#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibg s MET 13 N 0.00 0.48 0.59 3.23 -1.94 -1.26 -5.12 119.30 115.28 3ibg s MET 13 Ca 0.00 -0.46 -0.18 0.00 -1.71 0.00 0.00 55.69 53.34 3ibg s MET 13 Cb 0.00 -0.65 -0.11 0.00 2.01 0.00 0.00 34.83 36.08 3ibg s MET 13 CO 0.00 -1.11 0.18 -0.85 -0.01 0.00 0.00 175.02 173.23 3ibg n GLU 14 N 4.80 0.24 -1.02 2.03 0.00 -1.26 -4.47 120.64 120.96 3ibg n GLU 14 Ca 0.05 0.10 -0.23 0.00 0.00 0.00 0.00 57.16 57.07 3ibg n GLU 14 Cb 0.46 -1.40 -0.08 0.00 0.00 0.00 0.00 31.44 30.42 3ibg n GLU 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3ibg n PRO 15 N 0.63 2.55 -3.82 3.44 -0.02 -1.26 -4.40 135.00 132.12 3ibg n PRO 15 Ca 0.09 -1.47 -0.12 0.00 -2.02 0.00 0.00 63.50 59.98 3ibg n PRO 15 Cb 0.48 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 3ibg n PRO 15 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ibg s THR 16 N 1.94 0.03 -0.63 3.45 2.01 -1.26 -4.41 115.64 116.75 3ibg s THR 16 Ca 0.60 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.40 3ibg s THR 16 Cb 0.21 -0.34 0.23 0.00 0.01 0.00 0.00 72.50 72.62 3ibg s THR 16 CO -0.03 -0.13 0.95 0.18 -0.69 0.00 0.00 174.62 174.91 3ibg n LEU 17 N 2.43 2.76 -0.12 4.42 4.77 -0.45 -4.24 117.00 126.57 3ibg n LEU 17 Ca -0.16 -1.40 -0.13 0.00 -0.03 0.00 0.00 56.01 54.29 3ibg n LEU 17 Cb 0.58 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3ibg n LEU 17 CO 0.20 0.43 0.58 -0.61 -1.33 0.00 0.00 177.39 176.66 3ibg h GLN 18 N 0.95 0.90 -0.72 3.23 4.15 -1.89 -2.32 115.11 119.42 3ibg h GLN 18 Ca 0.04 -0.45 0.15 0.00 0.77 0.00 0.00 58.65 59.15 3ibg h GLN 18 Cb 1.07 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.72 3ibg h GLN 18 CO 0.18 1.11 0.48 0.66 -1.93 0.00 0.00 178.83 179.33 3ibg h SER 19 N 0.72 0.34 0.00 -0.69 4.64 -1.98 -0.57 113.55 116.01 3ibg h SER 19 Ca 0.07 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3ibg h SER 19 Cb 0.91 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3ibg h SER 19 CO 0.08 0.18 -0.00 0.40 -0.87 0.00 0.00 176.83 176.62 3ibg h ILE 20 N 0.36 1.70 -0.02 0.95 2.04 -1.83 -3.15 117.51 117.56 3ibg h ILE 20 Ca 0.35 -2.06 0.01 0.00 1.00 0.00 0.00 64.86 64.15 3ibg h ILE 20 Cb 0.85 3.10 -0.00 0.00 -0.74 0.00 0.00 36.82 40.03 3ibg h ILE 20 CO -0.10 0.53 0.16 -0.07 0.00 0.00 0.00 178.15 178.68 3ibg h LEU 21 N -0.88 0.00 0.00 1.44 3.38 -0.84 -0.40 115.31 118.01 3ibg h LEU 21 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ibg h LEU 21 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3ibg h LEU 21 CO 0.00 0.00 -0.92 -1.20 0.09 0.00 0.00 178.44 176.41 3ibg n SER 22 N -3.08 0.72 -4.61 -0.43 7.64 -0.28 -4.78 113.62 108.80 3ibg n SER 22 Ca -0.02 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 3ibg n SER 22 Cb 0.23 0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.89 3ibg n SER 22 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3ibg s GLN 23 N -3.27 3.75 0.00 1.43 -0.21 -0.16 -4.87 119.66 116.33 3ibg s GLN 23 Ca 0.02 1.03 0.27 0.00 0.02 0.00 0.00 55.36 56.70 3ibg s GLN 23 Cb 0.12 -3.94 0.92 0.00 1.00 0.00 0.00 33.01 31.11 3ibg s GLN 23 CO 0.77 -1.33 1.67 1.63 -2.12 0.00 0.00 175.29 175.91 3ibg n LYS 24 N 7.68 1.62 0.00 2.91 5.02 -1.26 -3.59 118.16 130.54 3ibg n LYS 24 Ca 0.15 -1.00 0.11 0.00 -2.02 0.00 0.00 58.31 55.55 3ibg n LYS 24 Cb 0.47 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 34.02 3ibg n LYS 24 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ibg n THR 25 N 0.18 0.00 -2.09 -0.18 -2.24 -1.26 -4.90 114.28 103.79 3ibg n THR 25 Ca 0.18 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 3ibg n THR 25 Cb 0.38 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 3ibg n THR 25 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ibg s LEU 26 N -2.93 4.38 0.00 3.22 1.43 -1.18 -4.25 118.68 119.35 3ibg s LEU 26 Ca 0.10 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 3ibg s LEU 26 Cb 0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3ibg s LEU 26 CO 0.78 -0.69 0.00 0.54 0.23 0.00 0.00 176.35 177.21 3ibg n ARG 27 N 3.50 2.94 -3.99 1.70 1.74 -0.20 -4.72 116.66 117.63 3ibg n ARG 27 Ca 0.11 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.85 3ibg n ARG 27 Cb 0.41 -0.96 -0.15 0.00 -1.02 0.00 0.00 32.46 30.74 3ibg n ARG 27 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3ibg s TRP 28 N -1.93 3.14 -0.39 -1.55 0.52 -0.26 0.88 118.94 119.36 3ibg s TRP 28 Ca 0.00 -1.86 0.04 0.00 0.02 0.00 0.00 56.10 54.30 3ibg s TRP 28 Cb 0.00 -2.02 0.11 0.00 -1.15 0.00 0.00 33.47 30.41 3ibg s TRP 28 CO 0.00 -0.80 0.11 0.42 0.02 0.00 0.00 176.95 176.70 3ibg s ILE 29 N 1.24 2.29 0.66 2.03 1.01 -0.15 -2.18 121.20 126.11 3ibg s ILE 29 Ca -0.03 -2.57 -0.15 0.00 0.00 0.00 0.00 60.65 57.90 3ibg s ILE 29 Cb -0.18 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.62 3ibg s ILE 29 CO -0.05 -0.66 1.12 -0.36 0.00 0.00 0.00 174.94 175.00 3ibg s PHE 30 N 0.61 2.55 -0.05 3.97 0.08 -0.35 -1.38 117.98 123.41 3ibg s PHE 30 Ca 0.13 1.56 -0.02 0.00 0.12 0.00 0.00 56.93 58.71 3ibg s PHE 30 Cb -0.21 -3.21 0.03 0.00 -0.57 0.00 0.00 43.02 39.06 3ibg s PHE 30 CO -0.06 -1.81 0.05 0.08 -0.10 0.00 0.00 175.22 173.38 3ibg s VAL 31 N -2.26 -0.04 0.02 -0.44 1.01 -0.22 -1.55 120.40 116.90 3ibg s VAL 31 Ca 0.68 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 3ibg s VAL 31 Cb -0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3ibg s VAL 31 CO 0.41 0.18 0.01 -0.83 0.00 0.00 0.00 175.10 174.86 3ibg s GLY 32 N 2.14 0.19 0.00 4.51 0.00 -0.41 -2.27 107.32 111.48 3ibg s GLY 32 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.30 3ibg s GLY 32 CO -0.03 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.12 3ibg n GLY 33 N 1.63 1.10 3.85 0.20 0.00 -1.26 -0.70 105.19 110.02 3ibg n GLY 33 Ca -0.23 0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3ibg n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ibg s LYS 34 N 0.00 3.53 0.00 1.61 2.20 -1.26 -4.66 119.74 121.16 3ibg s LYS 34 Ca 0.00 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 3ibg s LYS 34 Cb 0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3ibg s LYS 34 CO 0.00 0.71 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 3ibg n GLY 35 N 2.21 0.87 2.91 5.54 0.00 -1.26 -4.47 105.19 111.00 3ibg n GLY 35 Ca -0.19 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 3ibg n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibg n GLY 36 N -0.26 -0.31 0.28 -0.02 0.00 -1.26 -4.88 105.19 98.73 3ibg n GLY 36 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3ibg n GLY 36 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ibg n VAL 37 N -4.38 0.00 0.00 1.61 0.24 -1.26 -4.87 118.33 109.67 3ibg n VAL 37 Ca -0.07 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3ibg n VAL 37 Cb 0.59 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 3ibg n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ibg n GLY 38 N 1.19 1.77 0.44 7.63 0.00 -1.26 -4.65 105.19 110.31 3ibg n GLY 38 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3ibg n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ibg h LYS 39 N 0.00 -0.97 -0.65 1.61 3.64 -1.89 -1.71 116.57 116.61 3ibg h LYS 39 Ca 0.00 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3ibg h LYS 39 Cb 0.00 0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 3ibg h LYS 39 CO 0.00 -0.64 0.28 1.15 -2.27 0.00 0.00 179.45 177.97 3ibg h THR 40 N -1.00 0.81 -0.78 1.00 2.02 -1.95 0.17 112.91 113.18 3ibg h THR 40 Ca -0.08 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 66.96 3ibg h THR 40 Cb 0.82 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3ibg h THR 40 CO 0.07 0.09 0.51 0.74 0.37 0.00 0.00 175.52 177.31 3ibg h THR 41 N 0.50 1.13 -0.37 3.16 2.02 -1.92 -2.11 112.91 115.31 3ibg h THR 41 Ca 0.32 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 3ibg h THR 41 Cb 0.37 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3ibg h THR 41 CO -0.28 0.18 -0.32 0.74 0.37 0.00 0.00 175.52 176.20 3ibg h THR 42 N 0.97 1.28 -0.73 3.16 2.02 0.23 -1.33 112.91 118.51 3ibg h THR 42 Ca 0.31 -1.48 0.02 0.00 0.77 0.00 0.00 66.41 66.02 3ibg h THR 42 Cb 0.02 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3ibg h THR 42 CO -0.09 0.49 0.47 0.28 0.37 0.00 0.00 175.52 177.05 3ibg h SER 43 N 0.69 0.81 -0.06 4.18 0.02 -0.46 0.40 113.55 119.12 3ibg h SER 43 Ca 0.07 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3ibg h SER 43 Cb 0.87 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 3ibg h SER 43 CO 0.08 0.57 -0.07 0.00 -1.14 0.00 0.00 176.83 176.27 3ibg h SER 45 N -0.30 0.24 0.17 0.00 0.02 -1.09 0.20 113.55 112.79 3ibg h SER 45 Ca 0.01 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3ibg h SER 45 Cb 0.60 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3ibg h SER 45 CO 0.02 0.17 -0.29 0.25 -1.14 0.00 0.00 176.83 175.83 3ibg h LEU 46 N 0.39 0.21 -0.20 5.07 5.85 -0.96 -0.87 115.31 124.79 3ibg h LEU 46 Ca 0.21 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3ibg h LEU 46 Cb 0.18 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3ibg h LEU 46 CO -0.19 0.50 -0.51 0.00 -0.34 0.00 0.00 178.44 177.90 3ibg h ALA 47 N 1.51 0.33 -0.68 1.25 0.00 -0.70 -2.19 119.26 118.79 3ibg h ALA 47 Ca 0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3ibg h ALA 47 Cb 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3ibg h ALA 47 CO 0.05 0.52 0.36 0.82 0.00 0.00 0.00 179.25 180.99 3ibg h ILE 48 N 0.41 1.21 0.00 0.00 2.04 -0.36 -1.11 117.51 119.70 3ibg h ILE 48 Ca -0.01 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3ibg h ILE 48 Cb 1.12 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3ibg h ILE 48 CO 0.11 0.24 -0.07 -0.61 0.00 0.00 0.00 178.15 177.82 3ibg h GLN 49 N 0.93 0.00 0.20 2.37 5.75 -1.16 -2.88 115.11 120.32 3ibg h GLN 49 Ca 0.24 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.42 3ibg h GLN 49 Cb 0.06 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.63 3ibg h GLN 49 CO -0.04 0.07 -1.43 -0.07 -2.65 0.00 0.00 178.83 174.71 3ibg h LEU 50 N 0.00 0.66 -2.10 -2.39 3.38 -0.85 -3.29 115.31 110.71 3ibg h LEU 50 Ca -0.00 -0.74 0.08 0.00 0.09 0.00 0.00 57.88 57.31 3ibg h LEU 50 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3ibg h LEU 50 CO 0.01 1.58 0.23 0.00 0.09 0.00 0.00 178.44 180.35 3ibg h ALA 51 N 0.32 2.08 -0.02 1.53 0.00 -1.00 0.38 119.26 122.55 3ibg h ALA 51 Ca -0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3ibg h ALA 51 Cb 2.