#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g69 h GLU 48 N 0.00 0.92 -0.56 3.52 5.08 -2.01 -2.55 114.58 118.97 3g69 h GLU 48 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3g69 h GLU 48 Cb 0.00 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3g69 h GLU 48 CO 0.00 0.61 0.32 0.28 -1.00 0.00 0.00 179.01 179.22 3g69 h VAL 49 N 0.95 1.18 -0.40 3.13 2.07 -2.01 -1.24 116.25 119.92 3g69 h VAL 49 Ca 0.36 -0.43 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 3g69 h VAL 49 Cb 0.15 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3g69 h VAL 49 CO -0.17 0.19 -0.31 0.40 0.02 0.00 0.00 177.57 177.70 3g69 h ILE 50 N 0.76 1.27 -0.49 4.57 1.08 -1.92 0.59 117.51 123.37 3g69 h ILE 50 Ca 0.20 -1.47 -0.10 0.00 -0.39 0.00 0.00 64.86 63.10 3g69 h ILE 50 Cb 0.02 1.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3g69 h ILE 50 CO -0.03 0.50 -0.07 0.11 -0.69 0.00 0.00 178.15 177.96 3g69 h LYS 51 N 0.75 0.92 -0.39 2.37 1.57 -1.24 -1.39 116.57 119.17 3g69 h LYS 51 Ca 0.08 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 3g69 h LYS 51 Cb 0.88 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3g69 h LYS 51 CO 0.08 0.98 -0.16 0.93 -0.57 0.00 0.00 179.45 180.71 3g69 h GLU 52 N 0.77 0.79 0.33 3.15 5.08 -0.96 -0.52 114.58 123.22 3g69 h GLU 52 Ca 0.13 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3g69 h GLU 52 Cb 0.62 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3g69 h GLU 52 CO 0.04 0.95 -0.45 0.35 -1.00 0.00 0.00 179.01 178.91 3g69 h PHE 53 N 0.59 -1.24 -0.78 4.33 3.57 -0.76 0.11 116.94 122.76 3g69 h PHE 53 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3g69 h PHE 53 Cb 0.70 0.50 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 3g69 h PHE 53 CO 0.06 -0.58 0.52 -0.44 -2.23 0.00 0.00 178.31 175.63 3g69 h ASP 54 N -0.82 0.89 -0.37 0.41 3.32 -1.15 -1.56 116.42 117.14 3g69 h ASP 54 Ca -0.02 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.02 3g69 h ASP 54 Cb 0.76 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3g69 h ASP 54 CO -0.13 0.65 0.20 -0.08 -1.72 0.00 0.00 179.24 178.15 3g69 h GLU 55 N 1.05 0.40 0.06 3.56 4.57 -0.89 -1.49 114.58 121.84 3g69 h GLU 55 Ca 0.29 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3g69 h GLU 55 Cb -0.12 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.37 3g69 h GLU 55 CO -0.06 0.26 -0.04 1.15 -1.18 0.00 0.00 179.01 179.14 3g69 h THR 56 N 0.41 0.91 -0.79 0.32 2.02 -0.34 -2.39 112.91 113.04 3g69 h THR 56 Ca 0.15 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.43 3g69 h THR 56 Cb 0.03 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3g69 h THR 56 CO -0.09 0.00 0.52 0.58 0.37 0.00 0.00 175.52 176.90 3g69 h VAL 57 N -0.11 0.94 0.00 3.16 2.07 -1.24 -1.19 116.25 119.88 3g69 h VAL 57 Ca -0.00 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3g69 h VAL 57 Cb 0.09 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3g69 h VAL 57 CO -0.00 0.13 -0.06 0.77 0.02 0.00 0.00 177.57 178.43 3g69 h SER 58 N 0.72 0.00 0.17 0.57 4.64 -0.77 -2.62 113.55 116.26 3g69 h SER 58 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3g69 h SER 58 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3g69 h SER 58 CO -0.14 0.06 -0.21 0.00 -0.87 0.00 0.00 176.83 175.67 3g69 n GLN 59 N -3.20 1.04 -2.34 4.77 6.02 -0.47 -4.97 117.38 118.23 3g69 n GLN 59 Ca 0.00 -0.62 -0.32 0.00 -0.01 0.00 0.00 57.00 56.05 3g69 n GLN 59 Cb 0.32 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 3g69 n GLN 59 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3g69 s MET 60 N -2.39 3.89 0.27 -1.09 -1.94 -0.99 -5.03 119.30 112.02 3g69 s MET 60 Ca 0.27 0.96 -0.29 0.00 -1.71 0.00 0.00 55.69 54.91 3g69 s MET 60 Cb 0.20 -2.13 -0.10 0.00 2.01 0.00 0.00 34.83 34.82 3g69 s MET 60 CO 0.48 -0.32 1.25 0.16 -0.01 0.00 0.00 175.02 176.58 3g69 s ASP 61 N -3.12 6.94 0.23 3.03 1.47 -1.26 -4.93 116.67 119.03 3g69 s ASP 61 Ca 0.59 2.48 -0.07 0.00 1.18 0.00 0.00 52.55 56.73 3g69 s ASP 61 Cb -0.10 -2.63 0.21 0.00 -0.34 0.00 0.00 42.92 40.06 3g69 s ASP 61 CO 0.33 -0.43 1.84 0.50 0.68 0.00 0.00 175.17 178.09 3g69 h LYS 62 N 4.22 1.24 -0.31 2.11 1.63 -1.96 -0.08 116.57 123.41 3g69 h LYS 62 Ca -0.47 -0.16 -0.15 0.00 -0.85 0.00 0.00 60.65 59.02 3g69 h LYS 62 Cb 1.22 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.61 3g69 h LYS 62 CO 0.70 0.92 -0.41 0.00 -3.45 0.00 0.00 179.45 177.22 3g69 h ALA 63 N 1.26 0.47 -0.59 5.00 0.00 -2.00 -1.26 119.26 122.15 3g69 h ALA 63 Ca 0.31 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3g69 h ALA 63 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3g69 h ALA 63 CO -0.05 0.58 0.21 1.49 0.00 0.00 0.00 179.25 181.49 3g69 h GLU 64 N 0.60 0.90 -0.92 0.00 4.81 -1.90 -1.73 114.58 116.34 3g69 h GLU 64 Ca 0.04 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3g69 h GLU 64 Cb 1.00 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.18 3g69 h GLU 64 CO 0.10 0.79 0.57 -0.07 -0.73 0.00 0.00 179.01 179.67 3g69 h LEU 65 N 0.82 0.89 -0.22 1.64 3.38 -0.76 -1.81 115.31 119.24 3g69 h LEU 65 Ca 0.19 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3g69 h LEU 65 Cb 0.