 0.85 1.43 -0.14 3.77 0.00 -1.35 0.17 119.26 123.99 1u22 h ALA 39 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1u22 h ALA 39 Cb 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u22 h ALA 39 CO -0.62 0.49 0.01 -0.44 0.00 0.00 0.00 179.25 178.70 1u22 h ASP 40 N 0.94 0.24 -0.51 0.00 3.32 -0.49 -0.24 116.42 119.68 1u22 h ASP 40 Ca 0.25 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1u22 h ASP 40 Cb -0.03 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1u22 h ASP 40 CO -0.05 0.47 0.21 0.25 -1.72 0.00 0.00 179.24 178.40 1u22 h LEU 41 N 0.00 0.71 -0.15 1.55 5.85 -0.51 -1.75 115.31 121.01 1u22 h LEU 41 Ca 0.04 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1u22 h LEU 41 Cb 0.34 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1u22 h LEU 41 CO 0.01 0.68 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.56 1u22 h ARG 42 N 0.69 -0.15 0.13 1.25 2.43 -0.53 -1.99 114.38 116.22 1u22 h ARG 42 Ca 0.17 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1u22 h ARG 42 Cb 0.19 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1u22 h ARG 42 CO -0.01 -0.10 -0.31 1.03 -1.51 0.00 0.00 179.97 179.07 1u22 h SER 43 N -0.16 -0.88 -0.94 -3.80 0.87 -0.74 -2.29 113.55 105.62 1u22 h SER 43 Ca 0.10 0.10 0.24 0.00 -1.23 0.00 0.00 61.79 61.00 1u22 h SER 43 Cb 0.30 0.33 -0.06 0.00 -0.44 0.00 0.00 62.40 62.53 1u22 h SER 43 CO -0.24 -0.40 0.64 -1.28 -0.53 0.00 0.00 176.83 175.02 1u22 h SER 44 N -0.54 0.22 0.02 6.23 0.87 -1.06 -0.19 113.55 119.10 1u22 h SER 44 Ca 0.03 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1u22 h SER 44 Cb 0.56 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1u22 h SER 44 CO -0.17 0.07 -0.01 0.40 -0.53 0.00 0.00 176.83 176.59 1u22 h ILE 45 N 0.21 1.47 -0.13 2.23 1.08 -0.87 -1.06 117.51 120.46 1u22 h ILE 45 Ca 0.48 -1.69 0.02 0.00 -0.39 0.00 0.00 64.86 63.27 1u22 h ILE 45 Cb 1.51 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 37.82 1u22 h ILE 45 CO -0.11 0.42 0.02 -0.50 -0.69 0.00 0.00 178.15 177.29 1u22 h TRP 46 N -0.78 0.04 -0.15 1.37 6.55 -0.89 -2.50 115.95 119.58 1u22 h TRP 46 Ca -0.00 0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.89 1u22 h TRP 46 Cb 0.71 -0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.97 1u22 h TRP 46 CO 0.18 0.02 -0.13 0.87 -1.05 0.00 0.00 178.44 178.32 1u22 h LYS 47 N 0.08 -0.15 0.00 0.49 1.79 -1.15 -0.97 116.57 116.67 1u22 h LYS 47 Ca 0.06 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1u22 h LYS 47 Cb 0.05 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1u22 h LYS 47 CO -0.07 -0.10 0.00 0.94 -1.08 0.00 0.00 179.45 179.14 1u22 n GLN 48 N -5.28 0.00 0.00 3.15 7.27 -0.40 -2.04 117.38 120.08 1u22 n GLN 48 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 1u22 n GLN 48 Cb 0.20 -0.92 0.00 0.00 2.41 0.00 0.00 30.24 31.93 1u22 n GLN 48 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1u22 n SER 50 N 0.26 0.00 0.22 1.69 3.41 -0.37 -3.57 113.62 115.26 1u22 n SER 50 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1u22 n SER 50 Cb 0.00 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.41 1u22 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u22 h ALA 51 N 0.00 1.28 -0.01 7.33 0.00 -1.65 1.22 119.26 127.43 1u22 h ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u22 h ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u22 h ALA 51 CO 0.00 -0.28 -0.47 0.00 0.00 0.00 0.00 179.25 178.50 1u22 n ALA 52 N -1.64 3.53 0.00 0.00 0.00 -1.23 -4.92 120.51 116.25 1u22 n ALA 52 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1u22 n ALA 52 Cb 0.38 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1u22 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u22 n GLY 53 N 1.42 0.57 3.44 0.00 0.00 0.42 -4.89 105.19 106.14 1u22 n GLY 53 Ca 0.09 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.56 1u22 n GLY 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1u22 n THR 54 N -1.37 0.15 0.04 2.61 -1.04 -1.22 -4.73 114.28 108.72 1u22 n THR 54 Ca 0.00 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.05 61.74 1u22 n THR 54 Cb 0.00 -1.23 -0.09 0.00 -1.82 0.00 0.00 70.33 67.20 1u22 n THR 54 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1u22 h LYS 55 N 10.44 -0.15 -4.32 -2.82 1.63 -1.89 -3.41 116.57 116.06 1u22 h LYS 55 Ca -0.26 0.01 -0.72 0.00 -0.85 0.00 0.00 60.65 58.84 1u22 h LYS 55 Cb 1.35 0.03 -0.31 0.00 -0.60 0.00 0.00 32.23 32.71 1u22 h LYS 55 CO 1.03 0.33 -0.42 -0.06 -3.45 0.00 0.00 179.45 176.87 1u22 s PHE 56 N -3.80 3.47 -0.25 1.91 0.08 0.84 -4.94 117.98 115.29 1u22 s PHE 56 Ca -0.14 -2.02 -0.11 0.00 0.12 0.00 0.00 56.93 54.77 1u22 s PHE 56 Cb 0.01 -3.44 -0.05 0.00 -0.57 0.00 0.00 43.02 38.97 1u22 s PHE 56 CO 0.57 -0.99 0.21 0.42 -0.10 0.00 0.00 175.22 175.33 1u22 s ILE 57 N 1.27 5.31 0.30 0.64 1.01 -1.26 -3.00 121.20 125.47 1u22 s ILE 57 Ca 0.07 0.26 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 1u22 s ILE 57 Cb -0.25 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 1u22 s ILE 57 CO -0.02 0.29 0.86 -2.16 0.00 0.00 0.00 174.94 173.91 1u22 s PRO 58 N 1.39 4.41 0.11 2.79 0.04 -1.26 0.02 135.00 142.50 1u22 s PRO 58 Ca 0.09 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.32 1u22 s PRO 58 Cb -0.15 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1u22 s PRO 58 CO 0.07 0.29 -0.19 -1.54 0.04 0.00 0.00 177.00 175.67 1u22 s SER 59 N -1.71 2.45 0.00 6.66 1.04 -0.80 -4.72 113.70 116.62 1u22 s SER 59 Ca 0.49 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1u22 s SER 59 Cb -0.17 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1u22 s SER 59 CO 0.22 0.01 0.00 -3.20 0.98 0.00 0.00 173.24 171.25 1u22 n ASN 60 N 0.89 -1.73 0.09 7.02 5.15 -1.26 -1.51 115.26 123.92 1u22 n ASN 60 Ca -0.18 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 53.82 1u22 n ASN 60 Cb 0.55 -0.29 -0.02 0.00 -0.53 0.00 0.00 39.78 39.48 1u22 n ASN 60 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1u22 h THR 61 N 0.00 0.64 -3.95 -0.44 1.35 -1.86 -3.45 112.91 105.19 1u22 h THR 61 Ca 0.00 -2.02 -0.52 0.00 -0.55 0.00 0.00 66.41 63.31 1u22 h THR 61 Cb 0.00 2.19 0.08 0.00 -1.73 0.00 0.00 68.15 68.69 1u22 h THR 61 CO 0.00 0.36 0.59 0.12 -0.25 0.00 0.00 175.52 176.34 1u22 s PHE 62 N -2.97 2.83 -0.02 4.73 2.19 -1.26 -4.84 117.98 118.63 1u22 s PHE 62 Ca 0.01 1.44 -0.12 0.00 0.33 0.00 0.00 56.93 58.58 1u22 s PHE 62 Cb 0.08 -3.62 0.02 0.00 -1.31 0.00 0.00 43.02 38.19 1u22 s PHE 62 CO 0.78 -1.98 0.26 0.00 1.83 0.00 0.00 175.22 176.10 1u22 s ALA 63 N -1.30 -0.64 -1.06 11.12 0.00 -1.26 -5.01 121.76 123.61 1u22 s ALA 63 Ca 0.58 0.26 0.29 0.00 0.00 0.00 0.00 51.96 53.09 1u22 s ALA 63 Cb -0.37 0.00 1.28 0.00 0.00 0.00 0.00 23.12 24.03 1u22 s ALA 63 CO 0.47 -0.23 1.94 0.72 0.00 0.00 0.00 175.76 178.67 1u22 n HIS 64 N 1.58 0.00 0.09 0.00 8.25 -1.26 -4.74 115.22 119.14 1u22 n HIS 64 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1u22 n HIS 64 Cb 0.56 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1u22 n HIS 64 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1u22 n TYR 65 N -1.47 -3.09 -3.82 4.41 4.19 -1.26 -4.93 117.16 111.20 1u22 n TYR 65 Ca 0.08 0.61 -0.09 0.00 3.31 0.00 0.00 57.90 61.81 1u22 n TYR 65 Cb 0.32 1.79 -0.07 0.00 0.49 0.00 0.00 39.34 41.87 1u22 n TYR 65 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1u22 s ASP 66 N -2.00 0.06 -0.08 2.98 2.15 -1.26 -4.03 116.67 114.49 1u22 s ASP 66 Ca 0.00 -0.60 -0.11 0.00 0.43 0.00 0.00 52.55 52.27 1u22 s ASP 66 Cb 0.00 0.36 -0.29 0.00 -0.30 0.00 0.00 42.92 42.69 1u22 s ASP 66 CO 0.00 -0.75 0.57 0.06 -0.17 0.00 0.00 175.17 174.88 1u22 h GLN 67 N 2.68 0.34 0.00 4.34 -0.00 -1.95 -2.82 115.11 117.70 1u22 h GLN 67 Ca -0.34 -0.58 -0.01 0.00 -0.00 0.00 0.00 58.65 57.71 1u22 h GLN 67 Cb 1.21 0.22 -0.00 0.00 -0.00 0.00 0.00 27.48 28.90 1u22 h GLN 67 CO 0.55 1.28 -0.07 0.28 -0.00 0.00 0.00 178.83 180.87 1u22 h VAL 68 N 0.03 0.28 0.19 1.86 2.07 -1.98 -0.32 116.25 118.39 1u22 h VAL 68 Ca -0.36 -0.46 -0.32 0.00 0.82 0.00 0.00 66.70 66.38 1u22 h VAL 68 Cb 2.03 1.35 0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1u22 h VAL 68 CO 0.14 0.07 -1.53 0.25 0.02 0.00 0.00 177.57 176.51 1u22 h LEU 69 N 0.00 0.63 -1.09 2.57 6.46 -1.79 -1.04 115.31 121.05 1u22 h LEU 69 Ca -0.00 -0.92 0.15 0.00 -0.12 0.00 0.00 57.88 56.99 1u22 h LEU 69 Cb 0.34 -0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 39.98 1u22 h LEU 69 CO 0.01 1.70 0.61 0.44 -0.62 0.00 0.00 178.44 180.59 1u22 h ASP 70 N 0.00 0.80 1.25 1.25 5.19 -1.06 0.26 116.42 124.12 1u22 h ASP 70 Ca -0.29 0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.05 1u22 h ASP 70 Cb 2.02 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 41.42 1u22 h ASP 70 CO 0.18 0.37 -0.77 0.00 -3.12 0.00 0.00 179.24 175.90 1u22 h THR 71 N 0.83 0.84 -0.26 0.35 1.03 -1.08 -3.23 112.91 111.40 1u22 h THR 71 Ca 0.52 -2.26 -0.08 0.00 -0.01 0.00 0.00 66.41 64.57 1u22 h THR 71 Cb 0.71 2.36 -0.01 0.00 -1.07 0.00 0.00 68.15 70.14 1u22 h THR 71 CO -0.29 0.48 -0.17 0.74 -0.01 0.00 0.00 175.52 176.27 1u22 h THR 72 N 0.00 1.24 0.00 0.00 2.02 0.75 -1.94 112.91 114.98 1u22 h THR 72 Ca -0.04 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1u22 h THR 72 Cb 1.47 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1u22 h THR 72 CO 0.07 0.35 -0.02 0.00 0.37 0.00 0.00 175.52 176.29 1u22 n ALA 73 N -2.48 4.01 0.00 6.16 0.00 0.40 -0.84 120.51 127.76 1u22 n ALA 73 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1u22 n ALA 73 Cb 0.35 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1u22 n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u22 n LEU 75 N 1.56 0.00 -1.70 0.00 4.77 -0.73 -2.87 117.00 118.03 1u22 n LEU 75 Ca 0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 1u22 n LEU 75 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1u22 n LEU 75 CO 0.01 0.00 -0.18 0.61 -1.33 0.00 0.00 177.39 176.50 1u22 n GLY 76 N 0.00 1.15 2.29 -0.72 0.00 -0.49 -0.66 105.19 106.77 1u22 n GLY 76 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1u22 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u22 n ALA 77 N 0.26 7.48 -2.56 4.61 0.00 -0.02 -4.53 120.51 125.75 1u22 n ALA 77 Ca -0.18 -3.43 -0.38 0.00 0.00 0.00 0.00 53.44 49.46 1u22 n ALA 77 Cb 0.58 -3.28 -0.06 0.00 0.00 0.00 0.00 19.45 16.69 1u22 n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u22 s VAL 78 N 1.97 5.08 0.52 0.00 0.11 -1.26 -4.82 120.40 121.99 1u22 s VAL 78 Ca 0.69 0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 60.38 1u22 s VAL 78 Cb 0.19 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.25 1u22 s VAL 78 CO -0.06 0.51 1.27 -2.84 -3.33 0.00 0.00 175.10 170.65 1u22 s PRO 79 N -0.59 3.32 0.14 1.54 0.02 -1.26 -4.96 135.00 133.23 1u22 s PRO 79 Ca 0.24 2.02 -0.27 0.00 0.02 0.00 0.00 61.00 63.01 1u22 s PRO 79 Cb -0.16 -2.26 -0.01 0.00 0.02 0.00 0.00 34.50 32.09 1u22 s PRO 79 CO 0.12 -0.98 1.59 -1.35 -0.33 0.00 0.00 177.00 176.05 1u22 h PRO 80 N 1.58 -0.37 0.00 5.54 0.11 -1.97 -2.62 132.00 134.27 1u22 h PRO 80 Ca -0.50 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u22 h PRO 80 Cb 1.28 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1u22 h PRO 80 CO 0.58 -0.25 0.08 2.89 -0.21 0.00 0.00 178.00 181.09 1u22 n ARG 81 N -5.42 0.00 0.02 1.05 1.85 -1.26 -0.18 116.66 112.71 1u22 n ARG 81 Ca -0.02 0.15 0.11 0.00 -1.00 0.00 0.00 57.85 57.09 1u22 n ARG 81 Cb 0.35 -1.58 -0.07 0.00 -1.05 0.00 0.00 32.46 30.11 1u22 n ARG 81 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1u22 n TYR 82 N -1.05 0.22 -3.03 2.89 4.01 -0.99 -4.92 117.16 114.29 1u22 n TYR 82 Ca 0.00 0.06 -0.13 0.00 -0.16 0.00 0.00 57.90 57.68 1u22 n TYR 82 Cb 0.08 -0.45 0.06 0.00 -0.31 0.00 0.00 39.34 38.72 1u22 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u22 n GLY 83 N 1.33 -0.07 3.75 2.72 0.00 0.74 -5.01 105.19 108.67 1u22 n GLY 83 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1u22 n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1u22 s TYR 84 N -3.23 3.74 -0.10 1.61 5.04 -1.26 -4.94 117.35 118.21 1u22 s TYR 84 Ca 0.12 1.43 0.13 0.00 -2.44 0.00 0.00 57.07 56.31 1u22 s TYR 84 Cb -0.05 -2.77 -0.19 0.00 0.35 0.00 0.00 41.96 39.30 1u22 s TYR 84 CO 0.48 0.32 0.32 0.25 -1.34 0.00 0.00 175.55 175.58 1u22 n THR 85 N 2.65 0.00 0.00 4.34 -2.24 -1.26 -5.07 114.28 112.70 1u22 n THR 85 Ca -0.04 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1u22 n THR 85 Cb 0.50 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1u22 n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u22 n GLY 86 N 1.70 3.05 0.12 3.38 0.00 -1.26 -5.17 105.19 107.01 1u22 n GLY 86 Ca -0.02 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1u22 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u22 n GLY 87 N -1.56 -2.44 3.62 -0.02 0.00 -1.26 -4.91 105.19 98.61 1u22 n GLY 87 Ca 0.00 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 1u22 n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u22 s GLU 88 N -0.28 3.74 -0.23 1.61 2.56 -1.26 -4.70 118.70 120.13 1u22 s GLU 88 Ca 0.00 1.41 -0.29 0.00 0.00 0.00 0.00 54.97 56.10 1u22 s GLU 88 Cb 0.00 -4.01 -0.03 0.00 2.00 0.00 0.00 34.13 32.08 1u22 s GLU 88 CO 0.00 -1.36 1.83 0.42 -0.56 0.00 0.00 175.26 175.59 1u22 s ILE 89 N 5.22 3.42 0.55 -3.70 1.01 0.30 -5.00 121.20 123.01 1u22 s ILE 89 Ca 0.67 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.84 1u22 s ILE 89 Cb -0.21 -3.48 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1u22 s ILE 89 CO 0.29 -0.25 0.51 -0.83 0.00 0.00 0.00 174.94 174.66 1u22 s GLY 90 N 5.68 2.19 0.51 6.18 0.00 -1.26 -4.87 107.32 115.75 1u22 s GLY 90 Ca 0.82 -1.50 0.34 0.00 0.00 0.00 0.00 44.72 44.38 1u22 s GLY 90 CO 0.33 -1.87 1.26 1.04 0.00 0.00 0.00 173.10 173.86 1u22 n LEU 91 N -1.90 0.00 0.00 0.66 4.77 -1.26 -1.80 117.00 117.46 1u22 n LEU 91 Ca 0.03 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 1u22 n LEU 91 Cb 0.64 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1u22 n LEU 91 CO 0.39 -0.77 0.36 0.47 -1.33 0.00 0.00 177.39 176.51 1u22 n ASP 92 N -3.35 0.00 -0.11 -1.43 8.00 -1.26 -1.83 116.55 116.56 1u22 n ASP 92 Ca 0.30 0.81 0.02 0.00 0.71 0.00 0.00 54.79 56.63 1u22 n ASP 92 Cb 1.57 -0.41 0.33 0.00 -0.02 0.00 0.00 41.12 42.60 1u22 n ASP 92 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1u22 h VAL 93 N 0.00 1.15 0.83 2.53 2.07 -1.78 -1.82 116.25 119.23 1u22 h VAL 93 Ca 0.00 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1u22 h VAL 93 Cb 0.00 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1u22 h VAL 93 CO 0.00 0.15 -0.40 0.22 0.02 0.00 0.00 177.57 177.56 1u22 h TYR 94 N 0.80 -1.03 0.00 1.57 3.20 -1.44 -2.87 116.97 117.20 1u22 h TYR 94 Ca 0.22 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1u22 h TYR 94 Cb -0.08 0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1u22 h TYR 94 CO -0.00 -0.63 0.00 1.19 -1.64 0.00 0.00 178.16 177.08 1u22 n PHE 95 N -5.53 0.69 0.63 -3.82 3.72 -0.76 -1.71 117.46 110.68 1u22 n PHE 95 Ca -0.14 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1u22 n PHE 95 Cb 0.45 -0.97 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 1u22 n PHE 95 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1u22 n SER 96 N -2.15 0.04 0.00 4.37 2.88 -0.69 -0.73 113.62 117.35 1u22 n SER 96 Ca 0.01 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1u22 n SER 96 Cb 0.18 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1u22 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u22 n ALA 98 N -0.39 0.00 -1.48 -1.46 0.00 -0.70 0.23 120.51 116.72 1u22 n ALA 98 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1u22 n ALA 98 Cb 0.01 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.56 1u22 n ALA 98 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1u22 n ARG 99 N 0.00 0.84 -1.20 0.00 1.85 0.09 -4.93 116.66 113.31 1u22 n ARG 99 Ca 0.00 -2.12 0.13 0.00 -1.00 0.00 0.00 57.85 54.87 1u22 n ARG 99 Cb 0.00 -1.12 -0.05 0.00 -1.05 0.00 0.00 32.46 30.23 1u22 n ARG 99 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u22 n GLY 100 N -0.87 -2.02 0.00 2.89 0.00 0.64 -4.68 105.19 101.15 1u22 n GLY 100 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1u22 n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u22 n ASN 101 N -4.21 1.82 -1.70 1.61 0.23 -1.03 -4.80 115.26 107.19 1u22 n ASN 101 Ca -0.04 -0.78 -0.12 0.00 -0.53 0.00 0.00 54.58 53.12 1u22 n ASN 101 Cb 0.61 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.35 1u22 n ASN 101 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u22 n ALA 102 N -3.00 4.48 -0.35 -2.53 0.00 -1.26 -3.76 120.51 114.09 1u22 n ALA 102 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1u22 n ALA 102 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1u22 n ALA 102 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u22 n SER 103 N 0.35 0.00 -4.03 0.00 3.41 -1.26 -5.13 113.62 106.96 1u22 n SER 103 Ca 0.23 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.72 1u22 n SER 103 Cb 0.69 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.52 1u22 n SER 103 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1u22 s VAL 104 N 0.00 0.41 0.59 -3.33 1.01 -1.25 -5.16 120.40 112.68 1u22 s VAL 104 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1u22 s VAL 104 Cb 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1u22 s VAL 104 CO 0.00 -0.39 0.94 -2.16 0.00 0.00 0.00 175.10 173.49 1u22 s PRO 105 N -1.46 3.20 0.00 2.72 0.04 -1.26 -2.45 135.00 135.78 1u22 s PRO 105 Ca -0.11 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1u22 s PRO 105 Cb -0.10 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1u22 s PRO 105 CO -0.00 -0.62 0.00 0.00 0.04 0.00 0.00 177.00 176.42 1u22 n ALA 106 N -2.63 0.00 -3.57 8.56 0.00 -1.26 -4.61 120.51 117.01 1u22 n ALA 106 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1u22 n ALA 106 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 1u22 n ALA 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u22 n GLU 108 N 0.00 1.44 -3.87 0.00 2.13 -1.26 -4.89 120.64 114.19 1u22 n GLU 108 Ca 0.00 -0.34 0.04 0.00 0.66 0.00 0.00 57.16 57.52 1u22 n GLU 108 Cb 0.00 0.04 0.01 0.00 0.27 0.00 0.00 31.44 31.76 1u22 n GLU 108 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1u22 s THR 110 N -0.31 0.00 0.47 6.31 -1.32 -0.57 -2.46 115.64 117.76 1u22 s THR 110 Ca 0.03 -0.05 -0.22 0.00 -1.21 0.00 0.00 61.69 60.25 1u22 s THR 110 Cb -0.00 -2.65 -0.08 0.00 -1.51 0.00 0.00 72.50 68.26 1u22 s THR 110 CO 0.02 0.00 1.09 -0.54 -2.21 0.00 0.00 174.62 172.98 1u22 s LYS 111 N -2.03 3.76 -0.64 7.08 3.01 -1.26 -0.49 119.74 129.17 1u22 s LYS 111 Ca 0.26 1.56 -0.24 0.00 -1.01 0.00 0.00 55.97 56.54 1u22 s LYS 111 Cb 0.02 -2.25 0.05 0.00 -1.01 0.00 0.00 37.83 34.65 1u22 s LYS 111 CO -0.04 -0.50 1.01 -0.46 0.51 0.00 0.00 175.35 175.88 1u22 s TRP 112 N -1.75 2.64 0.00 3.18 -0.00 0.47 -4.66 118.94 118.81 1u22 s TRP 112 Ca 0.66 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 56.45 1u22 s TRP 112 Cb -0.22 -4.29 0.00 0.00 -0.00 0.00 0.00 33.47 28.96 1u22 s TRP 112 CO 0.27 -1.63 0.00 1.19 -0.00 0.00 0.00 176.95 176.77 1u22 n PHE 113 N 7.92 0.00 -1.42 5.86 3.01 -1.26 -0.27 117.46 131.30 1u22 n PHE 113 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.28 1u22 n PHE 113 Cb 0.47 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.09 1u22 n PHE 113 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1u22 n ASP 114 N 3.29 3.93 -4.98 4.37 5.75 -1.26 -5.00 116.55 122.65 1u22 n ASP 114 Ca 0.00 -3.74 -0.19 0.00 -0.01 0.00 0.00 54.79 50.85 1u22 n ASP 114 Cb 0.00 -0.73 0.05 0.00 -1.03 0.00 0.00 41.12 39.41 1u22 n ASP 114 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u22 s THR 115 N -3.65 2.48 -0.75 2.12 -4.23 0.63 -4.96 115.64 107.28 1u22 s THR 115 Ca 0.52 -0.92 0.10 0.00 -1.18 0.00 0.00 61.69 60.21 1u22 s THR 115 Cb 0.45 -2.56 0.52 0.00 1.34 0.00 0.00 72.50 72.25 1u22 s THR 115 CO 0.03 0.00 1.33 0.59 -0.54 0.00 0.00 174.62 176.03 1u22 n ASN 116 N -2.19 3.87 -4.70 3.99 5.03 -1.26 -4.46 115.26 115.54 1u22 n ASN 116 Ca 0.12 -2.51 -0.32 0.00 0.87 0.00 0.00 54.58 52.74 1u22 n ASN 116 Cb 0.60 -0.57 -0.08 0.00 -1.02 0.00 0.00 39.78 38.71 1u22 n ASN 116 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1u22 s TYR 117 N -2.03 3.09 -0.04 3.10 5.04 -1.26 -4.62 117.35 120.62 1u22 s TYR 117 Ca 0.35 0.08 0.06 0.00 -2.44 0.00 0.00 57.07 55.12 1u22 s TYR 117 Cb 0.26 -1.65 -0.01 0.00 0.35 0.00 0.00 41.96 40.90 1u22 s TYR 117 CO 0.12 0.47 -0.22 -1.01 -1.34 0.00 0.00 175.55 173.58 1u22 s HIS 118 N -1.14 2.09 0.38 4.97 3.76 -0.89 0.18 115.29 124.64 1u22 s HIS 118 Ca 0.21 -0.55 0.08 0.00 -0.15 0.00 0.00 55.06 54.65 1u22 s HIS 118 Cb -0.12 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 1u22 s HIS 118 CO 0.12 -0.15 0.19 1.52 -0.85 0.00 0.00 174.74 175.57 1u22 s TYR 119 N -0.21 2.67 -0.73 1.40 -0.85 0.36 -4.71 117.35 115.28 1u22 s TYR 119 Ca -0.00 -0.47 -0.18 0.00 -0.52 0.00 0.00 57.07 55.90 1u22 s TYR 119 Cb -0.12 -1.83 0.14 0.00 0.38 0.00 0.00 41.96 40.54 1u22 s TYR 119 CO 0.02 0.22 0.81 0.42 -1.52 0.00 0.00 175.55 175.50 1u22 s ILE 120 N -2.50 5.01 0.06 -3.49 -1.09 -1.26 -1.52 121.20 116.42 1u22 s ILE 120 Ca 0.40 -1.52 -0.36 0.00 -2.23 0.00 0.00 60.65 56.94 1u22 s ILE 120 Cb -0.00 -4.55 -0.16 0.00 -1.58 0.00 0.00 42.46 36.17 1u22 s ILE 120 CO 0.23 -1.18 1.46 1.33 -1.23 0.00 0.00 174.94 175.55 1u22 n VAL 121 N 5.12 0.06 -2.09 2.92 0.24 -1.03 -4.51 118.33 119.04 1u22 n VAL 121 Ca 0.04 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.34 62.01 1u22 n VAL 121 Cb 0.45 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 1u22 n VAL 121 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1u22 s PRO 122 N 1.04 3.51 -0.40 7.34 0.02 -1.26 -4.65 135.00 140.60 1u22 s PRO 122 Ca 0.85 1.05 -0.06 0.00 0.02 0.00 0.00 61.00 62.86 1u22 s PRO 122 Cb -0.89 -2.07 0.09 0.00 0.02 0.00 0.00 34.50 31.66 1u22 s PRO 122 CO 0.47 -0.64 0.20 -1.21 -0.33 0.00 0.00 177.00 175.49 1u22 s GLU 123 N -4.29 2.35 0.33 5.54 2.02 -1.26 -1.59 118.70 121.80 1u22 s GLU 123 Ca 0.61 -1.58 0.08 0.00 0.02 0.00 0.00 54.97 54.10 1u22 s GLU 123 Cb -0.13 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 1u22 s GLU 123 CO 0.39 -0.96 0.12 -0.51 0.02 0.00 0.00 175.26 174.31 1u22 s LEU 124 N 1.29 3.23 -0.04 1.80 1.43 0.28 -4.67 118.68 122.00 1u22 s LEU 124 Ca 0.04 -0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 1u22 s LEU 124 Cb -0.23 -1.70 0.12 0.00 0.03 0.00 0.00 46.19 44.41 1u22 s LEU 124 CO -0.01 -0.27 1.33 -0.83 0.23 0.00 0.00 176.35 176.80 1u22 s GLY 125 N -3.82 -0.31 0.00 -3.19 0.00 -1.26 -0.35 107.32 98.39 1u22 s GLY 125 Ca 0.37 0.46 0.12 0.00 0.00 0.00 0.00 44.72 45.67 1u22 s GLY 125 CO 0.22 2.78 1.36 -1.05 0.00 0.00 0.00 173.10 176.42 1u22 n PRO 126 N -0.69 0.02 -0.11 2.90 -0.02 -1.26 -3.39 135.00 132.45 1u22 n PRO 126 Ca -0.03 0.28 0.06 0.00 -2.02 0.00 0.00 63.50 61.79 1u22 n PRO 126 Cb 0.61 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.71 1u22 n PRO 126 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u22 n GLU 127 N -1.47 1.96 -2.81 -0.52 1.02 -1.26 -4.98 120.64 112.57 1u22 n GLU 127 Ca 0.03 -1.72 -0.41 0.00 -0.02 0.00 0.00 57.16 55.04 1u22 n GLU 127 Cb 0.13 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 1u22 n GLU 127 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u22 s VAL 128 N -0.99 4.58 -0.68 2.62 0.11 -1.22 -5.01 120.40 119.82 1u22 s VAL 128 Ca 0.20 1.92 -0.17 0.00 -2.93 0.00 0.00 61.98 61.01 1u22 s VAL 128 Cb 0.11 -4.25 0.15 0.00 -1.53 0.00 0.00 36.38 30.86 1u22 s VAL 128 CO 0.16 0.33 0.71 0.21 -3.33 0.00 0.00 175.10 173.18 1u22 s ASN 129 N -0.02 6.40 0.37 3.54 2.47 -1.26 -5.02 114.94 121.42 1u22 s ASN 129 Ca 0.44 -1.96 -0.27 0.00 0.42 0.00 0.00 52.86 51.49 1u22 s ASN 129 Cb -0.22 -2.26 -0.09 0.00 -1.45 0.00 0.00 41.25 37.22 1u22 s ASN 129 CO 0.28 -0.88 1.26 -0.36 -3.72 0.00 0.00 177.10 173.67 1u22 s PHE 130 N 1.66 3.00 0.10 0.43 0.08 -1.26 -4.77 117.98 117.22 1u22 s PHE 130 Ca 0.13 1.47 -0.25 0.00 0.12 0.00 0.00 56.93 58.40 1u22 s PHE 130 Cb -0.20 -3.58 0.07 0.00 -0.57 0.00 0.00 43.02 38.74 1u22 s PHE 130 CO -0.01 -1.73 0.61 -1.54 -0.10 0.00 0.00 175.22 172.45 1u22 s SER 131 N -0.77 -0.58 -0.84 1.36 1.04 0.16 -4.97 113.70 109.11 1u22 s SER 131 Ca 0.54 0.20 -0.25 0.00 0.48 0.00 0.00 55.95 56.92 1u22 s SER 131 Cb -0.36 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1u22 s SER 131 CO 0.47 -0.86 1.85 -0.47 0.98 0.00 0.00 173.24 175.21 1u22 s TYR 132 N -3.00 1.87 -1.73 5.02 6.14 -1.26 -1.39 117.35 122.99 1u22 s TYR 132 Ca -0.03 0.49 0.16 0.00 0.64 0.00 0.00 57.07 58.33 1u22 s TYR 132 Cb -0.01 -4.15 0.25 0.00 0.42 0.00 0.00 41.96 38.47 1u22 s TYR 132 CO -0.06 -1.92 1.14 0.00 0.64 0.00 0.00 175.55 175.35 1u22 n ALA 133 N 12.97 2.39 -3.33 3.97 0.00 -1.23 -4.86 120.51 130.42 1u22 n ALA 133 Ca 0.33 -0.85 0.02 0.00 0.00 0.00 0.00 53.44 52.94 1u22 n ALA 133 Cb 0.49 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 1u22 n ALA 133 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u22 s SER 134 N -1.20 -1.23 -0.25 0.00 0.15 -1.14 -0.54 113.70 109.49 1u22 s SER 134 Ca 0.24 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1u22 s SER 134 Cb 0.15 2.16 0.24 0.00 -1.71 0.00 0.00 66.02 66.86 1u22 s SER 134 CO 0.21 -0.25 1.74 1.41 1.20 0.00 0.00 173.24 177.55 1u22 n HIS 135 N 5.43 1.38 -0.21 3.44 -0.00 -1.26 -4.53 115.22 119.47 1u22 n HIS 135 Ca -0.05 -1.53 -0.05 0.00 -0.00 0.00 0.00 57.72 56.09 1u22 n HIS 135 Cb 0.50 -0.76 0.05 0.00 -0.00 0.00 0.00 29.99 29.79 1u22 n HIS 135 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1u22 h LYS 136 N 0.99 0.75 0.00 -0.41 3.64 -1.95 0.43 116.57 120.02 1u22 h LYS 136 Ca 0.27 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1u22 h LYS 136 Cb 1.32 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1u22 h LYS 136 CO 0.60 0.50 0.00 0.00 -2.27 0.00 0.00 179.45 178.28 1u22 n ALA 137 N -2.29 -0.47 -0.25 5.00 0.00 -1.26 -0.61 120.51 120.63 1u22 n ALA 137 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1u22 n ALA 137 Cb 0.06 0.02 0.16 0.00 0.00 0.00 0.00 19.45 19.69 1u22 n ALA 137 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1u22 h VAL 138 N 0.00 0.76 0.13 0.00 3.04 -1.92 -0.05 116.25 118.21 1u22 h VAL 138 Ca 0.00 -0.18 0.02 0.00 -1.01 0.00 0.00 66.70 65.53 1u22 h VAL 138 Cb 0.00 0.19 -0.04 0.00 -2.01 0.00 0.00 31.29 29.43 1u22 h VAL 138 CO 0.00 0.09 -0.36 0.78 -1.01 0.00 0.00 177.57 177.07 1u22 h ASN 139 N 0.52 -1.05 -0.05 3.17 4.21 -0.89 -1.67 115.58 119.84 1u22 h ASN 139 Ca 0.38 0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.98 1u22 h ASN 139 Cb 0.48 0.39 -0.01 0.00 -1.12 0.00 0.00 38.32 38.07 1u22 h ASN 139 CO -0.33 -0.45 -0.02 -0.33 -1.29 0.00 0.00 177.43 175.01 1u22 h GLU 140 N -0.60 0.20 -0.02 0.81 5.08 -0.26 -1.59 114.58 118.20 1u22 h GLU 140 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u22 h GLU 140 Cb 0.62 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1u22 h GLU 140 CO -0.20 0.24 0.01 -0.92 -1.00 0.00 0.00 179.01 177.14 1u22 h TYR 141 N 0.20 0.03 -0.11 4.33 3.20 -0.29 -2.07 116.97 122.26 1u22 h TYR 141 Ca 0.05 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1u22 h TYR 141 Cb 0.18 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1u22 h TYR 141 CO 0.00 0.11 0.07 0.87 -1.64 0.00 0.00 178.16 177.57 1u22 h LYS 142 N -0.06 0.15 -0.62 1.82 1.57 -0.93 -1.25 116.57 117.24 1u22 h LYS 142 Ca 0.01 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1u22 h LYS 142 Cb 0.09 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.25 1u22 h LYS 142 CO -0.00 0.10 -0.10 1.49 -0.57 0.00 0.00 179.45 180.36 1u22 h GLU 143 N 0.15 0.03 -0.32 3.15 4.81 -1.17 0.34 114.58 121.57 1u22 h GLU 143 Ca 0.04 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1u22 h GLU 143 Cb -0.