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 3ibg h ALA 51 CO 0.24 -0.36 -0.52 0.87 0.00 0.00 0.00 179.25 179.47 3ibg h LYS 52 N 0.00 0.04 0.00 0.00 1.57 -1.62 -3.36 116.57 113.21 3ibg h LYS 52 Ca 0.13 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 3ibg h LYS 52 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3ibg h LYS 52 CO -0.00 0.55 -1.63 0.28 -0.57 0.00 0.00 179.45 178.08 3ibg n VAL 53 N -3.92 0.44 -4.12 0.50 0.31 -0.03 -5.02 118.33 106.49 3ibg n VAL 53 Ca -0.02 -0.37 -0.24 0.00 -0.01 0.00 0.00 64.34 63.71 3ibg n VAL 53 Cb 0.54 -0.36 -0.05 0.00 -0.91 0.00 0.00 33.84 33.05 3ibg n VAL 53 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3ibg s ARG 54 N -2.44 2.84 0.09 5.55 1.81 0.11 -5.04 118.95 121.87 3ibg s ARG 54 Ca -0.05 -1.03 -0.24 0.00 -1.72 0.00 0.00 55.73 52.70 3ibg s ARG 54 Cb 0.05 -2.55 -0.16 0.00 -0.45 0.00 0.00 34.95 31.84 3ibg s ARG 54 CO 0.44 0.43 1.72 -0.22 -0.68 0.00 0.00 175.30 176.98 3ibg h LYS 55 N 1.88 -0.09 -3.30 3.54 3.64 -1.87 -3.43 116.57 116.95 3ibg h LYS 55 Ca -0.48 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.77 3ibg h LYS 55 Cb 1.23 0.02 -0.21 0.00 -0.41 0.00 0.00 32.23 32.86 3ibg h LYS 55 CO 0.61 -0.05 -0.40 -1.54 -2.27 0.00 0.00 179.45 175.81 3ibg s SER 56 N -5.12 -0.07 -0.06 4.20 1.04 -1.26 -4.77 113.70 107.64 3ibg s SER 56 Ca -0.14 -0.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 3ibg s SER 56 Cb 0.06 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.46 3ibg s SER 56 CO 0.66 -0.39 -0.02 -0.69 0.98 0.00 0.00 173.24 173.77 3ibg s VAL 57 N -1.31 0.49 -0.17 5.02 1.01 0.11 -2.41 120.40 123.14 3ibg s VAL 57 Ca -0.14 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3ibg s VAL 57 Cb -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3ibg s VAL 57 CO 0.03 0.26 0.08 -0.22 0.00 0.00 0.00 175.10 175.25 3ibg s LEU 58 N 1.56 3.97 -0.52 3.92 2.96 -0.55 -1.74 118.68 128.28 3ibg s LEU 58 Ca -0.01 0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 3ibg s LEU 58 Cb -0.13 -2.00 0.14 0.00 0.50 0.00 0.00 46.19 44.70 3ibg s LEU 58 CO -0.04 0.23 0.35 -0.22 -1.32 0.00 0.00 176.35 175.35 3ibg s LEU 59 N 0.05 5.42 0.01 -0.68 2.96 0.68 -0.08 118.68 127.05 3ibg s LEU 59 Ca 0.07 -2.34 -0.12 0.00 -0.22 0.00 0.00 54.13 51.52 3ibg s LEU 59 Cb -0.12 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3ibg s LEU 59 CO 0.00 -0.51 0.37 0.27 -1.32 0.00 0.00 176.35 175.16 3ibg s ILE 60 N 0.70 5.12 -0.13 6.68 -4.36 -0.73 -1.51 121.20 126.96 3ibg s ILE 60 Ca 0.11 0.60 0.01 0.00 -0.26 0.00 0.00 60.65 61.12 3ibg s ILE 60 Cb -0.22 -3.65 0.02 0.00 1.25 0.00 0.00 42.46 39.86 3ibg s ILE 60 CO -0.03 0.48 -0.16 -0.55 0.24 0.00 0.00 174.94 174.92 3ibg s SER 61 N -1.32 2.64 0.07 4.36 0.15 -0.39 -0.80 113.70 118.41 3ibg s SER 61 Ca 0.26 -0.48 0.24 0.00 0.70 0.00 0.00 55.95 56.67 3ibg s SER 61 Cb -0.15 -1.18 0.26 0.00 -1.71 0.00 0.00 66.02 63.24 3ibg s SER 61 CO 0.14 -0.00 1.23 0.41 1.20 0.00 0.00 173.24 176.21 3ibg n THR 62 N 4.42 0.22 -1.76 6.45 -1.04 -0.21 -1.42 114.28 120.94 3ibg n THR 62 Ca -0.18 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.20 3ibg n THR 62 Cb 0.51 0.07 -0.03 0.00 -1.82 0.00 0.00 70.33 69.06 3ibg n THR 62 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ibg s ASP 63 N -3.88 6.50 0.50 8.00 -1.08 -1.23 -4.56 116.67 120.92 3ibg s ASP 63 Ca 0.06 2.59 0.27 0.00 -0.52 0.00 0.00 52.55 54.96 3ibg s ASP 63 Cb 0.14 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.39 3ibg s ASP 63 CO 0.75 -1.01 2.00 1.55 0.52 0.00 0.00 175.17 178.98 3ibg h PRO 64 N 10.00 0.00 0.00 4.34 0.13 -1.92 -2.24 132.00 142.30 3ibg h PRO 64 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ibg h PRO 64 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3ibg h PRO 64 CO 0.94 0.14 0.00 0.00 -0.23 0.00 0.00 178.00 178.86 3ibg h ALA 65 N 1.86 1.00 -6.83 -0.56 0.00 -2.00 -3.47 119.26 109.26 3ibg h ALA 65 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3ibg h ALA 65 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.10 3ibg h ALA 65 CO 0.02 0.00 -0.92 0.72 0.00 0.00 0.00 179.25 179.06 3ibg n HIS 66 N -2.61 -1.44 0.34 0.00 8.25 -0.84 -4.79 115.22 114.12 3ibg n HIS 66 Ca 0.03 0.68 0.05 0.00 -0.26 0.00 0.00 57.72 58.22 3ibg n HIS 66 Cb 0.38 -3.16 0.21 0.00 1.12 0.00 0.00 29.99 28.55 3ibg n HIS 66 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ibg n ASN 67 N -2.90 0.00 0.28 0.41 4.13 -1.26 -2.45 115.26 113.47 3ibg n ASN 67 Ca -0.28 0.49 0.13 0.00 1.68 0.00 0.00 54.58 56.60 3ibg n ASN 67 Cb 0.67 -0.50 0.81 0.00 -1.54 0.00 0.00 39.78 39.23 3ibg n ASN 67 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3ibg h LEU 68 N 0.00 0.00 0.00 3.41 5.85 -1.94 -0.76 115.31 121.88 3ibg h LEU 68 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ibg h LEU 68 Cb 0.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3ibg h LEU 68 CO 0.00 0.00 -0.08 0.28 -0.34 0.00 0.00 178.44 178.30 3ibg h SER 69 N 0.00 0.00 -0.44 1.25 0.02 -1.67 -3.22 113.55 109.48 3ibg h SER 69 Ca 0.01 -0.36 0.13 0.00 -0.84 0.00 0.00 61.79 60.72 3ibg h SER 69 Cb 0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3ibg h SER 69 CO -0.00 0.73 0.48 0.44 -1.14 0.00 0.00 176.83 177.33 3ibg h ASP 70 N -1.00 0.00 0.19 3.07 3.32 -1.65 0.24 116.42 120.59 3ibg h ASP 70 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3ibg h ASP 70 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3ibg h ASP 70 CO -0.01 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 177.42 3ibg h ALA 71 N 1.46 -0.25 -0.18 3.45 0.00 -1.25 -3.26 119.26 119.22 3ibg h ALA 71 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ibg h ALA 71 Cb 1.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ibg h ALA 71 CO -0.00 -0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.14 3ibg n PHE 72 N -4.94 0.24 -4.02 0.00 3.72 -0.84 -4.44 117.46 107.18 3ibg n PHE 72 Ca -0.07 -0.12 -0.41 0.00 -0.05 0.00 0.00 57.45 56.80 3ibg n PHE 72 Cb 0.24 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 3ibg n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibg n GLY 73 N 0.97 -0.77 3.51 1.37 0.00 0.80 -4.89 105.19 106.18 3ibg n GLY 73 Ca 0.12 0.34 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 3ibg n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ibg s GLN 74 N -7.11 0.76 -0.20 1.61 0.74 -1.01 -5.03 119.66 109.43 3ibg s GLN 74 Ca 0.42 0.75 -0.27 0.00 0.05 0.00 0.00 55.36 56.31 3ibg s GLN 74 Cb -0.21 0.37 -0.00 0.00 1.10 0.00 0.00 33.01 34.26 3ibg s GLN 74 CO 0.95 -0.12 0.92 0.21 -0.55 0.00 0.00 175.29 176.71 3ibg s LYS 75 N 0.08 4.28 0.16 1.67 2.20 -1.26 -4.34 119.74 122.52 3ibg s LYS 75 Ca -0.02 1.17 0.07 0.00 -0.36 0.00 0.00 55.97 56.83 3ibg s LYS 75 Cb -0.04 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 3ibg s LYS 75 CO 0.02 -0.47 -0.03 -0.06 -0.36 0.00 0.00 175.35 174.45 3ibg s PHE 76 N 2.64 2.80 0.00 4.03 0.08 -1.26 -5.04 117.98 121.23 3ibg s PHE 76 Ca 0.41 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.31 3ibg s PHE 76 Cb -0.16 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 3ibg s PHE 76 CO 0.10 0.50 0.00 0.41 -0.10 0.00 0.00 175.22 176.13 3ibg n GLY 77 N 0.05 5.63 0.00 4.36 0.00 -1.26 -4.80 105.19 109.17 3ibg n GLY 77 Ca -0.10 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.54 3ibg n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ibg n LYS 78 N 0.00 0.06 -3.46 1.61 4.81 -1.25 -0.10 118.16 119.84 3ibg n LYS 78 Ca 0.00 0.04 -0.37 0.00 -0.87 0.00 0.00 58.31 57.11 3ibg n LYS 78 Cb 0.00 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.48 3ibg n LYS 78 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3ibg s GLU 79 N -2.93 4.24 -0.22 1.64 0.41 -1.26 -4.77 118.70 115.81 3ibg s GLU 79 Ca 0.15 0.17 -0.28 0.00 -0.41 0.00 0.00 54.97 54.59 3ibg s GLU 79 Cb 0.17 -3.46 -0.05 0.00 -1.78 0.00 0.00 34.13 29.02 3ibg s GLU 79 CO 0.47 0.14 2.09 0.00 -0.49 0.00 0.00 175.26 177.48 3ibg s ALA 80 N 0.75 2.84 0.29 5.21 0.00 -1.26 -4.70 121.76 124.89 3ibg s ALA 80 Ca 0.18 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.92 3ibg s ALA 80 Cb -0.14 -4.04 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 3ibg s ALA 80 CO 0.06 -2.63 0.29 1.03 0.00 0.00 0.00 175.76 174.51 3ibg s ARG 81 N 6.00 2.93 -0.13 0.00 0.52 -0.80 -4.90 118.95 122.57 3ibg s ARG 81 Ca 0.94 -1.11 -0.22 0.00 -0.52 0.00 0.00 55.73 54.83 3ibg s ARG 81 Cb -0.31 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3ibg s ARG 81 CO 0.35 0.24 0.66 -1.17 0.02 0.00 0.00 175.30 175.40 3ibg s LEU 82 N -3.96 4.23 0.20 2.53 2.96 -1.26 -0.77 118.68 122.61 3ibg s LEU 82 Ca 0.38 1.01 -0.32 0.00 -0.22 0.00 0.00 54.13 54.98 3ibg s LEU 82 Cb -0.07 -2.98 -0.11 0.00 0.50 0.00 0.00 46.19 43.52 3ibg s LEU 82 CO 0.27 -0.19 1.69 -0.69 -1.32 0.00 0.00 176.35 176.11 3ibg s VAL 83 N 1.33 2.18 0.17 1.68 1.01 0.48 -4.88 120.40 122.37 3ibg s VAL 83 Ca 0.33 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 3ibg s VAL 83 Cb -0.17 -3.08 0.07 0.00 0.00 0.00 0.00 36.38 33.21 3ibg s VAL 83 CO 0.14 0.01 1.59 0.44 0.00 0.00 0.00 175.10 177.28 3ibg h ASP 84 N 6.82 -1.16 0.00 3.32 3.32 -1.93 -1.79 116.42 125.00 3ibg h ASP 84 Ca -0.43 0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3ibg h ASP 84 Cb 1.20 0.55 0.00 0.00 0.22 0.00 0.00 39.33 41.30 3ibg h ASP 84 CO 0.95 -0.32 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 3ibg n GLY 85 N -1.42 -0.89 3.37 2.75 0.00 -1.26 -4.87 105.19 102.87 3ibg n GLY 85 Ca 0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 3ibg n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ibg s TYR 86 N -2.00 1.69 -0.00 1.61 2.02 -0.67 -5.06 117.35 114.93 3ibg s TYR 86 Ca 0.00 -0.97 0.00 0.00 -0.37 0.00 0.00 57.07 55.73 3ibg s TYR 86 Cb 0.00 -1.02 -0.01 0.00 -0.40 0.00 0.00 41.96 40.53 3ibg s TYR 86 CO 0.00 -0.07 0.01 -1.13 -1.57 0.00 0.00 175.55 172.79 3ibg n SER 87 N -0.51 4.89 -0.00 2.29 3.41 -1.26 -4.72 113.62 117.71 3ibg n SER 87 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3ibg n SER 87 Cb 0.65 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 3ibg n SER 87 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3ibg n ASN 88 N -1.62 1.77 -4.29 4.04 6.94 -1.26 -5.00 115.26 115.84 3ibg n ASN 88 Ca -0.00 -1.90 -0.35 0.00 -0.02 0.00 0.00 54.58 52.31 3ibg n ASN 88 Cb 0.12 -0.01 -0.14 0.00 -2.36 0.00 0.00 39.78 37.39 3ibg n ASN 88 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3ibg s LEU 89 N -0.91 2.80 0.10 -4.53 2.96 -1.26 0.07 