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3g69 h LEU 65 CO -0.01 0.54 0.04 -0.33 0.09 0.00 0.00 178.44 178.77 3g69 h GLU 66 N 1.01 0.37 -0.31 1.13 5.08 -0.77 -2.57 114.58 118.52 3g69 h GLU 66 Ca 0.41 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3g69 h GLU 66 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3g69 h GLU 66 CO -0.20 0.51 0.14 1.49 -1.00 0.00 0.00 179.01 179.95 3g69 h GLU 67 N 0.17 0.46 -0.88 2.33 4.57 -1.04 0.43 114.58 120.62 3g69 h GLU 67 Ca 0.07 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3g69 h GLU 67 Cb 0.32 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.77 3g69 h GLU 67 CO 0.00 0.45 0.54 0.00 -1.18 0.00 0.00 179.01 178.83 3g69 h ARG 68 N 0.36 0.95 -0.06 1.92 3.08 -1.37 -0.26 114.38 119.00 3g69 h ARG 68 Ca 0.11 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3g69 h ARG 68 Cb 0.15 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3g69 h ARG 68 CO -0.01 0.63 0.01 2.35 -1.07 0.00 0.00 179.97 181.88 3g69 h TRP 69 N 0.98 0.02 -0.80 3.04 2.91 -0.91 -2.04 115.95 119.16 3g69 h TRP 69 Ca 0.39 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.39 3g69 h TRP 69 Cb 0.21 -0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.82 3g69 h TRP 69 CO -0.03 0.01 0.41 0.00 -1.03 0.00 0.00 178.44 177.80 3g69 h ARG 70 N 0.04 1.12 -0.39 2.65 3.08 -0.62 -1.98 114.38 118.29 3g69 h ARG 70 Ca 0.03 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3g69 h ARG 70 Cb 0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3g69 h ARG 70 CO -0.04 0.84 0.07 -0.07 -1.07 0.00 0.00 179.97 179.70 3g69 h LEU 71 N 1.12 0.54 -0.33 3.04 3.38 -0.73 -1.33 115.31 121.01 3g69 h LEU 71 Ca 0.28 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3g69 h LEU 71 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3g69 h LEU 71 CO -0.04 0.57 -0.09 0.00 0.09 0.00 0.00 178.44 178.97 3g69 h ALA 72 N 1.50 0.45 -0.74 1.53 0.00 -0.78 -1.09 119.26 120.13 3g69 h ALA 72 Ca 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3g69 h ALA 72 Cb 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3g69 h ALA 72 CO 0.00 0.30 0.30 1.96 0.00 0.00 0.00 179.25 181.81 3g69 h GLN 73 N 0.42 1.09 -0.49 0.00 4.20 -1.08 -0.96 115.11 118.29 3g69 h GLN 73 Ca 0.08 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 3g69 h GLN 73 Cb 0.59 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3g69 h GLN 73 CO 0.03 0.88 -0.18 0.00 -0.67 0.00 0.00 178.83 178.89 3g69 h ALA 74 N 1.26 0.68 -0.56 3.87 0.00 -1.22 -1.92 119.26 121.37 3g69 h ALA 74 Ca 0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3g69 h ALA 74 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3g69 h ALA 74 CO -0.02 0.65 0.31 0.35 0.00 0.00 0.00 179.25 180.54 3g69 h PHE 75 N 0.85 0.76 0.00 0.00 3.57 -0.59 -0.84 116.94 120.68 3g69 h PHE 75 Ca 0.12 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3g69 h PHE 75 Cb 0.75 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3g69 h PHE 75 CO 0.05 0.55 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.59 3g69 h ASN 76 N 0.75 0.00 0.46 0.41 2.35 -0.94 -2.69 115.58 115.91 3g69 h ASN 76 Ca 0.20 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.64 3g69 h ASN 76 Cb 0.04 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.42 3g69 h ASN 76 CO -0.03 0.18 -1.41 0.00 -1.65 0.00 0.00 177.43 174.52 3g69 h ALA 77 N 1.82 0.05 -0.07 -0.83 0.00 -0.91 -3.29 119.26 116.03 3g69 h ALA 77 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3g69 h ALA 77 Cb 0.46 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g69 h ALA 77 CO 0.02 0.92 0.00 0.25 0.00 0.00 0.00 179.25 180.44 3g69 n THR 78 N -3.58 0.09 -2.56 0.00 -2.24 -0.36 -4.91 114.28 100.71 3g69 n THR 78 Ca -0.14 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 3g69 n THR 78 Cb 1.06 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 3g69 n THR 78 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3g69 s LEU 79 N -1.71 3.84 0.66 3.22 2.96 -1.03 -5.02 118.68 121.61 3g69 s LEU 79 Ca 0.34 0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 55.04 3g69 s LEU 79 Cb 0.17 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3g69 s LEU 79 CO 0.28 -1.03 1.22 -0.54 -1.32 0.00 0.00 176.35 174.96 3g69 s LYS 80 N 4.01 2.53 0.87 1.98 1.02 -1.26 -4.98 119.74 123.90 3g69 s LYS 80 Ca 0.49 1.84 -0.12 0.00 0.02 0.00 0.00 55.97 58.21 3g69 s LYS 80 Cb -0.12 -1.87 0.11 0.00 -0.52 0.00 0.00 37.83 35.43 3g69 s LYS 80 CO 0.22 -1.56 1.11 -1.25 -0.92 0.00 0.00 175.35 172.95 3g69 