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1u22 h GLU 143 CO -0.01 0.02 -0.19 0.00 -0.73 0.00 0.00 179.01 178.11 1u22 h ALA 144 N 1.61 1.08 -0.30 2.92 0.00 -1.09 -2.63 119.26 120.86 1u22 h ALA 144 Ca 0.31 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1u22 h ALA 144 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1u22 h ALA 144 CO -0.61 0.56 -0.41 -0.22 0.00 0.00 0.00 179.25 178.57 1u22 h LYS 145 N 0.52 0.80 0.00 0.00 1.63 0.31 -1.22 116.57 118.61 1u22 h LYS 145 Ca 0.08 -0.46 -0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1u22 h LYS 145 Cb 0.62 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1u22 h LYS 145 CO 0.04 1.10 -0.00 0.00 -3.45 0.00 0.00 179.45 177.13 1u22 h ALA 146 N 0.69 1.01 -0.01 5.00 0.00 -0.33 -0.18 119.26 125.44 1u22 h ALA 146 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1u22 h ALA 146 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1u22 h ALA 146 CO 0.10 0.01 -0.17 1.28 0.00 0.00 0.00 179.25 180.47 1u22 n LEU 147 N -3.11 1.05 0.00 0.00 4.32 -1.00 -4.93 117.00 113.34 1u22 n LEU 147 Ca -0.01 -0.28 0.00 0.00 -0.02 0.00 0.00 56.01 55.69 1u22 n LEU 147 Cb 0.18 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1u22 n LEU 147 CO 0.23 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1u22 n GLY 148 N 1.28 0.74 3.17 -0.72 0.00 -0.08 -5.08 105.19 104.50 1u22 n GLY 148 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1u22 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u22 s VAL 149 N -2.04 1.64 -0.16 1.61 0.11 -0.49 -5.01 120.40 116.06 1u22 s VAL 149 Ca 0.00 -0.82 -0.16 0.00 -2.93 0.00 0.00 61.98 58.07 1u22 s VAL 149 Cb 0.00 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 1u22 s VAL 149 CO 0.00 0.47 0.41 -0.62 -3.33 0.00 0.00 175.10 172.03 1u22 s ASP 150 N 0.11 6.54 0.40 3.54 3.68 -1.26 -2.25 116.67 127.43 1u22 s ASP 150 Ca -0.07 0.64 0.07 0.00 2.13 0.00 0.00 52.55 55.32 1u22 s ASP 150 Cb -0.13 -2.24 -0.08 0.00 -1.45 0.00 0.00 42.92 39.01 1u22 s ASP 150 CO 0.04 -0.01 0.01 0.42 0.13 0.00 0.00 175.17 175.76 1u22 s THR 151 N 0.86 2.05 -0.37 1.71 -4.23 -1.26 -4.47 115.64 109.93 1u22 s THR 151 Ca 0.21 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1u22 s THR 151 Cb -0.14 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.79 1u22 s THR 151 CO 0.08 -0.02 0.16 -0.69 -0.54 0.00 0.00 174.62 173.61 1u22 s VAL 152 N -2.69 3.75 0.14 2.29 1.01 0.10 -4.83 120.40 120.16 1u22 s VAL 152 Ca 0.35 -1.43 -0.31 0.00 0.00 0.00 0.00 61.98 60.59 1u22 s VAL 152 Cb 0.09 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 1u22 s VAL 152 CO 0.18 -0.38 1.79 -2.84 0.00 0.00 0.00 175.10 173.85 1u22 s PRO 153 N 1.34 4.14 -0.28 2.72 0.02 -1.26 -1.91 135.00 139.77 1u22 s PRO 153 Ca 0.01 2.57 -0.11 0.00 0.02 0.00 0.00 61.00 63.50 1u22 s PRO 153 Cb -0.21 -3.49 -0.05 0.00 0.02 0.00 0.00 34.50 30.77 1u22 s PRO 153 CO 0.01 -0.81 0.19 0.08 -0.33 0.00 0.00 177.00 176.13 1u22 s VAL 154 N 2.41 5.29 0.08 3.83 1.01 -0.57 -0.87 120.40 131.59 1u22 s VAL 154 Ca 0.79 0.16 0.10 0.00 0.00 0.00 0.00 61.98 63.03 1u22 s VAL 154 Cb -0.46 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1u22 s VAL 154 CO 0.35 0.26 -0.26 -0.76 0.00 0.00 0.00 175.10 174.69 1u22 s LEU 155 N 1.71 2.23 -0.09 3.92 1.43 0.33 -4.78 118.68 123.44 1u22 s LEU 155 Ca 0.07 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 1u22 s LEU 155 Cb -0.16 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1u22 s LEU 155 CO 0.10 0.21 1.12 -0.69 0.23 0.00 0.00 176.35 177.32 1u22 s VAL 156 N -0.92 4.48 0.22 -1.59 1.01 -1.26 0.15 120.40 122.48 1u22 s VAL 156 Ca 0.12 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 1u22 s VAL 156 Cb -0.10 -4.15 -0.16 0.00 0.00 0.00 0.00 36.38 31.98 1u22 s VAL 156 CO 0.04 -0.02 0.80 0.61 0.00 0.00 0.00 175.10 176.52 1u22 n GLY 157 N 3.28 -0.94 0.16 4.51 0.00 0.21 -4.73 105.19 107.68 1u22 n GLY 157 Ca 0.10 0.38 -0.05 0.00 0.00 0.00 0.00 46.02 46.46 1u22 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u22 h PRO 158 N 1.73 0.10 -0.06 1.61 0.13 -1.93 0.12 132.00 133.71 1u22 h PRO 158 Ca -0.35 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.56 1u22 h PRO 158 Cb 1.39 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1u22 h PRO 158 CO 0.60 0.07 -0.84 -0.24 -0.23 0.00 0.00 178.00 177.35 1u22 h VAL 159 N 0.10 1.35 -0.74 1.56 3.04 -1.94 -2.14 116.25 117.49 1u22 h VAL 159 Ca 0.19 -2.21 -0.03 0.00 -1.01 0.00 0.00 66.70 63.63 1u22 h VAL 159 Cb 0.26 2.21 -0.03 0.00 -2.01 0.00 0.00 31.29 31.72 1u22 h VAL 159 CO -0.31 0.67 0.35 0.28 -1.01 0.00 0.00 177.57 177.54 1u22 h SER 160 N 0.33 0.97 -0.23 3.17 0.02 -1.83 0.01 113.55 115.99 1u22 h SER 160 Ca -0.06 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1u22 h SER 160 Cb 1.46 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 1u22 h SER 160 CO 0.15 0.84 -0.13 0.22 -1.14 0.00 0.00 176.83 176.78 1u22 h TYR 161 N 1.04 -0.31 -0.56 3.45 3.20 -0.62 0.27 116.97 123.45 1u22 h TYR 161 Ca 0.25 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 1u22 h TYR 161 Cb 0.13 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1u22 h TYR 161 CO 0.01 -0.19 0.14 -0.07 -1.64 0.00 0.00 178.16 176.41 1u22 h LEU 162 N -0.11 0.84 -0.86 2.82 3.38 -0.87 -2.19 115.31 118.32 1u22 h LEU 162 Ca 0.13 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1u22 h LEU 162 Cb 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1u22 h LEU 162 CO -0.30 0.85 0.29 -0.07 0.09 0.00 0.00 178.44 179.30 1u22 h LEU 163 N 0.79 1.04 -0.44 1.67 3.38 -0.48 -2.23 115.31 119.03 1u22 h LEU 163 Ca 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u22 h LEU 163 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1u22 h LEU 163 CO 0.00 0.93 0.00 0.18 0.09 0.00 0.00 178.44 179.64 1u22 n LEU 164 N -4.28 0.73 0.00 1.67 4.77 0.90 -4.83 117.00 115.96 1u22 n LEU 164 Ca 0.07 0.63 -0.09 0.00 -0.03 0.00 0.00 56.01 56.59 1u22 n LEU 164 Cb 0.19 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1u22 n LEU 164 CO 0.41 -0.42 0.25 -1.20 -1.33 0.00 0.00 177.39 175.09 1u22 n SER 165 N -2.25 -0.09 -3.72 -1.43 7.64 -0.84 -4.60 113.62 108.33 1u22 n SER 165 Ca 0.03 -1.10 -0.14 0.00 1.01 0.00 0.00 58.87 58.68 1u22 n SER 165 Cb 0.31 -0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 1u22 n SER 165 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1u22 s LYS 166 N -3.83 0.60 -0.20 1.43 -0.14 -0.62 -4.90 119.74 112.08 1u22 s LYS 166 Ca 0.22 0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 54.91 1u22 s LYS 166 Cb -0.01 0.28 -0.01 0.00 -1.68 0.00 0.00 37.83 36.42 1u22 s LYS 166 CO 0.15 -0.11 1.20 0.00 -0.76 0.00 0.00 175.35 175.83 1u22 s ALA 167 N -0.28 3.65 0.75 5.17 0.00 -1.24 0.10 121.76 129.90 1u22 s ALA 167 Ca -0.04 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 1u22 s ALA 167 Cb -0.03 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.52 1u22 s ALA 167 CO 0.02 -1.19 1.12 0.00 0.00 0.00 0.00 175.76 175.72 1u22 s ALA 168 N 3.48 2.17 0.22 0.00 0.00 0.53 -4.83 121.76 123.33 1u22 s ALA 168 Ca 0.52 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 1u22 s ALA 168 Cb -0.19 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 1u22 s ALA 168 CO 0.13 -1.80 0.26 1.63 0.00 0.00 0.00 175.76 175.97 1u22 n LYS 169 N -3.18 0.00 0.00 0.00 5.02 -1.26 -2.37 118.16 116.37 1u22 n LYS 169 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1u22 n LYS 169 Cb 0.52 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 1u22 n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u22 n GLY 170 N 1.64 2.33 3.01 0.72 0.00 -1.26 -4.96 105.19 106.67 1u22 n GLY 170 Ca 0.12 -0.44 -0.49 0.00 0.00 0.00 0.00 46.02 45.21 1u22 n GLY 170 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u22 n VAL 171 N 0.00 0.00 -1.49 1.61 0.31 -1.00 -4.73 118.33 113.03 1u22 n VAL 171 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1u22 n VAL 171 Cb 0.00 -0.45 0.02 0.00 -0.91 0.00 0.00 33.84 32.50 1u22 n VAL 171 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1u22 n ASP 172 N 7.65 -0.49 -0.32 4.52 5.75 -1.26 -4.84 116.55 127.56 1u22 n ASP 172 Ca 0.53 0.88 0.21 0.00 -0.01 0.00 0.00 54.79 56.41 1u22 n ASP 172 Cb -0.02 -1.18 0.43 0.00 -1.03 0.00 0.00 41.12 39.32 1u22 n ASP 172 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1u22 h LYS 173 N 0.77 0.18 0.00 0.11 2.10 -2.00 -1.88 116.57 115.85 1u22 h LYS 173 Ca -0.43 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1u22 h LYS 173 Cb 1.39 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1u22 h LYS 173 CO 0.51 0.12 0.00 -1.13 -2.00 0.00 0.00 179.45 176.95 1u22 n SER 174 N -5.20 0.00 -4.73 7.07 3.41 -1.26 -4.86 113.62 108.06 1u22 n SER 174 Ca 0.29 -0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.42 1u22 n SER 174 Cb 0.94 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1u22 n SER 174 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1u22 s PHE 175 N -2.59 3.14 -0.23 7.33 5.36 -0.71 -4.99 117.98 125.30 1u22 s PHE 175 Ca 0.24 0.92 -0.12 0.00 -0.96 0.00 0.00 56.93 57.01 1u22 s PHE 175 Cb 0.17 -3.77 -0.05 0.00 -0.34 0.00 0.00 43.02 39.03 1u22 s PHE 175 CO 0.40 -2.67 0.21 -2.00 -1.46 0.00 0.00 175.22 169.69 1u22 s GLU 176 N 0.57 4.10 0.29 10.12 -6.30 -1.26 -4.98 118.70 121.24 1u22 s GLU 176 Ca 0.64 -0.17 -0.02 0.00 -2.50 0.00 0.00 54.97 52.92 1u22 s GLU 176 Cb -0.40 -3.53 0.43 0.00 0.00 0.00 0.00 34.13 30.63 1u22 s GLU 176 CO 0.35 0.05 1.95 -0.07 0.02 0.00 0.00 175.26 177.56 1u22 h LEU 177 N 7.49 0.98 0.00 2.70 3.38 -1.94 -1.39 115.31 126.54 1u22 h LEU 177 Ca -0.38 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1u22 h LEU 177 Cb 1.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1u22 h LEU 177 CO 0.67 0.69 0.00 0.18 0.09 0.00 0.00 178.44 180.08 1u22 n LEU 178 N -4.42 0.00 -0.01 1.67 4.32 -1.26 -1.71 117.00 115.58 1u22 n LEU 178 Ca 0.11 0.15 0.15 0.00 -0.02 0.00 0.00 56.01 56.40 1u22 n LEU 178 Cb 0.07 -0.15 0.89 0.00 -1.62 0.00 0.00 43.42 42.60 1u22 n LEU 178 CO 0.36 -0.13 1.07 -1.54 -1.22 0.00 0.00 177.39 175.93 1u22 n SER 179 N -1.15 0.03 -0.50 -1.43 3.41 -0.52 -2.86 113.62 110.60 1u22 n SER 179 Ca 0.03 -1.07 0.10 0.00 -0.26 0.00 0.00 58.87 57.67 1u22 n SER 179 Cb 0.03 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1u22 n SER 179 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u22 n LEU 180 N -0.94 1.99 -0.29 1.04 4.77 -0.69 -4.40 117.00 118.47 1u22 n LEU 180 Ca 0.23 -0.80 0.32 0.00 -0.03 0.00 0.00 56.01 55.73 1u22 n LEU 180 Cb 0.11 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 41.92 1u22 n LEU 180 CO 0.17 0.37 1.30 -0.07 -1.33 0.00 0.00 177.39 177.83 1u22 h LEU 181 N 2.46 0.05 -0.58 2.23 3.38 -1.74 0.22 115.31 121.33 1u22 h LEU 181 Ca 0.00 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1u22 h LEU 181 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1u22 h LEU 181 CO 0.00 0.01 -0.56 -0.65 0.09 0.00 0.00 178.44 177.33 1u22 h PRO 182 N 0.05 0.44 0.00 1.13 0.11 -1.85 -2.42 132.00 129.46 1u22 h PRO 182 Ca 0.54 -0.28 -0.07 0.00 0.11 0.00 0.00 66.00 66.29 1u22 h PRO 182 Cb 2.06 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 33.19 1u22 h PRO 182 CO -0.04 0.89 -0.58 0.87 -0.21 0.00 0.00 178.00 178.92 1u22 h LYS 183 N 0.34 0.00 0.03 1.05 1.57 -0.89 -3.37 116.57 115.30 1u22 h LYS 183 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.44 1u22 h LYS 183 Cb 1.09 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1u22 h LYS 183 CO 0.10 0.27 -2.08 0.44 -0.57 0.00 0.00 179.45 177.61 1u22 n ILE 184 N -3.07 1.58 -0.28 1.86 -5.35 -0.89 -4.41 119.36 108.80 1u22 n ILE 184 Ca 0.00 -0.74 0.05 0.00 -0.27 0.00 0.00 62.75 61.80 1u22 n ILE 184 Cb 0.68 -1.12 0.28 0.00 -1.74 0.00 0.00 39.64 37.73 1u22 n ILE 184 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1u22 h LEU 185 N 0.02 0.83 -1.19 7.28 5.85 -1.59 -1.71 115.31 124.80 1u22 h LEU 185 Ca -0.43 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1u22 h LEU 185 Cb 2.06 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.88 1u22 h LEU 185 CO 0.04 0.52 0.55 -0.65 -0.34 0.00 0.00 178.44 178.57 1u22 h PRO 186 N 0.94 1.04 -0.32 5.25 0.11 -1.77 -1.43 132.00 135.82 1u22 h PRO 186 Ca 0.38 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.26 1u22 h PRO 186 Cb 0.28 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1u22 h PRO 186 CO -0.15 0.69 -0.47 0.82 -0.21 0.00 0.00 178.00 178.67 1u22 h ILE 187 N 1.07 1.28 -0.99 4.15 2.04 -1.56 -2.20 117.51 121.30 1u22 h ILE 187 Ca 0.33 -1.66 0.03 0.00 1.00 0.00 0.00 64.86 64.56 1u22 h ILE 187 Cb -0.02 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1u22 h ILE 187 CO -0.09 0.54 0.65 1.88 0.00 0.00 0.00 178.15 181.13 1u22 h TYR 188 N 0.68 1.22 0.26 1.37 -1.99 -0.83 -1.16 116.97 116.53 1u22 h TYR 188 Ca 0.03 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1u22 h TYR 188 Cb 1.07 -0.41 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1u22 h TYR 188 CO 0.06 0.71 -0.14 0.87 -0.00 0.00 0.00 178.16 179.67 1u22 h LYS 189 N 1.26 -0.36 -0.61 4.88 1.57 -0.94 0.25 116.57 122.63 1u22 h LYS 189 Ca 0.39 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.27 1u22 h LYS 189 Cb -0.02 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1u22 h LYS 189 CO -0.12 -0.24 0.28 0.93 -0.57 0.00 0.00 179.45 179.73 1u22 h GLU 190 N -0.37 0.48 0.41 3.15 5.08 -0.90 0.33 114.58 122.76 1u22 h GLU 190 Ca -0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1u22 h GLU 190 Cb 0.29 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1u22 h GLU 190 CO 0.05 0.32 -0.20 0.28 -1.00 0.00 0.00 179.01 178.46 1u22 h VAL 191 N 0.50 0.59 -0.06 3.13 2.07 -0.93 -1.46 116.25 120.10 1u22 h VAL 191 Ca 0.29 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.76 1u22 h VAL 191 Cb 0.29 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1u22 h VAL 191 CO -0.25 0.01 0.07 0.40 0.02 0.00 0.00 177.57 177.82 1u22 h ILE 192 N -0.60 0.49 -0.02 4.57 2.04 0.22 -2.06 117.51 122.16 1u22 h ILE 192 Ca -0.06 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 1u22 h ILE 192 Cb 0.45 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1u22 h ILE 192 CO 0.09 0.00 -0.34 0.74 0.00 0.00 0.00 178.15 178.65 1u22 h THR 193 N 0.00 1.49 -0.13 -0.27 2.02 0.10 -2.82 112.91 113.30 1u22 h THR 193 Ca 0.03 -1.91 -0.03 0.00 0.77 0.00 0.00 66.41 65.26 1u22 h THR 193 Cb 0.16 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1u22 h THR 193 CO -0.00 0.54 -0.07 -0.33 0.37 0.00 0.00 175.52 176.02 1u22 h GLU 194 N -0.34 0.19 -0.12 6.66 5.08 -0.60 -0.06 114.58 125.40 1u22 h GLU 194 Ca -0.04 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1u22 h GLU 194 Cb 1.06 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1u22 h GLU 194 CO 0.07 0.28 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.11 1u22 h LEU 195 N 0.19 0.36 -0.66 1.33 4.07 -1.48 -0.37 115.31 118.76 1u22 h LEU 195 Ca 0.04 -0.53 0.06 0.00 0.08 0.00 0.00 57.88 57.53 1u22 h LEU 195 Cb 0.26 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 1u22 h LEU 195 CO 0.01 0.83 0.37 0.11 -1.08 0.00 0.00 178.44 178.67 1u22 h LYS 196 N -0.08 0.66 -0.34 1.13 1.57 -1.20 -1.26 116.57 117.05 1u22 h LYS 196 Ca 0.01 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1u22 h LYS 196 Cb 0.75 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1u22 h LYS 196 CO 0.04 0.43 0.22 0.00 -0.57 0.00 0.00 179.45 179.58 1u22 h ALA 197 N 1.34 1.85 -0.01 3.86 0.00 -0.79 -1.78 119.26 123.74 1u22 h ALA 197 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1u22 h ALA 197 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u22 h ALA 197 CO -0.18 0.11 -0.21 0.00 0.00 0.00 0.00 179.25 178.97 1u22 n ALA 198 N -2.50 2.97 0.00 0.00 0.00 -0.17 -4.93 120.51 115.88 1u22 n ALA 198 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1u22 n ALA 198 Cb 0.13 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1u22 n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u22 n GLY 199 N 1.33 1.99 3.54 0.00 0.00 -0.67 -4.98 105.19 106.40 1u22 n GLY 199 Ca 0.13 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.61 1u22 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u22 n ALA 200 N 0.00 -2.09 0.14 4.61 0.00 -0.58 -4.86 120.51 117.73 1u22 n ALA 200 Ca 0.00 0.53 0.02 0.00 0.00 0.00 0.00 53.44 53.99 1u22 n ALA 200 Cb 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 19.45 17.56 1u22 n ALA 200 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u22 n THR 201 N 1.78 0.11 -3.72 0.00 -2.24 -1.26 -4.47 114.28 104.47 1u22 n THR 201 Ca 0.18 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 1u22 n THR 201 Cb 0.16 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.33 1u22 n THR 201 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1u22 s TRP 202 N -0.41 -0.29 0.18 4.78 0.52 -1.26 -2.34 118.94 120.12 1u22 s TRP 202 Ca 0.05 0.52 -0.01 0.00 0.02 0.00 0.00 56.10 56.69 1u22 s TRP 202 Cb 0.03 0.15 -0.04 0.00 -1.15 0.00 0.00 33.47 32.46 1u22 s TRP 202 CO 0.05 -0.39 0.10 -1.50 0.02 0.00 0.00 176.95 175.23 1u22 s ILE 203 N -1.04 0.13 -0.17 2.03 2.07 -0.48 -4.17 121.20 119.57 1u22 s ILE 203 Ca -0.11 -1.97 -0.04 0.00 -1.41 0.00 0.00 60.65 57.12 1u22 s ILE 203 Cb -0.04 -2.36 0.08 0.00 0.13 0.00 0.00 42.46 40.27 1u22 s ILE 203 CO 0.04 -0.17 0.18 -1.58 -1.91 0.00 0.00 174.94 171.50 1u22 s GLN 204 N -4.10 0.13 -0.27 3.50 0.74 -0.05 -1.89 119.66 117.72 1u22 s GLN 204 Ca 0.34 0.20 -0.13 0.00 0.05 0.00 0.00 55.36 55.82 1u22 s GLN 204 Cb 0.07 -1.19 -0.04 0.00 1.10 0.00 0.00 33.01 32.95 1u22 s GLN 204 CO 0.09 -0.59 0.28 -0.51 -0.55 0.00 0.00 175.29 174.00 1u22 s LEU 205 N 2.27 4.05 -0.48 3.68 2.01 -0.70 0.12 118.68 129.63 1u22 s LEU 205 Ca 0.05 0.16 -0.24 0.00 0.01 0.00 0.00 54.13 54.11 1u22 s LEU 205 Cb -0.15 -2.27 0.03 0.00 0.01 0.00 0.00 46.19 43.81 1u22 s LEU 205 CO -0.10 -0.09 0.86 -1.81 1.01 0.00 0.00 176.35 176.21 1u22 s ASP 206 N 1.59 6.41 -0.63 2.29 1.11 0.40 -1.56 116.67 126.27 1u22 s ASP 206 Ca 0.11 -0.15 0.05 0.00 0.18 0.00 0.00 52.55 52.74 1u22 s ASP 206 Cb -0.16 -2.41 0.31 0.00 1.07 0.00 0.00 42.92 41.73 1u22 s ASP 206 CO 0.10 -1.03 0.94 -0.62 1.18 0.00 0.00 175.17 175.73 1u22 n GLU 207 N 7.00 3.15 0.25 8.23 -0.58 -0.19 0.67 120.64 139.18 1u22 n GLU 207 Ca 0.03 -4.79 0.08 0.00 -0.42 0.00 0.00 57.16 52.06 1u22 n GLU 207 Cb 0.48 -2.26 0.62 0.00 -0.57 0.00 0.00 31.44 29.71 1u22 n GLU 207 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1u22 h PRO 208 N 3.48 0.00 0.00 3.49 0.13 -1.92 -2.86 132.00 134.32 1u22 h PRO 208 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1u22 h PRO 208 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1u22 h PRO 208 CO 0.85 0.10 0.00 0.28 -0.23 0.00 0.00 178.00 179.01 1u22 n VAL 209 N -4.24 1.43 0.66 1.56 0.31 -1.26 -0.99 118.33 115.80 1u22 n VAL 209 Ca -0.03 0.64 0.09 0.00 -0.01 0.00 0.00 64.34 65.03 1u22 n VAL 209 Cb 0.18 -1.64 0.40 0.00 -0.91 0.00 0.00 33.84 31.87 1u22 n VAL 209 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1u22 n LEU 210 N -1.95 0.00 -2.69 7.52 4.77 -1.08 -4.73 117.00 118.85 1u22 n LEU 210 Ca -0.01 0.47 -0.32 0.00 -0.03 0.00 0.00 56.01 56.12 1u22 n LEU 210 Cb 0.02 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 1u22 n LEU 210 CO 0.06 -0.18 1.59 1.33 -1.33 0.00 0.00 177.39 178.86 1u22 n VAL 211 N -1.47 3.51 -3.74 4.08 0.24 -0.16 -4.47 118.33 116.32 1u22 n VAL 211 Ca 0.05 -3.54 -0.38 0.00 -2.04 0.00 0.00 64.34 58.43 1u22 n VAL 211 Cb 0.20 -1.48 -0.12 0.00 -1.47 0.00 0.00 33.84 30.97 1u22 n VAL 211 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1u22 s ASP 213 N -0.18 5.33 -0.02 -1.34 1.01 -1.26 -4.81 116.67 115.40 1u22 s ASP 213 Ca 0.56 -1.39 0.05 0.00 0.71 0.00 0.00 52.55 52.48 1u22 s ASP 213 Cb 0.40 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 42.43 1u22 s ASP 213 CO -0.29 -0.40 -0.16 -0.76 0.21 0.00 0.00 175.17 173.77 1u22 s LEU 214 N 1.35 2.66 0.52 1.23 1.02 -1.26 -5.12 118.68 119.09 1u22 s LEU 214 Ca 0.01 -0.27 -0.18 0.00 0.02 0.00 0.00 54.13 53.71 1u22 s LEU 214 Cb -0.21 -1.54 -0.07 0.00 0.02 0.00 0.00 46.19 44.39 1u22 s LEU 214 CO 0.01 0.32 1.01 -1.83 0.02 0.00 0.00 176.35 175.89 1u22 s GLU 215 N -0.91 3.75 0.56 1.70 -1.05 -1.26 -4.82 118.70 116.67 1u22 s GLU 215 Ca 0.12 1.14 0.28 0.00 -0.15 0.00 0.00 54.97 56.36 1u22 s GLU 215 Cb -0.11 -2.10 1.47 0.00 -0.44 0.00 0.00 34.13 32.95 1u22 s GLU 215 CO 0.02 -0.45 1.97 0.78 0.95 0.00 0.00 175.26 178.53 1u22 h GLY 216 N 1.01 0.00 1.88 -3.83 0.00 -2.00 0.95 103.07 101.09 1u22 h GLY 216 Ca -0.48 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 1u22 h GLY 216 CO 0.60 0.00 -0.60 1.46 0.00 0.00 0.00 176.54 177.99 1u22 h GLN 217 N 0.00 0.12 0.12 4.80 7.50 -1.98 -1.36 115.11 124.31 1u22 h GLN 217 Ca 0.24 -0.08 -0.16 0.00 0.50 0.00 0.00 58.65 59.14 1u22 h GLN 217 Cb 1.08 0.01 0.02 0.00 0.05 0.00 0.00 27.48 28.64 1u22 h GLN 217 CO -0.00 0.69 -0.72 0.87 -1.50 