118.68 117.92 3ibg s LEU 89 Ca 0.00 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.56 3ibg s LEU 89 Cb 0.00 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3ibg s LEU 89 CO 0.00 -0.01 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.41 3ibg s SER 90 N 1.43 2.10 0.01 3.68 0.01 -0.71 -0.38 113.70 119.83 3ibg s SER 90 Ca 0.05 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.62 3ibg s SER 90 Cb -0.14 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 3ibg s SER 90 CO -0.04 -0.06 -0.09 0.00 0.41 0.00 0.00 173.24 173.46 3ibg s ALA 91 N -1.60 0.74 0.05 1.44 0.00 0.05 -0.23 121.76 122.22 3ibg s ALA 91 Ca 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3ibg s ALA 91 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3ibg s ALA 91 CO 0.03 0.15 -0.06 0.00 0.00 0.00 0.00 175.76 175.88 3ibg s MET 92 N -0.55 0.58 -0.27 0.00 0.23 -0.57 -1.91 119.30 116.81 3ibg s MET 92 Ca 0.01 -0.92 0.01 0.00 -1.03 0.00 0.00 55.69 53.76 3ibg s MET 92 Cb -0.05 -0.18 0.06 0.00 -1.53 0.00 0.00 34.83 33.13 3ibg s MET 92 CO 0.00 0.01 -0.07 -1.21 -2.03 0.00 0.00 175.02 171.72 3ibg s GLU 93 N -2.32 2.30 0.16 3.16 2.02 0.86 -1.26 118.70 123.62 3ibg s GLU 93 Ca -0.04 -1.33 -0.30 0.00 0.02 0.00 0.00 54.97 53.32 3ibg s GLU 93 Cb -0.05 -2.99 -0.08 0.00 0.10 0.00 0.00 34.13 31.11 3ibg s GLU 93 CO -0.02 -0.59 1.22 0.42 0.02 0.00 0.00 175.26 176.31 3ibg s ILE 94 N 1.15 3.61 -0.07 -1.63 -1.09 -0.51 -3.83 121.20 118.84 3ibg s ILE 94 Ca -0.08 1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 59.52 3ibg s ILE 94 Cb -0.20 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.81 3ibg s ILE 94 CO -0.04 0.17 0.28 -1.81 -1.23 0.00 0.00 174.94 172.32 3ibg s ASP 95 N 0.42 6.59 0.04 3.58 1.01 -1.26 -4.73 116.67 122.31 3ibg s ASP 95 Ca 0.55 0.71 -0.24 0.00 0.71 0.00 0.00 52.55 54.28 3ibg s ASP 95 Cb -0.33 -2.17 -0.16 0.00 1.01 0.00 0.00 42.92 41.28 3ibg s ASP 95 CO 0.35 0.34 1.49 -0.65 0.21 0.00 0.00 175.17 176.91 3ibg h PRO 96 N 5.01 0.07 -4.57 8.23 0.11 -1.96 -3.47 132.00 135.43 3ibg h PRO 96 Ca -0.52 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.31 3ibg h PRO 96 Cb 1.22 -0.01 0.11 0.00 0.11 0.00 0.00 31.00 32.43 3ibg h PRO 96 CO 0.61 0.32 -0.53 0.09 -0.21 0.00 0.00 178.00 178.29 3ibg n ASN 97 N -4.91 -3.46 -4.75 -2.05 5.03 -1.26 -4.62 115.26 99.24 3ibg n ASN 97 Ca -0.07 -0.42 -0.41 0.00 0.87 0.00 0.00 54.58 54.55 3ibg n ASN 97 Cb 0.16 -3.81 -0.04 0.00 -1.02 0.00 0.00 39.78 35.08 3ibg n ASN 97 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3ibg s GLY 98 N -3.64 2.87 0.55 7.41 0.00 -1.26 -3.67 107.32 109.59 3ibg s GLY 98 Ca 0.19 0.96 0.03 0.00 0.00 0.00 0.00 44.72 45.91 3ibg s GLY 98 CO 0.53 1.71 0.77 -1.35 0.00 0.00 0.00 173.10 174.76 3ibg s SER 99 N -0.35 5.19 0.16 1.64 1.04 -1.26 -4.96 113.70 115.15 3ibg s SER 99 Ca 0.49 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.55 3ibg s SER 99 Cb -0.33 -0.57 0.06 0.00 0.10 0.00 0.00 66.02 65.27 3ibg s SER 99 CO 0.40 -1.20 1.72 0.40 0.98 0.00 0.00 173.24 175.54 3ibg h ILE 100 N 0.10 1.22 -0.16 -1.02 2.04 -1.99 -2.00 117.51 115.70 3ibg h ILE 100 Ca -0.39 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3ibg h ILE 100 Cb 1.29 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 3ibg h ILE 100 CO 0.48 0.27 -0.07 1.56 0.00 0.00 0.00 178.15 180.39 3ibg h GLN 101 N 0.75 -0.04 -0.83 2.37 1.08 -1.98 0.09 115.11 116.55 3ibg h GLN 101 Ca 0.18 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.59 3ibg h GLN 101 Cb 0.20 0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 27.51 3ibg h GLN 101 CO -0.01 -0.03 0.13 -0.44 -0.95 0.00 0.00 178.83 177.52 3ibg h ASP 102 N -0.04 -0.17 -0.03 1.46 5.19 -1.85 -0.73 116.42 120.25 3ibg h ASP 102 Ca 0.09 0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.68 3ibg h ASP 102 Cb 0.17 0.31 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 3ibg h ASP 102 CO -0.19 -0.17 -0.04 0.25 -3.12 0.00 0.00 179.24 175.98 3ibg h LEU 103 N 0.16 0.09 -2.33 1.55 5.85 -0.69 -3.12 115.31 116.82 3ibg h LEU 103 Ca 0.49 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3ibg h LEU 103 Cb 0.93 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3ibg h LEU 103 CO -0.66 0.59 0.07 -0.07 -0.34 0.00 0.00 178.44 178.02 3ibg h LEU 104 N -0.41 0.00 0.00 2.25 3.38 -0.32 -2.51 115.31 117.70 3ibg h LEU 104 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ibg h LEU 104 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ibg h LEU 104 CO 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ibg n ALA 105 N -2.36 2.34 -1.37 1.53 0.00 -0.34 -5.09 120.51 115.21 3ibg n ALA 105 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ibg n ALA 105 Cb 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3ibg n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ibg n SER 106 N -1.59 0.00 0.00 0.00 3.41 -0.95 -5.11 113.62 109.39 3ibg n SER 106 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3ibg n SER 106 Cb 0.35 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 3ibg n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibg n GLN 125 N 0.00 0.40 0.00 4.33 6.02 -1.26 -5.11 117.38 121.76 3ibg n GLN 125 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3ibg n GLN 125 Cb 0.00 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3ibg n GLN 125 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3ibg n ASP 126 N -0.52 0.55 -0.95 1.08 5.68 -1.26 -4.77 116.55 116.37 3ibg n ASP 126 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 3ibg n ASP 126 Cb 0.00 0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 3ibg n ASP 126 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ibg n LEU 127 N -0.52 2.55 0.01 -2.12 4.32 -1.26 -3.33 117.00 116.64 3ibg n LEU 127 Ca 0.00 -1.27 0.03 0.00 -0.02 0.00 0.00 56.01 54.75 3ibg n LEU 127 Cb 0.00 -0.45 -0.11 0.00 -1.62 0.00 0.00 43.42 41.24 3ibg n LEU 127 CO 0.00 0.43 -0.54 0.00 -1.22 0.00 0.00 177.39 176.06 3ibg n ALA 128 N 0.50 2.19 -1.45 -1.18 0.00 -1.26 -4.08 120.51 115.23 3ibg n ALA 128 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.72 3ibg n ALA 128 Cb 0.43 -0.78 0.19 0.00 0.00 0.00 0.00 19.45 19.29 3ibg n ALA 128 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ibg n PHE 129 N -2.65 1.49 0.03 0.00 3.72 -1.21 -4.71 117.46 114.12 3ibg n PHE 129 Ca -0.11 -1.71 -0.06 0.00 -0.05 0.00 0.00 57.45 55.51 3ibg n PHE 129 Cb 0.78 -0.58 -0.12 0.00 -0.94 0.00 0.00 39.48 38.62 3ibg n PHE 129 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ibg h SER 130 N 1.06 0.00 -3.38 4.37 4.64 -1.78 -3.45 113.55 115.01 3ibg h SER 130 Ca 0.30 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.03 3ibg h SER 130 Cb 1.82 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.82 3ibg h SER 130 CO 0.54 0.94 0.21 -0.63 -0.87 0.00 0.00 176.83 177.02 3ibg s ILE 131 N -2.70 4.97 0.58 0.95 -1.09 -1.26 -4.97 121.20 117.68 3ibg s ILE 131 Ca -0.01 1.32 -0.19 0.00 -2.23 0.00 0.00 60.65 59.54 3ibg s ILE 131 Cb 0.09 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 3ibg s ILE 131 CO 0.82 0.08 1.18 -2.84 -1.23 0.00 0.00 174.94 172.94 3ibg s PRO 132 N 2.03 3.10 0.68 2.79 0.02 -1.26 -5.01 135.00 137.36 3ibg s PRO 132 Ca 0.32 1.74 -0.06 0.00 0.02 0.00 0.00 61.00 63.02 3ibg s PRO 132 Cb -0.16 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 32.46 3ibg s PRO 132 CO 0.11 -1.08 0.99 0.20 -0.33 0.00 0.00 177.00 176.88 3ibg s GLY 133 N -1.68 1.70 0.20 0.52 0.00 -1.26 -4.93 107.32 101.87 3ibg s GLY 133 Ca 0.75 -0.96 -0.07 0.00 0.00 0.00 0.00 44.72 44.45 3ibg s GLY 133 CO 0.31 -0.57 1.66 -2.08 0.00 0.00 0.00 173.10 172.42 3ibg h VAL 134 N -0.52 1.26 -0.14 1.40 2.07 -1.93 -1.78 116.25 116.62 3ibg h VAL 134 Ca -0.44 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3ibg h VAL 134 Cb 1.31 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3ibg h VAL 134 CO 0.60 0.41 0.04 0.44 0.02 0.00 0.00 177.57 179.08 3ibg h ASP 135 N 0.87 0.21 -0.50 0.57 3.32 -1.94 -0.06 116.42 118.89 3ibg h ASP 135 Ca 0.15 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3ibg h ASP 135 Cb 0.58 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3ibg h ASP 135 CO 0.04 0.37 0.24 -0.08 -1.72 0.00 0.00 179.24 178.09 3ibg h GLU 136 N 0.04 0.71 -0.33 3.56 4.81 -1.62 -0.92 114.58 120.82 3ibg h GLU 136 Ca 0.04 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3ibg h GLU 136 Cb 0.24 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3ibg h GLU 136 CO -0.00 0.59 0.13 0.00 -0.73 0.00 0.00 179.01 179.00 3ibg h ALA 137 N 1.08 0.39 -0.92 2.92 0.00 -1.23 -2.19 119.26 119.32 3ibg h ALA 137 Ca 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ibg h ALA 137 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3ibg h ALA 137 CO -0.02 -0.26 0.57 0.52 0.00 0.00 0.00 179.25 180.05 3ibg h MET 138 N 0.28 1.24 -0.41 0.00 2.86 -0.69 -1.89 114.93 116.32 3ibg h MET 138 Ca 0.15 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3ibg h MET 138 Cb 0.10 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 3ibg h MET 138 CO -0.14 0.85 0.25 1.03 1.06 0.00 0.00 176.91 179.97 3ibg h SER 139 N 1.26 0.48 -0.66 1.22 0.87 -0.76 -1.28 113.55 114.68 3ibg h SER 139 Ca 0.33 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3ibg h SER 139 Cb -0.08 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 3ibg h SER 139 CO -0.06 0.38 0.28 0.15 -0.53 0.00 0.00 176.83 177.05 3ibg h PHE 140 N 0.54 0.99 -0.89 2.24 3.57 -1.07 -1.96 116.94 120.37 3ibg h PHE 140 Ca 0.15 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.62 3ibg h PHE 140 Cb -0.02 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.37 3ibg h PHE 140 CO -0.04 0.77 0.58 0.00 -2.23 0.00 0.00 178.31 177.39 3ibg h ALA 141 N 1.12 1.48 -0.26 2.41 0.00 -1.08 -0.72 119.26 122.21 3ibg h ALA 141 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ibg h ALA 141 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ibg h ALA 141 CO -0.02 0.42 -0.15 0.93 0.00 0.00 0.00 179.25 180.43 3ibg h GLU 142 N 1.07 0.44 -0.09 0.00 4.39 -0.53 -1.98 114.58 117.88 3ibg h GLU 142 Ca 0.36 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.82 3ibg h GLU 142 Cb 0.09 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3ibg h GLU 142 CO -0.12 0.59 -0.39 0.28 -1.16 0.00 0.00 179.01 178.21 3ibg h VAL 143 N 0.41 1.40 -0.57 3.13 2.07 -0.62 -2.33 116.25 119.73 3ibg h VAL 143 Ca 0.07 -1.76 0.12 0.00 0.82 0.00 0.00 66.70 65.96 3ibg h VAL 143 Cb 0.51 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 3ibg h VAL 143 CO 0.03 0.52 0.39 -0.07 0.02 0.00 0.00 177.57 178.46 3ibg h LEU 144 N -0.02 0.21 0.30 2.57 3.38 -1.05 0.41 115.31 121.10 3ibg h LEU 144 Ca -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ibg h LEU 144 Cb 1.