s PRO 81 N -3.60 1.47 0.27 -1.68 0.04 -1.26 -5.06 135.00 125.18 3g69 s PRO 81 Ca 0.77 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 3g69 s PRO 81 Cb -0.31 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3g69 s PRO 81 CO 0.40 -2.01 0.58 -1.54 0.04 0.00 0.00 177.00 174.47 3g69 s SER 82 N -3.90 -0.09 -0.01 6.66 1.04 -1.26 -5.13 113.70 111.02 3g69 s SER 82 Ca 0.63 -0.87 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 3g69 s SER 82 Cb -0.15 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 3g69 s SER 82 CO 0.54 -1.26 1.08 -0.70 0.98 0.00 0.00 173.24 173.88 3g69 s GLU 83 N -3.81 4.47 -0.35 4.02 2.12 -1.26 -5.02 118.70 118.87 3g69 s GLU 83 Ca 0.19 1.55 -0.21 0.00 0.36 0.00 0.00 54.97 56.86 3g69 s GLU 83 Cb -0.03 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.91 3g69 s GLU 83 CO 0.09 -0.22 0.67 0.42 -0.54 0.00 0.00 175.26 175.68 3g69 s ILE 84 N 1.39 4.86 0.43 -3.70 -1.09 -1.26 -4.94 121.20 116.88 3g69 s ILE 84 Ca 0.54 0.68 0.04 0.00 -2.23 0.00 0.00 60.65 59.68 3g69 s ILE 84 Cb -0.23 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 3g69 s ILE 84 CO 0.26 -0.32 0.61 -1.48 -1.23 0.00 0.00 174.94 172.78 3g69 s LEU 85 N 2.77 3.68 0.04 2.97 0.05 -1.26 -4.88 118.68 122.05 3g69 s LEU 85 Ca 0.26 -0.05 -0.30 0.00 0.05 0.00 0.00 54.13 54.09 3g69 s LEU 85 Cb -0.14 -2.89 -0.08 0.00 -2.05 0.00 0.00 46.19 41.03 3g69 s LEU 85 CO 0.15 -0.71 1.80 -0.62 -0.55 0.00 0.00 176.35 176.42 3g69 s ASP 86 N -4.27 6.53 0.12 1.48 2.15 -1.26 -4.88 116.67 116.54 3g69 s ASP 86 Ca 0.50 2.54 0.25 0.00 0.43 0.00 0.00 52.55 56.27 3g69 s ASP 86 Cb -0.10 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 40.92 3g69 s ASP 86 CO 0.35 -0.98 1.76 -0.81 -0.17 0.00 0.00 175.17 175.32 3g69 n PRO 87 N 6.65 0.12 0.00 4.34 -0.04 -1.26 -2.97 135.00 141.85 3g69 n PRO 87 Ca 0.18 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 3g69 n PRO 87 Cb 0.41 -1.67 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 3g69 n PRO 87 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3g69 n PHE 88 N -1.89 0.04 0.00 0.54 3.72 -1.26 -4.32 117.46 114.29 3g69 n PHE 88 Ca 0.05 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3g69 n PHE 88 Cb 0.32 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3g69 n PHE 88 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3g69 n THR 89 N -1.67 0.00 0.36 4.37 -1.04 -1.16 -4.28 114.28 110.87 3g69 n THR 89 Ca 0.03 0.10 -0.02 0.00 -2.04 0.00 0.00 64.05 62.13 3g69 n THR 89 Cb 0.38 -0.30 0.01 0.00 -1.82 0.00 0.00 70.33 68.59 3g69 n THR 89 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3g69 n GLU 90 N -0.02 1.08 -0.15 -2.82 4.07 -1.25 -4.85 120.64 116.69 3g69 n GLU 90 Ca 0.00 -0.17 -0.07 0.00 -0.06 0.00 0.00 57.16 56.87 3g69 n GLU 90 Cb 0.00 -1.07 -0.01 0.00 -0.06 0.00 0.00 31.44 30.30 3g69 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3g69 n GLN 91 N 0.76 0.00 0.04 5.31 10.64 -1.26 -4.89 117.38 127.99 3g69 n GLN 91 Ca 0.03 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.11 3g69 n GLN 91 Cb 0.54 -0.17 -0.07 0.00 -0.86 0.00 0.00 30.24 29.68 3g69 n GLN 91 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 3g69 h GLU 92 N 1.09 -0.20 0.00 2.61 4.39 -1.88 -3.50 114.58 117.10 3g69 h GLU 92 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3g69 h GLU 92 Cb 0.16 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3g69 h GLU 92 CO 0.13 0.21 0.00 1.63 -1.16 0.00 0.00 179.01 179.83 3g69 n LYS 93 N -4.90 0.00 -3.47 2.33 5.02 -1.26 -4.87 118.16 111.01 3g69 n LYS 93 Ca -0.07 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.08 3g69 n LYS 93 Cb 0.25 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.22 3g69 n LYS 93 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3g69 s LYS 94 N -0.33 1.18 0.00 1.97 -2.85 -1.26 -2.69 119.74 115.76 3g69 s LYS 94 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 3g69 s LYS 94 Cb 0.00 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 3g69 s LYS 94 CO 0.00 -0.46 0.00 1.63 0.10 0.00 0.00 175.35 176.62 3g69 n LYS 95 N 0.17 0.00 0.00 1.78 4.01 -1.26 -4.97 118.16 117.89 3g69 n LYS 95 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 3g69 n LYS 95 Cb 0.62 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.14 3g69 n LYS 95 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g69 n GLY 96 N 0.00 -2.49 0.85 0.72 0.00 -1.26 -5.19 105.19 97.82 3g69 n GLY 96 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.80 3g69 n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g69 n SER 98 N 0.00 -2.56 -1.41 1.61 3.41 -1.26 -5.16 113.62 108.25 3g69 n SER 98 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 3g69 n SER 98 Cb 0.00 -2.65 -0.00 0.00 -0.26 0.00 0.00 64.21 61.29 3g69 n SER 98 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3g69 n GLU 99 N -3.33 