0.00 0.00 178.83 178.17 1u22 h LYS 218 N 0.09 0.27 -0.94 1.46 1.57 -1.23 -3.00 116.57 114.79 1u22 h LYS 218 Ca -0.01 -0.45 0.13 0.00 -1.87 0.00 0.00 60.65 58.45 1u22 h LYS 218 Cb 1.09 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 33.49 1u22 h LYS 218 CO 0.09 1.21 0.60 -0.07 -0.57 0.00 0.00 179.45 180.71 1u22 h LEU 219 N -0.44 0.78 -1.81 2.94 3.38 -1.21 0.81 115.31 119.76 1u22 h LEU 219 Ca -0.12 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1u22 h LEU 219 Cb 1.56 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1u22 h LEU 219 CO 0.13 0.40 -0.12 -0.61 0.09 0.00 0.00 178.44 178.34 1u22 h GLN 220 N 0.83 0.00 -0.19 1.13 5.75 -1.27 -2.21 115.11 119.15 1u22 h GLN 220 Ca 0.47 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.88 1u22 h GLN 220 Cb 0.61 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 1u22 h GLN 220 CO -0.23 0.12 -0.26 0.00 -2.65 0.00 0.00 178.83 175.81 1u22 h ALA 221 N 1.88 1.21 -0.15 3.38 0.00 0.80 -2.69 119.26 123.69 1u22 h ALA 221 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1u22 h ALA 221 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1u22 h ALA 221 CO 0.02 0.51 0.05 0.74 0.00 0.00 0.00 179.25 180.57 1u22 h PHE 222 N 0.31 0.24 -0.87 0.00 -1.00 -1.23 -3.05 116.94 111.35 1u22 h PHE 222 Ca 0.05 -0.02 0.14 0.00 2.81 0.00 0.00 57.97 60.94 1u22 h PHE 222 Cb 0.63 -0.07 -0.09 0.00 3.61 0.00 0.00 35.95 40.03 1u22 h PHE 222 CO 0.01 0.35 0.47 1.15 -1.61 0.00 0.00 178.31 178.68 1u22 h THR 223 N 0.06 0.78 0.00 -1.55 2.02 -1.47 -1.84 112.91 110.91 1u22 h THR 223 Ca 0.05 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1u22 h THR 223 Cb 0.22 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1u22 h THR 223 CO -0.00 0.13 -0.43 1.23 0.37 0.00 0.00 175.52 176.82 1u22 h GLY 224 N 0.70 0.00 0.48 2.16 0.00 -1.46 -2.50 103.07 102.46 1u22 h GLY 224 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1u22 h GLY 224 CO -0.33 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.00 1u22 h ALA 225 N 1.57 -0.60 0.00 3.60 0.00 -1.23 -2.58 119.26 120.01 1u22 h ALA 225 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u22 h ALA 225 Cb 0.93 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1u22 h ALA 225 CO 0.06 -0.58 -0.01 1.88 0.00 0.00 0.00 179.25 180.60 1u22 h TYR 226 N -1.13 0.00 0.34 0.00 -1.99 -1.56 0.34 116.97 112.97 1u22 h TYR 226 Ca -0.06 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1u22 h TYR 226 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.23 1u22 h TYR 226 CO 0.01 0.01 -0.16 0.00 -0.00 0.00 0.00 178.16 178.01 1u22 h ALA 227 N 1.99 -0.45 0.00 3.88 0.00 -1.47 -0.63 119.26 122.58 1u22 h ALA 227 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1u22 h ALA 227 Cb 0.20 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1u22 h ALA 227 CO 0.00 -0.54 0.00 1.49 0.00 0.00 0.00 179.25 180.20 1u22 h GLU 228 N -0.89 0.00 0.00 0.00 4.57 -0.86 -2.62 114.58 114.78 1u22 h GLU 228 Ca -0.05 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.86 1u22 h GLU 228 Cb 0.53 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.07 1u22 h GLU 228 CO 0.08 0.00 -1.91 1.28 -1.18 0.00 0.00 179.01 177.28 1u22 n LEU 229 N -2.45 0.51 -0.27 1.64 4.32 0.01 -4.62 117.00 116.14 1u22 n LEU 229 Ca -0.01 0.24 -0.03 0.00 -0.02 0.00 0.00 56.01 56.19 1u22 n LEU 229 Cb 0.09 0.26 -0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1u22 n LEU 229 CO 0.14 0.36 0.38 1.21 -1.22 0.00 0.00 177.39 178.26 1u22 n GLU 230 N -2.86 -0.21 -0.22 3.23 2.13 -0.26 -1.02 120.64 121.43 1u22 n GLU 230 Ca -0.20 1.05 -0.00 0.00 0.66 0.00 0.00 57.16 58.66 1u22 n GLU 230 Cb 1.02 -1.55 0.11 0.00 0.27 0.00 0.00 31.44 31.29 1u22 n GLU 230 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1u22 h SER 231 N 0.00 0.43 0.98 4.31 4.64 -1.82 -1.07 113.55 121.04 1u22 h SER 231 Ca 0.20 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1u22 h SER 231 Cb 0.37 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1u22 h SER 231 CO -0.67 0.27 -0.04 0.74 -0.87 0.00 0.00 176.83 176.25 1u22 h THR 232 N 0.58 0.12 -0.00 2.95 2.02 -1.39 -2.64 112.91 114.54 1u22 h THR 232 Ca 0.31 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1u22 h THR 232 Cb 0.29 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1u22 h THR 232 CO -0.24 0.04 -0.23 0.18 0.37 0.00 0.00 175.52 175.64 1u22 n LEU 233 N -3.16 0.63 -4.60 2.58 4.32 -0.45 -4.84 117.00 111.47 1u22 n LEU 233 Ca 0.00 -0.05 -0.44 0.00 -0.02 0.00 0.00 56.01 55.50 1u22 n LEU 233 Cb 0.33 -0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 41.91 1u22 n LEU 233 CO 0.28 0.12 0.61 -1.20 -1.22 0.00 0.00 177.39 175.98 1u22 n SER 234 N -1.01 1.44 -3.09 -1.43 7.64 -0.91 -3.15 113.62 113.13 1u22 n SER 234 Ca 0.11 1.18 -0.14 0.00 1.01 0.00 0.00 58.87 61.04 1u22 n SER 234 Cb 0.32 -1.31 0.01 0.00 -1.01 0.00 0.00 64.21 62.23 1u22 n SER 234 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u22 n GLY 235 N 1.20 -1.26 0.00 0.23 0.00 -1.26 -5.01 105.19 99.10 1u22 n GLY 235 Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1u22 n GLY 235 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u22 n LEU 236 N 0.30 0.00 -4.70 0.99 7.94 -1.19 -5.03 117.00 115.31 1u22 n LEU 236 Ca 0.01 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.50 1u22 n LEU 236 Cb 0.43 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.35 1u22 n LEU 236 CO 0.39 0.00 0.60 0.20 -1.11 0.00 0.00 177.39 177.47 1u22 s ASN 237 N 0.00 7.16 -0.26 1.96 0.01 -0.99 -4.90 114.94 117.92 1u22 s ASN 237 Ca 0.00 1.40 -0.02 0.00 -0.71 0.00 0.00 52.86 53.53 1u22 s ASN 237 Cb 0.00 -2.50 0.03 0.00 0.41 0.00 0.00 41.25 39.19 1u22 s ASN 237 CO 0.00 -0.27 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.59 1u22 s VAL 238 N 1.31 2.98 -0.32 1.60 1.01 -1.26 -1.38 120.40 124.35 1u22 s VAL 238 Ca 0.44 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1u22 s VAL 238 Cb -0.19 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1u22 s VAL 238 CO 0.21 0.15 0.23 -0.22 0.00 0.00 0.00 175.10 175.46 1u22 s LEU 239 N 1.33 4.35 -0.31 3.92 1.98 -0.79 -1.07 118.68 128.08 1u22 s LEU 239 Ca -0.00 -0.27 -0.13 0.00 -2.89 0.00 0.00 54.13 50.83 1u22 s LEU 239 Cb -0.17 -2.14 -0.03 0.00 0.66 0.00 0.00 46.19 44.51 1u22 s LEU 239 CO -0.03 -0.17 0.29 -0.69 -1.89 0.00 0.00 176.35 173.85 1u22 s VAL 240 N 1.74 5.24 0.13 1.68 1.01 -1.03 -1.72 120.40 127.45 1u22 s VAL 240 Ca 0.07 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1u22 s VAL 240 Cb -0.17 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1u22 s VAL 240 CO 0.11 0.06 0.45 -1.61 0.00 0.00 0.00 175.10 174.11 1u22 s GLU 241 N 1.88 3.79 -0.02 2.72 0.41 -0.60 -0.24 118.70 126.63 1u22 s GLU 241 Ca 0.09 0.21 -0.04 0.00 -0.41 0.00 0.00 54.97 54.82 1u22 s GLU 241 Cb -0.16 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.29 1u22 s GLU 241 CO 0.11 0.49 0.10 0.95 -0.49 0.00 0.00 175.26 176.42 1u22 s THR 242 N -1.53 0.03 0.14 3.63 -4.23 -0.87 -1.02 115.64 111.79 1u22 s THR 242 Ca 0.38 -0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 60.36 1u22 s THR 242 Cb -0.13 -0.25 0.07 0.00 1.34 0.00 0.00 72.50 73.53 1u22 s THR 242 CO 0.20 -0.16 0.73 -0.72 -0.54 0.00 0.00 174.62 174.13 1u22 s TYR 243 N -0.49 -0.40 0.00 3.99 -0.85 -1.26 -3.55 117.35 114.79 1u22 s TYR 243 Ca -0.06 0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 1u22 s TYR 243 Cb -0.04 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.89 1u22 s TYR 243 CO 0.00 -0.83 0.00 1.19 -1.52 0.00 0.00 175.55 174.39 1u22 n PHE 244 N -0.37 0.00 -3.82 -3.49 3.72 -1.26 -4.92 117.46 107.32 1u22 n PHE 244 Ca -0.12 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.20 1u22 n PHE 244 Cb 0.63 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.18 1u22 n PHE 244 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u22 s ALA 245 N -2.35 -0.92 0.49 4.37 0.00 -1.26 -4.80 121.76 117.29 1u22 s ALA 245 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 1u22 s ALA 245 Cb 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 1u22 s ALA 245 CO 0.00 -1.00 0.90 0.16 0.00 0.00 0.00 175.76 175.81 1u22 s ASP 246 N -3.06 6.46 -0.11 0.00 -4.77 -1.25 -4.22 116.67 109.72 1u22 s ASP 246 Ca 0.15 1.31 -0.20 0.00 -3.30 0.00 0.00 52.55 50.51 1u22 s ASP 246 Cb -0.05 -2.40 -0.04 0.00 -1.09 0.00 0.00 42.92 39.34 1u22 s ASP 246 CO 0.10 -0.58 0.54 -0.63 0.70 0.00 0.00 175.17 175.30 1u22 s ILE 247 N -2.67 5.15 0.64 2.11 1.09 -1.26 -4.78 121.20 121.48 1u22 s ILE 247 Ca 0.54 1.09 -0.18 0.00 -1.10 0.00 0.00 60.65 61.00 1u22 s ILE 247 Cb -0.10 -3.88 -0.02 0.00 -1.06 0.00 0.00 42.46 37.40 1u22 s ILE 247 CO 0.38 0.30 1.29 -2.84 -0.10 0.00 0.00 174.94 173.97 1u22 s PRO 248 N 0.71 2.61 0.40 2.79 0.02 -1.26 -4.71 135.00 135.57 1u22 s PRO 248 Ca 0.29 2.06 0.13 0.00 0.02 0.00 0.00 61.00 63.49 1u22 s PRO 248 Cb -0.16 -1.87 0.96 0.00 0.02 0.00 0.00 34.50 33.45 1u22 s PRO 248 CO 0.12 -1.55 1.92 0.00 -0.33 0.00 0.00 177.00 177.17 1u22 h ALA 249 N 0.62 1.98 0.01 -1.55 0.00 -1.99 0.15 119.26 118.49 1u22 h ALA 249 Ca -0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1u22 h ALA 249 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1u22 h ALA 249 CO 0.53 -0.17 -0.00 0.93 0.00 0.00 0.00 179.25 180.54 1u22 h GLU 250 N 0.52 -0.01 -0.17 0.00 4.39 -1.99 -2.79 114.58 114.52 1u22 h GLU 250 Ca 0.36 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.12 1u22 h GLU 250 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1u22 h GLU 250 CO -0.13 0.42 0.13 0.00 -1.16 0.00 0.00 179.01 178.27 1u22 h ALA 251 N 0.53 2.15 -0.41 3.43 0.00 -1.60 0.03 119.26 123.38 1u22 h ALA 251 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1u22 h ALA 251 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1u22 h ALA 251 CO 0.00 -0.22 -0.17 -0.92 0.00 0.00 0.00 179.25 177.94 1u22 h TYR 252 N 0.00 0.87 0.69 0.00 3.20 -0.58 -1.40 116.97 119.76 1u22 h TYR 252 Ca 0.08 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 1u22 h TYR 252 Cb 0.34 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.40 1u22 h TYR 252 CO 0.00 0.89 -0.33 0.87 -1.64 0.00 0.00 178.16 177.95 1u22 h LYS 253 N 0.69 -0.90 -0.61 1.82 1.57 -0.73 -2.06 116.57 116.36 1u22 h LYS 253 Ca 0.11 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1u22 h LYS 253 Cb 0.67 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 33.09 1u22 h LYS 253 CO 0.05 -0.57 0.04 1.15 -0.57 0.00 0.00 179.45 179.55 1u22 h THR 254 N -1.10 0.54 0.00 -0.16 2.02 -1.46 -2.93 112.91 109.82 1u22 h THR 254 Ca -0.10 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1u22 h THR 254 Cb 0.75 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1u22 h THR 254 CO 0.16 0.03 0.00 -0.11 0.37 0.00 0.00 175.52 175.97 1u22 n LEU 255 N -5.23 0.00 0.00 2.58 0.00 -0.53 -2.50 117.00 111.32 1u22 n LEU 255 Ca 0.09 0.97 0.00 0.00 0.00 0.00 0.00 56.01 57.07 1u22 n LEU 255 Cb 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.30 1u22 n LEU 255 CO 0.13 -0.47 0.04 0.35 0.00 0.00 0.00 177.39 177.44 1u22 n THR 256 N -2.01 0.00 -1.89 1.96 -2.24 -0.78 -0.52 114.28 108.80 1u22 n THR 256 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1u22 n THR 256 Cb 0.00 -0.59 0.02 0.00 -2.10 0.00 0.00 70.33 67.66 1u22 n THR 256 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1u22 n SER 257 N -0.55 0.28 -4.82 3.42 3.41 -1.11 -4.72 113.62 109.53 1u22 n SER 257 Ca 0.00 -2.13 -0.33 0.00 -0.26 0.00 0.00 58.87 56.15 1u22 n SER 257 Cb 0.00 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1u22 n SER 257 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u22 s LEU 258 N -0.35 3.73 0.34 1.04 1.43 0.32 -5.01 118.68 120.19 1u22 s LEU 258 Ca 0.04 1.74 -0.25 0.00 -1.03 0.00 0.00 54.13 54.63 1u22 s LEU 258 Cb 0.03 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.62 1u22 s LEU 258 CO 0.00 -0.69 0.94 -0.54 0.23 0.00 0.00 176.35 176.29 1u22 s LYS 259 N -3.64 4.49 0.00 1.70 -0.14 -1.26 -3.86 119.74 117.02 1u22 s LYS 259 Ca 0.63 1.26 0.00 0.00 -1.36 0.00 0.00 55.97 56.50 1u22 s LYS 259 Cb -0.12 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 1u22 s LYS 259 CO 0.25 0.21 0.00 0.41 -0.76 0.00 0.00 175.35 175.46 1u22 n GLY 260 N 0.28 1.54 3.71 -3.33 0.00 -1.26 -4.67 105.19 101.45 1u22 n GLY 260 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1u22 n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u22 s VAL 261 N -0.42 3.48 -0.10 1.61 1.01 -1.25 -4.10 120.40 120.63 1u22 s VAL 261 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.04 1u22 s VAL 261 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1u22 s VAL 261 CO 0.00 0.06 0.11 0.35 0.00 0.00 0.00 175.10 175.62 1u22 n THR 262 N 4.11 0.00 -4.18 3.92 -2.24 -0.23 -4.92 114.28 110.74 1u22 n THR 262 Ca 0.12 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 1u22 n THR 262 Cb 0.43 0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 1u22 n THR 262 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u22 s ALA 263 N -1.50 1.05 -0.03 6.98 0.00 -0.32 -1.20 121.76 126.74 1u22 s ALA 263 Ca 0.01 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 1u22 s ALA 263 Cb 0.02 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1u22 s ALA 263 CO 0.12 -0.20 0.04 -0.06 0.00 0.00 0.00 175.76 175.66 1u22 s PHE 264 N -3.49 0.10 -0.31 0.00 0.08 -0.91 -2.46 117.98 111.00 1u22 s PHE 264 Ca 0.12 0.17 -0.15 0.00 0.12 0.00 0.00 56.93 57.20 1u22 s PHE 264 Cb 0.04 -0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 42.05 1u22 s PHE 264 CO -0.04 -0.16 0.36 0.20 -0.10 0.00 0.00 175.22 175.48 1u22 s GLY 265 N 1.72 1.89 -0.08 4.36 0.00 0.67 -1.72 107.32 114.16 1u22 s GLY 265 Ca -0.01 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.71 1u22 s GLY 265 CO -0.03 0.97 -0.13 -1.36 0.00 0.00 0.00 173.10 172.54 1u22 s PHE 266 N 2.03 2.75 -0.64 1.90 0.08 -1.00 -2.05 117.98 121.05 1u22 s PHE 266 Ca 0.13 -0.31 -0.25 0.00 0.12 0.00 0.00 56.93 56.62 1u22 s PHE 266 Cb -0.16 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.63 1u22 s PHE 266 CO 0.11 0.06 1.05 0.34 -0.10 0.00 0.00 175.22 176.68 1u22 s ASP 267 N -0.36 6.24 -0.29 1.36 -1.08 -1.23 -1.36 116.67 119.95 1u22 s ASP 267 Ca 0.04 -0.57 0.12 0.00 -0.52 0.00 0.00 52.55 51.62 1u22 s ASP 267 Cb -0.12 -2.47 0.79 0.00 -1.46 0.00 0.00 42.92 39.66 1u22 s ASP 267 CO 0.02 -1.48 1.79 0.18 0.52 0.00 0.00 175.17 176.21 1u22 n LEU 268 N 8.11 5.99 -0.08 -1.34 4.77 -0.29 -1.18 117.00 132.98 1u22 n LEU 268 Ca 0.01 -3.08 -0.15 0.00 -0.03 0.00 0.00 56.01 52.75 1u22 n LEU 268 Cb 0.47 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1u22 n LEU 268 CO 0.66 0.72 -0.92 0.52 -1.33 0.00 0.00 177.39 177.05 1u22 n VAL 269 N 0.23 1.15 0.67 4.08 0.31 -1.23 -4.33 118.33 119.21 1u22 n VAL 269 Ca 0.35 -0.10 0.11 0.00 -0.01 0.00 0.00 64.34 64.69 1u22 n VAL 269 Cb 1.31 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 1u22 n VAL 269 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1u22 n ARG 270 N -3.93 0.22 -2.56 5.55 1.74 -1.26 -4.47 116.66 111.94 1u22 n ARG 270 Ca -0.28 -0.03 -0.20 0.00 -0.77 0.00 0.00 57.85 56.57 1u22 n ARG 270 Cb 0.62 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.53 1u22 n ARG 270 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u22 n GLY 271 N 1.41 4.31 0.25 -0.13 0.00 -0.33 -3.86 105.19 106.85 1u22 n GLY 271 Ca 0.02 -2.21 0.17 0.00 0.00 0.00 0.00 46.02 44.00 1u22 n GLY 271 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1u22 h THR 272 N 2.73 0.00 0.00 2.61 1.35 -1.76 -2.46 112.91 115.38 1u22 h THR 272 Ca 0.15 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1u22 h THR 272 Cb 1.01 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1u22 h THR 272 CO 0.72 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 177.16 1u22 n LYS 273 N -2.93 0.00 0.12 4.72 4.81 -1.26 -0.01 118.16 123.61 1u22 n LYS 273 Ca 0.01 0.37 0.01 0.00 -0.87 0.00 0.00 58.31 57.83 1u22 n LYS 273 Cb 0.28 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.82 1u22 n LYS 273 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1u22 h THR 274 N 0.00 0.90 -1.03 3.15 2.02 -1.75 -3.27 112.91 112.92 1u22 h THR 274 Ca 0.00 -2.31 0.27 0.00 0.77 0.00 0.00 66.41 65.14 1u22 h THR 274 Cb 0.13 2.42 -0.12 0.00 -1.74 0.00 0.00 68.15 68.83 1u22 h THR 274 CO 0.00 0.51 0.63 -0.07 0.37 0.00 0.00 175.52 176.96 1u22 h LEU 275 N 0.00 0.57 0.82 2.58 3.38 -0.62 -1.21 115.31 120.83 1u22 h LEU 275 Ca -0.02 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1u22 h LEU 275 Cb 1.45 0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.25 1u22 h LEU 275 CO 0.07 0.05 -0.39 0.44 0.09 0.00 0.00 178.44 178.70 1u22 h ASP 276 N 0.47 -0.93 -0.96 -0.43 3.32 -1.73 0.24 116.42 116.40 1u22 h ASP 276 Ca 0.65 0.03 0.30 0.00 0.02 0.00 0.00 57.03 58.04 1u22 h ASP 276 Cb 1.43 0.24 -0.15 0.00 0.22 0.00 0.00 39.33 41.07 1u22 h ASP 276 CO -0.44 -0.63 0.41 -0.07 -1.72 0.00 0.00 179.24 176.79 1u22 h LEU 277 N -1.18 0.24 -0.03 1.55 3.38 -1.42 0.35 115.31 118.21 1u22 h LEU 277 Ca -0.11 0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1u22 h LEU 277 Cb 0.85 0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1u22 h LEU 277 CO 0.19 -0.20 -0.52 0.58 0.09 0.00 0.00 178.44 178.58 1u22 h VAL 278 N 0.22 1.42 -0.86 1.22 2.07 -1.24 -2.81 116.25 116.28 1u22 h VAL 278 Ca 0.68 -1.98 0.16 0.00 0.82 0.00 0.00 66.70 66.38 1u22 h VAL 278 Cb 1.52 2.50 -0.07 0.00 -1.52 0.00 0.00 31.29 33.72 1u22 h VAL 278 CO -0.67 0.57 0.56 0.11 0.02 0.00 0.00 177.57 178.17 1u22 h LYS 279 N -0.10 0.53 -0.42 1.57 1.57 0.23 0.27 116.57 120.22 1u22 h LYS 279 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1u22 h LYS 279 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1u22 h LYS 279 CO 0.10 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.34 1u22 n ALA 280 N -2.47 2.44 0.00 3.86 0.00 0.95 -4.93 120.51 120.36 1u22 n ALA 280 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1u22 n ALA 280 Cb 0.55 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1u22 n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u22 n GLY 281 N 1.22 3.22 3.14 0.00 0.00 0.08 -5.04 105.19 107.81 1u22 n GLY 281 Ca 0.15 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1u22 n GLY 281 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u22 s PHE 282 N 0.00 -0.03 1.24 1.61 5.36 -1.25 -4.20 117.98 120.70 1u22 s PHE 282 Ca 0.00 0.02 -0.17 0.00 -0.96 0.00 0.00 56.93 55.82 1u22 s PHE 282 Cb 0.00 -0.00 0.27 0.00 -0.34 0.00 0.00 43.02 42.95 1u22 s PHE 282 CO 0.00 -0.30 0.68 -2.30 -1.46 0.00 0.00 175.22 171.84 1u22 n PRO 283 N 1.51 -2.97 0.00 10.12 -0.02 -1.26 -4.99 135.00 137.38 1u22 n PRO 283 Ca -0.22 -0.86 0.00 0.00 -2.02 0.00 0.00 63.50 60.40 1u22 n PRO 283 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1u22 n PRO 283 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1u22 n GLU 284 N -4.27 0.00 -1.21 -0.52 0.28 -1.26 -4.46 120.64 109.21 1u22 n GLU 284 Ca 0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.81 1u22 n GLU 284 Cb 0.56 -0.44 0.01 0.00 1.43 0.00 0.00 31.44 33.00 1u22 n GLU 284 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1u22 n GLY 285 N 1.84 4.48 3.72 -1.84 0.00 -1.26 -4.91 105.19 107.22 1u22 n GLY 285 Ca 0.00 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1u22 n GLY 285 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u22 s LYS 286 N -2.13 3.02 0.61 1.61 -0.14 -1.26 -4.99 119.74 116.46 1u22 s LYS 286 Ca 0.46 -0.41 -0.14 0.00 -1.36 0.00 0.00 55.97 54.53 1u22 s LYS 286 Cb 0.34 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.62 1u22 s LYS 286 CO -0.10 0.70 1.04 0.71 -0.76 0.00 0.00 175.35 176.93 1u22 s TYR 287 N -0.97 3.24 -0.23 3.18 1.51 -0.34 -4.91 117.35 118.84 1u22 s TYR 287 Ca 0.16 1.44 -0.02 0.00 -1.01 0.00 0.00 57.07 57.63 1u22 s TYR 287 Cb -0.12 -2.87 0.07 0.00 -0.11 0.00 0.00 41.96 38.93 1u22 s TYR 287 CO 0.05 -0.92 0.02 -1.17 -1.11 0.00 0.00 175.55 172.43 1u22 s LEU 288 N -4.85 1.72 -0.47 -1.29 0.20 0.26 -2.13 118.68 112.12 1u22 s LEU 288 Ca 0.59 -1.06 -0.25 0.00 0.69 0.00 0.00 54.13 54.11 1u22 s LEU 288 Cb -0.13 -0.79 0.03 0.00 -0.43 0.00 0.00 46.19 44.87 1u22 s LEU 288 CO 0.44 -0.31 0.89 -0.36 -0.29 0.00 0.00 176.35 176.72 1u22 s PHE 289 N 1.70 2.93 -0.57 5.38 0.40 -0.70 -1.08 117.98 126.03 1u22 s PHE 289 Ca -0.00 0.29 -0.27 0.00 -0.60 0.00 0.00 56.93 56.34 1u22 s PHE 289 Cb -0.18 -3.89 0.03 0.00 0.51 0.00 0.00 43.02 39.49 1u22 s PHE 289 CO -0.11 -1.09 1.14 0.00 0.70 0.00 0.00 175.22 175.87 1u22 s ALA 290 N 3.64 3.03 -1.20 5.36 0.00 0.39 -2.37 121.76 130.61 1u22 s ALA 290 Ca 0.34 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 1u22 s ALA 290 Cb -0.11 -3.98 0.13 0.00 0.00 0.00 0.00 23.12 19.17 1u22 s ALA 290 CO 0.25 -2.61 1.50 0.20 0.00 0.00 0.00 175.76 175.10 1u22 s GLY 291 N 2.93 2.09 -0.01 0.00 0.00 -0.47 0.13 107.32 112.00 1u22 s GLY 291 Ca 0.41 -3.13 0.21 0.00 0.00 0.00 0.00 44.72 42.20 1u22 s GLY 291 CO 0.24 2.27 0.75 3.33 0.00 0.00 0.00 173.10 179.69 1u22 n VAL 292 N 5.31 0.00 -3.23 1.40 0.24 -0.74 -1.14 118.33 120.17 1u22 n VAL 292 Ca 0.39 -0.17 -0.46 0.00 -2.04 0.00 0.00 64.34 62.06 1u22 n VAL 292 Cb 0.45 0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 1u22 n VAL 292 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u22 s VAL 293 N -3.14 5.11 -0.80 3.34 1.01 -1.18 -4.86 120.40 119.88 1u22 s VAL 293 Ca 0.03 -1.46 -0.31 0.00 0.00 0.00 0.00 61.98 60.24 1u22 s VAL 293 Cb 0.15 -4.43 -0.17 0.00 0.00 0.00 0.00 36.38 31.93 1u22 s VAL 293 CO 0.87 -1.01 2.56 -0.67 0.00 0.00 0.00 175.10 176.85 1u22 n ASP 294 N 5.51 0.97 -1.02 3.32 -0.08 -1.26 -1.58 116.55 122.40 1u22 n ASP 294 Ca -0.07 0.04 0.07 0.00 -1.51 0.00 0.00 54.79 53.32 1u22 n ASP 294 Cb 0.42 -1.12 0.22 0.00 2.34 0.00 0.00 41.12 42.99 1u22 n ASP 294 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u22 n GLY 295 N 6.43 1.57 0.00 0.27 0.00 -1.26 -3.93 105.19 108.28 1u22 n GLY 295 Ca 0.56 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1u22 n GLY 295 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1u22 n ARG 296 N 0.72 0.88 0.00 1.61 0.63 -1.26 -3.27 116.66 115.97 1u22 n ARG 296 Ca 0.16 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1u22 n ARG 296 Cb 0.53 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.21 1u22 n ARG 296 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1u22 n ASN 297 N -1.79 0.00 0.00 6.15 2.85 -1.25 -4.66 115.26 116.56 1u22 n ASN 297 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1u22 n ASN 297 Cb 0.28 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.30 1u22 n ASN 297 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u22 n ILE 298 N 0.00 0.00 -3.50 -1.44 0.13 -1.26 -4.62 119.36 108.67 1u22 n ILE 298 Ca 0.00 0.00 -0.26 0.00 -1.10 0.00 0.00 62.75 61.39 1u22 n ILE 298 Cb 0.00 0.78 -0.02 0.00 -0.84 0.00 0.00 39.64 39.55 1u22 n ILE 298 CO 0.00 0.00 0.00 0.26 2.80 0.00 0.00 176.55 179.61 1u22 s TRP 299 N 0.00 3.49 0.99 9.51 0.52 -1.26 -0.75 118.94 131.44 1u22 s TRP 299 Ca 0.00 0.42 -0.11 0.00 0.02 0.00 0.00 56.10 56.42 1u22 s TRP 299 Cb 0.00 -1.93 0.19 0.00 -1.15 0.00 0.00 33.47 30.58 1u22 s TRP 299 CO 0.00 0.24 1.09 0.00 0.02 0.00 0.00 176.95 178.30 1u22 s ALA 300 N -2.07 0.82 0.17 0.98 0.00 -0.95 -4.26 121.76 116.44 1u22 s ALA 300 Ca 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 1u22 s ALA 300 Cb -0.10 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1u22 s ALA 300 CO 0.31 -3.00 0.37 1.21 0.00 0.00 0.00 175.76 174.65 1u22 s ASN 301 N -2.87 6.40 -1.42 0.00 3.84 -1.26 -4.96 114.94 114.67 1u22 s ASN 301 Ca 0.66 0.42 -0.11 0.00 0.21 0.00 0.00 52.86 54.04 1u22 s ASN 301 Cb -0.22 -2.02 0.06 0.00 -0.55 0.00 0.00 41.25 38.53 1u22 s ASN 301 CO 0.60 0.00 2.25 -0.67 -2.79 0.00 0.00 177.10 176.49 1u22 n ASP 302 N -0.40 5.24 -0.16 -4.21 -0.08 -1.26 -4.81 116.55 110.86 1u22 n ASP 302 Ca -0.04 -2.90 0.02 0.00 -1.51 0.00 0.00 54.79 50.36 1u22 n ASP 302 Cb 0.53 -1.57 0.05 0.00 2.34 0.00 0.00 41.12 42.47 1u22 n ASP 302 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1u22 n PHE 303 N 4.77 0.13 0.21 -0.67 3.01 -1.26 0.66 117.46 124.31 1u22 n PHE 303 Ca 0.53 0.54 -0.16 0.00 1.01 0.00 0.00 57.45 59.37 1u22 n PHE 303 Cb 0.35 -0.73 -0.09 0.00 -0.01 0.00 0.00 39.48 39.00 1u22 n PHE 303 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u22 h ALA 304 N 0.82 -1.06 -0.57 4.37 0.00 -1.97 -1.71 119.26 119.15 