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3ibg h LEU 144 CO 0.08 0.12 -0.14 0.50 0.09 0.00 0.00 178.44 179.09 3ibg h LYS 145 N 0.23 -0.38 -0.30 1.13 3.64 -1.15 -2.18 116.57 117.56 3ibg h LYS 145 Ca 0.27 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.75 3ibg h LYS 145 Cb 0.76 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.59 3ibg h LYS 145 CO -0.05 -0.09 -0.22 1.96 -2.27 0.00 0.00 179.45 178.78 3ibg h GLN 146 N -0.68 -0.19 -0.80 1.90 4.20 -0.82 -2.78 115.11 115.94 3ibg h GLN 146 Ca -0.04 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3ibg h GLN 146 Cb 0.47 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 3ibg h GLN 146 CO 0.07 -0.13 0.53 0.28 -0.67 0.00 0.00 178.83 178.91 3ibg h VAL 147 N -0.20 1.08 -0.12 -0.54 2.07 -0.88 -0.38 116.25 117.27 3ibg h VAL 147 Ca 0.16 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3ibg h VAL 147 Cb 0.44 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3ibg h VAL 147 CO -0.41 0.17 -0.32 0.50 0.02 0.00 0.00 177.57 177.53 3ibg h LYS 148 N 0.92 0.24 -0.33 1.57 3.64 -1.12 -2.73 116.57 118.75 3ibg h LYS 148 Ca 0.34 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3ibg h LYS 148 Cb 0.15 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3ibg h LYS 148 CO -0.11 0.54 -0.14 0.77 -2.27 0.00 0.00 179.45 178.24 3ibg h SER 149 N 0.21 0.57 0.69 4.20 0.02 -0.87 -2.79 113.55 115.58 3ibg h SER 149 Ca 0.03 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3ibg h SER 149 Cb 0.67 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3ibg h SER 149 CO 0.05 0.74 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.33 3ibg h LEU 150 N 0.53 0.00 -3.05 5.07 3.38 -1.16 -3.47 115.31 116.62 3ibg h LEU 150 Ca 0.09 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.63 3ibg h LEU 150 Cb 0.56 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.39 3ibg h LEU 150 CO 0.04 0.08 -0.93 -1.20 0.09 0.00 0.00 178.44 176.51 3ibg n SER 151 N -3.29 -4.89 -4.76 -0.43 7.64 -1.05 -4.96 113.62 101.87 3ibg n SER 151 Ca -0.01 -1.00 -0.39 0.00 1.01 0.00 0.00 58.87 58.49 3ibg n SER 151 Cb 0.28 -3.45 -0.06 0.00 -1.01 0.00 0.00 64.21 59.97 3ibg n SER 151 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3ibg s TYR 152 N -3.50 3.81 0.08 1.43 2.02 -1.26 -4.99 117.35 114.93 3ibg s TYR 152 Ca 0.43 1.84 -0.31 0.00 -0.37 0.00 0.00 57.07 58.65 3ibg s TYR 152 Cb -0.15 -2.99 -0.18 0.00 -0.40 0.00 0.00 41.96 38.25 3ibg s TYR 152 CO 0.86 0.24 1.64 1.49 -1.57 0.00 0.00 175.55 178.20 3ibg h GLU 153 N 3.66 -0.72 -4.39 -0.62 4.57 -1.90 -3.45 114.58 111.73 3ibg h GLU 153 Ca -0.46 0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 57.55 3ibg h GLU 153 Cb 1.20 0.16 -0.19 0.00 -0.16 0.00 0.00 28.75 29.76 3ibg h GLU 153 CO 0.66 -0.48 -0.71 0.54 -1.18 0.00 0.00 179.01 177.84 3ibg s VAL 154 N -6.07 0.42 -0.17 0.32 0.11 -1.01 -4.76 120.40 109.24 3ibg s VAL 154 Ca -0.17 -1.31 0.01 0.00 -2.93 0.00 0.00 61.98 57.57 3ibg s VAL 154 Cb 0.04 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 3ibg s VAL 154 CO 0.63 -0.60 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.00 3ibg s ILE 155 N -2.22 1.84 -0.23 7.04 1.01 0.26 -1.48 121.20 127.41 3ibg s ILE 155 Ca -0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.59 3ibg s ILE 155 Cb -0.04 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 3ibg s ILE 155 CO -0.02 0.49 0.60 -0.69 0.00 0.00 0.00 174.94 175.31 3ibg s VAL 156 N 1.38 5.02 -0.45 2.92 1.01 0.89 -0.98 120.40 130.19 3ibg s VAL 156 Ca 0.05 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 3ibg s VAL 156 Cb -0.13 -3.91 0.08 0.00 0.00 0.00 0.00 36.38 32.42 3ibg s VAL 156 CO -0.12 0.07 0.34 0.12 0.00 0.00 0.00 175.10 175.52 3ibg s PHE 157 N 2.22 3.30 -0.70 5.22 5.99 -0.48 -1.78 117.98 131.76 3ibg s PHE 157 Ca 0.26 -1.31 -0.25 0.00 0.00 0.00 0.00 56.93 55.63 3ibg s PHE 157 Cb -0.16 -3.16 0.05 0.00 0.00 0.00 0.00 43.02 39.75 3ibg s PHE 157 CO 0.09 -0.86 1.15 0.34 -0.00 0.00 0.00 175.22 175.94 3ibg s ASP 158 N 2.49 6.18 0.85 6.13 2.15 0.02 -1.06 116.67 133.43 3ibg s ASP 158 Ca 0.04 -0.63 -0.12 0.00 0.43 0.00 0.00 52.55 52.27 3ibg s ASP 158 Cb -0.24 -2.50 0.10 0.00 -0.30 0.00 0.00 42.92 39.98 3ibg s ASP 158 CO 0.04 -1.66 1.13 0.42 -0.17 0.00 0.00 175.17 174.92 3ibg s THR 159 N 5.04 2.43 -0.18 1.71 -4.23 -0.96 -1.04 115.64 118.40 3ibg s THR 159 Ca 0.30 0.14 -0.26 0.00 -1.18 0.00 0.00 61.69 60.69 3ibg s THR 159 Cb -0.11 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 3ibg s THR 159 CO 0.14 -0.18 0.89 0.00 -0.54 0.00 0.00 174.62 174.93 3ibg s ALA 160 N -3.28 3.54 -0.41 3.99 0.00 -1.26 -4.15 121.76 120.20 3ibg s ALA 160 Ca 0.62 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3ibg s ALA 160 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3ibg s ALA 160 CO 0.53 -0.74 0.68 -2.30 0.00 0.00 0.00 175.76 173.93 3ibg n PRO 161 N 5.45 0.85 0.00 0.00 -0.02 -1.26 -3.82 135.00 136.20 3ibg n PRO 161 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3ibg n PRO 161 Cb 0.48 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3ibg n PRO 161 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ibg n THR 162 N 0.37 0.00 0.85 3.45 -2.24 -1.26 -4.25 114.28 111.20 3ibg n THR 162 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 3ibg n THR 162 Cb 0.34 -1.12 0.53 0.00 -2.10 0.00 0.00 70.33 67.98 3ibg n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibg n GLY 163 N 5.00 -1.58 1.91 3.38 0.00 -1.26 -3.89 105.19 108.75 3ibg n GLY 163 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3ibg n GLY 163 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ibg n HIS 164 N -1.80 2.50 -0.32 1.61 8.25 -1.26 -4.73 115.22 119.46 3ibg n HIS 164 Ca 0.06 -2.30 0.10 0.00 -0.26 0.00 0.00 57.72 55.32 3ibg n HIS 164 Cb 0.37 -0.79 0.27 0.00 1.12 0.00 0.00 29.99 30.96 3ibg n HIS 164 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ibg h THR 165 N 1.40 0.72 -0.57 1.59 2.02 -1.67 -2.17 112.91 114.24 3ibg h THR 165 Ca 0.43 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 67.17 3ibg h THR 165 Cb 1.43 -0.04 -0.12 0.00 -1.74 0.00 0.00 68.15 67.68 3ibg h THR 165 CO 0.96 0.13 0.17 0.18 0.37 0.00 0.00 175.52 177.33 3ibg n LEU 166 N -4.82 5.18 0.14 2.58 4.77 -1.26 -4.53 117.00 119.06 3ibg n LEU 166 Ca 0.20 -3.39 0.04 0.00 -0.03 0.00 0.00 56.01 52.83 3ibg n LEU 166 Cb 0.49 -0.69 0.45 0.00 -2.33 0.00 0.00 43.42 41.35 3ibg n LEU 166 CO 0.21 0.94 0.97 -0.09 -1.33 0.00 0.00 177.39 178.09 3ibg h ARG 167 N 1.80 0.22 0.00 3.23 2.43 -1.75 -2.45 114.38 117.86 3ibg h ARG 167 Ca 0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3ibg h ARG 167 Cb 2.04 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 3ibg h ARG 167 CO 0.59 0.29 0.00 1.97 -1.51 0.00 0.00 179.97 181.30 3ibg n PHE 168 N -4.36 0.00 1.42 2.20 1.16 -1.26 -2.30 117.46 114.33 3ibg n PHE 168 Ca -0.01 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.72 3ibg n PHE 168 Cb 0.20 -0.41 0.68 0.00 -1.61 0.00 0.00 39.48 38.34 3ibg n PHE 168 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3ibg n LEU 169 N -1.41 0.26 -0.30 5.98 4.77 -0.92 -2.77 117.00 122.60 3ibg n LEU 169 Ca 0.04 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.26 3ibg n LEU 169 Cb 0.12 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3ibg n LEU 169 CO 0.11 0.05 0.32 0.00 -1.33 0.00 0.00 177.39 176.53 3ibg n GLN 170 N -1.11 0.78 -0.28 3.23 6.02 -0.97 -4.44 117.38 120.61 3ibg n GLN 170 Ca 0.14 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 3ibg n GLN 170 Cb 0.26 -1.49 0.20 0.00 1.02 0.00 0.00 30.24 30.23 3ibg n GLN 170 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3ibg h PHE 171 N 1.46 1.06 0.01 1.08 0.04 -1.69 -0.58 116.94 118.31 3ibg h PHE 171 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.80 3ibg h PHE 171 Cb 0.63 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3ibg h PHE 171 CO 0.00 0.65 -0.04 -1.35 -0.60 0.00 0.00 178.31 176.97 3ibg h PRO 172 N 1.13 -0.08 -0.17 1.51 0.11 -1.81 -1.23 132.00 131.45 3ibg h PRO 172 Ca 0.32 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.35 3ibg h PRO 172 Cb -0.08 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3ibg h PRO 172 CO -0.08 -0.05 -0.27 1.79 -0.21 0.00 0.00 178.00 179.18 3ibg h THR 173 N -0.08 1.26 -0.48 -1.15 1.35 -1.78 -0.82 112.91 111.21 3ibg h THR 173 Ca 0.01 -1.22 -0.11 0.00 -0.55 0.00 0.00 66.41 64.55 3ibg h THR 173 Cb 0.10 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3ibg h THR 173 CO -0.04 0.38 -0.11 0.58 -0.25 0.00 0.00 175.52 176.08 3ibg h VAL 174 N 0.29 1.27 0.00 6.82 2.07 -0.91 -1.99 116.25 123.80 3ibg h VAL 174 Ca 0.04 -1.25 -0.19 0.00 0.82 0.00 0.00 66.70 66.13 3ibg h VAL 174 Cb 0.63 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3ibg h VAL 174 CO 0.05 0.43 -0.88 -0.07 0.02 0.00 0.00 177.57 177.11 3ibg h LEU 175 N 0.77 0.00 -0.45 2.57 3.38 -1.09 -2.55 115.31 117.96 3ibg h LEU 175 Ca 0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 3ibg h LEU 175 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ibg h LEU 175 CO 0.05 0.88 -0.47 -0.33 0.09 0.00 0.00 178.44 178.66 3ibg h GLU 176 N 0.00 0.77 -0.06 1.13 5.08 -1.09 0.84 114.58 121.24 3ibg h GLU 176 Ca -0.01 -0.44 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 3ibg h GLU 176 Cb 1.