0.07 0.18 4.33 0.28 -1.26 -5.05 120.64 115.87 3g69 n GLU 99 Ca -0.03 -1.73 0.05 0.00 -0.16 0.00 0.00 57.16 55.29 3g69 n GLU 99 Cb 0.22 0.11 0.31 0.00 1.43 0.00 0.00 31.44 33.51 3g69 n GLU 99 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 177.13 177.07 3g69 h TYR 100 N 0.74 0.00 -0.57 -1.84 -0.00 -2.05 -3.05 116.97 110.21 3g69 h TYR 100 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.36 3g69 h TYR 100 Cb 1.72 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.43 3g69 h TYR 100 CO 0.07 0.41 0.04 0.00 -0.00 0.00 0.00 178.16 178.68 3g69 n ALA 101 N -2.32 3.92 -0.35 0.10 0.00 -1.26 -4.76 120.51 115.86 3g69 n ALA 101 Ca -0.00 -2.04 0.16 0.00 0.00 0.00 0.00 53.44 51.56 3g69 n ALA 101 Cb 0.52 -1.10 0.37 0.00 0.00 0.00 0.00 19.45 19.24 3g69 n ALA 101 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3g69 h ASN 102 N 3.58 0.70 0.02 0.00 2.35 -1.95 -1.82 115.58 118.45 3g69 h ASN 102 Ca 0.04 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3g69 h ASN 102 Cb 1.99 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.36 3g69 h ASN 102 CO 0.51 0.17 -0.00 0.00 -1.65 0.00 0.00 177.43 176.46 3g69 h MET 103 N 0.64 0.00 0.00 0.81 -0.00 -1.88 -1.79 114.93 112.71 3g69 h MET 103 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.31 3g69 h MET 103 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 3g69 h MET 103 CO -0.42 0.00 -0.81 1.28 -0.00 0.00 0.00 176.91 176.96 3g69 n LEU 104 N -3.62 0.78 -4.70 -0.10 4.77 -0.69 -4.84 117.00 108.61 3g69 n LEU 104 Ca -0.03 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 3g69 n LEU 104 Cb 0.08 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3g69 n LEU 104 CO 0.25 0.19 1.02 -0.54 -1.33 0.00 0.00 177.39 176.99 3g69 s LYS 105 N -3.01 4.34 -0.30 3.23 1.02 -0.67 -4.40 119.74 119.94 3g69 s LYS 105 Ca 0.09 1.90 0.01 0.00 0.02 0.00 0.00 55.97 57.99 3g69 s LYS 105 Cb 0.17 -3.44 0.09 0.00 -0.52 0.00 0.00 37.83 34.13 3g69 s LYS 105 CO 0.80 -0.44 0.06 0.08 -0.92 0.00 0.00 175.35 174.93 3g69 s VAL 106 N 1.72 1.39 -1.38 3.17 1.01 0.10 -4.74 120.40 121.66 3g69 s VAL 106 Ca 0.62 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3g69 s VAL 106 Cb -0.31 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 3g69 s VAL 106 CO 0.27 -0.56 0.45 1.41 0.00 0.00 0.00 175.10 176.68 3g69 n HIS 107 N 4.65 -1.67 0.00 5.22 8.25 -1.26 -1.66 115.22 128.75 3g69 n HIS 107 Ca -0.02 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 3g69 n HIS 107 Cb 0.42 -3.75 0.00 0.00 1.12 0.00 0.00 29.99 27.79 3g69 n HIS 107 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3g69 n GLU 108 N -4.39 0.00 -2.93 -0.41 -0.58 -1.26 -4.99 120.64 106.08 3g69 n GLU 108 Ca -0.30 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.05 3g69 n GLU 108 Cb 0.68 -1.82 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 3g69 n GLU 108 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3g69 s ARG 109 N 0.00 4.62 0.00 3.49 3.00 -0.66 -4.54 118.95 124.85 3g69 s ARG 109 Ca 0.00 1.22 0.16 0.00 0.00 0.00 0.00 55.73 57.11 3g69 s ARG 109 Cb 0.00 -3.27 0.30 0.00 0.00 0.00 0.00 34.95 31.98 3g69 s ARG 109 CO 0.00 0.54 1.21 0.44 0.00 0.00 0.00 175.30 177.49 3g69 n ILE 110 N 1.66 0.53 0.00 1.52 -5.35 -0.18 0.01 119.36 117.55 3g69 n ILE 110 Ca -0.05 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 3g69 n ILE 110 Cb 0.48 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 3g69 n ILE 110 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g69 n GLY 111 N 0.96 0.54 3.43 3.28 0.00 -1.23 -4.27 105.19 107.88 3g69 n GLY 111 Ca 0.14 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 3g69 n GLY 111 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3g69 s TYR 112 N -3.99 -0.49 -0.19 1.61 -0.85 -0.11 -1.75 117.35 111.58 3g69 s TYR 112 Ca 0.00 0.68 -0.09 0.00 -0.52 0.00 0.00 57.07 57.14 3g69 s TYR 112 Cb 0.00 0.36 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 3g69 s TYR 112 CO 0.00 -0.62 0.11 0.54 -1.52 0.00 0.00 175.55 174.06 3g69 s VAL 113 N -1.95 5.25 -0.20 -3.49 0.11 -0.02 -1.14 120.40 118.96 3g69 s VAL 113 Ca -0.08 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 3g69 s VAL 113 Cb -0.01 -3.38 -0.00 0.00 -1.53 0.00 0.00 36.38 31.45 3g69 s VAL 113 CO 0.02 0.46 -0.09 -0.70 -3.33 0.00 0.00 175.10 171.47 3g69 s GLU 114 N 0.28 3.31 -0.47 1.54 2.12 0.47 -0.43 118.70 125.52 3g69 s GLU 114 Ca 0.07 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.76 3g69 s GLU 114 Cb -0.11 -2.87 0.14 0.00 0.26 0.00 0.00 34.13 31.55 3g69 s GLU 114 CO -0.01 -0.13 0.26 0.42 -0.54 0.00 0.00 175.26 175.26 3g69 s ILE 115 N 1.25 1.63 0.53 -3.70 1.01 0.11 -0.72 121.20 121.31 3g69 s ILE 115 Ca 0.03 -2.78 0.30 0.00 0.00 0.00 0.00 60.65 58.19 3g69 s ILE 115 Cb -0.14 -2.14 0.34 0.00 0.01 0.00 0.00 42.46 40.53 3g69 s ILE 115 CO -0.04 -0.90 2.20 -0.65 0.00 0.00 0.00 174.94 175.55 3g69 h PRO 116 N 6.57 0.00 -0.50 2.79 0.11 -1.78 -2.16 132.00 137.03 3g69 h PRO 116 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 3g69 h PRO 116 Cb 0.91 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 3g69 h PRO 116 CO 0.52 0.04 0.33 0.00 -0.21 0.00 0.00 178.00 178.69 3g69 h ALA 117 N 1.96 1.92 0.00 -0.75 0.00 -1.94 -2.68 119.26 117.76 3g69 h ALA 117 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3g69 h ALA 117 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3g69 h ALA 117 CO 0.01 -0.01 -0.20 0.44 0.00 0.00 0.00 179.25 179.49 3g69 n ILE 118 N -4.47 1.51 -3.87 0.00 -5.35 -0.98 -4.98 119.36 101.22 3g69 n ILE 118 Ca 0.07 -1.93 -0.26 0.00 -0.27 0.00 0.00 62.75 60.36 3g69 n ILE 118 Cb 0.25 -0.05 0.01 0.00 -1.74 0.00 0.00 39.64 38.11 3g69 n ILE 118 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3g69 n ASP 119 N -1.05 -2.00 -4.41 7.28 2.03 -0.87 -4.98 116.55 112.55 3g69 n ASP 119 Ca 0.13 -0.88 -0.32 0.00 0.52 0.00 0.00 54.79 54.25 3g69 n ASP 119 Cb 0.68 -3.63 -0.14 0.00 -0.72 0.00 0.00 41.12 37.30 3g69 n ASP 119 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3g69 s GLN 120 N -6.37 2.27 -0.17 -0.67 -1.52 -0.87 -5.02 119.66 107.31 3g69 s GLN 120 Ca 0.23 -0.84 -0.04 0.00 -1.95 0.00 0.00 55.36 52.76 3g69 s GLN 120 Cb -0.12 -2.21 0.06 0.00 -0.22 0.00 0.00 33.01 30.52 3g69 s GLN 120 CO 0.85 0.59 0.07 -1.21 -0.25 0.00 0.00 175.29 175.34 3g69 s GLU 121 N -0.80 0.20 -0.10 2.91 2.02 -1.26 0.07 118.70 121.75 3g69 s GLU 121 Ca 0.11 -0.13 0.04 0.00 0.02 0.00 0.00 54.97 55.00 3g69 s GLU 121 Cb -0.10 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.31 3g69 s GLU 121 CO 0.01 -0.64 -0.21 0.42 0.02 0.00 0.00 175.26 174.85 3g69 s ILE 122 N 2.07 1.87 0.50 -1.63 1.01 0.43 -4.77 121.20 120.69 3g69 s ILE 122 Ca 0.02 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 3g69 s ILE 122 Cb -0.16 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.61 3g69 s ILE 122 CO -0.08 0.52 1.17 -2.16 0.00 0.00 0.00 174.94 174.38 3g69 s PRO 123 N 0.44 3.56 -0.06 2.79 0.04 -1.26 -0.84 135.00 139.66 3g69 s PRO 123 Ca -0.17 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.66 3g69 s PRO 123 Cb -0.17 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 3g69 s PRO 123 CO 0.07 -0.72 -0.14 -1.64 0.04 0.00 0.00 177.00 174.61 3g69 s MET 124 N -2.91 2.58 0.34 4.56 -1.94 -0.72 -0.20 119.30 121.01 3g69 s MET 124 Ca 0.68 -0.69 0.05 0.00 -1.71 0.00 0.00 55.69 54.01 3g69 s MET 124 Cb -0.28 -2.40 -0.07 0.00 2.01 0.00 0.00 34.83 34.09 3g69 s MET 124 CO 0.33 0.59 0.04 0.71 -0.01 0.00 0.00 175.02 176.68 3g69 s TYR 125 N -0.63 2.09 -0.03 -0.03 2.02 0.67 -1.01 117.35 120.42 3g69 s TYR 125 Ca 0.09 -0.87 -0.19 0.00 -0.37 0.00 0.00 57.07 55.73 3g69 s TYR 125 Cb -0.11 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.02 3g69 s TYR 125 CO 0.01 0.13 0.55 0.08 -1.57 0.00 0.00 175.55 174.75 3g69 s VAL 126 N -3.14 4.99 0.00 0.71 1.01 -1.26 -0.71 120.40 122.00 3g69 s VAL 126 Ca 0.36 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3g69 s VAL 126 Cb 0.09 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3g69 s VAL 126 CO 0.16 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3g69 n GLY 127 N 2.60 -0.30 1.95 4.51 0.00 -0.54 -4.77 105.19 108.63 3g69 n GLY 127 Ca -0.07 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 3g69 n GLY 127 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g69 n THR 128 N -0.26 1.36 -1.22 2.61 -2.24 -1.26 -3.45 114.28 109.81 3g69 n THR 128 Ca 0.00 -2.75 -0.32 0.00 -2.27 0.00 0.00 64.05 58.70 3g69 n THR 128 Cb 0.00 0.44 0.11 0.00 -2.10 0.00 0.00 70.33 68.78 3g69 n THR 128 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g69 s SER 129 N -3.20 4.05 0.46 3.42 1.04 -1.26 -4.80 113.70 113.41 3g69 s SER 129 Ca 0.36 2.11 0.14 0.00 0.48 0.00 0.00 55.95 59.04 3g69 s SER 129 Cb 0.37 -2.56 1.09 0.00 0.10 0.00 0.00 66.02 65.02 3g69 s SER 129 CO -0.06 -2.35 2.06 -0.08 0.98 0.00 0.00 173.24 173.79 3g69 h GLU 130 N -0.92 0.27 -0.56 4.02 4.57 -1.89 -1.77 114.58 118.30 3g69 h GLU 130 Ca -0.45 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.66 3g69 h GLU 130 Cb 1.26 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 3g69 h GLU 130 CO 0.48 0.18 0.13 -0.44 -1.18 0.00 0.00 179.01 178.19 3g69 h ASP 131 N 0.28 0.85 0.00 1.04 3.32 -1.87 -0.65 116.42 119.39 3g69 h ASP 131 Ca 0.14 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3g69 h ASP 131 Cb 0.22 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3g69 h ASP 131 CO -0.03 0.86 -0.00 0.40 -1.72 0.00 0.00 179.24 178.75 3g69 h ILE 132 N 0.79 1.23 0.00 0.35 1.08 -1.72 -3.09 117.51 116.16 3g69 h ILE 132 Ca 0.17 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3g69 h ILE 132 Cb 0.35 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 