1u22 h ALA 304 Ca 0.20 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1u22 h ALA 304 Cb 0.31 0.74 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 1u22 h ALA 304 CO -0.45 -1.12 -0.25 0.00 0.00 0.00 0.00 179.25 177.43 1u22 h ALA 305 N -0.89 0.14 -0.44 0.00 0.00 -0.18 -0.55 119.26 117.34 1u22 h ALA 305 Ca -0.04 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1u22 h ALA 305 Cb 0.75 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 1u22 h ALA 305 CO -0.12 -0.57 -0.29 0.77 0.00 0.00 0.00 179.25 179.04 1u22 h SER 306 N -0.11 -0.99 -0.80 0.00 0.02 -1.03 -0.34 113.55 110.30 1u22 h SER 306 Ca 0.25 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.48 1u22 h SER 306 Cb 0.51 0.49 -0.07 0.00 0.14 0.00 0.00 62.40 63.46 1u22 h SER 306 CO -0.63 -0.30 0.45 -0.07 -1.14 0.00 0.00 176.83 175.14 1u22 h LEU 307 N -0.20 0.64 0.46 5.07 3.38 -0.18 0.81 115.31 125.28 1u22 h LEU 307 Ca 0.20 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1u22 h LEU 307 Cb 0.52 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1u22 h LEU 307 CO -0.56 0.37 -0.42 0.28 0.09 0.00 0.00 178.44 178.20 1u22 h SER 308 N 0.76 -1.13 0.10 -0.43 0.02 -0.47 0.81 113.55 113.21 1u22 h SER 308 Ca 0.38 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.45 1u22 h SER 308 Cb 0.34 0.37 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1u22 h SER 308 CO -0.24 -0.59 -0.37 0.74 -1.14 0.00 0.00 176.83 175.23 1u22 h THR 309 N -0.88 0.23 -0.72 -2.27 2.02 -0.38 -1.64 112.91 109.27 1u22 h THR 309 Ca -0.05 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1u22 h THR 309 Cb 0.77 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1u22 h THR 309 CO -0.04 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.25 1u22 h LEU 310 N -0.59 0.68 0.38 2.58 3.38 0.86 -1.52 115.31 121.09 1u22 h LEU 310 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1u22 h LEU 310 Cb 0.63 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1u22 h LEU 310 CO -0.23 0.45 -0.18 -0.61 0.09 0.00 0.00 178.44 177.95 1u22 h GLN 311 N 0.78 -0.49 -0.83 1.13 5.75 0.11 0.44 115.11 122.00 1u22 h GLN 311 Ca 0.31 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.91 1u22 h GLN 311 Cb 0.21 0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 1u22 h GLN 311 CO -0.10 -0.20 0.54 0.00 -2.65 0.00 0.00 178.83 176.43 1u22 h ALA 312 N -0.26 1.61 -0.11 3.38 0.00 -1.11 0.53 119.26 123.29 1u22 h ALA 312 Ca -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u22 h ALA 312 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u22 h ALA 312 CO 0.08 0.25 0.05 -0.07 0.00 0.00 0.00 179.25 179.57 1u22 h LEU 313 N 0.89 0.07 -2.01 0.00 3.38 -1.07 1.01 115.31 117.58 1u22 h LEU 313 Ca 0.37 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.48 1u22 h LEU 313 Cb 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1u22 h LEU 313 CO -0.14 0.06 0.42 -0.33 0.09 0.00 0.00 178.44 178.55 1u22 h GLU 314 N 0.12 0.00 0.80 1.13 5.08 0.43 -0.38 114.58 121.75 1u22 h GLU 314 Ca 0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1u22 h GLU 314 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1u22 h GLU 314 CO -0.04 0.00 -0.38 0.78 -1.00 0.00 0.00 179.01 178.37 1u22 h GLY 315 N 0.00 -1.12 -0.42 -3.84 0.00 0.55 -2.27 103.07 95.97 1u22 h GLY 315 Ca 0.23 0.41 0.20 0.00 0.00 0.00 0.00 47.33 48.17 1u22 h GLY 315 CO -0.00 -0.41 0.09 -2.22 0.00 0.00 0.00 176.54 174.01 1u22 h ILE 316 N -1.15 0.31 0.00 2.60 1.08 0.04 -3.42 117.51 116.96 1u22 h ILE 316 Ca -0.11 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1u22 h ILE 316 Cb 0.82 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1u22 h ILE 316 CO 0.18 0.03 0.00 0.52 -0.69 0.00 0.00 178.15 178.19 1u22 n VAL 317 N -5.31 0.00 -0.28 1.67 0.31 -0.86 -4.98 118.33 108.88 1u22 n VAL 317 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1u22 n VAL 317 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1u22 n VAL 317 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u22 n GLY 318 N 1.56 1.97 1.69 2.92 0.00 -0.86 -4.78 105.19 107.69 1u22 n GLY 318 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u22 n GLY 318 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u22 n LYS 319 N -2.00 0.72 -1.02 1.61 5.02 -1.26 -4.40 118.16 116.83 1u22 n LYS 319 Ca 0.00 -0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.25 1u22 n LYS 319 Cb 0.00 -1.19 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1u22 n LYS 319 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1u22 n ASP 320 N 1.71 -3.08 -0.61 4.39 10.43 -1.26 -4.91 116.55 123.22 1u22 n ASP 320 Ca 0.01 0.01 0.07 0.00 2.57 0.00 0.00 54.79 57.46 1u22 n ASP 320 Cb 0.35 -0.63 0.09 0.00 1.84 0.00 0.00 41.12 42.77 1u22 n ASP 320 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1u22 n LYS 321 N -2.97 1.32 -3.64 -1.24 4.76 -1.26 -4.93 118.16 110.20 1u22 n LYS 321 Ca -0.01 -1.51 -0.38 0.00 -2.87 0.00 0.00 58.31 53.55 1u22 n LYS 321 Cb 0.02 -1.28 -0.11 0.00 -1.84 0.00 0.00 35.03 31.81 1u22 n LYS 321 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1u22 s LEU 322 N -1.13 3.98 -0.07 -0.35 1.98 -1.26 -0.57 118.68 121.25 1u22 s LEU 322 Ca 0.19 -0.25 0.04 0.00 -2.89 0.00 0.00 54.13 51.22 1u22 s LEU 322 Cb 0.12 -2.04 -0.02 0.00 0.66 0.00 0.00 46.19 44.91 1u22 s LEU 322 CO 0.18 -0.11 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.64 1u22 s VAL 323 N 1.68 2.51 0.18 1.68 1.01 -0.24 -4.37 120.40 122.85 1u22 s VAL 323 Ca 0.06 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1u22 s VAL 323 Cb -0.16 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 1u22 s VAL 323 CO 0.08 0.57 0.83 -0.69 0.00 0.00 0.00 175.10 175.88 1u22 s VAL 324 N -0.21 4.30 0.21 2.92 1.01 -1.00 0.15 120.40 127.77 1u22 s VAL 324 Ca -0.01 1.82 -0.15 0.00 0.00 0.00 0.00 61.98 63.64 1u22 s VAL 324 Cb -0.13 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1u22 s VAL 324 CO 0.03 0.51 0.49 -0.55 0.00 0.00 0.00 175.10 175.58 1u22 s SER 325 N -1.09 -0.18 0.54 3.32 0.15 0.12 -1.39 113.70 115.18 1u22 s SER 325 Ca 0.38 -0.63 -0.19 0.00 0.70 0.00 0.00 55.95 56.21 1u22 s SER 325 Cb -0.24 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.58 1u22 s SER 325 CO 0.28 -1.06 1.08 0.42 1.20 0.00 0.00 173.24 175.15 1u22 s THR 326 N -3.92 3.56 0.45 6.45 -4.23 -1.15 -1.80 115.64 115.01 1u22 s THR 326 Ca 0.13 0.90 0.15 0.00 -1.18 0.00 0.00 61.69 61.68 1u22 s THR 326 Cb -0.01 -3.36 0.19 0.00 1.34 0.00 0.00 72.50 70.67 1u22 s THR 326 CO 0.00 -0.28 2.00 0.77 -0.54 0.00 0.00 174.62 176.58 1u22 h SER 327 N 1.08 0.00 -1.66 3.99 4.64 -1.42 -3.40 113.55 116.78 1u22 h SER 327 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1u22 h SER 327 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1u22 h SER 327 CO 0.58 0.17 0.13 0.00 -0.87 0.00 0.00 176.83 176.83 1u22 s SER 329 N -1.81 6.58 0.00 0.00 0.15 -1.26 -4.53 113.70 112.82 1u22 s SER 329 Ca 0.07 2.74 0.13 0.00 0.70 0.00 0.00 55.95 59.59 1u22 s SER 329 Cb -0.02 -2.63 0.70 0.00 -1.71 0.00 0.00 66.02 62.37 1u22 s SER 329 CO 0.04 -0.76 1.26 0.18 1.20 0.00 0.00 173.24 175.16 1u22 n LEU 330 N 2.29 0.00 0.26 3.45 4.77 -0.54 -2.26 117.00 124.97 1u22 n LEU 330 Ca 0.07 0.14 0.17 0.00 -0.03 0.00 0.00 56.01 56.36 1u22 n LEU 330 Cb 0.39 -0.14 0.89 0.00 -2.33 0.00 0.00 43.42 42.23 1u22 n LEU 330 CO 0.61 -0.08 1.14 0.25 -1.33 0.00 0.00 177.39 177.98 1u22 h LEU 331 N 0.00 0.00 -2.15 2.23 7.12 -1.79 -1.46 115.31 119.26 1u22 h LEU 331 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1u22 h LEU 331 Cb 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1u22 h LEU 331 CO 0.00 0.00 0.00 1.41 -0.13 0.00 0.00 178.44 179.72 1u22 n HIS 332 N -3.73 0.83 -4.55 1.25 8.25 -0.96 -4.39 115.22 111.93 1u22 n HIS 332 Ca -0.01 -0.39 -0.27 0.00 -0.26 0.00 0.00 57.72 56.79 1u22 n HIS 332 Cb 0.22 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 1u22 n HIS 332 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1u22 s THR 333 N -1.36 0.57 0.51 1.59 -1.32 -0.55 -4.62 115.64 110.46 1u22 s THR 333 Ca 0.38 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 1u22 s THR 333 Cb 0.21 -2.27 0.02 0.00 -1.51 0.00 0.00 72.50 68.94 1u22 s THR 333 CO 0.24 0.00 0.74 0.00 -2.21 0.00 0.00 174.62 173.39 1u22 s ALA 334 N -3.15 3.78 0.00 11.08 0.00 -1.26 -4.72 121.76 127.50 1u22 s ALA 334 Ca 0.20 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1u22 s ALA 334 Cb 0.01 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1u22 s ALA 334 CO 0.14 -0.59 0.07 0.28 0.00 0.00 0.00 175.76 175.67 1u22 n VAL 335 N -2.24 0.00 -3.85 0.00 0.31 -1.26 0.16 118.33 111.45 1u22 n VAL 335 Ca 0.05 0.34 -0.36 0.00 -0.01 0.00 0.00 64.34 64.36 1u22 n VAL 335 Cb 0.59 -0.88 -0.13 0.00 -0.91 0.00 0.00 33.84 32.50 1u22 n VAL 335 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1u22 s ASP 336 N -1.54 4.67 0.00 4.52 1.01 -1.26 -0.64 116.67 123.43 1u22 s ASP 336 Ca 0.00 -0.58 0.25 0.00 0.71 0.00 0.00 52.55 52.93 1u22 s ASP 336 Cb 0.00 -1.79 1.36 0.00 1.01 0.00 0.00 42.92 43.50 1u22 s ASP 336 CO 0.00 -0.10 1.86 -0.11 0.21 0.00 0.00 175.17 177.03 1u22 n LEU 337 N 4.81 0.00 -1.97 1.23 7.94 -1.26 -2.76 117.00 124.98 1u22 n LEU 337 Ca -0.16 0.19 -0.21 0.00 -1.11 0.00 0.00 56.01 54.72 1u22 n LEU 337 Cb 0.49 -0.19 0.06 0.00 0.53 0.00 0.00 43.42 44.31 1u22 n LEU 337 CO 0.29 -0.03 1.23 0.00 -1.11 0.00 0.00 177.39 177.77 1u22 n ILE 338 N -1.19 2.91 -1.26 1.96 0.13 -1.26 -2.39 119.36 118.25 1u22 n ILE 338 Ca 0.14 -1.87 0.00 0.00 -1.10 0.00 0.00 62.75 59.92 1u22 n ILE 338 Cb 0.16 -1.17 0.00 0.00 -0.84 0.00 0.00 39.64 37.79 1u22 n ILE 338 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1u22 n ASN 339 N -0.12 0.00 -4.27 9.51 4.13 -1.11 -4.99 115.26 118.42 1u22 n ASN 339 Ca 0.39 -1.03 -0.44 0.00 1.68 0.00 0.00 54.58 55.18 1u22 n ASN 339 Cb 0.72 -0.01 -0.05 0.00 -1.54 0.00 0.00 39.78 38.91 1u22 n ASN 339 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1u22 s GLU 340 N 0.00 3.11 -0.16 3.52 0.41 -1.01 -4.02 118.70 120.55 1u22 s GLU 340 Ca 0.00 -2.16 -0.15 0.00 -0.41 0.00 0.00 54.97 52.26 1u22 s GLU 340 Cb 0.00 -4.21 -0.05 0.00 -1.78 0.00 0.00 34.13 28.09 1u22 s GLU 340 CO 0.00 -1.27 -0.28 0.25 -0.49 0.00 0.00 175.26 173.47 1u22 n THR 341 N 4.40 1.44 -0.34 3.63 -2.24 -1.26 -4.54 114.28 115.36 1u22 n THR 341 Ca 0.02 0.17 0.25 0.00 -2.27 0.00 0.00 64.05 62.22 1u22 n THR 341 Cb 0.43 -2.35 0.52 0.00 -2.10 0.00 0.00 70.33 66.83 1u22 n THR 341 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1u22 h LYS 342 N -0.98 0.34 -6.63 -0.78 1.79 -1.95 -3.40 116.57 104.96 1u22 h LYS 342 Ca 0.00 -0.02 -0.52 0.00 -2.18 0.00 0.00 60.65 57.93 1u22 h LYS 342 Cb 0.81 -0.08 0.05 0.00 -1.58 0.00 0.00 32.23 31.43 1u22 h LYS 342 CO 0.00 0.22 0.89 -0.51 -1.08 0.00 0.00 179.45 178.97 1u22 s LEU 343 N -9.70 4.37 1.29 2.94 1.43 -1.26 -4.97 118.68 112.78 1u22 s LEU 343 Ca -0.09 2.66 -0.18 0.00 -1.03 0.00 0.00 54.13 55.50 1u22 s LEU 343 Cb 0.26 -3.60 0.30 0.00 0.03 0.00 0.00 46.19 43.19 1u22 s LEU 343 CO 0.80 -0.84 0.80 -0.90 0.23 0.00 0.00 176.35 176.44 1u22 n ASP 344 N 3.79 -2.89 0.00 2.29 5.75 -1.26 -4.84 116.55 119.38 1u22 n ASP 344 Ca 0.13 -0.46 0.00 0.00 -0.01 0.00 0.00 54.79 54.45 1u22 n ASP 344 Cb 0.38 -1.09 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1u22 n ASP 344 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1u22 n ASP 345 N -4.69 0.00 -0.06 -1.12 9.92 -1.26 -3.22 116.55 116.12 1u22 n ASP 345 Ca 0.06 0.08 0.01 0.00 -0.53 0.00 0.00 54.79 54.42 1u22 n ASP 345 Cb 0.56 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.06 1u22 n ASP 345 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1u22 n GLU 346 N -0.11 -0.01 0.38 -1.24 2.13 -1.26 0.62 120.64 121.15 1u22 n GLU 346 Ca 0.00 0.24 -0.18 0.00 0.66 0.00 0.00 57.16 57.88 1u22 n GLU 346 Cb 0.00 -0.36 -0.09 0.00 0.27 0.00 0.00 31.44 31.26 1u22 n GLU 346 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1u22 h ILE 347 N 0.00 0.31 -0.59 6.31 1.08 -1.96 -2.26 117.51 120.40 1u22 h ILE 347 Ca 0.07 -0.04 0.12 0.00 -0.39 0.00 0.00 64.86 64.63 1u22 h ILE 347 Cb 0.11 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.15 1u22 h ILE 347 CO -0.16 0.00 0.41 0.11 -0.69 0.00 0.00 178.15 177.82 1u22 h LYS 348 N -0.96 0.26 -0.21 2.37 1.57 0.22 1.00 116.57 120.82 1u22 h LYS 348 Ca -0.10 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1u22 h LYS 348 Cb 0.72 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1u22 h LYS 348 CO 0.16 0.17 0.35 0.66 -0.57 0.00 0.00 179.45 180.22 1u22 h SER 349 N 0.27 0.00 -0.80 0.86 4.64 -0.71 -3.42 113.55 114.39 1u22 h SER 349 Ca 0.28 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.13 1u22 h SER 349 Cb 0.75 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.60 1u22 h SER 349 CO -0.06 0.00 0.61 0.79 -0.87 0.00 0.00 176.83 177.29 1u22 n TRP 350 N -3.42 2.52 0.00 4.77 8.01 0.35 -4.86 117.44 124.81 1u22 n TRP 350 Ca 0.03 -2.05 0.00 0.00 -1.31 0.00 0.00 57.50 54.17 1u22 n TRP 350 Cb 0.47 -1.01 0.00 0.00 -2.01 0.00 0.00 31.31 28.75 1u22 n TRP 350 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1u22 n ALA 352 N -0.65 0.00 -1.64 6.99 0.00 0.07 -2.24 120.51 123.05 1u22 n ALA 352 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1u22 n ALA 352 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.53 1u22 n ALA 352 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1u22 n PHE 353 N 0.00 -2.17 0.00 0.00 3.01 -1.26 -4.26 117.46 112.78 1u22 n PHE 353 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1u22 n PHE 353 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1u22 n PHE 353 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u22 n ALA 354 N -3.00 -0.29 -0.32 4.37 0.00 0.42 -0.61 120.51 121.09 1u22 n ALA 354 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 1u22 n ALA 354 Cb 0.00 0.15 0.54 0.00 0.00 0.00 0.00 19.45 20.14 1u22 n ALA 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u22 n ALA 355 N -2.10 0.94 -0.08 0.00 0.00 0.19 0.23 120.51 119.70 1u22 n ALA 355 Ca 0.00 1.02 -0.08 0.00 0.00 0.00 0.00 53.44 54.39 1u22 n ALA 355 Cb 0.00 -0.98 0.09 0.00 0.00 0.00 0.00 19.45 18.56 1u22 n ALA 355 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u22 h GLN 356 N 0.00 0.75 -0.16 0.00 7.50 -1.67 -2.98 115.11 118.54 1u22 h GLN 356 Ca 0.81 -0.31 -0.13 0.00 0.50 0.00 0.00 58.65 59.52 1u22 h GLN 356 Cb 2.08 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 29.56 1u22 h GLN 356 CO -0.79 0.92 -0.45 0.87 -1.50 0.00 0.00 178.83 177.88 1u22 h LYS 357 N 0.65 0.40 -0.57 1.46 1.57 0.54 -2.47 116.57 118.15 1u22 h LYS 357 Ca 0.09 -0.21 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1u22 h LYS 357 Cb 0.76 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 1u22 h LYS 357 CO 0.06 0.77 0.25 0.28 -0.57 0.00 0.00 179.45 180.24 1u22 h VAL 358 N 0.33 0.86 -0.37 0.50 2.07 -0.58 -2.23 116.25 116.83 1u22 h VAL 358 Ca 0.02 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1u22 h VAL 358 Cb 0.92 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1u22 h VAL 358 CO 0.08 0.08 -0.04 0.58 0.02 0.00 0.00 177.57 178.30 1u22 h VAL 359 N 0.46 1.27 -0.16 2.57 2.07 -1.43 -3.17 116.25 117.87 1u22 h VAL 359 Ca 0.27 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1u22 h VAL 359 Cb 0.27 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1u22 h VAL 359 CO -0.24 0.35 -0.27 -0.33 0.02 0.00 0.00 177.57 177.10 1u22 h GLU 360 N 0.48 -0.31 -1.41 1.57 5.08 -0.99 0.37 114.58 119.37 1u22 h GLU 360 Ca 0.10 0.02 0.47 0.00 -1.00 0.00 0.00 59.36 58.95 1u22 h GLU 360 Cb 0.52 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.72 1u22 h GLU 360 CO 0.03 -0.21 0.94 0.28 -1.00 0.00 0.00 179.01 179.05 1u22 n VAL 361 N -5.39 -0.18 -0.01 3.13 0.31 -0.88 -0.32 118.33 114.99 1u22 n VAL 361 Ca -0.02 1.61 -0.20 0.00 -0.01 0.00 0.00 64.34 65.72 1u22 n VAL 361 Cb 0.30 -2.65 -0.14 0.00 -0.91 0.00 0.00 33.84 30.45 1u22 n VAL 361 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1u22 h ASN 362 N 0.00 0.27 -0.90 4.52 2.35 -1.05 -1.98 115.58 118.80 1u22 h ASN 362 Ca 0.83 -0.86 0.21 0.00 -0.55 0.00 0.00 56.30 55.93 1u22 h ASN 362 Cb 2.84 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 41.06 1u22 h ASN 362 CO -0.34 1.42 0.60 0.00 -1.65 0.00 0.00 177.43 177.46 1u22 h ALA 363 N -0.07 2.26 0.00 -0.83 0.00 0.07 0.53 119.26 121.22 1u22 h ALA 363 Ca -0.21 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1u22 h ALA 363 Cb 1.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1u22 h ALA 363 CO 0.03 -0.54 -0.62 -0.07 0.00 0.00 0.00 179.25 178.05 1u22 h LEU 364 N 0.37 0.00 0.15 0.00 3.38 -1.34 -2.05 115.31 115.82 1u22 h LEU 364 Ca 0.46 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.13 1u22 h LEU 364 Cb 1.21 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.99 1u22 h LEU 364 CO -0.16 0.57 -1.31 0.00 0.09 0.00 0.00 178.44 177.62 1u22 h ALA 365 N 1.43 -0.03 -0.01 1.53 0.00 0.70 -3.06 119.26 119.83 1u22 h ALA 365 Ca -0.02 -0.81 -0.24 0.00 0.00 0.00 0.00 54.91 53.84 1u22 h ALA 365 Cb 1.44 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1u22 h ALA 365 CO 0.07 0.73 -0.97 0.87 0.00 0.00 0.00 179.25 179.96 1u22 h LYS 366 N 0.21 0.54 0.00 0.00 1.79 -0.72 -2.87 116.57 115.53 1u22 h LYS 366 Ca -0.20 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.70 1u22 h LYS 366 Cb 1.99 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.80 1u22 h LYS 366 CO 0.24 1.20 0.00 0.00 -1.08 0.00 0.00 179.45 179.81 1u22 h ALA 367 N 0.61 1.00 -0.00 3.86 0.00 -1.45 0.70 119.26 123.98 1u22 h ALA 367 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1u22 h ALA 367 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1u22 h ALA 367 CO 0.18 0.00 -0.80 -0.11 0.00 0.00 0.00 179.25 178.52 1u22 n LEU 368 N -2.42 0.97 -0.48 0.00 0.00 -1.14 -3.90 117.00 110.02 1u22 n LEU 368 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 56.01 55.66 1u22 n LEU 368 Cb 0.14 -0.07 0.11 0.00 0.00 0.00 0.00 43.42 43.60 1u22 n LEU 368 CO 0.16 0.23 0.58 0.00 0.00 0.00 0.00 177.39 178.36 1u22 n ALA 369 N -1.33 2.18 -1.61 1.96 0.00 0.92 -4.98 120.51 117.66 1u22 n ALA 369 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1u22 n ALA 369 Cb 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1u22 n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u22 n GLY 370 N 0.32 0.39 0.17 0.00 0.00 0.28 -4.93 105.19 101.42 1u22 n GLY 370 Ca 0.09 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1u22 n GLY 370 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u22 n GLN 371 N -1.74 2.27 -1.06 1.61 1.13 0.21 -4.97 117.38 114.83 1u22 n GLN 371 Ca 0.00 -2.13 -0.15 0.00 -1.94 0.00 0.00 57.00 52.79 1u22 n GLN 371 Cb 0.31 -1.31 -0.15 0.00 0.11 0.00 0.00 30.24 29.20 1u22 n GLN 371 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1u22 n LYS 372 N -0.80 0.00 -1.60 -1.09 4.81 -1.22 -4.59 118.16 113.67 1u22 n LYS 372 Ca 0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.39 1u22 n LYS 372 Cb 0.49 -0.73 -0.11 0.00 0.02 0.00 0.00 35.03 34.70 1u22 n LYS 372 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1u22 s ASP 373 N 0.00 3.49 0.52 3.14 -1.08 -1.26 -4.75 116.67 116.74 1u22 s ASP 373 Ca 0.88 -0.81 0.46 0.00 -0.52 0.00 0.00 52.55 52.56 1u22 s ASP 373 Cb -0.56 -2.59 1.67 0.00 -1.46 0.00 0.00 42.92 39.97 1u22 s ASP 373 CO 0.38 -4.63 1.55 1.21 0.52 0.00 0.00 175.17 174.19 1u22 n GLU 374 N 8.28 -0.01 0.23 4.34 4.07 -1.26 0.63 120.64 136.92 1u22 n GLU 374 Ca 0.42 1.12 0.16 0.00 -0.06 0.00 0.00 57.16 58.80 1u22 n GLU 374 Cb 0.46 -2.48 0.68 0.00 -0.06 0.00 0.00 31.44 30.04 1u22 n GLU 374 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1u22 h ALA 375 N 1.13 1.00 0.06 4.31 0.00 -1.99 -1.27 119.26 122.50 1u22 h ALA 375 Ca 0.92 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.65 1u22 h ALA 375 Cb 3.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 21.32 1u22 h ALA 375 CO -0.12 0.00 -0.93 -0.07 0.00 0.00 0.00 179.25 178.13 1u22 h LEU 376 N 0.00 0.21 -0.74 0.00 3.38 -0.19 -3.12 115.31 114.85 1u22 h LEU 376 Ca 0.00 -0.83 -0.13 0.00 0.09 0.00 0.00 57.88 57.01 1u22 h LEU 376 Cb 0.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1u22 h LEU 376 CO 0.00 1.40 -0.59 -0.26 0.09 0.00 0.00 178.44 179.07 1u22 h PHE 377 N -0.65 0.15 -0.51 1.13 -1.00 -1.61 0.22 116.94 114.66 1u22 h PHE 377 Ca -0.21 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 1u22 h PHE 377 Cb 1.45 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.96 1u22 h PHE 377 CO 0.17 0.68 0.26 0.77 -1.61 0.00 0.00 178.31 178.58 1u22 h SER 378 N 0.09 0.65 0.06 2.17 0.02 -1.37 0.55 113.55 115.71 1u22 h SER 378 Ca -0.01 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1u22 h SER 378 Cb 1.07 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1u22 h SER 378 CO 0.08 0.57 -0.03 0.00 -1.14 0.00 0.00 176.83 176.32 1u22 h ALA 379 N 1.10 -0.07 -0.00 3.77 0.00 -1.45 -2.82 119.26 119.78 1u22 h ALA 379 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u22 h ALA 379 Cb 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u22 h ALA 379 CO -0.03 -0.20 -0.03 -0.97 0.00 0.00 0.00 179.25 178.02 1u22 h ASN 380 N -0.75 -0.10 -1.19 0.00 -0.73 -0.51 0.83 115.58 113.13 1u22 h ASN 380 Ca -0.01 0.01 0.43 0.00 1.87 0.00 0.00 56.30 58.60 1u22 h ASN 380 Cb 0.62 0.04 -0.15 0.00 0.27 0.00 0.00 38.32 39.09 1u22 h ASN 380 CO 0.01 -0.03 0.72 0.00 -0.37 0.00 0.00 177.43 177.76 1u22 h ALA 381 N -1.43 2.48 -0.51 1.57 0.00 -1.02 1.01 119.26 121.36 1u22 h ALA 381 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1u22 h ALA 381 Cb 0.04 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1u22 h ALA 381 CO -0.02 -1.18 -0.08 0.00 0.00 0.00 0.00 179.25 177.96 1u22 h ALA 382 N 1.77 0.70 -0.06 0.00 0.00 -0.84 0.10 119.26 120.93 1u22 h ALA 382 Ca 0.84 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 55.31 1u22 h ALA 382 Cb 2.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 1u22 h ALA 382 CO -0.58 0.58 -0.46 0.00 0.00 0.00 0.00 179.25 178.80 1u22 h ALA 383 N 0.91 1.13 -0.04 0.00 0.00 0.32 -0.49 119.26 121.08 1u22 h ALA 383 Ca 0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1u22 h ALA 383 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1u22 h ALA 383 CO 0.04 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.83 1u22 h LEU 384 N 0.11 0.07 -0.74 0.00 3.38 -0.40 -2.47 115.31 115.27 1u22 h LEU 384 Ca 0.01 -0.30 0.14 0.00 0.09 0.00 0.00 57.88 57.82 1u22 h LEU 384 Cb 0.86 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 1u22 h LEU 384 CO 0.07 0.35 0.28 0.00 0.09 0.00 0.00 178.44 179.23 1u22 h ALA 385 N 0.72 1.03 0.42 1.53 0.00 -0.29 -2.11 119.26 120.55 1u22 h ALA 385 Ca 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1u22 h ALA 385 Cb 0.32 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1u22 h ALA 385 CO 0.00 -0.22 -0.33 0.77 0.00 0.00 0.00 179.25 179.48 1u22 h SER 386 N 0.43 -0.87 -0.44 0.00 0.02 -0.89 -2.74 113.55 109.07 1u22 h SER 386 Ca 0.40 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.47 1u22 h SER 386 Cb 0.61 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.34 1u22 h SER 386 CO -0.40 -0.46 -0.51 -0.09 -1.14 0.00 0.00 176.83 174.22 1u22 h ARG 387 N -0.72 -0.34 0.00 3.45 2.43 -1.10 0.42 114.38 118.51 1u22 h ARG 387 Ca -0.05 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1u22 h ARG 387 Cb 0.60 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1u22 h ARG 387 CO 0.01 -0.23 0.00 0.54 -1.51 0.00 0.00 179.97 178.78 1u22 n ARG 388 N -5.39 0.08 -0.01 0.20 1.74 -0.83 -3.73 116.66 108.73 1u22 n ARG 388 Ca -0.02 0.57 -0.02 0.00 -0.77 0.00 0.00 57.85 57.61 1u22 n ARG 388 Cb 0.35 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1u22 n ARG 388 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1u22 n SER 389 N -1.91 0.59 0.00 0.55 3.41 -0.14 -4.98 113.62 111.14 1u22 n SER 389 Ca -0.01 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1u22 n SER 389 Cb 0.03 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1u22 n SER 389 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1u22 n SER 390 N -3.07 0.00 0.00 4.04 2.88 0.13 -4.72 113.62 112.87 1u22 n SER 390 Ca -0.03 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.54 1u22 n SER 390 Cb 0.10 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.73 1u22 n SER 390 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1u22 n PRO 391 N 0.00 0.39 0.00 -1.46 -0.02 -1.26 -1.39 135.00 131.26 1u22 n PRO 391 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 1u22 n PRO 391 Cb 0.00 -1.23 0.69 0.00 -0.02 0.00 0.00 33.50 32.94 1u22 n PRO 391 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u22 n ARG 392 N -0.73 0.50 0.00 -0.52 1.74 -1.26 -4.53 116.66 111.86 1u22 n ARG 392 Ca 0.04 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1u22 n ARG 392 Cb 0.02 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1u22 n ARG 392 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u22 n VAL 393 N -1.18 0.00 -1.53 1.55 0.31 -0.48 -4.50 118.33 112.49 1u22 n VAL 393 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 1u22 n VAL 393 Cb 0.26 -0.14 0.01 0.00 -0.91 0.00 0.00 33.84 33.06 1u22 n VAL 393 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1u22 n THR 394 N 0.00 2.15 -3.99 2.52 -1.04 -1.25 -3.54 114.28 109.12 1u22 n THR 394 Ca 0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 1u22 n THR 394 Cb 0.00 -0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.66 1u22 n THR 394 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1u22 s ASN 395 N -0.84 0.68 0.15 8.00 3.84 -1.26 -4.77 114.94 120.73 1u22 s ASN 395 Ca 0.63 -1.41 0.24 0.00 0.21 0.00 0.00 52.86 52.54 1u22 s ASN 395 Cb -0.60 0.75 0.43 0.00 -0.55 0.00 0.00 41.25 41.28 1u22 s ASN 395 CO 0.57 -1.47 1.41 -0.33 -2.79 0.00 0.00 177.10 174.50 1u22 h GLU 396 N 2.05 0.00 -0.10 0.43 4.39 -1.99 -2.62 114.58 116.75 1u22 h GLU 396 Ca -0.30 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.27 1u22 h GLU 396 Cb 1.