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3ibg h GLU 176 CO 0.11 1.07 -0.49 0.87 -1.00 0.00 0.00 179.01 179.57 3ibg h LYS 177 N 0.61 0.16 0.00 2.33 1.57 -1.40 -1.44 116.57 118.40 3ibg h LYS 177 Ca 0.03 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3ibg h LYS 177 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3ibg h LYS 177 CO 0.10 0.62 -0.00 0.00 -0.57 0.00 0.00 179.45 179.60 3ibg h ALA 178 N 1.37 -0.01 -0.00 3.86 0.00 -1.24 -1.96 119.26 121.28 3ibg h ALA 178 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ibg h ALA 178 Cb 0.92 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ibg h ALA 178 CO 0.07 -0.30 0.00 1.25 0.00 0.00 0.00 179.25 180.27 3ibg h LEU 179 N -0.40 0.00 0.30 0.00 5.85 -0.76 0.11 115.31 120.41 3ibg h LEU 179 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3ibg h LEU 179 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ibg h LEU 179 CO 0.00 0.00 -0.15 0.00 -0.34 0.00 0.00 178.44 177.96 3ibg h ALA 180 N 2.00 -0.41 -0.34 1.25 0.00 -1.17 -1.92 119.26 118.67 3ibg h ALA 180 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ibg h ALA 180 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ibg h ALA 180 CO -0.00 -0.40 0.30 -0.22 0.00 0.00 0.00 179.25 178.92 3ibg h LYS 181 N -1.07 0.00 0.15 0.00 1.63 -1.03 0.12 116.57 116.37 3ibg h LYS 181 Ca -0.04 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.47 3ibg h LYS 181 Cb 0.40 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3ibg h LYS 181 CO 0.07 0.00 -1.27 1.25 -3.45 0.00 0.00 179.45 176.05 3ibg h LEU 182 N 0.00 0.59 -0.34 5.20 5.85 -1.01 -2.57 115.31 123.03 3ibg h LEU 182 Ca 0.16 -0.60 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 3ibg h LEU 182 Cb 0.75 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3ibg h LEU 182 CO -0.00 1.45 -0.84 -1.28 -0.34 0.00 0.00 178.44 177.43 3ibg h SER 183 N 0.13 0.08 0.26 1.25 0.87 -0.25 -2.45 113.55 113.45 3ibg h SER 183 Ca -0.16 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.21 3ibg h SER 183 Cb 1.97 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.90 3ibg h SER 183 CO 0.22 0.88 -0.48 -0.61 -0.53 0.00 0.00 176.83 176.31 3ibg h GLN 184 N 0.03 0.26 0.00 2.24 4.15 -0.90 -2.63 115.11 118.27 3ibg h GLN 184 Ca -0.02 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 3ibg h GLN 184 Cb 1.47 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.16 3ibg h GLN 184 CO 0.12 0.69 -0.35 -0.07 -1.93 0.00 0.00 178.83 177.29 3ibg h LEU 185 N 0.21 0.00 -1.26 -2.39 4.07 -1.33 -3.04 115.31 111.56 3ibg h LEU 185 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3ibg h LEU 185 Cb 0.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 3ibg h LEU 185 CO 0.08 0.35 0.00 -0.24 -1.08 0.00 0.00 178.44 177.54 3ibg n SER 186 N -3.53 1.84 -0.81 -0.43 2.88 -0.93 -2.72 113.62 109.91 3ibg n SER 186 Ca -0.00 -2.00 0.11 0.00 -1.33 0.00 0.00 58.87 55.65 3ibg n SER 186 Cb 0.49 -0.23 0.30 0.00 -0.75 0.00 0.00 64.21 64.01 3ibg n SER 186 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ibg n SER 187 N 0.49 2.44 -3.00 -3.46 7.64 -1.15 -4.35 113.62 112.24 3ibg n SER 187 Ca 0.11 -1.83 -0.21 0.00 1.01 0.00 0.00 58.87 57.96 3ibg n SER 187 Cb 0.29 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 3ibg n SER 187 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ibg n GLN 188 N 0.84 1.98 0.00 1.43 3.00 -1.10 -5.14 117.38 118.39 3ibg n GLN 188 Ca 0.17 -3.98 0.00 0.00 -0.01 0.00 0.00 57.00 53.18 3ibg n GLN 188 Cb 0.46 -1.89 0.00 0.00 0.00 0.00 0.00 30.24 28.81 3ibg n GLN 188 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3ibg n PHE 189 N 0.00 0.00 -3.66 1.08 -0.00 -1.26 -5.07 117.46 108.55 3ibg n PHE 189 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 3ibg n PHE 189 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.06 3ibg n PHE 189 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3ibg n SER 195 N 0.00 0.00 0.00 -2.13 2.88 -1.26 -5.09 113.62 108.02 3ibg n SER 195 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ibg n SER 195 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ibg n SER 195 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ibg n ILE 196 N 5.93 0.00 0.73 2.46 3.06 -1.26 -4.69 119.36 125.58 3ibg n ILE 196 Ca 0.00 -0.26 0.07 0.00 -2.50 0.00 0.00 62.75 60.06 3ibg n ILE 196 Cb 0.00 1.47 0.19 0.00 0.54 0.00 0.00 39.64 41.84 3ibg n ILE 196 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3ibg n LEU 197 N -0.01 2.16 0.00 9.51 4.77 -1.26 -5.00 117.00 127.17 3ibg n LEU 197 Ca 0.00 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3ibg n LEU 197 Cb 0.12 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3ibg n LEU 197 CO 0.00 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3ibg n GLY 198 N 1.15 2.72 0.19 -0.72 0.00 -1.26 -0.43 105.19 106.84 3ibg n GLY 198 Ca 0.14 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.14 3ibg n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibg h ALA 199 N -0.30 1.27 0.00 4.61 0.00 -2.01 -1.99 119.26 120.84 3ibg h ALA 199 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ibg h ALA 199 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ibg h ALA 199 CO 0.00 0.44 0.00 0.54 0.00 0.00 0.00 179.25 180.23 3ibg n ARG 200 N -3.90 0.67 0.05 0.00 1.74 0.43 -3.42 116.66 112.23 3ibg n ARG 200 Ca -0.02 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 3ibg n ARG 200 Cb 0.42 -1.17 -0.15 0.00 -1.02 0.00 0.00 32.46 30.54 3ibg n ARG 200 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ibg h GLY 201 N 3.80 0.37 -0.99 -0.13 0.00 -0.43 -3.48 103.07 102.22 3ibg h GLY 201 Ca 0.00 -0.96 -0.33 0.00 0.00 0.00 0.00 47.33 46.04 3ibg h GLY 201 CO 0.00 0.84 -0.18 0.61 0.00 0.00 0.00 176.54 177.80 3ibg n GLY 202 N 1.85 -3.43 3.77 4.60 0.00 -1.22 -4.95 105.19 105.80 3ibg n GLY 202 Ca -0.25 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 3ibg n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ibg s LEU 203 N -5.88 3.71 0.13 0.99 1.43 -1.26 -4.99 118.68 112.81 3ibg s LEU 203 Ca 0.60 2.21 -0.30 0.00 -1.03 0.00 0.00 54.13 55.61 3ibg s LEU 203 Cb -0.12 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.45 3ibg s LEU 203 CO 0.51 -1.33 1.12 -2.84 0.23 0.00 0.00 176.35 174.04 3ibg s PRO 204 N -3.35 4.54 0.00 1.29 0.02 -1.26 -2.10 135.00 134.15 3ibg s PRO 204 Ca 0.73 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3ibg s PRO 204 Cb -0.25 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 30.96 3ibg s PRO 204 CO 0.29 -0.03 0.00 0.41 -0.33 0.00 0.00 177.00 177.34 3ibg n GLY 205 N 2.44 2.29 2.62 0.52 0.00 -1.26 -4.69 105.19 107.11 3ibg n GLY 205 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ibg n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibg n GLY 206 N -1.57 0.92 3.75 -0.02 0.00 -0.89 -5.00 105.19 102.37 3ibg n GLY 206 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ibg n GLY 206 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ibg s GLN 207 N -0.10 4.17 -0.44 1.61 1.11 -1.26 -4.92 119.66 119.83 3ibg s GLN 207 Ca 0.00 2.48 -0.15 0.00 0.01 0.00 0.00 55.36 57.70 3ibg s GLN 207 Cb 0.00 -3.05 0.04 0.00 -1.01 0.00 0.00 33.01 28.99 3ibg s GLN 207 CO 0.00 -0.56 0.35 1.21 0.01 0.00 0.00 175.29 176.30 3ibg s ASN 208 N 0.45 6.13 0.07 5.90 3.84 -1.26 -4.40 114.94 125.67 3ibg s ASN 208 Ca 0.62 -1.09 -0.26 0.00 0.21 0.00 0.00 52.86 52.34 3ibg s ASN 208 Cb -0.46 -2.17 -0.17 0.00 -0.55 0.00 0.00 41.25 37.90 3ibg s ASN 208 CO 0.46 -0.54 1.62 0.40 -2.79 0.00 0.00 177.10 176.25 3ibg h ILE 209 N 5.69 0.81 0.00 -5.21 2.04 -1.99 -1.27 117.51 117.58 3ibg h ILE 209 Ca -0.28 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3ibg h ILE 209 Cb 1.12 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3ibg h ILE 209 CO 0.80 0.03 -0.00 0.44 0.00 0.00 0.00 178.15 179.42 3ibg h ASP 210 N -0.37 0.00 0.68 1.72 3.32 -1.96 0.46 116.42 120.27 3ibg h ASP 210 Ca -0.03 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.76 3ibg h ASP 210 Cb 0.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3ibg h ASP 210 CO 0.05 0.00 -1.41 -0.08 -1.72 0.00 0.00 179.24 176.09 3ibg h GLU 211 N 0.00 0.03 0.06 3.56 4.81 -1.85 -3.29 114.58 117.90 3ibg h GLU 211 Ca -0.00 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 58.90 3ibg h GLU 211 Cb 0.07 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3ibg h GLU 211 CO 0.00 0.78 -1.34 -0.07 -0.73 0.00 0.00 179.01 177.65 3ibg h LEU 212 N 0.01 0.20 -2.25 1.64 3.38 -0.37 -3.21 115.31 114.70 3ibg h LEU 212 Ca -0.17 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.58 3ibg h LEU 212 Cb 1.92 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 3ibg h LEU 212 CO 0.11 1.21 0.12 0.25 0.09 0.00 0.00 178.44 180.22 3ibg h LEU 213 N 0.03 0.00 0.16 1.67 5.85 -1.04 0.40 115.31 122.38 3ibg h LEU 213 Ca -0.16 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3ibg h LEU 213 Cb 1.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.96 3ibg h LEU 213 CO 0.14 0.00 -0.08 1.56 -0.34 0.00 0.00 178.44 179.73 3ibg h GLN 214 N 0.00 -0.21 -0.85 1.25 4.20 -1.63 -1.54 115.11 116.34 3ibg h GLN 214 Ca 0.06 0.01 0.21 0.00 0.06 0.00 0.00 58.65 59.00 3ibg h GLN 214 Cb 0.30 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.00 3ibg h GLN 214 CO -0.00 -0.06 0.21 0.87 -0.67 0.00 0.00 178.83 179.18 3ibg h LYS 215 N -1.04 0.21 -0.35 1.46 1.57 -1.48 0.27 116.57 117.21 3ibg h LYS 215 Ca -0.02 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3ibg h LYS 215 Cb 0.24 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3ibg h LYS 215 CO 0.04 0.14 -0.16 1.98 -0.57 0.00 0.00 179.45 180.88 3ibg h MET 216 N 0.22 0.72 -0.61 3.15 4.05 -1.01 -0.08 114.93 121.37 3ibg h MET 216 Ca 0.52 -0.31 -0.04 0.00 -0.28 0.00 0.00 59.70 59.58 3ibg h MET 216 Cb 1.00 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 3ibg h MET 216 CO -0.63 0.91 0.22 1.49 0.23 0.00 0.00 176.91 179.14 3ibg h GLU 217 N 0.50 0.93 -0.58 0.39 4.22 -0.11 -0.17 114.58 119.77 3ibg h GLU 217 Ca 0.08 -0.18 -0.10 0.00 0.08 0.00 0.00 59.36 59.23 3ibg h GLU 217 Cb 0.69 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3ibg h GLU 217 CO 0.05 0.81 -0.05 1.03 -2.18 0.00 0.00 179.01 178.67 3ibg h SER 218 N 0.86 1.04 0.27 1.04 0.87 -0.34 -1.55 113.55 115.75 3ibg h SER 218 Ca 0.20 -0.33 -0.18 0.00 -1.23 0.00 0.00 61.79 60.25 3ibg h SER 218 Cb 0.24 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3ibg h SER 218 CO -0.01 1.11 -0.73 -0.07 -0.53 0.00 0.00 176.83 176.61 3ibg h LEU 219 N 0.94 0.46 -0.65 2.23 3.38 -0.88 -2.43 115.31 118.36 3ibg h LEU 219 Ca 0.16 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3ibg h LEU 219 Cb 0.61 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3ibg h LEU 219 CO 0.04 1.04 0.23 -0.09 0.09 0.00 0.00 178.44 179.75 3ibg h ARG 220 N 0.27 1.00 -0.33 1.13 2.43 -0.86 -0.50 114.38 117.51 3ibg h ARG 220 Ca -0.03 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 58.83 3ibg h ARG 220 Cb 1.30 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3ibg h ARG 220 CO 0.12 0.86 -0.24 1.49 -1.51 0.00 0.00 179.97 180.69 3ibg h GLU 221 N 0.93 0.66 -0.29 0.20 4.81 -1.22 0.29 114.58 119.97 3ibg h GLU 221 Ca 0.21 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 3ibg h GLU 221 Cb 0.