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1u22 h GLU 396 CO 0.40 0.00 -0.53 0.78 -1.16 0.00 0.00 179.01 178.50 1u22 h GLY 397 N 4.49 0.29 -2.08 -3.84 0.00 -1.95 -1.82 103.07 98.16 1u22 h GLY 397 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1u22 h GLY 397 CO 0.00 0.29 0.00 -0.62 0.00 0.00 0.00 176.54 176.21 1u22 n VAL 398 N -3.94 0.69 0.00 4.60 0.31 -0.98 -1.35 118.33 117.65 1u22 n VAL 398 Ca -0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1u22 n VAL 398 Cb 0.56 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1u22 n VAL 398 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1u22 n GLN 399 N 0.73 1.26 0.00 5.55 0.00 -0.69 -4.67 117.38 119.57 1u22 n GLN 399 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.02 1u22 n GLN 399 Cb 0.33 -0.74 0.13 0.00 0.00 0.00 0.00 30.24 29.96 1u22 n GLN 399 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1u22 n LYS 400 N -1.47 0.12 0.08 3.69 4.76 -0.46 -1.28 118.16 123.61 1u22 n LYS 400 Ca 0.00 0.05 -0.20 0.00 -2.87 0.00 0.00 58.31 55.29 1u22 n LYS 400 Cb 0.24 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.78 1u22 n LYS 400 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u22 h ALA 401 N 2.27 0.15 0.00 7.82 0.00 -1.83 -3.30 119.26 124.36 1u22 h ALA 401 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1u22 h ALA 401 Cb 0.01 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1u22 h ALA 401 CO 0.00 1.02 0.00 0.00 0.00 0.00 0.00 179.25 180.27 1u22 n ALA 402 N -2.73 1.93 0.00 0.00 0.00 -0.40 -0.89 120.51 118.42 1u22 n ALA 402 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1u22 n ALA 402 Cb 1.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1u22 n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u22 n ALA 403 N 0.01 1.49 1.85 0.00 0.00 -1.24 -4.54 120.51 118.08 1u22 n ALA 403 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1u22 n ALA 403 Cb 0.10 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.34 1u22 n ALA 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u22 n ALA 404 N -1.03 2.65 1.53 0.00 0.00 -0.07 -2.21 120.51 121.38 1u22 n ALA 404 Ca 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.31 1u22 n ALA 404 Cb 0.00 -1.39 0.55 0.00 0.00 0.00 0.00 19.45 18.60 1u22 n ALA 404 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u22 n LEU 405 N -0.64 1.22 -3.58 0.00 7.99 -1.23 -4.50 117.00 116.26 1u22 n LEU 405 Ca 0.21 -0.44 -0.40 0.00 -0.01 0.00 0.00 56.01 55.37 1u22 n LEU 405 Cb 0.17 -0.03 -0.03 0.00 -0.11 0.00 0.00 43.42 43.42 1u22 n LEU 405 CO 0.17 0.22 2.40 1.17 -1.51 0.00 0.00 177.39 179.84 1u22 n LYS 406 N -0.03 2.12 -0.47 3.23 4.81 -0.94 -4.85 118.16 122.04 1u22 n LYS 406 Ca 0.19 -2.04 0.06 0.00 -0.87 0.00 0.00 58.31 55.65 1u22 n LYS 406 Cb 0.29 -2.96 -0.02 0.00 0.02 0.00 0.00 35.03 32.36 1u22 n LYS 406 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u22 n GLY 407 N 4.24 -1.07 0.00 3.14 0.00 -1.26 -4.75 105.19 105.48 1u22 n GLY 407 Ca 0.52 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1u22 n GLY 407 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u22 n SER 408 N -3.63 0.00 -3.02 1.61 3.41 -1.26 -4.94 113.62 105.79 1u22 n SER 408 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1u22 n SER 408 Cb 0.21 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1u22 n SER 408 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1u22 n ASP 409 N 0.00 -0.39 -4.77 4.04 9.92 -1.26 -5.00 116.55 119.09 1u22 n ASP 409 Ca 0.00 -3.25 -0.38 0.00 -0.53 0.00 0.00 54.79 50.63 1u22 n ASP 409 Cb 0.00 0.32 -0.04 0.00 -0.64 0.00 0.00 41.12 40.77 1u22 n ASP 409 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1u22 s HIS 410 N -1.37 3.34 -0.27 1.24 3.76 -1.26 -4.23 115.29 116.50 1u22 s HIS 410 Ca 0.33 1.64 -0.28 0.00 -0.15 0.00 0.00 55.06 56.61 1u22 s HIS 410 Cb 0.32 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 1u22 s HIS 410 CO -0.08 -0.77 2.14 0.50 -0.85 0.00 0.00 174.74 175.68 1u22 s ARG 411 N -2.02 3.08 0.00 1.40 3.52 -1.26 -4.54 118.95 119.12 1u22 s ARG 411 Ca 0.52 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.94 1u22 s ARG 411 Cb -0.28 -4.35 0.00 0.00 -1.56 0.00 0.00 34.95 28.76 1u22 s ARG 411 CO 0.36 -2.17 0.00 0.54 -0.81 0.00 0.00 175.30 173.22 1u22 n ARG 412 N 8.72 0.00 0.00 5.12 5.12 -1.26 -4.26 116.66 130.10 1u22 n ARG 412 Ca 0.29 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 1u22 n ARG 412 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 1u22 n ARG 412 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u22 n ALA 413 N 0.00 0.00 0.00 7.54 0.00 -1.26 -4.68 120.51 122.10 1u22 n ALA 413 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u22 n ALA 413 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1u22 n ALA 413 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u22 n THR 414 N 0.00 0.00 -1.56 0.00 -1.04 -1.26 -4.59 114.28 105.83 1u22 n THR 414 Ca 0.00 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.50 1u22 n THR 414 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1u22 n THR 414 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1u22 n ASN 415 N 0.00 1.14 -0.42 8.00 4.05 -1.26 -4.60 115.26 122.16 1u22 n ASN 415 Ca 0.00 1.14 0.34 0.00 0.45 0.00 0.00 54.58 56.51 1u22 n ASN 415 Cb 0.00 -1.16 0.63 0.00 1.23 0.00 0.00 39.78 40.48 1u22 n ASN 415 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 177.26 175.83 1u22 h VAL 416 N 2.80 0.22 -0.57 3.44 3.04 -1.92 0.59 116.25 123.85 1u22 h VAL 416 Ca -0.45 -0.05 -0.10 0.00 -1.01 0.00 0.00 66.70 65.10 1u22 h VAL 416 Cb 1.36 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 1u22 h VAL 416 CO 0.71 0.03 -0.02 0.77 -1.01 0.00 0.00 177.57 178.04 1u22 h SER 417 N 0.14 0.99 -0.38 3.17 4.64 -1.85 0.36 113.55 120.63 1u22 h SER 417 Ca 0.76 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1u22 h SER 417 Cb 2.38 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1u22 h SER 417 CO -0.34 1.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.67 1u22 n ALA 418 N -2.49 3.12 -0.02 5.18 0.00 0.20 -3.60 120.51 122.90 1u22 n ALA 418 Ca 0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 53.44 52.37 1u22 n ALA 418 Cb 0.35 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1u22 n ALA 418 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1u22 n ARG 419 N 0.50 2.04 0.06 0.00 0.63 -0.51 -4.55 116.66 114.82 1u22 n ARG 419 Ca 0.17 0.01 0.03 0.00 -0.92 0.00 0.00 57.85 57.14 1u22 n ARG 419 Cb 0.72 -1.09 0.41 0.00 0.45 0.00 0.00 32.46 32.95 1u22 n ARG 419 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1u22 h LEU 420 N 0.00 0.36 -1.84 6.15 3.38 -1.01 -1.68 115.31 120.67 1u22 h LEU 420 Ca -0.10 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 57.96 1u22 h LEU 420 Cb 1.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1u22 h LEU 420 CO -0.00 0.36 0.38 0.44 0.09 0.00 0.00 178.44 179.71 1u22 h ASP 421 N 0.40 0.16 0.13 -0.43 3.32 -1.80 -0.71 116.42 117.49 1u22 h ASP 421 Ca 0.10 0.01 -0.35 0.00 0.02 0.00 0.00 57.03 56.80 1u22 h ASP 421 Cb 0.14 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1u22 h ASP 421 CO -0.01 0.09 -1.90 0.00 -1.72 0.00 0.00 179.24 175.70 1u22 h ALA 422 N 1.73 0.37 -0.78 3.45 0.00 -1.56 -3.17 119.26 119.29 1u22 h ALA 422 Ca 0.26 -1.33 0.02 0.00 0.00 0.00 0.00 54.91 53.86 1u22 h ALA 422 Cb 0.81 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1u22 h ALA 422 CO -0.04 1.22 0.51 1.96 0.00 0.00 0.00 179.25 182.89 1u22 h GLN 423 N 0.01 0.98 0.15 0.00 4.20 -1.02 -2.07 115.11 117.36 1u22 h GLN 423 Ca -0.40 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 1u22 h GLN 423 Cb 2.00 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.56 1u22 h GLN 423 CO 0.09 0.65 -0.07 0.37 -0.67 0.00 0.00 178.83 179.20 1u22 h GLN 424 N 1.01 -0.19 -0.41 1.46 -0.00 -1.30 -2.86 115.11 112.82 1u22 h GLN 424 Ca 0.30 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 59.00 1u22 h GLN 424 Cb -0.06 0.04 -0.06 0.00 0.00 0.00 0.00 27.48 27.40 1u22 h GLN 424 CO -0.09 0.02 -0.38 -0.22 0.00 0.00 0.00 178.83 178.16 1u22 h LYS 425 N -0.37 -0.17 -1.13 1.69 3.64 -1.42 0.29 116.57 119.11 1u22 h LYS 425 Ca -0.02 0.01 0.32 0.00 -1.27 0.00 0.00 60.65 59.70 1u22 h LYS 425 Cb 0.29 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1u22 h LYS 425 CO 0.03 -0.11 0.80 -0.22 -2.27 0.00 0.00 179.45 177.68 1u22 h LYS 426 N -0.18 0.06 -2.08 1.90 1.63 -1.38 -3.30 116.57 113.22 1u22 h LYS 426 Ca 0.07 -0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 59.41 1u22 h LYS 426 Cb 0.36 -0.01 -0.33 0.00 -0.60 0.00 0.00 32.23 31.64 1u22 h LYS 426 CO -0.48 0.04 -0.79 -0.48 -3.45 0.00 0.00 179.45 174.29 1u22 s LEU 427 N -8.57 0.43 -0.46 5.20 2.34 0.95 -5.10 118.68 113.48 1u22 s LEU 427 Ca -0.06 -2.21 -0.28 0.00 0.06 0.00 0.00 54.13 51.65 1u22 s LEU 427 Cb 0.23 0.23 -0.08 0.00 -0.56 0.00 0.00 46.19 46.00 1u22 s LEU 427 CO 0.80 -0.21 2.37 -3.20 -1.06 0.00 0.00 176.35 175.05 1u22 n ASN 428 N 3.58 2.35 -4.62 1.48 5.15 -0.76 -4.69 115.26 117.75 1u22 n ASN 428 Ca 0.18 -0.19 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 1u22 n ASN 428 Cb 0.46 -1.49 -0.09 0.00 -0.53 0.00 0.00 39.78 38.13 1u22 n ASN 428 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1u22 s LEU 429 N 10.53 3.21 0.59 1.20 1.43 -1.26 -5.11 118.68 129.27 1u22 s LEU 429 Ca 1.03 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 1u22 s LEU 429 Cb -0.38 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1u22 s LEU 429 CO 0.33 0.18 1.05 -2.16 0.23 0.00 0.00 176.35 175.98 1u22 s PRO 430 N -2.21 3.36 0.39 1.29 0.04 -1.26 -4.98 135.00 131.63 1u22 s PRO 430 Ca 0.23 1.19 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 1u22 s PRO 430 Cb -0.11 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 1u22 s PRO 430 CO 0.15 -0.77 1.29 -0.89 0.04 0.00 0.00 177.00 176.82 1u22 n ILE 431 N -2.00 2.29 -3.04 0.56 -0.00 -1.26 -2.80 119.36 113.11 1u22 n ILE 431 Ca 0.09 -0.50 -0.13 0.00 -0.00 0.00 0.00 62.75 62.21 1u22 n ILE 431 Cb 0.53 -1.59 0.06 0.00 -0.00 0.00 0.00 39.64 38.64 1u22 n ILE 431 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1u22 n LEU 432 N 0.45 -3.31 -4.68 1.39 4.32 -1.13 -4.94 117.00 109.11 1u22 n LEU 432 Ca 0.05 -0.41 -0.46 0.00 -0.02 0.00 0.00 56.01 55.17 1u22 n LEU 432 Cb 0.38 -2.29 -0.04 0.00 -1.62 0.00 0.00 43.42 39.85 1u22 n LEU 432 CO 0.61 0.30 1.42 -0.81 -1.22 0.00 0.00 177.39 177.69 1u22 n PRO 433 N -3.24 2.31 -1.26 3.23 -0.04 -1.12 -4.27 135.00 130.60 1u22 n PRO 433 Ca -0.16 0.84 -0.30 0.00 -0.04 0.00 0.00 63.50 63.84 1u22 n PRO 433 Cb 0.60 -2.68 0.11 0.00 -0.04 0.00 0.00 33.50 31.49 1u22 n PRO 433 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1u22 s THR 434 N 3.09 3.06 0.00 0.52 2.01 -1.26 -1.88 115.64 121.18 1u22 s THR 434 Ca 0.87 0.35 0.00 0.00 0.31 0.00 0.00 61.69 63.22 1u22 s THR 434 Cb -0.64 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1u22 s THR 434 CO 0.45 -0.45 0.00 1.07 -0.69 0.00 0.00 174.62 175.00 1u22 n THR 435 N -3.65 0.00 -3.59 -0.82 5.66 -0.31 -3.07 114.28 108.50 1u22 n THR 435 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1u22 n THR 435 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1u22 n THR 435 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1u22 n THR 436 N -0.19 0.00 -0.05 1.09 -2.24 -1.26 -3.90 114.28 107.74 1u22 n THR 436 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1u22 n THR 436 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1u22 n THR 436 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1u22 n ILE 437 N 0.00 0.60 0.00 2.28 2.08 -1.26 -4.76 119.36 118.30 1u22 n ILE 437 Ca 0.00 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1u22 n ILE 437 Cb 0.00 -0.85 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 1u22 n ILE 437 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1u22 n GLY 438 N 2.87 -0.43 3.94 7.39 0.00 -1.26 -4.81 105.19 112.89 1u22 n GLY 438 Ca -0.18 0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1u22 n GLY 438 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u22 s SER 439 N 0.00 6.13 0.05 1.61 1.04 -1.26 -2.84 113.70 118.43 1u22 s SER 439 Ca 0.00 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1u22 s SER 439 Cb 0.00 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1u22 s SER 439 CO 0.00 -0.48 -0.04 -0.36 0.98 0.00 0.00 173.24 173.33 1u22 s PHE 440 N -2.47 0.56 0.81 5.02 0.40 -1.23 -1.53 117.98 119.55 1u22 s PHE 440 Ca 0.44 -0.89 -0.14 0.00 -0.60 0.00 0.00 56.93 55.73 1u22 s PHE 440 Cb -0.10 -0.38 0.02 0.00 0.51 0.00 0.00 43.02 43.07 1u22 s PHE 440 CO 0.38 -0.27 0.68 -2.30 0.70 0.00 0.00 175.22 174.41 1u22 n PRO 441 N 0.46 0.10 -3.31 0.24 -0.02 -1.19 -4.23 135.00 127.04 1u22 n PRO 441 Ca -0.16 0.09 -0.21 0.00 -2.02 0.00 0.00 63.50 61.20 1u22 n PRO 441 Cb 0.59 -2.01 0.02 0.00 -0.02 0.00 0.00 33.50 32.08 1u22 n PRO 441 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1u22 s GLN 442 N -3.39 2.45 0.00 -0.52 -0.21 -1.26 -5.01 119.66 111.72 1u22 s GLN 442 Ca 0.65 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.41 1u22 s GLN 442 Cb -0.29 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.22 1u22 s GLN 442 CO 0.59 -0.55 0.00 0.25 -2.12 0.00 0.00 175.29 173.46 1u22 n THR 443 N -1.92 0.00 0.05 -0.19 -2.24 -1.26 -4.88 114.28 103.84 1u22 n THR 443 Ca 0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.72 1u22 n THR 443 Cb 0.62 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 1u22 n THR 443 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1u22 h VAL 444 N 0.00 0.00 -4.28 2.28 -1.51 -2.08 -3.48 116.25 107.19 1u22 h VAL 444 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1u22 h VAL 444 Cb 0.00 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 1u22 h VAL 444 CO 0.00 0.00 -0.56 -0.62 -1.23 0.00 0.00 177.57 175.16 1u22 n GLU 445 N -5.20 -2.01 -3.11 5.19 -0.58 -1.26 -4.98 120.64 108.69 1u22 n GLU 445 Ca -0.07 1.82 -0.41 0.00 -0.42 0.00 0.00 57.16 58.09 1u22 n GLU 445 Cb 0.36 -3.66 -0.06 0.00 -0.57 0.00 0.00 31.44 27.51 1u22 n GLU 445 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u22 s LEU 446 N -1.09 4.12 0.00 -4.62 2.01 -1.26 -5.26 118.68 112.58 1u22 s LEU 446 Ca 0.02 0.50 0.00 0.00 0.01 0.00 0.00 54.13 54.66 1u22 s LEU 446 Cb -0.01 -2.83 0.00 0.00 0.01 0.00 0.00 46.19 43.36 1u22 s LEU 446 CO 0.47 -0.46 0.00 0.54 1.01 0.00 0.00 176.35 177.91 1u22 n ARG 447 N 5.85 0.00 0.00 1.70 1.74 -1.26 -5.23 116.66 119.46 1u22 n ARG 447 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1u22 n ARG 447 Cb 0.49 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1u22 n ARG 447 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1u22 n GLU 461 N 1.07 0.87 0.03 5.56 -0.58 -1.26 -5.28 120.64 121.05 1u22 n GLU 461 Ca 0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 1u22 n GLU 461 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 1u22 n GLU 461 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1u22 n ASP 462 N 0.00 0.38 0.04 1.62 -0.08 -1.26 -3.84 116.55 113.41 1u22 n ASP 462 Ca 0.00 0.15 -0.10 0.00 -1.51 0.00 0.00 54.79 53.33 1u22 n ASP 462 Cb 0.00 1.23 -0.07 0.00 2.34 0.00 0.00 41.12 44.62 1u22 n ASP 462 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1u22 h TYR 463 N 0.00 -0.19 -0.79 -0.67 0.05 -2.05 0.29 116.97 113.61 1u22 h TYR 463 Ca -0.04 -0.00 0.22 0.00 0.05 0.00 0.00 58.73 58.95 1u22 h TYR 463 Cb 1.11 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 1u22 h TYR 463 CO 0.00 0.23 0.56 -0.24 -1.05 0.00 0.00 178.16 177.66 1u22 h VAL 464 N -0.91 0.62 0.05 -2.88 3.04 -2.02 -1.65 116.25 112.50 1u22 h VAL 464 Ca -0.02 -0.01 -0.28 0.00 -1.01 0.00 0.00 66.70 65.37 1u22 h VAL 464 Cb 0.50 0.57 -0.03 0.00 -2.01 0.00 0.00 31.29 30.33 1u22 h VAL 464 CO 0.03 0.01 -1.53 0.11 -1.01 0.00 0.00 177.57 175.18 1u22 h LYS 465 N 0.04 0.10 -0.41 4.17 1.79 -1.66 -3.32 116.57 117.28 1u22 h LYS 465 Ca 0.38 -0.17 0.09 0.00 -2.18 0.00 0.00 60.65 58.76 1u22 h LYS 465 Cb 1.45 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 32.07 1u22 h LYS 465 CO -0.02 1.08 -0.18 0.00 -1.08 0.00 0.00 179.45 179.25 1u22 h ALA 466 N -0.29 0.14 -0.02 3.86 0.00 0.29 -2.08 119.26 121.16 1u22 h ALA 466 Ca -0.38 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1u22 h ALA 466 Cb 1.57 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1u22 h ALA 466 CO -0.10 -0.54 -0.11 0.82 0.00 0.00 0.00 179.25 179.33 1u22 h ILE 467 N -0.10 0.72 -0.80 0.00 2.04 -1.53 -1.79 117.51 116.06 1u22 h ILE 467 Ca 0.20 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.35 1u22 h ILE 467 Cb 0.41 0.72 -0.15 0.00 -0.74 0.00 0.00 36.82 37.07 1u22 h ILE 467 CO -0.48 0.00 0.25 1.17 0.00 0.00 0.00 178.15 179.09 1u22 n LYS 468 N -5.24 -0.06 0.00 2.37 4.81 -0.79 -0.20 118.16 119.06 1u22 n LYS 468 Ca -0.05 1.15 -0.19 0.00 -0.87 0.00 0.00 58.31 58.35 1u22 n LYS 468 Cb 0.16 -1.96 -0.14 0.00 0.02 0.00 0.00 35.03 33.11 1u22 n LYS 468 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1u22 h GLU 469 N 0.00 0.20 -0.69 1.64 4.57 -1.31 -3.25 114.58 115.73 1u22 h GLU 469 Ca 0.60 -0.34 0.04 0.00 -1.18 0.00 0.00 59.36 58.47 1u22 h GLU 469 Cb 1.45 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 30.12 1u22 h GLU 469 CO -0.68 1.16 0.42 0.93 -1.18 0.00 0.00 179.01 179.67 1u22 h GLU 470 N -0.54 0.79 0.00 1.92 5.08 0.27 -0.34 114.58 121.76 1u22 h GLU 470 Ca -0.17 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1u22 h GLU 470 Cb 1.51 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1u22 h GLU 470 CO 0.07 0.52 -0.28 0.97 -1.00 0.00 0.00 179.01 179.29 1u22 h ILE 471 N 0.81 0.78 0.01 3.13 6.09 -0.96 -1.48 117.51 125.89 1u22 h ILE 471 Ca 0.29 -1.15 -0.21 0.00 -1.37 0.00 0.00 64.86 62.42 1u22 h ILE 471 Cb 0.07 1.71 -0.00 0.00 0.47 0.00 0.00 36.82 39.06 1u22 h ILE 471 CO -0.13 0.27 -0.92 0.11 -3.07 0.00 0.00 178.15 174.42 1u22 h LYS 472 N 0.00 0.30 -0.02 2.19 1.57 -1.39 1.39 116.57 120.61 1u22 h LYS 472 Ca -0.00 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1u22 h LYS 472 Cb 0.69 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1u22 h LYS 472 CO 0.04 1.03 -0.29 0.87 -0.57 0.00 0.00 179.45 180.53 1u22 h LYS 473 N 0.16 0.03 0.03 3.15 1.57 -0.46 -2.10 116.57 118.94 1u22 h LYS 473 Ca -0.06 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.45 1u22 h LYS 473 Cb 1.55 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.83 1u22 h LYS 473 CO 0.15 0.31 -1.40 0.28 -0.57 0.00 0.00 179.45 178.22 1u22 h VAL 474 N 0.02 0.87 -0.62 0.50 2.07 -1.05 -2.53 116.25 115.52 1u22 h VAL 474 Ca 0.00 -2.22 0.18 0.00 0.82 0.00 0.00 66.70 65.48 1u22 h VAL 474 Cb 0.52 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1u22 h VAL 474 CO 0.04 0.45 0.65 0.58 0.02 0.00 0.00 177.57 179.30 1u22 h VAL 475 N -0.76 0.30 0.00 2.57 2.07 0.19 -0.20 116.25 120.41 1u22 h VAL 475 Ca -0.36 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1u22 h VAL 475 Cb 1.46 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1u22 h VAL 475 CO -0.14 0.00 -0.15 -0.78 0.02 0.00 0.00 177.57 176.52 1u22 h ASP 476 N 0.00 0.00 -0.99 0.57 1.82 -1.48 -3.11 116.42 113.23 1u22 h ASP 476 Ca 0.29 -0.09 0.35 0.00 -0.39 0.00 0.00 57.03 57.20 1u22 h ASP 476 Cb 1.58 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 41.43 1u22 h ASP 476 CO -0.00 0.62 0.49 -0.07 -1.61 0.00 0.00 179.24 178.67 1u22 h LEU 477 N -1.00 0.31 0.27 2.28 3.38 -0.63 1.22 115.31 121.13 1u22 h LEU 477 Ca -0.01 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1u22 h LEU 477 Cb 0.23 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1u22 h LEU 477 CO -0.01 -0.29 -0.13 1.56 0.09 0.00 0.00 178.44 179.67 1u22 h GLN 478 N 0.15 -0.35 -0.14 1.13 4.20 -1.34 -3.31 115.11 115.46 1u22 h GLN 478 Ca 0.76 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.53 1u22 h GLN 478 Cb 1.84 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 29.66 1u22 h GLN 478 CO -0.71 -0.23 -0.09 1.05 -0.67 0.00 0.00 178.83 178.18 1u22 h GLU 479 N -0.51 -0.09 -6.43 1.46 4.11 -1.37 -3.15 114.58 108.60 1u22 h GLU 479 Ca -0.04 0.01 -0.53 0.00 0.07 0.00 0.00 59.36 58.86 1u22 h GLU 479 Cb 0.27 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.56 1u22 h GLU 479 CO 0.06 -0.06 1.00 -2.00 0.07 0.00 0.00 179.01 178.08 1u22 s GLU 480 N -6.18 4.20 -0.48 1.06 2.56 0.42 -3.93 118.70 116.34 1u22 s GLU 480 Ca -0.14 2.30 -0.06 0.00 0.00 0.00 0.00 54.97 57.08 1u22 s GLU 480 Cb 0.10 -3.64 0.06 0.00 2.00 0.00 0.00 34.13 32.65 1u22 s GLU 480 CO 0.68 -0.74 0.15 1.47 -0.56 0.00 0.00 175.26 176.26 1u22 n LEU 481 N 5.73 -0.22 0.00 2.70 -0.00 -1.26 -4.27 117.00 119.68 1u22 n LEU 481 Ca 0.16 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1u22 n LEU 481 Cb 0.41 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1u22 n LEU 481 CO 0.62 0.03 0.00 0.47 -0.00 0.00 0.00 177.39 178.52 1u22 n ASP 482 N -0.07 0.00 -1.77 1.45 9.92 -1.19 -4.76 116.55 120.12 1u22 n ASP 482 Ca 0.02 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.28 1u22 n ASP 482 Cb 0.12 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1u22 n ASP 482 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1u22 n ILE 483 N 0.00 -4.78 0.04 0.53 5.41 -1.26 -4.27 119.36 115.03 1u22 n ILE 483 Ca 0.00 0.53 0.01 0.00 1.00 0.00 0.00 62.75 64.30 1u22 n ILE 483 Cb 0.00 -4.51 0.08 0.00 -0.71 0.00 0.00 39.64 34.50 1u22 n ILE 483 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1u22 n ASP 484 N 0.26 0.07 -3.40 4.38 8.00 -1.21 -4.05 116.55 120.61 1u22 n ASP 484 Ca -0.04 0.33 0.01 0.00 0.71 0.00 0.00 54.79 55.80 1u22 n ASP 484 Cb 0.06 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 1u22 n ASP 484 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u22 s VAL 485 N -2.72 -0.96 0.29 2.53 1.01 -1.17 -4.09 120.40 115.28 1u22 s VAL 485 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1u22 s VAL 485 Cb 0.01 -0.97 0.06 0.00 0.00 0.00 0.00 36.38 35.47 1u22 s VAL 485 CO 0.03 -0.00 0.40 0.18 0.00 0.00 0.00 175.10 175.71 1u22 n LEU 486 N 5.43 0.00 -3.83 3.92 4.77 -0.02 -4.25 117.00 123.02 1u22 n LEU 486 Ca -0.06 -0.87 -0.10 0.00 -0.03 0.00 0.00 56.01 54.95 1u22 n LEU 486 Cb 0.50 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1u22 n LEU 486 CO 0.00 -0.69 0.05 -0.69 -1.33 0.00 0.00 177.39 174.73 1u22 s VAL 487 N -1.08 0.08 -2.20 4.08 1.01 -1.26 -1.14 120.40 119.89 1u22 s VAL 487 Ca 0.27 -1.06 0.28 0.00 0.00 0.00 0.00 61.98 61.47 1u22 s VAL 487 Cb -0.02 -1.53 0.70 0.00 0.00 0.00 0.00 36.38 35.54 1u22 s VAL 487 CO 0.18 -0.36 1.94 0.00 0.00 0.00 0.00 175.10 176.85 1u22 n HIS 488 N -0.20 0.02 -2.22 5.22 1.44 -1.26 -4.75 115.22 113.47 1u22 n HIS 488 Ca -0.12 -0.01 -0.17 0.00 -2.01 0.00 0.00 57.72 55.42 1u22 n HIS 488 Cb 0.63 