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3ibg h GLU 221 CO -0.01 0.85 -0.12 1.15 -0.73 0.00 0.00 179.01 180.15 3ibg h THR 222 N 0.58 1.29 -0.50 0.32 2.02 -1.24 -1.91 112.91 113.47 3ibg h THR 222 Ca 0.08 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 3ibg h THR 222 Cb 0.72 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3ibg h THR 222 CO 0.06 0.38 0.24 0.40 0.37 0.00 0.00 175.52 176.97 3ibg h ILE 223 N 0.35 1.19 -0.64 3.11 1.08 -0.79 -2.87 117.51 118.94 3ibg h ILE 223 Ca 0.07 -0.54 -0.07 0.00 -0.39 0.00 0.00 64.86 63.93 3ibg h ILE 223 Cb 0.63 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 3ibg h ILE 223 CO 0.04 0.21 0.13 0.28 -0.69 0.00 0.00 178.15 178.12 3ibg h SER 224 N 0.67 0.99 0.28 1.72 0.02 -0.39 -1.14 113.55 115.69 3ibg h SER 224 Ca 0.17 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3ibg h SER 224 Cb 0.12 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3ibg h SER 224 CO -0.02 0.99 -0.45 -0.33 -1.14 0.00 0.00 176.83 175.87 3ibg h GLU 225 N 0.96 -0.74 -0.66 3.45 5.08 -1.30 -1.72 114.58 119.66 3ibg h GLU 225 Ca 0.20 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 3ibg h GLU 225 Cb 0.40 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3ibg h GLU 225 CO 0.01 -0.50 0.43 0.28 -1.00 0.00 0.00 179.01 178.23 3ibg h VAL 226 N -0.77 0.98 -0.32 3.13 2.07 -1.45 -1.93 116.25 117.95 3ibg h VAL 226 Ca -0.03 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3ibg h VAL 226 Cb 0.71 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3ibg h VAL 226 CO -0.15 0.11 -0.27 -1.13 0.02 0.00 0.00 177.57 176.15 3ibg h ASN 227 N 0.61 0.80 1.25 0.57 -0.73 -0.87 -1.19 115.58 116.02 3ibg h ASN 227 Ca 0.29 -0.45 0.00 0.00 1.87 0.00 0.00 56.30 58.00 3ibg h ASN 227 Cb 0.35 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.71 3ibg h ASN 227 CO -0.09 1.09 0.00 0.71 -0.37 0.00 0.00 177.43 178.77 3ibg h THR 228 N 0.52 0.00 -0.12 -3.57 1.35 -1.00 -2.44 112.91 107.66 3ibg h THR 228 Ca 0.06 -0.53 -0.11 0.00 -0.55 0.00 0.00 66.41 65.28 3ibg h THR 228 Cb 0.84 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3ibg h THR 228 CO 0.07 0.00 -0.35 1.56 -0.25 0.00 0.00 175.52 176.55 3ibg h GLN 229 N 0.00 0.45 -0.82 4.72 4.20 -1.03 -3.07 115.11 119.55 3ibg h GLN 229 Ca 0.00 -0.32 0.14 0.00 0.06 0.00 0.00 58.65 58.53 3ibg h GLN 229 Cb 0.63 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.37 3ibg h GLN 229 CO 0.00 0.94 0.41 0.74 -0.67 0.00 0.00 178.83 180.25 3ibg h PHE 230 N 0.03 0.73 -0.02 2.96 -1.00 -0.87 -0.65 116.94 118.13 3ibg h PHE 230 Ca -0.01 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3ibg h PHE 230 Cb 0.96 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.32 3ibg h PHE 230 CO 0.11 0.18 0.00 1.63 -1.61 0.00 0.00 178.31 178.62 3ibg n LYS 231 N -4.88 1.06 -3.62 1.51 5.02 -0.95 -4.44 118.16 111.86 3ibg n LYS 231 Ca 0.16 -0.08 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 3ibg n LYS 231 Cb 0.41 -1.20 -0.11 0.00 -0.02 0.00 0.00 35.03 34.10 3ibg n LYS 231 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ibg s ASN 232 N -1.38 5.67 0.49 4.39 2.47 -0.25 -4.92 114.94 121.42 3ibg s ASN 232 Ca 0.19 -0.95 0.21 0.00 0.42 0.00 0.00 52.86 52.74 3ibg s ASN 232 Cb 0.09 -2.01 1.26 0.00 -1.45 0.00 0.00 41.25 39.14 3ibg s ASN 232 CO 0.15 -0.36 1.98 -0.65 -3.72 0.00 0.00 177.10 174.50 3ibg h PRO 233 N 8.41 0.16 0.00 0.43 0.11 -1.81 0.12 132.00 139.41 3ibg h PRO 233 Ca -0.26 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 3ibg h PRO 233 Cb 1.11 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3ibg h PRO 233 CO 0.66 0.10 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.85 3ibg h ASP 234 N 0.16 0.00 0.00 -2.05 3.32 -1.93 -3.28 116.42 112.64 3ibg h ASP 234 Ca 0.28 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 3ibg h ASP 234 Cb 0.89 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 3ibg h ASP 234 CO -0.04 0.26 -1.76 0.23 -1.72 0.00 0.00 179.24 176.21 3ibg n MET 235 N -3.68 1.21 -3.74 3.56 2.81 -0.11 -3.11 117.12 114.07 3ibg n MET 235 Ca -0.01 -0.06 -0.17 0.00 -1.81 0.00 0.00 57.70 55.65 3ibg n MET 235 Cb 0.38 -1.33 -0.17 0.00 -0.71 0.00 0.00 33.22 31.39 3ibg n MET 235 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3ibg s THR 236 N -2.61 -0.08 0.06 2.03 2.01 0.22 -1.03 115.64 116.24 3ibg s THR 236 Ca -0.06 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.24 3ibg s THR 236 Cb 0.06 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.43 3ibg s THR 236 CO 0.55 0.12 -0.05 0.28 -0.69 0.00 0.00 174.62 174.82 3ibg s THR 237 N 1.45 0.46 -0.11 -0.82 -1.32 -0.93 -4.19 115.64 110.18 3ibg s THR 237 Ca -0.04 -1.58 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 3ibg s THR 237 Cb -0.13 -1.22 -0.00 0.00 -1.51 0.00 0.00 72.50 69.64 3ibg s THR 237 CO -0.03 -0.75 -0.21 0.12 -2.21 0.00 0.00 174.62 171.54 3ibg s PHE 238 N -2.93 2.64 -0.21 9.09 5.36 0.55 -1.21 117.98 131.28 3ibg s PHE 238 Ca 0.02 -0.98 -0.06 0.00 -0.96 0.00 0.00 56.93 54.96 3ibg s PHE 238 Cb 0.01 -1.76 -0.03 0.00 -0.34 0.00 0.00 43.02 40.90 3ibg s PHE 238 CO -0.05 -0.39 0.03 0.08 -1.46 0.00 0.00 175.22 173.43 3ibg s VAL 239 N 0.41 4.15 0.05 3.12 1.01 -0.60 -3.89 120.40 124.65 3ibg s VAL 239 Ca -0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3ibg s VAL 239 Cb -0.17 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3ibg s VAL 239 CO 0.07 0.41 0.31 0.00 0.00 0.00 0.00 175.10 175.89 3ibg s VAL 241 N -1.39 2.19 -0.01 0.00 1.01 0.12 0.12 120.40 122.44 3ibg s VAL 241 Ca 0.31 -1.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.26 3ibg s VAL 241 Cb -0.13 -1.95 0.10 0.00 0.00 0.00 0.00 36.38 34.40 3ibg s VAL 241 CO 0.19 0.06 0.86 0.00 0.00 0.00 0.00 175.10 176.20 3ibg s ILE 243 N -2.92 3.32 -1.28 0.00 1.01 -1.26 -0.82 121.20 119.24 3ibg s ILE 243 Ca 0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3ibg s ILE 243 Cb -0.01 -3.25 0.15 0.00 0.01 0.00 0.00 42.46 39.36 3ibg s ILE 243 CO -0.08 -0.19 2.22 0.00 0.00 0.00 0.00 174.94 176.89 3ibg n ALA 244 N -2.29 6.44 -2.50 9.38 0.00 -1.26 -4.27 120.51 126.01 3ibg n ALA 244 Ca 0.05 -4.19 -0.24 0.00 0.00 0.00 0.00 53.44 49.06 3ibg n ALA 244 Cb 0.59 -2.74 -0.11 0.00 0.00 0.00 0.00 19.45 17.19 3ibg n ALA 244 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ibg s GLU 245 N -1.21 1.72 0.00 0.00 0.41 -1.26 -4.82 118.70 113.55 3ibg s GLU 245 Ca 0.49 -1.93 -0.23 0.00 -0.41 0.00 0.00 54.97 52.90 3ibg s GLU 245 Cb 0.16 -1.28 -0.12 0.00 -1.78 0.00 0.00 34.13 31.11 3ibg s GLU 245 CO -0.07 -0.03 0.98 0.35 -0.49 0.00 0.00 175.26 175.99 3ibg h PHE 246 N 2.06 -0.75 -0.61 1.61 3.57 -1.99 -1.84 116.94 118.99 3ibg h PHE 246 Ca -0.42 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.24 3ibg h PHE 246 Cb 1.24 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 3ibg h PHE 246 CO 0.68 -0.47 0.67 -0.07 -2.23 0.00 0.00 178.31 176.89 3ibg h LEU 247 N -1.15 0.00 0.11 0.59 3.38 -1.98 0.18 115.31 116.45 3ibg h LEU 247 Ca -0.08 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.55 3ibg h LEU 247 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3ibg h LEU 247 CO 0.14 0.00 -1.84 -1.28 0.09 0.00 0.00 178.44 175.54 3ibg h SER 248 N 0.00 0.36 -0.46 -0.43 0.87 -1.85 -2.61 113.55 109.43 3ibg h SER 248 Ca 0.29 -0.88 0.02 0.00 -1.23 0.00 0.00 61.79 59.99 3ibg h SER 248 Cb 1.63 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 3ibg h SER 248 CO -0.00 1.79 0.30 -0.07 -0.53 0.00 0.00 176.83 178.32 3ibg h LEU 249 N -0.11 0.47 0.33 2.23 4.07 -0.28 -0.65 115.31 121.37 3ibg h LEU 249 Ca -0.40 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.53 3ibg h LEU 249 Cb 1.91 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.54 3ibg h LEU 249 CO 0.05 0.33 -0.16 0.22 -1.08 0.00 0.00 178.44 177.80 3ibg h TYR 250 N 0.55 -0.41 -0.01 1.13 3.20 -0.81 -2.51 116.97 118.11 3ibg h TYR 250 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3ibg h TYR 250 Cb 0.04 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3ibg h TYR 250 CO -0.00 -0.07 0.03 1.49 -1.64 0.00 0.00 178.16 177.97 3ibg h GLU 251 N -0.89 0.00 -0.00 1.82 4.57 -1.32 -1.26 114.58 117.50 3ibg h GLU 251 Ca -0.05 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3ibg h GLU 251 Cb 0.52 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3ibg h GLU 251 CO 0.07 0.00 -0.28 1.15 -1.18 0.00 0.00 179.01 178.77 3ibg h THR 252 N 0.00 1.54 -0.12 0.32 2.02 -1.02 -2.07 112.91 113.57 3ibg h THR 252 Ca 0.01 -1.97 -0.05 0.00 0.77 0.00 0.00 66.41 65.17 3ibg h THR 252 Cb 0.07 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 3ibg h THR 252 CO -0.00 0.54 -0.14 1.05 0.37 0.00 0.00 175.52 177.34 3ibg h GLU 253 N -0.47 0.19 -0.28 6.66 4.11 -0.98 -1.73 114.58 122.08 3ibg h GLU 253 Ca -0.04 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.23 3ibg h GLU 253 Cb 1.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3ibg h GLU 253 CO 0.06 0.34 -0.32 -0.09 0.07 0.00 0.00 179.01 179.07 3ibg h ARG 254 N 0.18 0.59 0.00 1.06 2.43 -1.23 -1.90 114.38 115.51 3ibg h ARG 254 Ca 0.04 -0.26 -0.18 0.00 -0.81 0.00 0.00 59.98 58.76 3ibg h ARG 254 Cb 0.37 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3ibg h ARG 254 CO 0.02 0.83 -0.94 1.98 -1.51 0.00 0.00 179.97 180.36 3ibg h MET 255 N 0.51 0.00 -0.13 0.20 4.05 -1.04 -2.95 114.93 115.57 3ibg h MET 255 Ca 0.06 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.32 3ibg h MET 255 Cb 0.79 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 3ibg h MET 255 CO 0.06 0.77 -0.61 0.82 0.23 0.00 0.00 176.91 178.18 3ibg h ILE 256 N 0.00 1.35 0.25 1.77 2.04 -1.21 -1.37 117.51 120.35 3ibg h ILE 256 Ca -0.04 -1.93 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 3ibg h ILE 256 Cb 1.67 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3ibg h ILE 256 CO 0.10 0.59 -0.12 1.56 0.00 0.00 0.00 178.15 180.28 3ibg h GLN 257 N 0.33 -0.33 -0.18 2.37 4.20 -1.36 0.18 115.11 120.32 3ibg h GLN 257 Ca -0.01 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3ibg h GLN 257 Cb 1.16 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 3ibg h GLN 257 CO 0.11 -0.15 0.01 1.49 -0.67 0.00 0.00 178.83 179.61 3ibg h GLU 258 N -0.43 0.25 -0.12 1.46 4.81 -1.50 -0.65 114.58 118.40 3ibg h GLU 258 Ca -0.03 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3ibg h GLU 258 Cb 0.32 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3ibg h GLU 258 CO 0.06 0.27 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.44 3ibg h LEU 259 N 0.25 0.29 -1.39 1.64 3.38 -0.99 -2.72 115.31 115.77 3ibg h LEU 259 Ca 0.06 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3ibg h LEU 259 Cb 0.16 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3ibg h LEU 259 CO 0.00 0.68 0.40 0.74 0.09 0.00 0.00 178.44 180.36 3ibg h THR 260 N -0.09 1.16 -0.03 0.22 2.02 0.06 -1.43 112.91 114.82 3ibg h THR 260 Ca 0.02 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3ibg h THR 260 Cb 0.59 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3ibg h THR 260 CO 0.02 0.15 0.01 0.77 0.37 0.00 0.00 175.52 176.85 3ibg h SER 261 N 0.83 0.04 0.30 4.18 4.64 -1.12 -1.92 113.55 120.51 3ibg h SER 261 Ca 0.22 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ibg h SER 261 Cb -0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3ibg h SER 261 CO -0.05 0.25 0.00 -1.22 -0.87 0.00 0.00 176.83 174.95 3ibg n TYR 262 N -4.95 0.09 -1.51 4.77 4.01 -1.01 -4.86 117.16 113.69 3ibg n TYR 262 Ca -0.07 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3ibg n TYR 262 Cb 0.13 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.60 3ibg n TYR 262 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ibg n GLY 263 N -0.65 0.45 3.65 2.72 0.00 -0.61 -4.93 105.19 105.81 3ibg n GLY 263 Ca 0.02 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3ibg n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ibg s ILE 264 N -2.00 5.34 0.32 -0.61 1.01 -0.75 -4.55 121.20 119.96 3ibg s ILE 264 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 3ibg s ILE 264 Cb 0.00 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 3ibg s ILE 264 CO 0.00 0.33 1.56 -0.62 0.00 0.00 0.00 174.94 176.21 3ibg s ASP 265 N 1.13 6.37 -0.11 3.58 2.15 -1.26 -4.36 116.67 124.18 3ibg s ASP 265 Ca 0.08 2.97 -0.05 0.00 0.43 0.00 0.00 52.55 55.98 3ibg s ASP 265 Cb -0.14 -2.64 0.05 0.00 -0.30 0.00 0.00 42.92 39.89 3ibg s ASP 265 CO 0.05 -0.89 0.24 0.28 -0.17 0.00 0.00 175.17 174.68 3ibg s THR 266 N -0.34 -0.14 0.00 1.71 -1.32 -1.26 -0.33 115.64 113.96 3ibg s THR 266 Ca 0.60 0.19 0.05 0.00 -1.21 0.00 0.00 61.69 61.32 3ibg s THR 266 Cb -0.47 -0.39 0.08 0.00 -1.51 0.00 0.00 72.50 70.22 3ibg s THR 266 CO 0.52 0.08 0.90 0.00 -2.21 0.00 0.00 174.62 173.91 3ibg n HIS 267 N 4.54 0.00 -3.73 9.09 1.44 -1.25 -4.98 115.22 120.33 3ibg n HIS 267 Ca -0.20 -0.16 -0.12 0.00 -2.01 0.00 0.00 57.72 55.22 3ibg n HIS 267 Cb 0.52 0.08 -0.13 0.00 0.12 0.00 0.00 29.99 30.59 3ibg n HIS 267 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ibg s ALA 268 N 0.00 -0.58 -0.11 1.59 0.00 -1.26 -1.42 121.76 119.98 3ibg s ALA 268 Ca 0.07 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.04 3ibg s ALA 268 Cb 0.07 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.58 3ibg s ALA 268 CO -0.03 -0.19 -0.18 0.42 0.00 0.00 0.00 175.76 175.77 3ibg s ILE 269 N 1.15 1.71 -0.37 0.00 1.01 0.35 -1.54 121.20 123.52 3ibg s ILE 269 Ca -0.08 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 3ibg s ILE 269 Cb -0.09 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.86 3ibg s ILE 269 CO -0.08 0.48 0.23 -0.69 0.00 0.00 0.00 174.94 174.88 3ibg s VAL 270 N 0.75 4.92 -0.55 2.92 1.01 0.12 -0.95 120.40 128.62 3ibg s VAL 270 Ca -0.11 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 3ibg s VAL 270 Cb -0.16 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.66 3ibg s VAL 270 CO 0.02 -0.15 0.61 -0.69 0.00 0.00 0.00 175.10 174.89 3ibg s VAL 271 N 1.64 4.95 0.55 2.92 1.01 0.80 -1.57 120.40 130.70 3ibg s VAL 271 Ca 0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3ibg s VAL 271 Cb -0.18 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 31.84 3ibg s VAL 271 CO 0.08 -0.94 0.82 0.21 0.00 0.00 0.00 175.10 175.27 3ibg s ASN 272 N 3.29 5.48 -1.45 3.32 2.47 0.00 -1.94 114.94 126.10 3ibg s ASN 272 Ca 0.10 0.37 -0.08 0.00 0.42 0.00 0.00 52.86 53.67 3ibg s ASN 272 Cb -0.24 -1.37 0.02 0.00 -1.45 0.00 0.00 41.25 38.21 3ibg s ASN 272 CO 0.07 -1.05 0.91 0.00 -3.72 0.00 0.00 177.10 173.32 3ibg n GLN 273 N -2.42 -6.37 -2.92 0.43 6.02 -1.07 -4.41 117.38 106.64 3ibg n GLN 273 Ca 0.05 0.82 -0.37 0.00 -0.01 0.00 0.00 57.00 57.49 3ibg n GLN 273 Cb 0.58 -5.78 -0.06 0.00 1.02 0.00 0.00 30.24 26.00 3ibg n GLN 273 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ibg s LEU 274 N -7.04 4.42 -0.02 1.08 1.43 -0.49 -4.37 118.68 113.68 3ibg s LEU 274 Ca 0.48 1.67 -0.19 0.00 -1.03 0.00 0.00 54.13 55.06 3ibg s LEU 274 Cb -0.22 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 3ibg s LEU 274 CO 0.59 0.04 0.53 -0.76 0.23 0.00 0.00 176.35 176.98 3ibg s LEU 275 N -1.77 4.41 0.25 1.79 1.43 -1.26 -1.35 118.68 122.17 3ibg s LEU 275 Ca 0.44 1.05 0.10 0.00 -1.03 0.00 0.00 54.13 54.69 3ibg s LEU 275 Cb -0.19 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 3ibg s LEU 275 CO 0.24 0.14 -0.08 -0.36 0.23 0.00 0.00 176.35 176.52 3ibg s PHE 276 N -0.27 2.56 0.43 0.29 0.08 -1.26 -4.99 117.98 114.83 3ibg s PHE 276 Ca 0.28 -0.25 -0.25 0.00 0.12 0.00 0.00 56.93 56.83 3ibg s PHE 276 Cb -0.17 -1.16 -0.08 0.00 -0.57 0.00 0.00 43.02 41.04 3ibg s PHE 276 CO 0.15 0.62 1.31 -2.14 -0.10 0.00 0.00 175.22 175.06 3ibg s PRO 277 N -3.43 3.82 0.00 0.24 0.02 -1.26 -5.14 135.00 129.25 3ibg s PRO 277 Ca 0.29 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3ibg s PRO 277 Cb -0.07 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.80 3ibg s PRO 277 CO 0.17 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 3ibg n GLY 282 N 0.64 1.59 3.10 0.52 0.00 -1.26 -5.15 105.19 104.62 3ibg n GLY 282 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3ibg n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibg h GLU 284 N 7.84 -0.40 -0.27 0.00 4.81 -2.07 -3.27 114.58 121.21 3ibg h GLU 284 Ca -0.18 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3ibg h GLU 284 Cb 1.04 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3ibg h GLU 284 CO 0.50 -0.07 0.18 0.37 -0.73 0.00 0.00 179.01 179.26 3ibg h GLN 285 N -0.81 0.27 -0.14 1.92 4.15 -2.01 0.12 115.11 118.62 3ibg h GLN 285 Ca -0.04 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 3ibg h GLN 285 Cb 0.51 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 3ibg h GLN 285 CO 0.07 0.18 -0.24 0.00 -1.93 0.00 0.00 178.83 176.91 3ibg h ASN 287 N 0.23 0.66 -0.31 0.00 2.35 -0.80 -2.27 115.58 115.44 3ibg h ASN 287 Ca 0.04 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3ibg h ASN 287 Cb 0.56 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3ibg h ASN 287 CO 0.04 0.54 -0.10 0.00 -1.65 0.00 0.00 177.43 176.26 3ibg h ALA 288 N 1.56 0.43 0.00 -0.83 0.00 -1.30 -1.75 119.26 117.38 3ibg h ALA 288 Ca 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ibg h ALA 288 Cb 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ibg h ALA 288 CO -0.03 0.28 -0.03 -0.09 0.00 0.00 0.00 179.25 179.38 3ibg h ARG 289 N 0.38 0.00 0.12 0.00 9.65 -1.30 -1.86 114.38 121.38 3ibg h ARG 289 Ca 0.08 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.66 3ibg h ARG 289 Cb 0.60 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.21 3ibg h ARG 289 CO 0.04 0.03 -1.24 -0.09 2.80 0.00 0.00 179.97 181.51 3ibg h ARG 290 N 0.00 0.52 -0.66 0.20 2.43 -1.02 -3.01 114.38 112.84 3ibg h ARG 290 Ca -0.00 -0.73 0.06 0.00 -0.81 0.00 0.00 59.98 58.50 3ibg h ARG 290 Cb 0.07 0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 3ibg h ARG 290 CO 0.00 1.32 0.44 0.87 -1.51 0.00 0.00 179.97 181.10 3ibg h LYS 291 N 0.22 0.66 -0.20 0.20 1.57 -0.50 0.18 116.57 118.70 3ibg h LYS 291 Ca -0.17 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.42 3ibg h LYS 291 Cb 1.92 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 3ibg h LYS 291 CO 0.23 0.44 -0.50 0.52 -0.57 0.00 0.00 179.45 179.57 3ibg h MET 292 N 0.68 0.53 -0.80 3.15 2.86 -1.51 -2.77 114.93 117.07 3ibg h MET 292 Ca 0.28 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 3ibg h MET 292 Cb 0.25 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3ibg h MET 292 CO -0.09 0.91 0.33 1.96 1.06 0.00 0.00 176.91 181.08 3ibg h GLN 293 N 0.42 1.20 -0.65 1.72 4.20 -0.99 -2.34 115.11 118.67 3ibg h GLN 293 Ca 0.02 -0.21 0.06 0.00 0.06 0.00 0.00 58.65 58.58 3ibg h GLN 293 Cb 1.02 -0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.55 3ibg h GLN 293 CO 0.09 0.97 0.35 -0.22 -0.67 0.00 0.00 178.83 179.35 3ibg h LYS 294 N 1.17 0.63 0.80 1.46 3.64 -0.86 0.97 116.57 124.39 3ibg h LYS 294 Ca 0.27 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3ibg h LYS 294 Cb 0.21 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3ibg h LYS 294 CO -0.02 0.42 -0.39 0.87 -2.27 0.00 0.00 179.45 178.05 3ibg h LYS 295 N 0.65 -1.05 -0.92 1.90 1.57 -1.20 -0.62 116.57 116.91 3ibg h LYS 295 Ca 0.30 0.07 0.20 0.00 -1.87 0.00 0.00 60.65 59.35 3ibg h LYS 295 Cb 0.20 0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3ibg h LYS 295 CO -0.19 -0.70 0.60 1.88 -0.57 0.00 0.00 179.45 180.47 3ibg h TYR 296 N -1.09 0.59 -0.00 -1.35 0.05 -1.34 -0.80 116.97 113.02 3ibg h TYR 296 Ca -0.11 0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.53 3ibg h TYR 296 Cb 0.84 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 3ibg h TYR 296 CO 0.04 0.15 -0.73 1.25 -1.05 0.00 0.00 178.16 177.82 3ibg h LEU 297 N 0.44 0.04 -0.27 3.88 5.85 -0.54 -1.80 115.31 122.92 3ibg h LEU 297 Ca 0.48 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.99 3ibg h LEU 297 Cb 1.16 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3ibg h LEU 297 CO -0.20 0.76 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.81 3ibg h GLU 298 N 0.02 0.82 -0.18 1.25 5.08 0.28 -1.47 114.58 120.39 3ibg h GLU 298 Ca -0.01 -0.53 0.05 0.00 -1.00 0.00 0.00 59.36 57.87 3ibg h GLU 298 Cb 1.29 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.55 3ibg h GLU 298 CO 0.10 1.16 -0.18 1.96 -1.00 0.00 0.00 179.01 181.05 3ibg h GLN 299 N 0.59 -0.19 -0.50 2.33 4.20 -1.10 -1.11 115.11 119.32 3ibg h GLN 299 Ca 0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3ibg h GLN 299 Cb 1.13 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3ibg h GLN 299 CO 0.12 -0.13 0.32 0.82 -0.67 0.00 0.00 178.83 179.28 3ibg h ILE 300 N -0.20 1.14 0.00 2.54 2.04 -1.28 0.14 117.51 121.88 3ibg h ILE 300 Ca 0.11 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3ibg h ILE 300 Cb 0.37 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3ibg h ILE 300 CO -0.30 0.14 -0.02 -0.33 0.00 0.00 0.00 178.15 177.64 3ibg h GLU 301 N 0.67 0.00 0.00 2.37 4.39 -0.95 -1.30 114.58 119.76 3ibg h GLU 301 Ca 0.18 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 3ibg h GLU 