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.72 1u22 n HIS 488 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1u22 n GLY 489 N 1.05 -0.10 2.72 -1.39 0.00 -1.22 -4.13 105.19 102.12 1u22 n GLY 489 Ca 0.20 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1u22 n GLY 489 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u22 n GLU 490 N -2.58 -0.93 0.43 1.61 1.02 -1.13 -3.51 120.64 115.55 1u22 n GLU 490 Ca -0.19 0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 56.80 1u22 n GLU 490 Cb 0.64 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.48 1u22 n GLU 490 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1u22 h PRO 491 N -0.19 -1.09 0.00 3.49 0.13 -1.92 -2.52 132.00 129.90 1u22 h PRO 491 Ca -0.21 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1u22 h PRO 491 Cb 0.47 0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1u22 h PRO 491 CO 0.29 -0.73 0.00 -0.85 -0.23 0.00 0.00 178.00 176.48 1u22 n GLU 492 N -5.59 0.00 -4.03 0.86 -0.00 -1.26 -4.44 120.64 106.17 1u22 n GLU 492 Ca -0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 56.70 1u22 n GLU 492 Cb 0.46 -1.41 -0.16 0.00 -0.00 0.00 0.00 31.44 30.34 1u22 n GLU 492 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1u22 s ARG 493 N -1.67 2.35 0.00 3.44 0.52 -0.95 -5.04 118.95 117.60 1u22 s ARG 493 Ca 0.00 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1u22 s ARG 493 Cb 0.00 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1u22 s ARG 493 CO 0.00 -0.31 0.04 0.09 0.02 0.00 0.00 175.30 175.14 1u22 n ASN 494 N 4.70 0.00 -0.78 0.23 3.02 -1.26 -4.97 115.26 116.19 1u22 n ASN 494 Ca -0.17 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1u22 n ASN 494 Cb 0.48 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1u22 n ASN 494 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1u22 n ASP 495 N -0.76 0.00 0.00 6.41 2.03 -1.26 -5.01 116.55 117.96 1u22 n ASP 495 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1u22 n ASP 495 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1u22 n ASP 495 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1u22 n VAL 497 N 0.00 0.00 -0.03 5.18 0.31 -1.26 0.12 118.33 122.65 1u22 n VAL 497 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1u22 n VAL 497 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1u22 n VAL 497 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1u22 h GLU 498 N 0.00 0.20 -0.62 5.55 5.08 -1.96 -2.34 114.58 120.49 1u22 h GLU 498 Ca 0.00 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1u22 h GLU 498 Cb 0.00 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 1u22 h GLU 498 CO 0.00 0.35 -0.36 0.98 -1.00 0.00 0.00 179.01 178.98 1u22 n TYR 499 N -4.86 -0.27 0.18 4.33 9.36 0.12 0.46 117.16 126.48 1u22 n TYR 499 Ca -0.05 0.77 0.03 0.00 3.32 0.00 0.00 57.90 61.97 1u22 n TYR 499 Cb 0.15 -0.53 0.41 0.00 -0.63 0.00 0.00 39.34 38.74 1u22 n TYR 499 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1u22 h PHE 500 N 0.00 0.07 0.02 2.98 0.04 -1.79 -3.09 116.94 115.16 1u22 h PHE 500 Ca 0.10 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1u22 h PHE 500 Cb 0.25 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1u22 h PHE 500 CO -0.81 0.31 -0.01 0.78 -0.60 0.00 0.00 178.31 177.98 1u22 h GLY 501 N 0.83 -0.03 0.28 -1.45 0.00 0.57 -2.65 103.07 100.63 1u22 h GLY 501 Ca 0.01 0.01 0.17 0.00 0.00 0.00 0.00 47.33 47.52 1u22 h GLY 501 CO 0.03 -0.01 0.61 0.83 0.00 0.00 0.00 176.54 178.00 1u22 h GLU 502 N -0.25 0.74 -1.02 4.80 5.08 -1.15 0.18 114.58 122.97 1u22 h GLU 502 Ca -0.00 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.08 1u22 h GLU 502 Cb 0.24 -0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.18 1u22 h GLU 502 CO 0.01 0.49 0.29 1.04 -1.00 0.00 0.00 179.01 179.84 1u22 n GLN 503 N -4.66 1.56 -4.25 2.33 6.02 -1.02 -4.92 117.38 112.44 1u22 n GLN 503 Ca 0.21 -1.33 -0.15 0.00 -0.01 0.00 0.00 57.00 55.72 1u22 n GLN 503 Cb 0.53 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 1u22 n GLN 503 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u22 s LEU 504 N -1.46 1.40 0.00 1.08 1.43 0.64 -4.81 118.68 116.94 1u22 s LEU 504 Ca 0.25 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 1u22 s LEU 504 Cb 0.21 0.33 0.00 0.00 0.03 0.00 0.00 46.19 46.76 1u22 s LEU 504 CO 0.05 -0.87 0.40 -0.24 0.23 0.00 0.00 176.35 175.92 1u22 n SER 505 N -0.60 0.00 -1.06 2.29 2.88 -0.75 -4.11 113.62 112.27 1u22 n SER 505 Ca 0.02 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1u22 n SER 505 Cb 0.65 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1u22 n SER 505 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u22 n GLY 506 N 0.65 1.46 3.21 0.46 0.00 -1.20 -4.80 105.19 104.96 1u22 n GLY 506 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1u22 n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u22 s PHE 507 N 0.32 2.76 0.34 1.61 0.40 -1.26 -1.25 117.98 120.91 1u22 s PHE 507 Ca 0.00 -1.26 0.09 0.00 -0.60 0.00 0.00 56.93 55.16 1u22 s PHE 507 Cb 0.00 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 1u22 s PHE 507 CO 0.00 -0.59 0.03 0.00 0.70 0.00 0.00 175.22 175.35 1u22 s ALA 508 N 0.97 3.23 -0.03 5.36 0.00 -0.05 -4.85 121.76 126.38 1u22 s ALA 508 Ca -0.03 -1.95 0.01 0.00 0.00 0.00 0.00 51.96 49.99 1u22 s ALA 508 Cb -0.15 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1u22 s ALA 508 CO -0.04 0.06 -0.04 -0.06 0.00 0.00 0.00 175.76 175.69 1u22 s PHE 509 N -2.51 0.56 0.25 0.00 0.40 -1.26 -1.91 117.98 113.50 1u22 s PHE 509 Ca 0.35 -0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 1u22 s PHE 509 Cb -0.00 -0.48 -0.08 0.00 0.51 0.00 0.00 43.02 42.97 1u22 s PHE 509 CO 0.20 -0.11 0.60 0.95 0.70 0.00 0.00 175.22 177.55 1u22 s THR 510 N 0.55 4.86 -0.13 0.64 -4.23 -1.26 -4.69 115.64 111.38 1u22 s THR 510 Ca -0.07 0.63 -0.28 0.00 -1.18 0.00 0.00 61.69 60.79 1u22 s THR 510 Cb -0.10 -3.63 -0.25 0.00 1.34 0.00 0.00 72.50 69.86 1u22 s THR 510 CO -0.00 -0.07 0.77 0.00 -0.54 0.00 0.00 174.62 174.78 1u22 h ALA 511 N 2.56 -0.00 -0.03 3.99 0.00 -1.96 -3.40 119.26 120.41 1u22 h ALA 511 Ca -0.47 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1u22 h ALA 511 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u22 h ALA 511 CO 0.68 -0.01 0.00 0.09 0.00 0.00 0.00 179.25 180.01 1u22 n ASN 512 N -4.62 2.15 -4.58 0.00 3.02 -1.26 -4.95 115.26 105.02 1u22 n ASN 512 Ca -0.10 -2.15 -0.30 0.00 -0.03 0.00 0.00 54.58 52.01 1u22 n ASN 512 Cb 0.46 -0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.50 1u22 n ASN 512 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1u22 s GLY 513 N -1.24 0.36 0.20 7.41 0.00 -1.26 -4.86 107.32 107.92 1u22 s GLY 513 Ca 0.07 -2.27 0.05 0.00 0.00 0.00 0.00 44.72 42.56 1u22 s GLY 513 CO 0.02 3.45 0.26 -0.98 0.00 0.00 0.00 173.10 175.84 1u22 s TRP 514 N 10.16 3.33 0.06 1.90 0.52 -1.26 -4.38 118.94 129.27 1u22 s TRP 514 Ca 0.66 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.82 1u22 s TRP 514 Cb -0.00 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 1u22 s TRP 514 CO 0.13 0.50 -0.08 0.08 0.02 0.00 0.00 176.95 177.59 1u22 s VAL 515 N -1.88 0.68 0.22 4.03 1.01 -1.03 -4.02 120.40 119.41 1u22 s VAL 515 Ca 0.33 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 1u22 s VAL 515 Cb -0.10 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 1u22 s VAL 515 CO 0.27 -0.49 0.54 -1.58 0.00 0.00 0.00 175.10 173.83 1u22 s GLN 516 N -2.24 3.80 -0.03 2.72 0.74 -1.26 -1.32 119.66 122.07 1u22 s GLN 516 Ca -0.03 0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.66 1u22 s GLN 516 Cb -0.06 -2.68 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 1u22 s GLN 516 CO -0.01 0.34 -0.01 0.45 -0.55 0.00 0.00 175.29 175.51 1u22 n SER 517 N -0.06 3.97 0.00 6.67 2.88 -0.64 -4.63 113.62 121.81 1u22 n SER 517 Ca -0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1u22 n SER 517 Cb 0.52 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1u22 n SER 517 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u22 n TYR 518 N -2.40 0.00 -0.39 0.66 0.18 -1.12 -2.10 117.16 111.99 1u22 n TYR 518 Ca -0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.73 1u22 n TYR 518 Cb 0.57 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.53 1u22 n TYR 518 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1u22 n GLY 519 N -0.38 3.47 0.43 -7.48 0.00 -1.26 -1.05 105.19 98.91 1u22 n GLY 519 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1u22 n GLY 519 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u22 n SER 520 N 4.30 1.37 -4.86 1.61 3.41 -1.26 -4.89 113.62 113.30 1u22 n SER 520 Ca 0.00 -1.38 -0.32 0.00 -0.26 0.00 0.00 58.87 56.91 1u22 n SER 520 Cb 0.00 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 1u22 n SER 520 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u22 s ARG 521 N -2.08 3.91 0.21 4.33 3.00 -0.21 -4.82 118.95 123.27 1u22 s ARG 521 Ca 0.36 0.53 -0.00 0.00 0.00 0.00 0.00 55.73 56.62 1u22 s ARG 521 Cb 0.21 -2.47 0.00 0.00 0.00 0.00 0.00 34.95 32.69 1u22 s ARG 521 CO 0.37 0.16 0.27 0.00 0.00 0.00 0.00 175.30 176.10 1u22 s VAL 523 N -2.68 -0.02 -0.49 0.00 -7.23 -0.43 -4.78 120.40 104.77 1u22 s VAL 523 Ca 0.18 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.29 1u22 s VAL 523 Cb -0.00 -0.72 0.12 0.00 0.56 0.00 0.00 36.38 36.34 1u22 s VAL 523 CO 0.13 0.02 0.40 -0.75 -0.31 0.00 0.00 175.10 174.59 1u22 s LYS 524 N 1.25 2.70 0.34 4.82 2.20 -1.26 -2.47 119.74 127.32 1u22 s LYS 524 Ca -0.08 -1.70 -0.27 0.00 -0.36 0.00 0.00 55.97 53.56 1u22 s LYS 524 Cb -0.07 -4.06 -0.09 0.00 -1.51 0.00 0.00 37.83 32.10 1u22 s LYS 524 CO -0.12 -1.22 1.12 -2.14 -0.36 0.00 0.00 175.35 172.64 1u22 s PRO 525 N 1.47 4.36 0.88 4.03 0.02 -1.26 -5.03 135.00 139.47 1u22 s PRO 525 Ca 0.04 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 1u22 s PRO 525 Cb -0.27 -2.91 0.12 0.00 0.02 0.00 0.00 34.50 31.46 1u22 s PRO 525 CO 0.01 -0.03 1.10 -2.14 -0.33 0.00 0.00 177.00 175.61 1u22 s PRO 526 N -1.92 1.37 -0.15 5.54 0.02 -1.26 -4.62 135.00 133.99 1u22 s PRO 526 Ca 0.51 1.17 -0.01 0.00 0.02 0.00 0.00 61.00 62.69 1u22 s PRO 526 Cb -0.30 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 1u22 s PRO 526 CO 0.39 -2.26 -0.13 0.08 -0.33 0.00 0.00 177.00 174.75 1u22 s VAL 527 N -2.80 2.95 -0.64 3.83 1.01 -0.80 -0.87 120.40 123.08 1u22 s VAL 527 Ca 0.64 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1u22 s VAL 527 Cb -0.20 -2.26 0.16 0.00 0.00 0.00 0.00 36.38 34.09 1u22 s VAL 527 CO 0.58 0.51 0.56 -0.63 0.00 0.00 0.00 175.10 176.11 1u22 s ILE 528 N 0.69 5.00 -0.04 2.22 1.01 -0.85 -0.87 121.20 128.35 1u22 s ILE 528 Ca -0.06 -2.06 -0.13 0.00 0.00 0.00 0.00 60.65 58.40 1u22 s ILE 528 Cb -0.15 -4.18 -0.31 0.00 0.01 0.00 0.00 42.46 37.83 1u22 s ILE 528 CO 0.02 -0.91 0.71 0.10 0.00 0.00 0.00 174.94 174.86 1u22 h TYR 529 N 8.21 0.72 -3.63 3.97 -0.00 -1.45 -2.97 116.97 121.82 1u22 h TYR 529 Ca -0.11 -0.52 -0.49 0.00 0.00 0.00 0.00 58.73 57.61 1u22 h TYR 529 Cb 1.06 -0.03 -0.13 0.00 0.00 0.00 0.00 36.73 37.63 1u22 h TYR 529 CO 0.82 1.63 -0.52 0.20 -0.00 0.00 0.00 178.16 180.29 1u22 s GLY 530 N -4.99 2.38 -0.46 0.10 0.00 -1.24 -4.87 107.32 98.24 1u22 s GLY 530 Ca -0.15 -1.61 -0.44 0.00 0.00 0.00 0.00 44.72 42.51 1u22 s GLY 530 CO 0.85 -1.66 1.88 1.22 0.00 0.00 0.00 173.10 175.39 1u22 n ASP 531 N -1.27 1.25 -4.77 1.64 9.92 -1.23 -3.46 116.55 118.64 1u22 n ASP 531 Ca -0.00 0.91 -0.38 0.00 -0.53 0.00 0.00 54.79 54.79 1u22 n ASP 531 Cb 0.64 -0.95 -0.01 0.00 -0.64 0.00 0.00 41.12 40.16 1u22 n ASP 531 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1u22 s VAL 532 N 4.60 2.92 -0.29 2.53 1.01 -1.26 -3.27 120.40 126.63 1u22 s VAL 532 Ca 1.10 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 63.69 1u22 s VAL 532 Cb -1.39 -3.43 0.14 0.00 0.00 0.00 0.00 36.38 31.70 1u22 s VAL 532 CO 0.71 0.07 0.93 -0.55 0.00 0.00 0.00 175.10 176.26 1u22 s SER 533 N -1.04 -0.58 -0.95 3.32 0.15 -1.26 -4.68 113.70 108.66 1u22 s SER 533 Ca 0.59 0.91 -0.08 0.00 0.70 0.00 0.00 55.95 58.08 1u22 s SER 533 Cb -0.33 1.26 0.24 0.00 -1.71 0.00 0.00 66.02 65.48 1u22 s SER 533 CO 0.42 -0.14 0.89 -0.60 1.20 0.00 0.00 173.24 175.01 1u22 s ARG 534 N 1.44 3.69 0.47 5.44 3.52 -1.26 -1.81 118.95 130.45 1u22 s ARG 534 Ca -0.09 -3.02 0.18 0.00 -0.13 0.00 0.00 55.73 52.67 1u22 s ARG 534 Cb -0.04 -4.30 1.16 0.00 -1.56 0.00 0.00 34.95 30.22 1u22 s ARG 534 CO -0.16 -1.25 2.03 -1.35 -0.81 0.00 0.00 175.30 173.76 1u22 h PRO 535 N 6.74 0.00 -6.09 5.12 0.11 -1.97 -3.44 132.00 132.47 1u22 h PRO 535 Ca 0.14 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.70 1u22 h PRO 535 Cb 0.90 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.83 1u22 h PRO 535 CO 0.89 0.15 -0.79 0.15 -0.21 0.00 0.00 178.00 178.19 1u22 s LYS 536 N -4.54 1.34 1.01 1.05 1.02 -1.26 -5.23 119.74 113.13 1u22 s LYS 536 Ca -0.04 -1.45 -0.11 0.00 0.02 0.00 0.00 55.97 54.39 1u22 s LYS 536 Cb 0.15 -1.46 0.20 0.00 -0.52 0.00 0.00 37.83 36.20 1u22 s LYS 536 CO 0.66 0.30 1.09 0.00 -0.92 0.00 0.00 175.35 176.48 1u22 s ALA 537 N -1.98 0.70 0.00 5.17 0.00 -1.26 -5.05 121.76 119.35 1u22 s ALA 537 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1u22 s ALA 537 Cb -0.06 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1u22 s ALA 537 CO 0.08 -3.12 0.00 2.41 0.00 0.00 0.00 175.76 175.13 1u22 n THR 539 N -4.44 0.00 0.00 0.00 -1.04 -1.26 -4.94 114.28 102.59 1u22 n THR 539 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1u22 n THR 539 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1u22 n THR 539 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1u22 n VAL 540 N 0.00 0.00 -0.04 12.58 0.31 -1.26 -3.13 118.33 126.79 1u22 n VAL 540 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1u22 n VAL 540 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1u22 n VAL 540 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1u22 n PHE 541 N 0.00 -0.05 -0.01 3.52 7.35 -1.26 0.15 117.46 127.16 1u22 n PHE 541 Ca 0.00 0.13 -0.05 0.00 -0.76 0.00 0.00 57.45 56.77 1u22 n PHE 541 Cb 0.00 -0.37 0.15 0.00 0.35 0.00 0.00 39.48 39.61 1u22 n PHE 541 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1u22 h TRP 542 N 0.00 0.64 -0.28 -5.13 4.06 -2.00 -3.13 115.95 110.10 1u22 h TRP 542 Ca 0.02 -0.15 -0.11 0.00 2.06 0.00 0.00 58.89 60.71 1u22 h TRP 542 Cb 0.04 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 1u22 h TRP 542 CO -0.64 0.80 -0.24 0.77 -3.56 0.00 0.00 178.44 175.56 1u22 h SER 543 N 0.48 0.71 0.00 -3.49 0.02 -1.41 -2.28 113.55 107.57 1u22 h SER 543 Ca 0.06 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1u22 h SER 543 Cb 0.76 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1u22 h SER 543 CO 0.06 1.02 0.00 0.00 -1.14 0.00 0.00 176.83 176.77 1u22 n ALA 544 N -2.48 1.64 0.00 3.77 0.00 0.38 -1.74 120.51 122.09 1u22 n ALA 544 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1u22 n ALA 544 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1u22 n ALA 544 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u22 n ALA 546 N 0.85 0.00 -2.53 0.00 0.00 -0.86 -4.11 120.51 113.86 1u22 n ALA 546 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1u22 n ALA 546 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1u22 n ALA 546 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1u22 n GLN 547 N 0.00 3.22 -1.74 0.00 -0.06 -0.71 -4.08 117.38 114.00 1u22 n GLN 547 Ca 0.00 -3.33 -0.01 0.00 -2.00 0.00 0.00 57.00 51.66 1u22 n GLN 547 Cb 0.00 -3.32 -0.00 0.00 -4.06 0.00 0.00 30.24 22.85 1u22 n GLN 547 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1u22 n SER 548 N 7.11 -0.23 0.00 1.69 3.41 -1.26 -5.04 113.62 119.30 1u22 n SER 548 Ca 0.46 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1u22 n SER 548 Cb 0.44 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1u22 n SER 548 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1u22 n THR 550 N -0.13 0.00 -2.08 6.66 5.66 -1.26 -5.15 114.28 117.99 1u22 n THR 550 Ca -0.06 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.70 1u22 n THR 550 Cb 0.53 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.33 1u22 n THR 550 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1u22 n SER 551 N 0.00 4.86 -4.10 1.09 3.41 -1.26 -5.02 113.62 112.60 1u22 n SER 551 Ca 0.00 -3.72 -0.12 0.00 -0.26 0.00 0.00 58.87 54.77 1u22 n SER 551 Cb 0.00 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 63.49 1u22 n SER 551 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u22 s ARG 552 N -3.60 0.64 0.00 4.33 0.52 -1.26 -5.18 118.95 114.40 1u22 s ARG 552 Ca 0.50 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1u22 s ARG 552 Cb 0.41 -0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.65 1u22 s ARG 552 CO 0.02 0.01 0.00 -2.30 0.02 0.00 0.00 175.30 173.05 1u22 n PRO 553 N 0.84 -0.29 -3.55 3.54 -0.02 -1.26 -4.83 135.00 129.44 1u22 n PRO 553 Ca -0.18 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.02 1u22 n PRO 553 Cb 0.57 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.90 1u22 n PRO 553 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1u22 s LYS 555 N -1.50 0.17 0.00 -0.52 1.02 -0.29 -0.84 119.74 117.77 1u22 s LYS 555 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1u22 s LYS 555 Cb 0.00 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 1u22 s LYS 555 CO 0.00 -0.93 0.00 0.41 -0.92 0.00 0.00 175.35 173.91 1u22 n GLY 556 N 5.26 -2.95 0.00 -3.33 0.00 -0.89 -4.63 105.19 98.65 1u22 n GLY 556 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1u22 n GLY 556 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u22 n LEU 558 N 0.00 0.00 -4.28 0.99 4.77 -1.03 -1.83 117.00 115.62 1u22 n LEU 558 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1u22 n LEU 558 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1u22 n LEU 558 CO 0.00 0.00 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.82 1u22 s THR 559 N -2.00 3.43 0.73 -5.08 2.01 -1.26 -2.42 115.64 111.05 1u22 s THR 559 Ca 0.00 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 1u22 s THR 559 Cb 0.00 -2.72 -0.07 0.00 0.01 0.00 0.00 72.50 69.72 1u22 s THR 559 CO 0.00 0.20 0.23 0.61 -0.69 0.00 0.00 174.62 174.97 1u22 n GLY 560 N 4.78 -2.26 0.00 4.40 0.00 0.21 -4.83 105.19 107.48 1u22 n GLY 560 Ca -0.16 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1u22 n GLY 560 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u22 n PRO 561 N 0.05 0.14 -0.01 1.61 -0.04 -1.26 -3.10 135.00 132.38 1u22 n PRO 561 Ca 0.08 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 1u22 n PRO 561 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 1u22 n PRO 561 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1u22 h VAL 562 N 0.00 1.28 0.53 0.52 2.07 -1.90 -3.04 116.25 115.71 1u22 h VAL 562 Ca 0.00 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.09 1u22 h VAL 562 Cb 0.34 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1u22 h VAL 562 CO 0.00 0.65 -0.44 0.74 0.02 0.00 0.00 177.57 178.53 1u22 h THR 563 N -0.52 0.00 -0.99 2.57 2.02 -1.70 -0.70 112.91 113.58 1u22 h THR 563 Ca -0.21 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.13 1u22 h THR 563 Cb 1.55 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.80 1u22 h THR 563 CO 0.04 0.00 -0.37 0.40 0.37 0.00 0.00 175.52 175.97 1u22 h ILE 564 N -0.95 0.00 0.64 3.11 2.04 -1.70 0.70 117.51 121.35 1u22 h ILE 564 Ca -0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1u22 h ILE 564 Cb 0.80 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1u22 h ILE 564 CO -0.00 0.00 -0.50 0.25 0.00 0.00 0.00 178.15 177.89 1u22 h LEU 565 N -0.00 -1.33 0.06 1.44 5.85 -1.37 -3.22 115.31 116.74 1u22 h LEU 565 Ca 0.37 0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1u22 h LEU 565 Cb 0.62 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1u22 h LEU 565 CO -0.99 -0.71 -0.50 0.78 -0.34 0.00 0.00 178.44 176.68 1u22 h ASN 566 N -1.11 -1.52 0.00 1.25 2.35 0.27 -3.11 115.58 113.71 1u22 h ASN 566 Ca -0.08 0.16 -0.66 0.00 -0.55 0.00 0.00 56.30 55.17 1u22 h ASN 566 Cb 0.92 0.57 -0.00 0.00 0.05 0.00 0.00 38.32 39.86 1u22 h ASN 566 CO 0.02 -0.51 3.08 0.79 -1.65 0.00 0.00 177.43 179.16 1u22 n TRP 567 N -5.25 2.80 0.00 1.19 8.01 0.10 -4.74 117.44 119.55 1u22 n TRP 567 Ca -0.07 -2.69 0.00 0.00 -1.31 0.00 0.00 57.50 53.43 1u22 n TRP 567 Cb 0.38 -2.30 0.00 0.00 -2.01 0.00 0.00 31.31 27.37 1u22 n TRP 567 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1u22 n SER 568 N 5.70 0.00 -4.56 -0.99 2.88 -1.18 -4.35 113.62 111.13 1u22 n SER 568 Ca 0.56 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.69 1u22 n SER 568 Cb 0.34 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 1u22 n SER 568 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1u22 s PHE 569 N -1.76 2.47 0.40 0.66 0.08 -0.05 -4.92 117.98 114.87 1u22 s PHE 569 Ca 0.00 -0.66 -0.25 0.00 0.12 0.00 0.00 56.93 56.14 1u22 s PHE 569 Cb 0.00 -4.68 -0.09 0.00 -0.57 0.00 0.00 43.02 37.68 1u22 s PHE 569 CO 0.00 -1.97 1.10 0.08 -0.10 0.00 0.00 175.22 174.33 1u22 s VAL 570 N 5.16 3.49 0.31 -0.44 1.01 -1.26 -2.01 120.40 126.65 1u22 s VAL 570 Ca 0.44 1.18 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 1u22 s VAL 570 Cb -0.02 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 1u22 s VAL 570 CO -0.04 0.05 1.44 0.00 0.00 0.00 0.00 175.10 176.55 1u22 s ARG 571 N -2.40 4.23 -0.17 2.72 1.70 -1.12 -4.93 118.95 118.98 1u22 s ARG 571 Ca 0.57 2.39 0.03 0.00 -0.47 0.00 0.00 55.73 58.25 1u22 s ARG 571 Cb -0.26 -3.05 0.32 0.00 -0.57 0.00 0.00 34.95 31.40 1u22 s ARG 571 CO 0.32 -0.42 1.30 0.27 -1.08 0.00 0.00 175.30 175.69 1u22 n ASN 572 N 1.43 3.28 -0.02 -2.89 6.94 -1.26 -4.01 115.26 118.71 1u22 n ASN 572 Ca 0.04 -2.62 0.02 0.00 -0.02 0.00 0.00 54.58 51.99 1u22 n ASN 572 Cb 0.40 -0.63 -0.09 0.00 -2.36 0.00 0.00 39.78 37.10 1u22 n ASN 572 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1u22 n ASP 573 N -0.07 2.30 -4.00 0.53 5.68 -1.26 -5.01 116.55 114.73 1u22 n ASP 573 Ca 0.22 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.37 1u22 n ASP 573 Cb 0.92 1.27 -0.13 0.00 -1.14 0.00 0.00 41.12 42.03 1u22 n ASP 573 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1u22 s GLN 574 N -2.62 0.44 0.27 0.11 -2.07 -1.26 -5.13 119.66 109.40 1u22 s GLN 574 Ca -0.05 -0.43 -0.29 0.00 -1.82 0.00 0.00 55.36 52.78 1u22 s GLN 574 Cb 0.06 -0.32 -0.14 0.00 -1.09 0.00 0.00 33.01 31.52 1u22 s GLN 574 CO 0.48 0.07 0.99 -2.30 -1.32 0.00 0.00 175.29 173.21 1u22 n PRO 575 N 2.30 1.22 -0.02 9.60 -0.02 -1.26 -4.82 135.00 142.00 1u22 n PRO 575 Ca -0.17 0.43 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 1u22 n PRO 575 Cb 0.57 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1u22 n PRO 575 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u22 n ARG 576 N 0.87 -0.02 -0.32 -0.52 1.74 -1.26 -1.69 116.66 115.46 1u22 n ARG 576 Ca 0.11 0.82 0.10 0.00 -0.77 0.00 0.00 57.85 58.11 1u22 n ARG 576 Cb 0.31 -1.23 0.22 0.00 -1.02 0.00 0.00 32.46 30.73 1u22 n ARG 576 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 1u22 h HIS 577 N 0.00 -0.13 -1.01 -1.55 2.07 -1.97 0.45 115.15 113.01 1u22 h HIS 577 Ca 0.01 0.07 0.23 0.00 -2.85 0.00 0.00 60.37 57.83 1u22 h HIS 577 Cb 0.02 0.21 -0.12 0.00 2.57 0.00 0.00 27.41 30.09 1u22 h HIS 577 CO -0.75 -0.37 0.60 1.49 -3.07 0.00 0.00 177.93 175.83 1u22 h GLU 578 N 0.04 0.60 0.20 5.12 4.81 -1.67 1.88 114.58 125.55 1u22 h GLU 578 Ca 0.52 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 59.40 1u22 h GLU 578 Cb 0.98 -0.13 0.03 0.00 0.63 0.00 0.00 28.75 30.26 1u22 h GLU 578 CO -0.86 0.40 -1.34 1.15 -0.73 0.00 0.00 179.01 177.63 1u22 h THR 579 N 0.62 1.30 -0.28 0.32 2.02 -0.23 -2.85 112.91 113.80 1u22 h THR 579 Ca 0.63 -2.59 0.05 0.00 0.77 0.00 0.00 66.41 65.27 1u22 h THR 579 Cb 1.16 2.93 -0.05 0.00 -1.74 0.00 0.00 68.15 70.45 1u22 h THR 579 CO -0.45 0.78 -0.06 0.00 0.37 0.00 0.00 175.52 176.17 1u22 h TYR 581 N 0.02 -0.03 -0.87 0.00 0.05 0.26 0.18 116.97 116.57 1u22 h TYR 581 Ca 0.13 0.01 0.21 0.00 0.05 0.00 0.00 58.73 59.13 1u22 h TYR 581 Cb 0.20 0.02 -0.12 0.00 1.01 0.00 0.00 36.73 37.84 1u22 h TYR 581 CO -0.26 -0.03 0.36 1.96 -1.05 0.00 0.00 178.16 179.14 1u22 h GLN 582 N 0.01 0.38 -0.58 4.88 4.20 -1.18 0.59 115.11 123.40 1u22 h GLN 582 Ca 0.04 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1u22 h GLN 582 Cb 