301 Cb -0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3ibg h GLU 301 CO -0.04 0.02 -0.30 1.49 -1.16 0.00 0.00 179.01 179.02 3ibg h GLU 302 N 0.00 0.00 -0.53 2.33 4.81 -0.07 -3.27 114.58 117.85 3ibg h GLU 302 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3ibg h GLU 302 Cb 0.04 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3ibg h GLU 302 CO 0.00 0.54 0.28 -0.07 -0.73 0.00 0.00 179.01 179.03 3ibg h LEU 303 N -1.00 0.41 -5.70 1.64 3.38 -0.71 -3.18 115.31 110.16 3ibg h LEU 303 Ca -0.06 0.03 -0.70 0.00 0.09 0.00 0.00 57.88 57.23 3ibg h LEU 303 Cb 0.67 -0.05 -0.34 0.00 0.09 0.00 0.00 40.66 41.02 3ibg h LEU 303 CO -0.04 0.28 0.24 -1.22 0.09 0.00 0.00 178.44 177.80 3ibg n TYR 304 N -4.86 3.37 -0.04 1.13 4.01 -0.50 -4.73 117.16 115.55 3ibg n TYR 304 Ca 0.05 -3.19 -0.03 0.00 -0.16 0.00 0.00 57.90 54.57 3ibg n TYR 304 Cb 0.13 -0.84 0.22 0.00 -0.31 0.00 0.00 39.34 38.53 3ibg n TYR 304 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ibg h GLU 305 N 3.55 0.61 0.00 -0.72 4.81 -1.59 -2.37 114.58 118.86 3ibg h GLU 305 Ca 0.36 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3ibg h GLU 305 Cb 0.41 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3ibg h GLU 305 CO 1.02 0.69 0.00 -0.25 -0.73 0.00 0.00 179.01 179.74 3ibg n ASP 306 N -4.21 0.00 -4.95 1.04 8.00 -1.26 -4.73 116.55 110.44 3ibg n ASP 306 Ca 0.01 -0.51 -0.25 0.00 0.71 0.00 0.00 54.79 54.75 3ibg n ASP 306 Cb 0.31 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 3ibg n ASP 306 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ibg s PHE 307 N -2.26 3.48 -0.30 1.24 0.08 -0.89 -4.95 117.98 114.38 3ibg s PHE 307 Ca 0.34 0.12 -0.29 0.00 0.12 0.00 0.00 56.93 57.22 3ibg s PHE 307 Cb 0.19 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.98 3ibg s PHE 307 CO 0.36 0.49 1.10 -0.80 -0.10 0.00 0.00 175.22 176.27 3ibg s ASN 308 N -3.36 6.93 -0.52 1.36 0.01 -0.50 -4.78 114.94 114.07 3ibg s ASN 308 Ca 0.35 1.15 -0.11 0.00 -0.71 0.00 0.00 52.86 53.53 3ibg s ASN 308 Cb -0.11 -2.54 0.13 0.00 0.41 0.00 0.00 41.25 39.14 3ibg s ASN 308 CO 0.29 -0.86 0.42 -0.69 -1.51 0.00 0.00 177.10 174.75 3ibg s VAL 309 N 3.65 4.59 -0.10 1.60 1.01 -1.26 -0.50 120.40 129.40 3ibg s VAL 309 Ca 0.47 -1.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 3ibg s VAL 309 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3ibg s VAL 309 CO 0.15 -0.83 0.53 -0.69 0.00 0.00 0.00 175.10 174.26 3ibg s VAL 310 N 1.31 5.14 -0.21 2.92 1.01 -0.13 -4.40 120.40 126.05 3ibg s VAL 310 Ca 0.06 1.07 -0.06 0.00 0.00 0.00 0.00 61.98 63.05 3ibg s VAL 310 Cb -0.26 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3ibg s VAL 310 CO -0.00 0.32 0.03 -0.13 0.00 0.00 0.00 175.10 175.32 3ibg s ARG 311 N 0.59 3.71 -0.07 2.72 0.52 -1.26 -0.14 118.95 125.02 3ibg s ARG 311 Ca 0.29 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 55.07 3ibg s ARG 311 Cb -0.16 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 3ibg s ARG 311 CO 0.12 0.03 -0.21 -1.64 0.02 0.00 0.00 175.30 173.62 3ibg s MET 312 N 0.99 2.65 0.21 3.54 -1.94 -0.82 -4.44 119.30 119.49 3ibg s MET 312 Ca 0.03 -0.83 -0.26 0.00 -1.71 0.00 0.00 55.69 52.92 3ibg s MET 312 Cb -0.14 -2.27 -0.08 0.00 2.01 0.00 0.00 34.83 34.35 3ibg s MET 312 CO 0.02 0.41 0.83 -1.25 -0.01 0.00 0.00 175.02 175.02 3ibg s PRO 313 N -0.21 4.59 0.09 2.03 0.05 -1.26 -1.39 135.00 138.89 3ibg s PRO 313 Ca -0.01 1.21 -0.31 0.00 0.05 0.00 0.00 61.00 61.94 3ibg s PRO 313 Cb -0.13 -3.15 -0.09 0.00 0.05 0.00 0.00 34.50 31.17 3ibg s PRO 313 CO 0.03 0.50 1.72 -1.17 0.05 0.00 0.00 177.00 178.13 3ibg s LEU 314 N -1.38 4.38 0.39 -3.56 2.96 -0.46 -4.50 118.68 116.50 3ibg s LEU 314 Ca 0.40 2.60 -0.01 0.00 -0.22 0.00 0.00 54.13 56.89 3ibg s LEU 314 Cb -0.22 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 3ibg s LEU 314 CO 0.26 -0.93 0.61 -0.76 -1.32 0.00 0.00 176.35 174.22 3ibg s LEU 315 N 2.62 3.89 0.37 -0.68 1.43 -1.26 -4.93 118.68 120.12 3ibg s LEU 315 Ca 0.76 0.54 0.20 0.00 -1.03 0.00 0.00 54.13 54.60 3ibg s LEU 315 Cb -0.42 -3.43 0.24 0.00 0.03 0.00 0.00 46.19 42.61 3ibg s LEU 315 CO 0.34 -0.40 1.55 0.58 0.23 0.00 0.00 176.35 178.64 3ibg h VAL 316 N 0.60 0.38 -3.15 -1.59 2.07 -2.04 -3.45 116.25 109.07 3ibg h VAL 316 Ca -0.49 -1.53 -0.54 0.00 0.82 0.00 0.00 66.70 64.97 3ibg h VAL 316 Cb 1.22 2.18 -0.17 0.00 -1.52 0.00 0.00 31.29 32.99 3ibg h VAL 316 CO 0.61 0.22 -0.78 -1.61 0.02 0.00 0.00 177.57 176.03 3ibg s GLU 317 N -3.11 1.34 0.51 1.57 2.02 -1.26 -5.12 118.70 114.65 3ibg s GLU 317 Ca 0.06 -1.47 -0.22 0.00 0.02 0.00 0.00 54.97 53.35 3ibg s GLU 317 Cb 0.06 -1.40 -0.07 0.00 0.10 0.00 0.00 34.13 32.82 3ibg s GLU 317 CO 0.70 0.28 1.15 0.39 0.02 0.00 0.00 175.26 177.80 3ibg n GLU 318 N 0.14 1.44 -2.80 1.61 1.02 -1.26 -4.88 120.64 115.90 3ibg n GLU 318 Ca -0.12 0.53 -0.44 0.00 -0.02 0.00 0.00 57.16 57.11 3ibg n GLU 318 Cb 0.58 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 3ibg n GLU 318 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ibg n VAL 319 N -0.95 4.31 -0.06 2.62 0.31 -1.26 -4.69 118.33 118.62 3ibg n VAL 319 Ca 0.10 -4.68 -0.12 0.00 -0.01 0.00 0.00 64.34 59.63 3ibg n VAL 319 Cb 0.43 -2.43 -0.04 0.00 -0.91 0.00 0.00 33.84 30.88 3ibg n VAL 319 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3ibg n ARG 320 N 5.01 0.25 -0.58 5.55 0.63 -1.26 -4.75 116.66 121.50 3ibg n ARG 320 Ca 0.37 0.11 -0.30 0.00 -0.92 0.00 0.00 57.85 57.11 3ibg n ARG 320 Cb 0.41 -0.93 0.20 0.00 0.45 0.00 0.00 32.46 32.59 3ibg n ARG 320 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ibg n GLY 321 N 2.31 -2.52 0.07 5.14 0.00 -1.26 -4.36 105.19 104.57 3ibg n GLY 321 Ca -0.23 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 3ibg n GLY 321 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ibg h LYS 322 N -2.38 0.08 -0.16 1.61 3.64 -1.90 -2.26 116.57 115.19 3ibg h LYS 322 Ca -0.53 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 58.58 3ibg h LYS 322 Cb 1.30 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3ibg h LYS 322 CO 0.38 1.06 -0.50 1.05 -2.27 0.00 0.00 179.45 179.17 3ibg h GLU 323 N 0.02 0.43 -0.03 1.90 4.11 -1.99 -1.38 114.58 117.64 3ibg h GLU 323 Ca -0.05 -0.25 -0.24 0.00 0.07 0.00 0.00 59.36 58.89 3ibg h GLU 323 Cb 1.83 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.11 3ibg h GLU 323 CO 0.15 0.84 -0.95 0.87 0.07 0.00 0.00 179.01 179.99 3ibg h LYS 324 N 0.34 0.59 -0.32 1.06 1.57 -1.91 -2.43 116.57 115.48 3ibg h LYS 324 Ca 0.01 -0.60 -0.05 0.00 -1.87 0.00 0.00 60.65 58.14 3ibg h LYS 324 Cb 1.00 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 3ibg h LYS 324 CO 0.09 1.21 -0.02 -0.07 -0.57 0.00 0.00 179.45 180.09 3ibg h LEU 325 N 0.35 0.46 0.52 2.94 3.38 -1.34 -0.34 115.31 121.27 3ibg h LEU 325 Ca -0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3ibg h LEU 325 Cb 1.59 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.22 3ibg h LEU 325 CO 0.18 0.54 -0.25 -0.08 0.09 0.00 0.00 178.44 178.92 3ibg h GLU 326 N 0.47 -0.67 -0.89 1.13 4.57 -1.22 0.13 114.58 118.11 3ibg h GLU 326 Ca 0.10 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.53 3ibg h GLU 326 Cb 0.34 0.15 -0.12 0.00 -0.16 0.00 0.00 28.75 28.97 3ibg h GLU 326 CO 0.01 -0.37 0.41 -0.22 -1.18 0.00 0.00 179.01 177.66 3ibg h LYS 327 N -1.04 0.44 -0.12 1.92 1.63 -1.35 0.03 116.57 118.08 3ibg h LYS 327 Ca -0.07 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.54 3ibg h LYS 327 Cb 0.61 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3ibg h LYS 327 CO 0.12 0.29 -0.59 0.35 -3.45 0.00 0.00 179.45 176.17 3ibg h PHE 328 N 0.46 0.52 0.00 1.91 3.57 -1.01 -3.12 116.94 119.27 3ibg h PHE 328 Ca 0.54 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 3ibg h PHE 328 Cb 0.96 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3ibg h PHE 328 CO -0.12 0.90 -0.34 0.66 -2.23 0.00 0.00 178.31 177.18 3ibg h SER 329 N 0.31 0.00 -0.34 0.41 4.64 0.94 -2.74 113.55 116.77 3ibg h SER 329 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3ibg h SER 329 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3ibg h SER 329 CO 0.10 0.34 0.16 -0.33 -0.87 0.00 0.00 176.83 176.23 3ibg h GLU 330 N 0.00 0.54 0.00 4.77 4.39 -1.24 -0.80 114.58 122.25 3ibg h GLU 330 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3ibg h GLU 330 Cb 0.73 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3ibg h GLU 330 CO 0.04 0.45 0.00 -1.33 -1.16 0.00 0.00 179.01 177.02 3ibg n MET 331 N -4.39 0.55 0.07 2.33 2.81 -1.03 -0.72 117.12 116.74 3ibg n MET 331 Ca 0.03 0.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.07 3ibg n MET 331 Cb 0.14 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.43 3ibg n MET 331 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ibg n LEU 332 N -1.07 0.69 0.00 4.03 4.77 -0.30 -4.19 117.00 120.93 3ibg n LEU 332 Ca 0.14 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3ibg n LEU 332 Cb 0.09 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3ibg n LEU 332 CO 0.12 -0.08 -0.27 0.55 -1.33 0.00 0.00 177.39 176.38 3ibg n VAL 333 N -2.09 0.00 -3.79 4.08 3.14 -0.64 -1.34 118.33 117.69 3ibg n VAL 333 Ca 0.04 -0.10 -0.30 0.00 -2.96 0.00 0.00 64.34 61.02 3ibg n VAL 333 Cb 0.42 0.55 -0.15 0.00 -1.06 0.00 0.00 33.84 33.60 3ibg n VAL 333 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 3ibg s HIS 334 N -1.29 2.18 0.07 1.45 3.76 0.10 -4.85 115.29 116.71 3ibg s HIS 334 Ca 0.00 -2.11 -0.37 0.00 -0.15 0.00 0.00 55.06 52.43 3ibg s HIS 334 Cb 0.00 -2.00 -0.18 0.00 1.11 0.00 0.00 32.58 31.51 3ibg s HIS 334 CO 0.00 -0.88 1.06 -2.30 -0.85 0.00 0.00 174.74 171.78 3ibg n PRO 335 N 4.52 0.38 -2.29 8.40 -0.02 -1.26 -4.31 135.00 140.42 3ibg n PRO 335 Ca 0.01 0.14 -0.38 0.00 -2.02 0.00 0.00 63.50 61.24 3ibg n PRO 335 Cb 0.41 -1.60 -0.02 0.00 -0.02 0.00 0.00 33.50 32.27 3ibg n PRO 335 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3ibg s TYR 336 N -0.06 3.07 -0.04 6.00 5.04 -1.26 -5.06 117.35 125.04 3ibg s TYR 336 Ca 0.84 1.55 -0.03 0.00 -2.44 0.00 0.00 57.07 56.99 3ibg s TYR 336 Cb -1.11 -3.40 0.02 0.00 0.35 0.00 0.00 41.96 37.82 3ibg s TYR 336 CO 0.54 -1.33 0.11 0.14 -1.34 0.00 0.00 175.55 173.67 3ibg s VAL 337 N -1.40 -0.01 0.00 3.14 -7.23 -1.26 -5.10 120.40 108.54 3ibg s VAL 337 Ca 0.57 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 3ibg s VAL 337 Cb -0.31 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.47 3ibg s VAL 337 CO 0.39 0.02 0.00 -2.65 -0.31 0.00 0.00 175.10 172.55