0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1u22 h GLN 582 CO -0.07 0.25 -0.03 0.82 -0.67 0.00 0.00 178.83 179.13 1u22 h ILE 583 N 0.39 1.27 -0.63 2.54 2.04 -0.41 -1.88 117.51 120.83 1u22 h ILE 583 Ca 0.53 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1u22 h ILE 583 Cb 0.98 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1u22 h ILE 583 CO -0.52 0.42 0.42 0.00 0.00 0.00 0.00 178.15 178.47 1u22 h ALA 584 N 1.00 0.80 -0.42 1.87 0.00 0.30 -2.21 119.26 120.60 1u22 h ALA 584 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1u22 h ALA 584 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1u22 h ALA 584 CO 0.04 0.23 0.14 -0.07 0.00 0.00 0.00 179.25 179.59 1u22 h LEU 585 N 0.86 0.61 -1.04 0.00 4.07 -0.37 -1.94 115.31 117.49 1u22 h LEU 585 Ca 0.23 -0.20 0.12 0.00 0.08 0.00 0.00 57.88 58.12 1u22 h LEU 585 Cb -0.10 -0.16 -0.08 0.00 1.08 0.00 0.00 40.66 41.40 1u22 h LEU 585 CO -0.05 0.64 0.63 0.00 -1.08 0.00 0.00 178.44 178.58 1u22 h ALA 586 N 0.99 1.55 -0.37 1.53 0.00 -0.95 -1.78 119.26 120.23 1u22 h ALA 586 Ca 0.14 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1u22 h ALA 586 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u22 h ALA 586 CO -0.01 0.20 -0.39 0.82 0.00 0.00 0.00 179.25 179.88 1u22 h ILE 587 N 0.97 1.27 -1.12 0.00 1.08 -1.01 -3.06 117.51 115.65 1u22 h ILE 587 Ca 0.49 -1.56 0.32 0.00 -0.39 0.00 0.00 64.86 63.73 1u22 h ILE 587 Cb 0.51 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1u22 h ILE 587 CO -0.26 0.52 1.18 0.50 -0.69 0.00 0.00 178.15 179.39 1u22 h LYS 588 N 0.73 0.00 0.00 2.37 3.64 -0.54 -1.91 116.57 120.86 1u22 h LYS 588 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1u22 h LYS 588 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1u22 h LYS 588 CO 0.09 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.02 1u22 n ASP 589 N -3.40 0.00 0.18 4.20 9.92 -1.16 -2.78 116.55 123.52 1u22 n ASP 589 Ca 0.25 0.44 0.02 0.00 -0.53 0.00 0.00 54.79 54.97 1u22 n ASP 589 Cb 1.52 -0.25 0.13 0.00 -0.64 0.00 0.00 41.12 41.88 1u22 n ASP 589 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1u22 h GLU 590 N 0.00 0.00 0.05 -1.24 4.39 -1.52 1.17 114.58 117.43 1u22 h GLU 590 Ca 0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 1u22 h GLU 590 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1u22 h GLU 590 CO 0.00 0.00 -1.00 0.28 -1.16 0.00 0.00 179.01 177.13 1u22 h VAL 591 N 0.00 1.20 -0.04 3.13 2.07 -1.56 -2.73 116.25 118.32 1u22 h VAL 591 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1u22 h VAL 591 Cb 1.25 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1u22 h VAL 591 CO 0.00 0.56 0.00 -0.62 0.02 0.00 0.00 177.57 177.53 1u22 n GLU 592 N -4.26 1.10 -0.03 1.57 1.02 0.39 -1.95 120.64 118.48 1u22 n GLU 592 Ca -0.23 -0.16 -0.03 0.00 -0.02 0.00 0.00 57.16 56.71 1u22 n GLU 592 Cb 0.73 -1.08 -0.05 0.00 -0.02 0.00 0.00 31.44 31.02 1u22 n GLU 592 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1u22 n ASP 593 N -0.41 3.41 0.07 1.62 9.92 -0.23 -3.08 116.55 127.84 1u22 n ASP 593 Ca 0.04 -0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.42 1u22 n ASP 593 Cb 0.05 0.59 0.48 0.00 -0.64 0.00 0.00 41.12 41.60 1u22 n ASP 593 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1u22 n LEU 594 N -2.28 0.49 -0.03 0.64 4.77 -1.03 0.12 117.00 119.67 1u22 n LEU 594 Ca -0.11 0.55 -0.01 0.00 -0.03 0.00 0.00 56.01 56.42 1u22 n LEU 594 Cb 0.71 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1u22 n LEU 594 CO 0.13 -0.15 -0.07 -0.08 -1.33 0.00 0.00 177.39 175.89 1u22 h GLU 595 N 0.00 0.00 -0.69 3.23 4.81 -1.56 1.35 114.58 121.72 1u22 h GLU 595 Ca 0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1u22 h GLU 595 Cb 0.61 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.91 1u22 h GLU 595 CO 0.00 0.00 0.28 0.87 -0.73 0.00 0.00 179.01 179.43 1u22 h LYS 596 N -0.61 0.44 -0.76 1.92 1.57 -1.53 0.46 116.57 118.07 1u22 h LYS 596 Ca 0.00 -0.03 0.22 0.00 -1.87 0.00 0.00 60.65 58.97 1u22 h LYS 596 Cb 0.11 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1u22 h LYS 596 CO 0.00 0.29 0.55 0.78 -0.57 0.00 0.00 179.45 180.51 1u22 h GLY 597 N 0.46 0.00 0.00 3.86 0.00 0.79 -3.45 103.07 104.73 1u22 h GLY 597 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1u22 h GLY 597 CO -0.35 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.80 1u22 n GLY 598 N -1.68 1.47 3.62 4.60 0.00 0.16 -4.98 105.19 108.38 1u22 n GLY 598 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1u22 n GLY 598 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u22 s ILE 599 N -2.00 4.95 0.00 -0.61 1.09 0.46 -4.99 121.20 120.11 1u22 s ILE 599 Ca 0.00 1.15 0.00 0.00 -1.10 0.00 0.00 60.65 60.70 1u22 s ILE 599 Cb 0.00 -3.97 0.00 0.00 -1.06 0.00 0.00 42.46 37.43 1u22 s ILE 599 CO 0.00 -0.02 0.25 0.61 -0.10 0.00 0.00 174.94 175.68 1u22 n GLY 600 N 4.15 -1.15 3.76 6.18 0.00 -1.26 -4.29 105.19 112.58 1u22 n GLY 600 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1u22 n GLY 600 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u22 s VAL 601 N -0.50 3.32 -0.10 1.61 1.01 -1.26 -3.62 120.40 120.86 1u22 s VAL 601 Ca 0.00 1.27 -0.04 0.00 0.00 0.00 0.00 61.98 63.21 1u22 s VAL 601 Cb 0.00 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1u22 s VAL 601 CO 0.00 0.26 0.22 -0.63 0.00 0.00 0.00 175.10 174.95 1u22 s ILE 602 N -1.23 -0.23 -0.28 2.22 1.01 0.29 -2.10 121.20 120.88 1u22 s ILE 602 Ca 0.48 0.25 -0.10 0.00 0.00 0.00 0.00 60.65 61.28 1u22 s ILE 602 Cb -0.32 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1u22 s ILE 602 CO 0.42 0.10 0.16 -1.58 0.00 0.00 0.00 174.94 174.04 1u22 s GLN 603 N 1.91 3.77 -0.15 2.79 0.74 -0.76 -0.74 119.66 127.22 1u22 s GLN 603 Ca -0.03 -0.43 -0.06 0.00 0.05 0.00 0.00 55.36 54.90 1u22 s GLN 603 Cb -0.12 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 1u22 s GLN 603 CO -0.08 -0.23 0.05 0.42 -0.55 0.00 0.00 175.29 174.91 1u22 s ILE 604 N 1.70 4.68 -0.03 -2.34 1.01 0.46 -2.46 121.20 124.22 1u22 s ILE 604 Ca 0.07 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1u22 s ILE 604 Cb -0.16 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 1u22 s ILE 604 CO 0.08 0.51 -0.19 1.51 0.00 0.00 0.00 174.94 176.85 1u22 s ASP 605 N -0.01 3.64 -0.59 3.58 3.84 -1.01 -0.67 116.67 125.44 1u22 s ASP 605 Ca 0.05 -0.32 0.06 0.00 -0.00 0.00 0.00 52.55 52.34 1u22 s ASP 605 Cb -0.12 -0.64 0.20 0.00 -1.38 0.00 0.00 42.92 40.98 1u22 s ASP 605 CO 0.01 0.33 0.55 -0.62 -0.00 0.00 0.00 175.17 175.44 1u22 n GLU 606 N 2.30 1.61 -0.16 2.11 -0.58 0.17 0.64 120.64 126.73 1u22 n GLU 606 Ca -0.17 -4.15 -0.09 0.00 -0.42 0.00 0.00 57.16 52.33 1u22 n GLU 606 Cb 0.52 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1u22 n GLU 606 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u22 h ALA 607 N 4.88 0.62 -1.90 0.62 0.00 -1.96 -3.31 119.26 118.22 1u22 h ALA 607 Ca 0.18 -0.19 -0.73 0.00 0.00 0.00 0.00 54.91 54.17 1u22 h ALA 607 Cb 0.77 -0.18 -0.33 0.00 0.00 0.00 0.00 17.79 18.05 1u22 h ALA 607 CO 0.66 0.28 0.32 0.00 0.00 0.00 0.00 179.25 180.51 1u22 n ALA 608 N -2.36 5.03 -0.04 0.00 0.00 -1.26 -3.93 120.51 117.94 1u22 n ALA 608 Ca 0.01 -4.75 -0.19 0.00 0.00 0.00 0.00 53.44 48.51 1u22 n ALA 608 Cb 0.20 -1.76 -0.13 0.00 0.00 0.00 0.00 19.45 17.75 1u22 n ALA 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u22 n LEU 609 N 0.73 2.59 0.12 0.00 7.94 -1.24 -4.10 117.00 123.04 1u22 n LEU 609 Ca 0.32 0.11 0.12 0.00 -1.11 0.00 0.00 56.01 55.45 1u22 n LEU 609 Cb 0.34 -0.95 0.22 0.00 0.53 0.00 0.00 43.42 43.57 1u22 n LEU 609 CO 0.56 0.85 0.60 -0.09 -1.11 0.00 0.00 177.39 178.20 1u22 h ARG 610 N 0.04 0.00 -0.89 1.96 2.43 -1.90 -3.36 114.38 112.67 1u22 h ARG 610 Ca -0.47 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.77 1u22 h ARG 610 Cb 2.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.48 1u22 h ARG 610 CO 0.03 0.00 0.55 1.49 -1.51 0.00 0.00 179.97 180.53 1u22 h GLU 611 N 0.00 0.97 -0.85 0.20 4.57 -1.91 -1.93 114.58 115.62 1u22 h GLU 611 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1u22 h GLU 611 Cb 0.85 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1u22 h GLU 611 CO 0.00 0.64 0.00 0.41 -1.18 0.00 0.00 179.01 178.88 1u22 n GLY 612 N -1.33 1.69 3.67 1.92 0.00 -1.26 -4.89 105.19 104.99 1u22 n GLY 612 Ca 0.13 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1u22 n GLY 612 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u22 s LEU 613 N -0.65 4.27 0.49 0.99 1.43 -0.73 -4.99 118.68 119.50 1u22 s LEU 613 Ca 0.12 2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 55.00 1u22 s LEU 613 Cb 0.09 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 1u22 s LEU 613 CO 0.04 -0.80 1.38 -2.84 0.23 0.00 0.00 176.35 174.36 1u22 s PRO 614 N 3.31 3.48 0.44 1.29 0.02 -1.26 -4.86 135.00 137.42 1u22 s PRO 614 Ca 0.64 2.30 0.24 0.00 0.02 0.00 0.00 61.00 64.20 1u22 s PRO 614 Cb -0.29 -2.49 0.93 0.00 0.02 0.00 0.00 34.50 32.68 1u22 s PRO 614 CO 0.24 -0.94 1.83 -0.07 -0.33 0.00 0.00 177.00 177.73 1u22 h LEU 615 N 1.98 0.00 -9.06 -5.54 3.38 -1.94 -3.42 115.31 100.71 1u22 h LEU 615 Ca -0.51 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.87 1u22 h LEU 615 Cb 1.28 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 1u22 h LEU 615 CO 0.60 0.23 0.56 -0.60 0.09 0.00 0.00 178.44 179.32 1u22 s ARG 616 N -3.69 4.22 0.19 1.13 6.06 -1.26 -4.66 118.95 120.94 1u22 s ARG 616 Ca 0.00 1.07 -0.12 0.00 -2.50 0.00 0.00 55.73 54.19 1u22 s ARG 616 Cb 0.10 -3.64 0.20 0.00 0.06 0.00 0.00 34.95 31.67 1u22 s ARG 616 CO 0.64 -0.54 1.75 0.87 -2.50 0.00 0.00 175.30 175.52 1u22 h LYS 617 N 7.58 0.36 0.00 5.12 1.57 -1.99 -0.72 116.57 128.50 1u22 h LYS 617 Ca -0.22 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1u22 h LYS 617 Cb 1.09 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1u22 h LYS 617 CO 0.90 0.24 0.00 -1.13 -0.57 0.00 0.00 179.45 178.89 1u22 n SER 618 N -5.00 0.00 -0.00 0.86 3.41 -1.26 -1.59 113.62 110.04 1u22 n SER 618 Ca 0.06 -0.31 0.03 0.00 -0.26 0.00 0.00 58.87 58.39 1u22 n SER 618 Cb 0.21 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1u22 n SER 618 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u22 n GLU 619 N -0.70 4.57 -0.21 4.33 1.02 -0.28 -4.61 120.64 124.76 1u22 n GLU 619 Ca 0.02 -0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1u22 n GLU 619 Cb 0.01 -0.81 0.08 0.00 -0.02 0.00 0.00 31.44 30.70 1u22 n GLU 619 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1u22 h HIS 620 N 0.00 0.61 -0.42 -0.32 3.86 -1.30 -2.93 115.15 114.65 1u22 h HIS 620 Ca 0.00 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1u22 h HIS 620 Cb 0.15 -0.18 -0.09 0.00 1.06 0.00 0.00 27.41 28.35 1u22 h HIS 620 CO 0.00 0.29 -0.43 0.00 0.86 0.00 0.00 177.93 178.65 1u22 h ALA 621 N 1.33 -0.42 -0.91 2.45 0.00 -1.82 -1.62 119.26 118.27 1u22 h ALA 621 Ca 0.28 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1u22 h ALA 621 Cb 0.18 0.89 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1u22 h ALA 621 CO -0.18 -0.86 0.60 0.35 0.00 0.00 0.00 179.25 179.17 1u22 h PHE 622 N -0.32 1.13 0.68 0.00 3.57 -1.82 -2.18 116.94 118.00 1u22 h PHE 622 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1u22 h PHE 622 Cb 0.58 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.95 1u22 h PHE 622 CO -0.63 0.69 -0.33 -0.92 -2.23 0.00 0.00 178.31 174.90 1u22 h TYR 623 N 1.20 -0.85 -0.20 0.41 3.20 -1.24 -2.99 116.97 116.50 1u22 h TYR 623 Ca 0.35 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.26 1u22 h TYR 623 Cb -0.08 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1u22 h TYR 623 CO -0.00 -0.53 0.36 -0.07 -1.64 0.00 0.00 178.16 176.29 1u22 h LEU 624 N -1.16 0.00 0.00 2.82 3.38 -1.31 0.06 115.31 119.10 1u22 h LEU 624 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1u22 h LEU 624 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1u22 h LEU 624 CO 0.15 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.01 1u22 n ASP 625 N -3.36 0.00 0.08 -0.43 2.03 -0.82 -1.58 116.55 112.47 1u22 n ASP 625 Ca 0.03 0.40 0.17 0.00 0.52 0.00 0.00 54.79 55.91 1u22 n ASP 625 Cb 0.48 -0.03 0.69 0.00 -0.72 0.00 0.00 41.12 41.55 1u22 n ASP 625 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1u22 h TRP 626 N 0.00 0.00 0.06 -0.67 5.08 -1.42 -1.62 115.95 117.38 1u22 h TRP 626 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 1u22 h TRP 626 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1u22 h TRP 626 CO 0.01 0.00 -0.04 0.00 -1.28 0.00 0.00 178.44 177.13 1u22 h ALA 627 N 1.79 -0.95 0.00 0.11 0.00 -1.04 -0.82 119.26 118.35 1u22 h ALA 627 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1u22 h ALA 627 Cb 0.74 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1u22 h ALA 627 CO -0.00 -0.94 -0.03 0.28 0.00 0.00 0.00 179.25 178.55 1u22 h VAL 628 N -0.09 0.97 -0.08 0.00 2.07 -1.05 -2.54 116.25 115.52 1u22 h VAL 628 Ca -0.01 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1u22 h VAL 628 Cb 0.07 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1u22 h VAL 628 CO 0.01 0.03 -0.01 -0.74 0.02 0.00 0.00 177.57 176.88 1u22 h HIS 629 N 0.00 0.17 -0.32 1.57 6.17 -1.27 -2.82 115.15 118.65 1u22 h HIS 629 Ca -0.00 -0.03 0.09 0.00 0.71 0.00 0.00 60.37 61.14 1u22 h HIS 629 Cb 0.06 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 1u22 h HIS 629 CO 0.00 0.45 0.39 0.77 0.71 0.00 0.00 177.93 180.24 1u22 h SER 630 N -0.15 0.00 -0.07 3.26 0.02 -0.70 0.11 113.55 116.02 1u22 h SER 630 Ca 0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1u22 h SER 630 Cb 0.39 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.93 1u22 h SER 630 CO 0.01 0.00 -0.37 0.15 -1.14 0.00 0.00 176.83 175.48 1u22 h PHE 631 N 0.00 0.50 0.55 3.45 3.57 -1.47 -3.15 116.94 120.39 1u22 h PHE 631 Ca 0.15 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1u22 h PHE 631 Cb 0.93 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 1u22 h PHE 631 CO 0.00 0.98 -0.31 0.00 -2.23 0.00 0.00 178.31 176.74 1u22 h ARG 632 N -0.12 -0.78 0.00 1.11 3.08 -0.70 -1.21 114.38 115.76 1u22 h ARG 632 Ca -0.03 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1u22 h ARG 632 Cb 1.03 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1u22 h ARG 632 CO 0.08 -0.52 0.81 0.82 -1.07 0.00 0.00 179.97 180.09 1u22 h ILE 633 N -0.81 0.00 0.16 2.04 2.04 -1.11 0.48 117.51 120.31 1u22 h ILE 633 Ca -0.07 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.56 1u22 h ILE 633 Cb 0.65 0.11 0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1u22 h ILE 633 CO 0.09 0.00 -1.03 0.74 0.00 0.00 0.00 178.15 177.95 1u22 h THR 634 N 0.00 1.40 -0.40 -0.27 2.02 -1.17 -3.39 112.91 111.09 1u22 h THR 634 Ca 0.00 -2.55 -0.28 0.00 0.77 0.00 0.00 66.41 64.35 1u22 h THR 634 Cb 1.63 3.10 -0.20 0.00 -1.74 0.00 0.00 68.15 70.94 1u22 h THR 634 CO 0.00 0.73 -0.51 -0.46 0.37 0.00 0.00 175.52 175.65 1u22 n ASN 635 N -4.02 3.39 -0.10 4.18 0.23 0.16 -4.09 115.26 115.00 1u22 n ASN 635 Ca -0.16 -3.82 0.13 0.00 -0.53 0.00 0.00 54.58 50.19 1u22 n ASN 635 Cb 0.89 -0.49 0.39 0.00 -2.08 0.00 0.00 39.78 38.49 1u22 n ASN 635 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u22 n GLY 637 N 1.41 4.28 3.91 0.00 0.00 -1.26 -4.15 105.19 109.37 1u22 n GLY 637 Ca 0.10 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 1u22 n GLY 637 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u22 s VAL 638 N -2.85 4.99 0.00 1.61 0.11 -1.23 -4.97 120.40 118.05 1u22 s VAL 638 Ca 0.40 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1u22 s VAL 638 Cb 0.33 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1u22 s VAL 638 CO 0.07 -0.56 0.00 0.00 -3.33 0.00 0.00 175.10 171.28 1u22 n GLN 639 N -1.60 -1.17 -0.00 1.54 1.13 -1.26 -4.94 117.38 111.08 1u22 n GLN 639 Ca -0.01 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.12 1u22 n GLN 639 Cb 0.55 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.79 1u22 n GLN 639 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1u22 n ASP 640 N -2.49 1.04 0.00 1.08 8.00 -1.26 -4.27 116.55 118.66 1u22 n ASP 640 Ca 0.00 -0.42 0.10 0.00 0.71 0.00 0.00 54.79 55.18 1u22 n ASP 640 Cb 0.00 1.37 -0.11 0.00 -0.02 0.00 0.00 41.12 42.37 1u22 n ASP 640 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1u22 n SER 641 N -1.72 0.65 -4.59 -2.24 3.41 -1.26 -3.53 113.62 104.34 1u22 n SER 641 Ca -0.00 -0.59 -0.43 0.00 -0.26 0.00 0.00 58.87 57.59 1u22 n SER 641 Cb 0.33 1.25 -0.03 0.00 -0.26 0.00 0.00 64.21 65.50 1u22 n SER 641 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1u22 s THR 642 N -3.18 4.39 0.13 6.66 2.01 -1.26 -4.37 115.64 120.03 1u22 s THR 642 Ca 0.03 1.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.85 1u22 s THR 642 Cb 0.15 -4.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.11 1u22 s THR 642 CO 0.87 -0.82 0.78 -1.58 -0.69 0.00 0.00 174.62 173.18 1u22 s GLN 643 N 3.96 4.55 -0.07 4.92 0.74 -1.24 -4.77 119.66 127.76 1u22 s GLN 643 Ca 0.42 1.15 0.05 0.00 0.05 0.00 0.00 55.36 57.03 1u22 s GLN 643 Cb -0.09 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.71 1u22 s GLN 643 CO 0.26 0.48 -0.24 0.42 -0.55 0.00 0.00 175.29 175.66 1u22 s ILE 644 N -0.82 2.10 -0.06 -2.34 -1.09 -1.26 -0.54 121.20 117.19 1u22 s ILE 644 Ca 0.37 -1.04 0.05 0.00 -2.23 0.00 0.00 60.65 57.80 1u22 s ILE 644 Cb -0.22 -1.77 -0.02 0.00 -1.58 0.00 0.00 42.46 38.87 1u22 s ILE 644 CO 0.26 0.57 -0.22 -1.00 -1.23 0.00 0.00 174.94 173.31 1u22 s HIS 645 N -0.05 2.50 0.07 3.97 3.76 0.08 -1.44 115.29 124.19 1u22 s HIS 645 Ca -0.07 -0.55 0.08 0.00 -0.15 0.00 0.00 55.06 54.37 1u22 s HIS 645 Cb -0.15 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 1u22 s HIS 645 CO 0.05 -0.10 -0.17 -0.08 -0.85 0.00 0.00 174.74 173.58 1u22 s THR 646 N -0.32 2.86 0.16 1.30 -1.32 -1.15 0.17 115.64 117.35 1u22 s THR 646 Ca 0.01 -1.30 0.05 0.00 -1.21 0.00 0.00 61.69 59.25 1u22 s THR 646 Cb -0.13 -2.26 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 1u22 s THR 646 CO 0.02 0.24 -0.11 -2.28 -2.21 0.00 0.00 174.62 170.28 1u22 s HIS 647 N -1.03 1.38 -0.39 9.09 5.04 0.15 -0.40 115.29 129.14 1u22 s HIS 647 Ca 0.16 -0.70 0.09 0.00 -1.54 0.00 0.00 55.06 53.07 1u22 s HIS 647 Cb -0.11 -0.68 0.27 0.00 0.04 0.00 0.00 32.58 32.11 1u22 s HIS 647 CO 0.08 0.15 0.60 0.00 -2.34 0.00 0.00 174.74 173.23 1u22 s TYR 650 N -1.33 0.05 -1.85 0.00 2.02 -1.26 -4.95 117.35 110.03 1u22 s TYR 650 Ca 0.36 -0.11 0.17 0.00 -0.37 0.00 0.00 57.07 57.12 1u22 s TYR 650 Cb 0.22 -0.06 0.07 0.00 -0.40 0.00 0.00 41.96 41.79 1u22 s TYR 650 CO -0.11 -0.17 0.96 -1.13 -1.57 0.00 0.00 175.55 173.53 1u22 n SER 651 N 2.08 2.06 -3.91 2.29 3.41 -1.26 -2.21 113.62 116.07 1u22 n SER 651 Ca -0.19 -1.53 -0.24 0.00 -0.26 0.00 0.00 58.87 56.65 1u22 n SER 651 Cb 0.57 0.22 -0.17 0.00 -0.26 0.00 0.00 64.21 64.57 1u22 n SER 651 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1u22 s HIS 652 N -1.67 1.16 0.00 7.33 3.76 -1.26 -4.92 115.29 119.69 1u22 s HIS 652 Ca 0.17 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 1u22 s HIS 652 Cb 0.14 -0.98 0.00 0.00 1.11 0.00 0.00 32.58 32.85 1u22 s HIS 652 CO 0.31 -0.34 0.25 1.19 -0.85 0.00 0.00 174.74 175.30 1u22 n PHE 653 N 4.45 0.00 -0.25 1.40 3.01 -1.26 -4.85 117.46 119.95 1u22 n PHE 653 Ca -0.18 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.35 1u22 n PHE 653 Cb 0.51 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.17 1u22 n PHE 653 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1u22 h ASN 654 N 0.00 0.05 -0.32 4.37 4.21 -1.95 1.51 115.58 123.45 1u22 h ASN 654 Ca 0.00 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.66 1u22 h ASN 654 Cb 0.76 0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.14 1u22 h ASN 654 CO 0.00 -0.03 0.00 -0.90 -1.29 0.00 0.00 177.43 175.21 1u22 n ASP 655 N -5.14 2.56 -1.73 5.81 5.75 -1.26 -3.95 116.55 118.60 1u22 n ASP 655 Ca 0.15 -2.21 -0.04 0.00 -0.01 0.00 0.00 54.79 52.68 1u22 n ASP 655 Cb 0.47 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 40.19 1u22 n ASP 655 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u22 n ILE 656 N 0.44 0.00 0.07 2.12 3.06 0.12 -4.96 119.36 120.20 1u22 n ILE 656 Ca 0.13 -0.44 -0.10 0.00 -2.50 0.00 0.00 62.75 59.84 1u22 n ILE 656 Cb 0.49 0.69 0.01 0.00 0.54 0.00 0.00 39.64 41.37 1u22 n ILE 656 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 1u22 h ILE 657 N 4.11 1.41 -0.33 9.51 -0.00 0.18 -3.24 117.51 129.14 1u22 h ILE 657 Ca -0.47 -2.32 -0.01 0.00 -0.00 0.00 0.00 64.86 62.07 1u22 h ILE 657 Cb 1.30 2.27 -0.02 0.00 -0.00 0.00 0.00 36.82 40.37 1u22 h ILE 657 CO -0.22 0.69 0.18 -0.74 -0.00 0.00 0.00 178.15 178.06 1u22 h HIS 658 N 0.21 0.46 -0.12 2.19 2.76 -1.90 -2.34 115.15 116.41 1u22 h HIS 658 Ca -0.04 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1u22 h HIS 658 Cb 1.41 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 1u22 h HIS 658 CO 0.04 0.37 0.08 0.77 -1.30 0.00 0.00 177.93 177.90 1u22 h SER 659 N 0.41 0.06 0.11 3.26 0.02 -1.95 0.13 113.55 115.58 1u22 h SER 659 Ca 0.12 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 1u22 h SER 659 Cb 0.07 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1u22 h SER 659 CO -0.02 0.04 -0.45 0.40 -1.14 0.00 0.00 176.83 175.66 1u22 h ILE 660 N 0.07 1.32 0.00 3.27 5.03 -1.46 -2.68 117.51 123.05 1u22 h ILE 660 Ca 0.05 -1.64 -0.01 0.00 -0.12 0.00 0.00 64.86 63.14 1u22 h ILE 660 Cb 0.13 1.69 -0.00 0.00 -3.03 0.00 0.00 36.82 35.60 1u22 h ILE 660 CO -0.01 0.50 -0.06 0.40 -0.68 0.00 0.00 178.15 178.31 1u22 h ILE 661 N 0.34 0.15 -1.73 -0.67 1.08 -0.33 -3.37 117.51 112.97 1u22 h ILE 661 Ca 0.02 -0.74 -0.77 0.00 -0.39 0.00 0.00 64.86 62.98 1u22 h ILE 661 Cb 0.93 1.65 -0.20 0.00 -3.07 0.00 0.00 36.82 36.12 1u22 h ILE 661 CO 0.08 0.06 1.66 0.47 -0.69 0.00 0.00 178.15 179.73 1u22 n ASP 662 N -3.17 7.67 0.00 1.72 9.92 -0.71 -4.87 116.55 127.12 1u22 n ASP 662 Ca 0.01 -3.44 0.00 0.00 -0.53 0.00 0.00 54.79 50.83 1u22 n ASP 662 Cb 0.37 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1u22 n ASP 662 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1u22 n ASP 664 N 0.76 0.00 -4.82 -2.24 2.03 -1.26 -4.89 116.55 106.12 1u22 n ASP 664 Ca 0.54 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.47 1u22 n ASP 664 Cb 0.26 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.60 1u22 n ASP 664 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u22 s ALA 665 N 0.00 3.62 0.14 -1.67 0.00 -1.26 -4.97 121.76 117.62 1u22 s ALA 665 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 1u22 s ALA 665 Cb 0.00 -2.55 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 1u22 s ALA 665 CO 0.00 0.43 1.39 -0.44 0.00 0.00 0.00 175.76 177.14 1u22 h ASP 666 N 4.49 0.82 -2.28 0.00 3.32 -1.76 -3.42 116.42 117.60 1u22 h ASP 666 Ca -0.50 -0.50 -0.31 0.00 0.02 0.00 0.00 57.03 55.74 1u22 h ASP 666 Cb 1.21 -0.24 -0.34 0.00 0.22 0.00 0.00 39.33 40.18 1u22 h ASP 666 CO 0.63 1.27 -0.62 -0.69 -1.72 0.00 0.00 179.24 178.12 1u22 s VAL 667 N -3.86 -0.39 -0.12 -1.35 1.01 -0.52 0.14 120.40 115.31 1u22 s VAL 667 Ca -0.09 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1u22 s VAL 667 Cb 0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1u22 s VAL 667 CO 0.88 -0.34 0.47 -0.51 0.00 0.00 0.00 175.10 175.60 1u22 s ILE 668 N 2.36 5.20 -0.22 2.22 2.07 0.19 -2.92 121.20 130.09 1u22 s ILE 668 Ca 0.09 0.93 -0.03 0.00 -1.41 0.00 0.00 60.65 60.23 1u22 s ILE 668 Cb -0.15 -3.81 0.00 0.00 0.13 0.00 0.00 42.46 38.64 1u22 s ILE 668 CO -0.23 0.33 -0.06 0.28 -1.91 0.00 0.00 174.94 173.35 1u22 s THR 669 N 0.61 3.14 0.00 4.00 -1.32 0.46 -0.47 115.64 122.06 1u22 s THR 669 Ca 0.25 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1u22 s THR 669 Cb -0.15 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1u22 s THR 669 CO 0.10 0.38 0.00 2.30 -2.21 0.00 0.00 174.62 175.18 1u22 n ILE 670 N 4.75 0.00 -3.54 5.08 -5.35 -1.13 -3.98 119.36 115.19 1u22 n ILE 670 Ca -0.18 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.25 1u22 n ILE 670 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1u22 n ILE 670 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1u22 n GLU 671 N 0.00 1.30 0.00 6.28 2.13 -0.94 -3.81 120.64 125.60 1u22 n GLU 671 Ca 0.00 -0.71 0.00 0.00 0.66 0.00 0.00 57.16 57.11 1u22 n GLU 671 Cb 0.00 0.07 0.00 0.00 0.27 0.00 0.00 31.44 31.78 1u22 n GLU 671 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1u22 n ASN 672 N -2.03 0.00 0.00 4.31 2.85 -1.26 -3.83 115.26 115.30 1u22 n ASN 672 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1u22 n ASN 672 Cb 0.13 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.15 1u22 n ASN 672 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1u22 n SER 673 N 0.00 0.00 -0.65 1.20 2.88 -0.96 -3.63 113.62 112.46 1u22 n SER 673 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1u22 n SER 673 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 1u22 n SER 673 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1u22 n ARG 674 N 0.00 1.44 -1.78 -1.46 1.74 -1.26 -4.89 116.66 110.45 1u22 n ARG 674 Ca 0.00 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.92 1u22 n ARG 674 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1u22 n ARG 674 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1u22 n SER 675 N -1.00 1.63 -4.89 0.55 7.64 -1.24 -5.14 113.62 111.17 1u22 n SER 675 Ca 0.18 -0.98 -0.30 0.00 1.01 0.00 0.00 58.87 58.78 1u22 n SER 675 Cb 0.73 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.97 1u22 n SER 675 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1u22 s ASP 676 N -0.97 5.37 -0.00 6.43 1.01 -1.26 -4.97 116.67 122.28 1u22 s ASP 676 Ca 0.00 1.09 0.22 0.00 0.71 0.00 0.00 52.55 54.56 1u22 s ASP 676 Cb 0.00 -1.86 -0.23 0.00 1.01 0.00 0.00 42.92 41.83 1u22 s ASP 676 CO 0.00 -1.38 0.76 -0.62 0.21 0.00 0.00 175.17 174.14 1u22 n GLU 677 N -3.02 0.29 0.00 8.23 -0.58 -1.26 -4.24 120.64 120.07 1u22 n GLU 677 Ca 0.07 -0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.63 1u22 n GLU 677 Cb 0.57 -1.52 -0.14 0.00 -0.57 0.00 0.00 31.44 29.79 1u22 n GLU 677 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1u22 h LYS 678 N 0.00 0.04 -0.87 3.49 1.57 -1.93 -3.33 116.57 115.54 1u22 h LYS 678 Ca 0.00 -0.07 0.25 0.00 -1.87 0.00 0.00 60.65 58.95 1u22 h LYS 678 Cb 0.72 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1u22 h LYS 678 CO 0.00 0.69 0.62 -0.07 -0.57 0.00 0.00 179.45 180.12 1u22 h LEU 679 N 0.01 0.04 -0.85 2.94 3.38 -1.98 0.56 115.31 119.41 1u22 h LEU 679 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1u22 h LEU 679 Cb 1.98 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1u22 h LEU 679 CO 0.10 0.02 0.02 0.18 0.09 0.00 0.00 178.44 178.84 1u22 n LEU 680 N -4.30 0.33 0.00 1.67 4.77 -1.25 -1.53 117.00 116.68 1u22 n LEU 680 Ca 0.18 0.65 0.04 0.00 -0.03 0.00 0.00 56.01 56.85 1u22 n LEU 680 Cb 0.91 -0.69 0.25 0.00 -2.33 0.00 0.00 43.42 41.56 1u22 n LEU 680 CO 0.38 -0.76 0.60 -1.20 -1.33 0.00 0.00 177.39 175.08 1u22 n SER 681 N -1.95 0.00 0.00 -1.43 7.64 0.19 -2.44 113.62 115.63 1u22 n SER 681 Ca -0.01 -1.47 0.13 0.00 1.01 0.00 0.00 58.87 58.54 1u22 n SER 681 Cb 0.04 0.00 0.80 0.00 -1.01 0.00 0.00 64.21 64.03 1u22 n SER 681 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1u22 n VAL 682 N -0.65 0.00 -0.08 0.44 0.24 -0.58 -2.08 118.33 115.61 1u22 n VAL 682 Ca 0.06 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.19 1u22 n VAL 682 Cb 0.03 -0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 31.81 1u22 n VAL 682 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1u22 n PHE 683 N -0.97 0.00 0.95 6.34 3.72 -1.02 -4.58 117.46 121.90 1u22 n PHE 683 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1u22 n PHE 683 Cb 0.09 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 1u22 n PHE 683 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1u22 n ARG 684 N -3.84 0.95 -3.68 -1.08 5.12 -1.14 0.69 116.66 113.68 1u22 n ARG 684 Ca -0.32 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.43 1u22 n ARG 684 Cb 0.70 -1.34 -0.16 0.00 -1.16 0.00 0.00 32.46 30.49 1u22 n ARG 684 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1u22 s GLU 685 N -0.69 -0.01 0.00 5.56 0.41 -0.88 -4.76 118.70 118.33 1u22 s GLU 685 Ca 0.00 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.01 1u22 s GLU 685 Cb 0.00 -0.36 0.00 0.00 -1.78 0.00 0.00 34.13 31.99 1u22 s GLU 685 CO 0.00 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 174.89 1u22 n GLY 686 N 5.13 0.00 1.10 -1.39 0.00 -1.26 -4.36 105.19 104.41 1u22 n GLY 686 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1u22 n GLY 686 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u22 n VAL 687 N -0.63 0.98 -2.93 1.61 0.31 -1.26 -5.09 118.33 111.32 1u22 n VAL 687 Ca 0.00 0.32 -0.02 0.00 -0.01 0.00 0.00 64.34 64.63 1u22 n VAL 687 Cb 0.15 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1u22 n VAL 687 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1u22 n LYS 688 N -3.41 -1.54 0.20 5.55 4.81 0.22 -4.95 118.16 119.03 1u22 n LYS 688 Ca 0.00 1.62 -0.10 0.00 -0.87 0.00 0.00 58.31 58.96 1u22 n LYS 688 Cb 0.08 -5.54 -0.05 0.00 0.02 0.00 0.00 35.03 29.53 1u22 n LYS 688 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1u22 h TYR 689 N 0.84 -0.67 -4.68 5.64 3.20 -1.88 -3.48 116.97 115.93 1u22 h TYR 689 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1u22 h TYR 689 Cb 0.99 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1u22 h TYR 689 CO 0.16 -0.36 -0.01 0.41 -1.64 0.00 0.00 178.16 176.72 1u22 n GLY 690 N -1.31 -0.97 0.00 1.82 0.00 -1.26 -5.06 105.19 98.41 1u22 n GLY 690 Ca -0.07 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1u22 n GLY 690 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u22 n ALA 691 N -1.51 0.00 -1.11 4.61 0.00 -1.26 -4.62 120.51 116.63 1u22 n ALA 691 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1u22 n ALA 691 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 1u22 n ALA 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u22 n GLY 692 N -0.17 -0.03 3.31 0.00 0.00 0.12 -4.79 105.19 103.63 1u22 n GLY 692 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 1u22 n GLY 692 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u22 s ILE 693 N 3.97 2.01 -0.38 -0.61 1.10 0.99 0.55 121.20 128.83 1u22 s ILE 693 Ca 0.90 -1.15 0.03 0.00 -0.51 0.00 0.00 60.65 59.92 1u22 s ILE 693 Cb -1.18 -1.68 0.16 0.00 0.15 0.00 0.00 42.46 39.90 1u22 s ILE 693 CO 0.56 0.51 0.35 -0.83 -2.11 0.00 0.00 174.94 173.42 1u22 s GLY 694 N -0.75 0.31 0.13 1.50 0.00 0.38 -1.55 107.32 107.34 1u22 s GLY 694 Ca 0.10 -1.40 -0.26 0.00 0.00 0.00 0.00 44.72 43.16 1u22 s GLY 694 CO -0.00 2.53 0.81 -4.14 0.00 0.00 0.00 173.10 172.30 1u22 s PRO 695 N 1.11 4.59 0.25 2.90 0.02 -1.26 -2.85 135.00 139.75 1u22 s PRO 695 Ca 0.20 1.19 -0.31 0.00 0.02 0.00 0.00 61.00 62.11 1u22 s PRO 695 Cb -0.14 -3.31 -0.14 0.00 0.02 0.00 0.00 34.50 30.94 1u22 s PRO 695 CO -0.04 0.44 1.33 0.41 -0.33 0.00 0.00 177.00 178.82 1u22 n GLY 696 N 1.89 0.59 2.54 0.52 0.00 -1.23 -4.70 105.19 104.80 1u22 n GLY 696 Ca -0.04 0.47 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 1u22 n GLY 696 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u22 n VAL 697 N 1.55 1.54 0.00 1.61 0.24 -0.98 -2.25 118.33 120.04 1u22 n VAL 697 Ca 0.11 -5.05 0.00 0.00 -2.04 0.00 0.00 64.34 57.37 1u22 n VAL 697 Cb 0.31 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.46 1u22 n VAL 697 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u22 n TYR 698 N 0.27 0.00 -2.76 6.34 9.36 -1.26 -4.89 117.16 124.22 1u22 n TYR 698 Ca 0.28 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 61.07 1u22 n TYR 698 Cb 0.49 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.17 1u22 n TYR 698 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1u22 s ASP 699 N 0.00 6.66 0.00 2.98 -1.08 -1.26 -3.02 116.67 120.95 1u22 s ASP 699 Ca 0.00 0.50 0.28 0.00 -0.52 0.00 0.00 52.55 52.81 1u22 s ASP 699 Cb 0.00 -2.48 1.12 0.00 -1.46 0.00 0.00 42.92 40.10 1u22 s ASP 699 CO 0.00 -0.97 1.78 2.30 0.52 0.00 0.00 175.17 178.81 1u22 n ILE 700 N 6.20 0.02 1.01 4.11 -6.64 -1.26 -3.19 119.36 119.61 1u22 n ILE 700 Ca 0.08 -0.23 0.11 0.00 -1.77 0.00 0.00 62.75 60.94 1u22 n ILE 700 Cb 0.48 0.37 0.01 0.00 -1.44 0.00 0.00 39.64 39.07 1u22 n ILE 700 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1u22 n HIS 701 N 0.05 0.00 -3.60 4.28 8.25 -1.26 -4.66 115.22 118.28 1u22 n HIS 701 Ca 0.19 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.25 1u22 n HIS 701 Cb 0.32 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.34 1u22 n HIS 701 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1u22 s SER 702 N -2.47 5.65 0.28 0.41 0.15 -1.19 -4.97 113.70 111.55 1u22 s SER 702 Ca 0.19 -2.21 -0.05 0.00 0.70 0.00 0.00 55.95 54.58 1u22 s SER 702 Cb 0.18 -1.97 0.53 0.00 -1.71 0.00 0.00 66.02 63.05 1u22 s SER 702 CO 0.57 -0.59 1.51 -0.81 1.20 0.00 0.00 173.24 175.12 1u22 n PRO 703 N 4.47 -0.08 -1.56 5.44 -0.04 -1.26 -4.61 135.00 137.35 1u22 n PRO 703 Ca -0.02 1.50 -0.54 0.00 -0.04 0.00 0.00 63.50 64.40 1u22 n PRO 703 Cb 0.41 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 1u22 n PRO 703 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1u22 n ARG 704 N -5.54 0.81 -2.10 0.54 1.85 -1.26 -4.82 116.66 106.14 1u22 n ARG 704 Ca 0.18 0.29 -0.37 0.00 -1.00 0.00 0.00 57.85 56.94 1u22 n ARG 704 Cb 0.56 -1.87 0.01 0.00 -1.05 0.00 0.00 32.46 30.11 1u22 n ARG 704 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1u22 s ILE 705 N 0.26 2.76 0.08 8.89 -1.09 -1.26 -4.93 121.20 125.91 1u22 s ILE 705 Ca 0.85 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1u22 s ILE 705 Cb -1.03 -3.28 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1u22 s ILE 705 CO 0.50 -0.02 0.11 -0.81 -1.23 0.00 0.00 174.94 173.49 1u22 n PRO 706 N -0.75 0.68 -4.51 2.79 -0.04 -1.26 -5.07 135.00 126.84 1u22 n PRO 706 Ca 0.09 -0.32 -0.28 0.00 -0.04 0.00 0.00 63.50 62.95 1u22 n PRO 706 Cb 0.47 -0.06 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 1u22 n PRO 706 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1u22 s SER 707 N -1.44 3.07 0.33 3.54 0.01 -1.26 -4.89 113.70 113.05 1u22 s SER 707 Ca 0.07 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.68 1u22 s SER 707 Cb -0.00 -0.22 0.63 0.00 0.21 0.00 0.00 66.02 66.63 1u22 s SER 707 CO 0.05 0.17 1.92 0.28 0.41 0.00 0.00 173.24 176.07 1u22 h SER 708 N 4.21 0.80 -0.25 2.44 0.02 -1.95 -0.34 113.55 118.47 1u22 h SER 708 Ca -0.48 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.31 1u22 h SER 708 Cb 1.16 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1u22 h SER 708 CO 0.41 0.51 -0.51 1.05 -1.14 0.00 0.00 176.83 177.15 1u22 h GLU 709 N 0.90 0.78 -0.57 3.45 4.11 -1.95 -2.83 114.58 118.48 1u22 h GLU 709 Ca 0.37 -0.51 -0.03 0.00 0.07 0.00 0.00 59.36 59.26 1u22 h GLU 709 Cb 0.27 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1u22 h GLU 709 CO -0.14 1.13 0.24 0.93 0.07 0.00 0.00 179.01 181.24 1u22 h GLU 710 N 0.52 0.84 0.55 1.06 5.08 -1.66 -3.22 114.58 117.75 1u22 h GLU 710 Ca 0.01 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1u22 h GLU 710 Cb 1.11 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1u22 h GLU 710 CO 0.11 0.72 -0.26 0.82 -1.00 0.00 0.00 179.01 179.40 1u22 h ILE 711 N 0.78 0.00 0.00 3.13 2.04 -1.17 -3.24 117.51 119.06 1u22 h ILE 711 Ca 0.19 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1u22 h ILE 711 Cb 0.18 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1u22 h ILE 711 CO -0.02 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.14 1u22 n ALA 712 N -2.64 1.25 -0.13 1.87 0.00 -1.07 0.55 120.51 120.34 1u22 n ALA 712 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1u22 n ALA 712 Cb 0.29 -0.91 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 1u22 n ALA 712 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u22 n ASP 713 N -1.09 2.03 0.10 0.00 2.03 -1.22 -3.50 116.55 114.91 1u22 n ASP 713 Ca 0.00 -0.04 -0.04 0.00 0.52 0.00 0.00 54.79 55.23 1u22 n ASP 713 Cb 0.01 -0.47 0.03 0.00 -0.72 0.00 0.00 41.12 39.98 1u22 n ASP 713 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1u22 h ARG 714 N -0.19 0.02 0.00 -0.67 3.08 -1.38 0.15 114.38 115.39 1u22 h ARG 714 Ca -0.58 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1u22 h ARG 714 Cb 1.81 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.86 1u22 h ARG 714 CO -0.15 0.81 0.00 0.28 -1.07 0.00 0.00 179.97 179.83 1u22 n VAL 715 N -3.61 0.00 -0.03 2.04 0.31 0.19 -0.92 118.33 116.31 1u22 n VAL 715 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.30 1u22 n VAL 715 Cb 0.77 -0.59 -0.07 0.00 -0.91 0.00 0.00 33.84 33.04 1u22 n VAL 715 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1u22 n ASN 716 N -0.95 2.92 -1.50 4.52 2.85 -0.41 -4.03 115.26 118.65 1u22 n ASN 716 Ca 0.16 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.61 1u22 n ASN 716 Cb 0.07 0.91 0.00 0.00 1.24 0.00 0.00 39.78 42.01 1u22 n ASN 716 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1u22 n LYS 717 N -2.17 1.07 0.00 1.20 5.02 0.39 -2.19 118.16 121.48 1u22 n LYS 717 Ca -0.10 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1u22 n LYS 717 Cb 0.62 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 1u22 n LYS 717 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1u22 n LEU 719 N 1.31 0.00 -0.78 -0.35 4.77 -1.26 -3.94 117.00 116.75 1u22 n LEU 719 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 1u22 n LEU 719 Cb 0.51 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.77 1u22 n LEU 719 CO 0.03 0.00 0.64 0.00 -1.33 0.00 0.00 177.39 176.73 1u22 n ALA 720 N 0.00 2.27 0.00 -1.18 0.00 -0.93 -4.01 120.51 116.65 1u22 n ALA 720 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1u22 n ALA 720 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1u22 n ALA 720 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u22 n VAL 721 N 0.81 0.00 -1.22 0.00 0.24 -1.25 -5.05 118.33 111.84 1u22 n VAL 721 Ca 0.14 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1u22 n VAL 721 Cb 0.46 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 1u22 n VAL 721 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u22 n LEU 722 N -0.90 0.00 -3.26 1.34 4.77 -1.26 -4.20 117.00 113.49 1u22 n LEU 722 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1u22 n LEU 722 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1u22 n LEU 722 CO 0.00 0.00 -0.18 1.21 -1.33 0.00 0.00 177.39 177.09 1u22 n GLU 723 N 0.00 1.30 -1.42 3.23 4.07 -1.26 -4.87 120.64 121.69 1u22 n GLU 723 Ca 0.00 -3.69 -0.38 0.00 -0.06 0.00 0.00 57.16 53.03 1u22 n GLU 723 Cb 0.00 -1.55 -0.15 0.00 -0.06 0.00 0.00 31.44 29.68 1u22 n GLU 723 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1u22 n GLN 724 N 1.21 0.00 0.00 5.31 0.00 -1.26 -2.64 117.38 120.00 1u22 n GLN 724 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.24 1u22 n GLN 724 Cb 0.49 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 29.33 1u22 n GLN 724 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1u22 n ASN 725 N 9.75 0.00 -0.60 1.69 2.85 -1.26 -4.86 115.26 122.83 1u22 n ASN 725 Ca 0.63 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 55.07 1u22 n ASN 725 Cb 0.03 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.03 1u22 n ASN 725 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1u22 n ILE 726 N 0.00 0.00 -3.73 -1.44 -6.64 -1.08 -4.96 119.36 101.50 1u22 n ILE 726 Ca 0.00 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.63 1u22 n ILE 726 Cb 0.00 0.18 -0.08 0.00 -1.44 0.00 0.00 39.64 38.30 1u22 n ILE 726 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1u22 s LEU 727 N 0.00 4.22 0.21 7.28 2.96 -1.26 -0.01 118.68 132.08 1u22 s LEU 727 Ca 0.00 0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.23 1u22 s LEU 727 Cb 0.00 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1u22 s LEU 727 CO 0.00 0.19 0.02 0.26 -1.32 0.00 0.00 176.35 175.49 1u22 s TRP 728 N 0.31 2.83 -0.47 5.38 0.52 -0.59 -2.82 118.94 124.09 1u22 s TRP 728 Ca 0.08 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.07 1u22 s TRP 728 Cb -0.11 -1.33 0.12 0.00 -1.15 0.00 0.00 33.47 31.00 1u22 s TRP 728 CO -0.02 0.55 0.22 0.08 0.02 0.00 0.00 176.95 177.80 1u22 s VAL 729 N -1.93 2.78 0.21 4.03 1.01 -0.79 -4.56 120.40 121.15 1u22 s VAL 729 Ca 0.29 -2.83 0.03 0.00 0.00 0.00 0.00 61.98 59.48 1u22 s VAL 729 Cb -0.08 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1u22 s VAL 729 CO 0.19 -0.74 -0.02 0.54 0.00 0.00 0.00 175.10 175.08 1u22 s ASN 730 N 0.48 1.72 0.00 3.32 4.22 -1.26 -1.16 114.94 122.25 1u22 s ASN 730 Ca 0.14 -1.18 0.00 0.00 -2.14 0.00 0.00 52.86 49.68 1u22 s ASN 730 Cb -0.23 0.03 0.00 0.00 1.28 0.00 0.00 41.25 42.33 1u22 s ASN 730 CO -0.03 -0.49 0.00 -2.65 -2.04 0.00 0.00 177.10 171.88 1u22 n PRO 731 N -0.36 2.67 0.00 3.55 -0.02 -1.25 -2.31 135.00 137.28 1u22 n PRO 731 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1u22 n PRO 731 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 1u22 n PRO 731 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1u22 n ASP 732 N 0.00 4.35 -3.79 2.55 2.03 -1.17 -2.48 116.55 118.05 1u22 n ASP 732 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1u22 n ASP 732 Cb 0.00 0.36 0.01 0.00 -0.72 0.00 0.00 41.12 40.77 1u22 n ASP 732 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u22 n GLY 734 N -0.75 -2.68 0.90 0.00 0.00 -1.26 -4.71 105.19 96.69 1u22 n GLY 734 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1u22 n GLY 734 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u22 n LEU 735 N 2.26 2.59 -0.27 0.99 4.77 -0.58 -4.53 117.00 122.23 1u22 n LEU 735 Ca 0.11 -1.30 0.19 0.00 -0.03 0.00 0.00 56.01 54.98 1u22 n LEU 735 Cb 0.40 -0.36 0.49 0.00 -2.33 0.00 0.00 43.42 41.62 1u22 n LEU 735 CO 0.55 0.53 1.22 0.50 -1.33 0.00 0.00 177.39 178.86 1u22 h LYS 736 N 2.38 0.43 -0.65 3.23 3.64 -1.74 -2.51 116.57 121.36 1u22 h LYS 736 Ca 0.00 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 1u22 h LYS 736 Cb 0.75 -0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.32 1u22 h LYS 736 CO 0.07 0.29 0.25 0.25 -2.27 0.00 0.00 179.45 178.03 1u22 n THR 737 N -4.55 2.83 -4.38 1.00 -2.24 -1.26 -4.41 114.28 101.27 1u22 n THR 737 Ca 0.21 -2.03 -0.26 0.00 -2.27 0.00 0.00 64.05 59.70 1u22 n THR 737 Cb 0.71 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 1u22 n THR 737 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1u22 s ARG 738 N -3.12 1.39 0.50 -0.78 6.06 -0.95 -5.00 118.95 117.05 1u22 s ARG 738 Ca 0.51 -1.40 -0.09 0.00 -2.50 0.00 0.00 55.73 52.26 1u22 s ARG 738 Cb 0.43 -1.72 -0.05 0.00 0.06 0.00 0.00 34.95 33.67 1u22 s ARG 738 CO 0.09 0.39 0.85 0.21 -2.50 0.00 0.00 175.30 174.33 1u22 s LYS 739 N -2.38 3.64 0.41 5.12 2.36 -1.26 -4.49 119.74 123.14 1u22 s LYS 739 Ca 0.16 0.44 0.09 0.00 -2.55 0.00 0.00 55.97 54.11 1u22 s LYS 739 Cb -0.09 -2.30 0.88 0.00 -1.05 0.00 0.00 37.83 35.28 1u22 s LYS 739 CO 0.07 -0.25 2.02 1.88 1.55 0.00 0.00 175.35 180.62 1u22 h TYR 740 N 0.40 0.54 0.00 4.03 0.05 -1.95 -0.82 116.97 119.23 1u22 h TYR 740 Ca -0.46 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.26 1u22 h TYR 740 Cb 1.20 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 1u22 h TYR 740 CO 0.61 0.31 -0.33 1.79 -1.05 0.00 0.00 178.16 179.48 1u22 h THR 741 N 0.56 0.87 0.00 -2.88 1.35 -2.00 0.16 112.91 110.97 1u22 h THR 741 Ca 0.22 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1u22 h THR 741 Cb 0.17 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1u22 h THR 741 CO -0.06 0.33 -0.53 -0.33 -0.25 0.00 0.00 175.52 174.68 1u22 h GLU 742 N 0.00 0.00 0.00 4.72 5.08 -1.51 -3.38 114.58 119.49 1u22 h GLU 742 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1u22 h GLU 742 Cb 0.79 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1u22 h GLU 742 CO 0.04 0.00 -1.96 1.33 -1.00 0.00 0.00 179.01 177.42 1u22 n VAL 743 N -2.80 0.97 0.39 3.13 0.24 -0.64 -4.20 118.33 115.42 1u22 n VAL 743 Ca 0.02 -0.55 -0.19 0.00 -2.04 0.00 0.00 64.34 61.58 1u22 n VAL 743 Cb 0.53 -0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 32.08 1u22 n VAL 743 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1u22 h LYS 744 N 0.00 -1.07 -0.42 7.34 1.57 -0.86 0.25 116.57 123.38 1u22 h LYS 744 Ca -0.38 0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 1u22 h LYS 744 Cb 1.81 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 34.34 1u22 h LYS 744 CO 0.00 -0.71 0.07 -1.00 -0.57 0.00 0.00 179.45 177.24 1u22 h PRO 745 N -1.11 0.64 0.29 3.15 0.13 -1.81 -2.97 132.00 130.33 1u22 h PRO 745 Ca -0.09 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1u22 h PRO 745 Cb 0.90 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1u22 h PRO 745 CO 0.08 0.62 -0.24 0.00 -0.23 0.00 0.00 178.00 178.22 1u22 h ALA 746 N 1.45 -0.99 -0.39 -0.56 0.00 -1.61 -2.80 119.26 114.36 1u22 h ALA 746 Ca 0.14 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1u22 h ALA 746 Cb 0.29 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1u22 h ALA 746 CO 0.00 -0.99 0.05 -0.07 0.00 0.00 0.00 179.25 178.24 1u22 h LEU 747 N -0.52 -0.06 -0.98 0.00 3.38 -0.57 -1.90 115.31 114.66 1u22 h LEU 747 Ca -0.04 0.08 0.32 0.00 0.09 0.00 0.00 57.88 58.33 1u22 h LEU 747 Cb 0.43 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.15 1u22 h LEU 747 CO -0.00 0.01 0.45 0.50 0.09 0.00 0.00 178.44 179.48 1u22 h LYS 748 N 0.16 0.20 -2.12 1.13 3.64 -1.49 -3.00 116.57 115.09 1u22 h LYS 748 Ca 0.19 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1u22 h LYS 748 Cb 0.25 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1u22 h LYS 748 CO -0.28 0.13 -0.12 0.09 -2.27 0.00 0.00 179.45 177.00 1u22 n ASN 749 N -5.17 4.20 0.00 4.20 3.02 -0.72 -3.16 115.26 117.64 1u22 n ASN 749 Ca 0.30 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1u22 n ASN 749 Cb 0.97 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1u22 n ASN 749 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1u22 n VAL 751 N 2.19 0.00 -0.30 2.41 3.14 -1.13 -3.51 118.33 121.12 1u22 n VAL 751 Ca 0.20 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.70 1u22 n VAL 751 Cb 0.59 0.00 0.35 0.00 -1.06 0.00 0.00 33.84 33.72 1u22 n VAL 751 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1u22 h ASP 752 N 0.00 0.72 0.36 6.55 3.32 -1.85 -1.34 116.42 124.18 1u22 h ASP 752 Ca 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1u22 h ASP 752 Cb 0.00 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1u22 h ASP 752 CO 0.00 0.34 -0.43 0.00 -1.72 0.00 0.00 179.24 177.42 1u22 h ALA 753 N 1.60 -1.06 -0.38 3.45 0.00 -1.81 -1.14 119.26 119.92 1u22 h ALA 753 Ca 0.49 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1u22 h ALA 753 Cb 0.75 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 1u22 h ALA 753 CO -0.25 -1.10 -0.21 0.00 0.00 0.00 0.00 179.25 177.69 1u22 h ALA 754 N -0.97 0.05 -0.17 0.00 0.00 -1.65 -0.83 119.26 115.69 1u22 h ALA 754 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u22 h ALA 754 Cb 0.72 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1u22 h ALA 754 CO -0.09 -0.58 0.00 1.63 0.00 0.00 0.00 179.25 180.20 1u22 n LYS 755 N -5.38 0.00 0.00 0.00 5.02 -0.60 0.40 118.16 117.61 1u22 n LYS 755 Ca 0.02 0.92 -0.07 0.00 -2.02 0.00 0.00 58.31 57.15 1u22 n LYS 755 Cb 0.29 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1u22 n LYS 755 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1u22 h LEU 756 N 0.00 -0.81 -0.97 -0.35 5.85 -0.91 0.19 115.31 118.31 1u22 h LEU 756 Ca 0.00 0.09 0.29 0.00 0.84 0.00 0.00 57.88 59.11 1u22 h LEU 756 Cb 0.00 0.31 -0.18 0.00 0.37 0.00 0.00 40.66 41.17 1u22 h LEU 756 CO 0.00 -0.23 0.16 0.40 -0.34 0.00 0.00 178.44 178.43 1u22 h ILE 757 N -0.28 0.07 0.33 4.05 1.08 -0.91 0.46 117.51 122.31 1u22 h ILE 757 Ca 0.01 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1u22 h ILE 757 Cb 0.32 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1u22 h ILE 757 CO -0.20 0.01 -0.16 0.03 -0.69 0.00 0.00 178.15 177.14 1u22 h ARG 758 N 0.04 -0.43 -0.50 2.37 3.08 0.93 -3.25 114.38 116.63 1u22 h ARG 758 Ca 0.64 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.79 1u22 h ARG 758 Cb 1.41 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 31.49 1u22 h ARG 758 CO -0.85 -0.23 -0.23 0.43 -1.07 0.00 0.00 179.97 178.02 1u22 n SER 759 N -5.25 -0.39 0.00 7.04 7.64 0.16 -5.09 113.62 117.73 1u22 n SER 759 Ca -0.10 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1u22 n SER 759 Cb 0.22 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1u22 n SER 759 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03