3g69 h ILE 132 CO 0.00 0.18 0.00 0.18 -0.69 0.00 0.00 178.15 177.82 3g69 n LEU 133 N -4.95 0.22 0.27 1.44 4.77 -0.73 -1.09 117.00 116.92 3g69 n LEU 133 Ca -0.08 0.55 0.16 0.00 -0.03 0.00 0.00 56.01 56.60 3g69 n LEU 133 Cb 0.16 -0.51 0.64 0.00 -2.33 0.00 0.00 43.42 41.38 3g69 n LEU 133 CO 0.33 -0.29 0.95 1.56 -1.33 0.00 0.00 177.39 178.62 3g69 h GLN 134 N 0.00 0.00 -0.00 3.23 1.08 -1.02 -3.36 115.11 115.04 3g69 h GLN 134 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3g69 h GLN 134 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3g69 h GLN 134 CO 0.00 0.05 -0.04 0.36 -0.95 0.00 0.00 178.83 178.25 3g69 n LYS 135 N -3.18 3.77 -1.88 1.46 2.85 -0.25 -5.11 118.16 115.82 3g69 n LYS 135 Ca 0.00 -0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 3g69 n LYS 135 Cb 0.33 -0.74 0.00 0.00 -0.65 0.00 0.00 35.03 33.97 3g69 n LYS 135 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3g69 n GLY 136 N 0.67 -0.60 3.86 2.58 0.00 -0.94 -4.74 105.19 106.02 3g69 n GLY 136 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 3g69 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g69 s ALA 137 N -1.00 3.64 -0.07 4.61 0.00 0.73 -4.28 121.76 125.38 3g69 s ALA 137 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.75 3g69 s ALA 137 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 3g69 s ALA 137 CO 0.00 0.50 -0.15 0.20 0.00 0.00 0.00 175.76 176.31 3g69 s GLY 138 N -1.77 1.50 -0.10 0.00 0.00 0.15 -0.24 107.32 106.86 3g69 s GLY 138 Ca 0.36 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.82 3g69 s GLY 138 CO 0.19 -0.60 1.06 -2.27 0.00 0.00 0.00 173.10 171.48 3g69 s LEU 139 N -0.36 4.25 0.18 0.66 2.96 0.11 -1.11 118.68 125.37 3g69 s LEU 139 Ca 0.04 1.59 -0.30 0.00 -0.22 0.00 0.00 54.13 55.24 3g69 s LEU 139 Cb -0.12 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 3g69 s LEU 139 CO 0.02 -0.49 1.29 -0.76 -1.32 0.00 0.00 176.35 175.09 3g69 s LEU 140 N 2.11 4.42 0.24 -0.68 1.43 -0.54 -1.47 118.68 124.19 3g69 s LEU 140 Ca 0.50 2.33 -0.31 0.00 -1.03 0.00 0.00 54.13 55.62 3g69 s LEU 140 Cb -0.20 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.29 3g69 s LEU 140 CO 0.18 -0.50 1.57 1.21 0.23 0.00 0.00 176.35 179.04 3g69 n GLU 141 N 2.80 2.46 -0.68 1.70 2.13 -1.26 -2.50 120.64 125.28 3g69 n GLU 141 Ca 0.06 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.76 3g69 n GLU 141 Cb 0.43 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.51 3g69 n GLU 141 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3g69 n GLY 142 N 2.66 1.36 3.94 8.31 0.00 -1.26 -4.70 105.19 115.51 3g69 n GLY 142 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3g69 n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g69 s ALA 143 N -3.57 3.72 0.74 4.61 0.00 -1.04 -4.70 121.76 121.51 3g69 s ALA 143 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 3g69 s ALA 143 Cb 0.00 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 21.06 3g69 s ALA 143 CO 0.00 -0.05 1.19 -1.12 0.00 0.00 0.00 175.76 175.78 3g69 s SER 144 N -4.06 4.20 0.50 0.00 0.01 -0.94 -4.90 113.70 108.51 3g69 s SER 144 Ca 0.41 2.31 -0.23 0.00 1.31 0.00 0.00 55.95 59.75 3g69 s SER 144 Cb -0.10 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 3g69 s SER 144 CO 0.36 -2.26 1.28 -0.76 0.41 0.00 0.00 173.24 172.28 3g69 s LEU 145 N -5.22 3.95 -1.14 2.44 1.43 -1.26 -4.27 118.68 114.61 3g69 s LEU 145 Ca 0.73 2.59 -0.08 0.00 -1.03 0.00 0.00 54.13 56.34 3g69 s LEU 145 Cb -0.28 -4.22 -0.11 0.00 0.03 0.00 0.00 46.19 41.60 3g69 s LEU 145 CO 0.46 -1.26 2.86 -0.81 0.23 0.00 0.00 176.35 177.83 3g69 n PRO 146 N -0.72 2.97 -0.03 1.29 -0.04 -1.26 -3.99 135.00 133.21 3g69 n PRO 146 Ca 0.09 -1.77 0.05 0.00 -0.04 0.00 0.00 63.50 61.82 3g69 n PRO 146 Cb 0.46 -2.55 0.07 0.00 -0.04 0.00 0.00 33.50 31.44 3g69 n PRO 146 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3g69 n VAL 147 N 3.49 1.41 -4.65 0.52 0.24 -1.26 -4.86 118.33 113.22 3g69 n VAL 147 Ca 0.63 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 3g69 n VAL 147 Cb 0.34 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3g69 n VAL 147 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g69 n GLY 148 N -0.93 -0.49 0.00 7.63 0.00 -1.26 -4.97 105.19 105.18 3g69 n GLY 148 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3g69 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g69 n GLY 149 N 0.00 2.38 3.78 -0.02 0.00 -1.26 -4.89 105.19 105.17 3g69 n GLY 149 Ca 0.00 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 3g69 n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g69 s GLU 150 N -2.67 4.17 -1.32 1.61 2.12 -1.26 -3.26 118.70 118.09 3g69 s GLU 150 Ca 0.00 1.60 -0.05 0.00 0.36 0.00 0.00 54.97 56.88 3g69 s GLU 150 Cb 0.00 -2.61 0.02 0.00 0.26 0.00 0.00 34.13 31.79 3g69 s GLU 150 CO 0.00 -0.16 1.01 -1.71 -0.54 0.00 0.00 175.26 173.87 3g69 n ASN 151 N 0.05 -3.76 -4.17 -1.70 5.15 -0.64 -4.90 115.26 105.29 3g69 n ASN 151 Ca 0.04 -0.65 -0.19 0.00 -0.60 0.00 0.00 54.58 53.19 3g69 n ASN 151 Cb 0.49 -4.74 -0.12 0.00 -0.53 0.00 0.00 39.78 34.87 3g69 n ASN 151 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3g69 s THR 152 N -3.39 1.12 -0.29 -0.44 -4.23 -1.05 -4.95 115.64 102.41 3g69 s THR 152 Ca 0.29 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 3g69 s THR 152 Cb -0.14 -1.07 0.16 0.00 1.34 0.00 0.00 72.50 72.80 3g69 s THR 152 CO 0.76 -0.17 0.43 -2.28 -0.54 0.00 0.00 174.62 172.82 3g69 s HIS 153 N -1.17 -1.06 0.16 3.99 5.04 -1.26 -1.52 115.29 119.47 3g69 s HIS 153 Ca -0.01 0.33 -0.10 0.00 -1.54 0.00 0.00 55.06 53.74 3g69 s HIS 153 Cb -0.09 -0.12 -0.07 0.00 0.04 0.00 0.00 32.58 32.34 3g69 s HIS 153 CO 0.02 -1.00 0.49 -0.08 -2.34 0.00 0.00 174.74 171.83 3g69 s THR 154 N 2.51 4.98 -0.04 0.89 -1.32 -0.92 -2.22 115.64 119.53 3g69 s THR 154 Ca 0.10 0.51 0.01 0.00 -1.21 0.00 0.00 61.69 61.10 3g69 s THR 154 Cb -0.12 -3.66 0.02 0.00 -1.51 0.00 0.00 72.50 67.23 3g69 s THR 154 CO -0.29 0.12 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.53 3g69 s VAL 155 N -1.59 0.42 -0.09 5.08 1.01 -1.26 -1.45 120.40 122.53 3g69 s VAL 155 Ca 0.40 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.36 3g69 s VAL 155 Cb -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3g69 s VAL 155 CO 0.20 0.20 -0.19 -0.63 0.00 0.00 0.00 175.10 174.68 3g69 s ILE 156 N 0.98 1.72 0.03 2.22 1.01 -0.16 -1.47 121.20 125.53 3g69 s ILE 156 Ca -0.10 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.80 3g69 s ILE 156 Cb -0.14 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 3g69 s ILE 156 CO -0.01 0.48 -0.21 -0.89 0.00 0.00 0.00 174.94 174.32 3g69 s THR 157 N 0.50 1.66 0.13 2.92 2.01 -0.27 -0.08 115.64 122.52 3g69 s THR 157 Ca -0.16 -1.15 -0.19 0.00 0.31 0.00 0.00 61.69 60.50 3g69 s THR 157 Cb -0.17 -1.44 0.05 0.00 0.01 0.00 0.00 72.50 70.95 3g69 s THR 157 CO 0.06 0.25 0.47 0.00 -0.69 0.00 0.00 174.62 174.71 3g69 s ALA 158 N -0.75 -1.17 0.62 7.40 0.00 -0.98 0.31 121.76 127.19 3g69 s ALA 158 Ca 0.08 0.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 3g69 s ALA 158 Cb -0.09 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 3g69 s ALA 158 CO 0.01 -0.67 1.31 -1.01 0.00 0.00 0.00 175.76 175.40 3g69 s HIS 159 N -3.66 2.14 -1.56 0.00 3.76 -1.26 -4.45 115.29 110.26 3g69 s HIS 159 Ca 0.02 1.45 -0.11 0.00 -0.15 0.00 0.00 55.06 56.27 3g69 s HIS 159 Cb 0.01 -3.72 -0.04 0.00 1.11 0.00 0.00 32.58 29.94 3g69 s HIS 159 CO -0.11 -2.90 2.73 -2.13 -0.85 0.00 0.00 174.74 171.47 3g69 n ARG 160 N -1.67 3.56 0.00 1.40 3.00 -1.26 -1.50 116.66 120.19 3g69 n ARG 160 Ca 0.14 -2.41 0.00 0.00 -0.00 0.00 0.00 57.85 55.58 3g69 n ARG 160 Cb 0.47 -2.91 0.00 0.00 0.00 0.00 0.00 32.46 30.02 3g69 n ARG 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3g69 n GLY 161 N 3.57 0.09 3.51 5.14 0.00 -1.11 -4.55 105.19 111.85 3g69 n GLY 161 Ca 0.70 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 3g69 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g69 s LEU 162 N -0.78 2.44 0.25 0.99 1.43 0.18 -4.97 118.68 118.22 3g69 s LEU 162 Ca 0.00 -1.37 -0.10 0.00 -1.03 0.00 0.00 54.13 51.63 3g69 s LEU 162 Cb 0.00 -0.57 0.38 0.00 0.03 0.00 0.00 46.19 46.02 3g69 s LEU 162 CO 0.00 -0.55 1.59 -0.65 0.23 0.00 0.00 176.35 176.98 3g69 h PRO 163 N 2.00 0.01 -0.03 1.29 0.11 -2.00 -3.00 132.00 130.38 3g69 h PRO 163 Ca -0.42 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 3g69 h PRO 163 Cb 1.24 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 3g69 h PRO 163 CO 0.74 0.00 -0.63 0.25 -0.21 0.00 0.00 178.00 178.15 3g69 n THR 164 N -5.52 1.75 -3.65 -1.15 -2.24 -1.26 -4.96 114.28 97.25 3g69 n THR 164 Ca 0.13 -2.81 -0.04 0.00 -2.27 0.00 0.00 64.05 59.06 3g69 n THR 164 Cb 0.44 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 3g69 n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g69 s ALA 165 N -2.58 -1.69 0.37 6.98 0.00 -1.13 -5.04 121.76 118.67 3g69 s ALA 165 Ca 0.37 2.00 0.08 0.00 0.00 0.00 0.00 51.96 54.41 3g69 s ALA 165 Cb 0.38 -1.60 0.72 0.00 0.00 0.00 0.00 23.12 22.61 3g69 s ALA 165 CO -0.09 -0.87 1.90 0.93 0.00 0.00 0.00 175.76 177.64 3g69 h GLU 166 N 8.07 0.35 0.00 0.00 4.39 -1.93 0.54 114.58 126.00 3g69 h GLU 166 Ca -0.17 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3g69 h GLU 166 Cb 1.10 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3g69 h GLU 166 CO 0.11 0.44 0.00 1.28 -1.16 0.00 0.00 179.01 179.68 3g69 n LEU 167 N -4.28 0.00 -1.47 1.33 4.77 -1.26 -0.90 117.00 115.19 3g69 n LEU 167 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3g69 n LEU 167 Cb 0.25 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.64 3g69 n LEU 167 CO 0.38 0.00 0.72 0.49 -1.33 0.00 0.00 177.39 177.65 3g69 n PHE 168 N 14.00 1.44 -0.30 -1.77 3.01 -0.56 -4.52 117.46 128.76 3g69 n PHE 168 Ca 0.00 -0.52 0.10 0.00 1.01 0.00 0.00 57.45 58.04 3g69 n PHE 168 Cb 0.00 -0.34 0.27 0.00 -0.01 0.00 0.00 39.48 39.39 3g69 n PHE 168 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3g69 h SER 169 N 3.08 0.46 -0.51 4.37 0.87 -1.12 -0.29 113.55 120.41 3g69 h SER 169 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3g69 h SER 169 Cb 1.48 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 3g69 h SER 169 CO 0.31 0.13 0.00 0.00 -0.53 0.00 0.00 176.83 176.74 3g69 n GLN 170 N -4.94 2.74 0.28 2.24 1.13 -1.26 -4.40 117.38 113.17 3g69 n GLN 170 Ca 0.20 -2.07 0.18 0.00 -1.94 0.00 0.00 57.00 53.37 3g69 n GLN 170 Cb 0.54 -1.61 0.95 0.00 0.11 0.00 0.00 30.24 30.23 3g69 n GLN 170 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3g69 h LEU 171 N 3.12 0.00 -1.70 1.08 5.85 -1.37 -0.56 115.31 121.73 3g69 h LEU 171 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3g69 h LEU 171 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3g69 h LEU 171 CO 0.11 0.00 0.00 -2.24 -0.34 0.00 0.00 178.44 175.97 3g69 h ASP 172 N 0.00 0.00 1.36 1.25 2.03 -1.82 -2.55 116.42 116.69 3g69 h ASP 172 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3g69 h ASP 172 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 3g69 h ASP 172 CO -0.00 0.00 -0.10 0.29 -1.03 0.00 0.00 179.24 178.40 3g69 n LYS 173 N -2.67 0.26 -2.00 4.15 4.76 -0.22 -4.89 118.16 117.55 3g69 n LYS 173 Ca -0.01 0.19 -0.37 0.00 -2.87 0.00 0.00 58.31 55.25 3g69 n LYS 173 Cb 0.15 -1.78 0.02 0.00 -1.84 0.00 0.00 35.03 31.59 3g69 n LYS 173 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3g69 s MET 174 N -3.11 3.27 0.11 1.97 -1.94 -0.96 -5.04 119.30 113.61 3g69 s MET 174 Ca 0.10 1.96 0.05 0.00 -1.71 0.00 0.00 55.69 56.09 3g69 s MET 174 Cb 0.13 -2.19 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 3g69 s MET 174 CO 0.62 -1.00 -0.12 0.15 -0.01 0.00 0.00 175.02 174.66 3g69 s LYS 175 N -2.98 0.95 0.30 2.03 -0.14 -1.26 -5.08 119.74 113.55 3g69 s LYS 175 Ca 0.71 -1.22 -0.29 0.00 -1.36 0.00 0.00 55.97 53.81 3g69 s LYS 175 Cb -0.34 -0.72 -0.13 0.00 -1.68 0.00 0.00 37.83 34.97 3g69 s LYS 175 CO 0.39 0.12 1.30 1.63 -0.76 0.00 0.00 175.35 178.03 3g69 n LYS 176 N 0.49 2.01 0.00 1.68 5.02 -1.26 -1.79 118.16 124.31 3g69 n LYS 176 Ca -0.15 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3g69 n LYS 176 Cb 0.58 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3g69 n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g69 n GLY 177 N 1.27 3.21 3.76 0.72 0.00 0.51 -4.96 105.19 109.70 3g69 n GLY 177 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3g69 n GLY 177 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g69 s ASP 178 N -1.10 5.05 -0.07 1.61 1.01 -0.74 -4.64 116.67 117.79 3g69 s ASP 178 Ca 0.00 2.12 0.05 0.00 0.71 0.00 0.00 52.55 55.43 3g69 s ASP 178 Cb 0.00 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 3g69 s ASP 178 CO 0.00 -1.68 -0.22 -0.63 0.21 0.00 0.00 175.17 172.86 3g69 s ILE 179 N -2.14 1.83 0.20 0.77 1.01 -1.26 -0.19 121.20 121.42 3g69 s ILE 179 Ca 0.70 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3g69 s ILE 179 Cb -0.23 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 3g69 s ILE 179 CO 0.39 0.51 -0.07 0.72 0.00 0.00 0.00 174.94 176.49 3g69 s PHE 180 N 0.08 1.50 -0.02 3.97 -0.12 -0.52 -4.39 117.98 118.49 3g69 s PHE 180 Ca -0.08 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 56.06 3g69 s PHE 180 Cb -0.14 -0.80 -0.00 0.00 -0.63 0.00 0.00 43.02 41.45 3g69 s PHE 180 CO 0.05 0.11 -0.10 0.71 -0.05 0.00 0.00 175.22 175.94 3g69 s TYR 181 N -3.26 0.99 -0.25 3.49 2.02 0.10 -1.48 117.35 118.95 3g69 s TYR 181 Ca 0.23 -0.21 -0.07 0.00 -0.37 0.00 0.00 57.07 56.64 3g69 s TYR 181 Cb 0.03 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 3g69 s TYR 181 CO 0.05 -0.05 0.08 -0.51 -1.57 0.00 0.00 175.55 173.54 3g69 s LEU 182 N -0.07 3.49 -0.36 -1.29 1.43 -0.10 -0.40 118.68 121.37 3g69 s LEU 182 Ca 0.01 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 3g69 s LEU 182 Cb -0.06 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3g69 s LEU 182 CO 0.00 -0.02 0.26 -1.00 0.23 0.00 0.00 176.35 175.82 3g69 s HIS 183 N 1.56 3.23 -0.03 0.29 3.76 -0.29 -0.43 115.29 123.38 3g69 s HIS 183 Ca 0.06 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 3g69 s HIS 183 Cb -0.15 -2.52 0.03 0.00 1.11 0.00 0.00 32.58 31.05 3g69 s HIS 183 CO 0.04 -0.44 0.01 0.08 -0.85 0.00 0.00 174.74 173.59 3g69 s VAL 184 N 1.72 0.09 0.00 -0.90 1.01 -0.47 -0.93 120.40 120.91 3g69 s VAL 184 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3g69 s VAL 184 Cb -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.00 3g69 s VAL 184 CO 0.10 0.13 0.00 0.18 0.00 0.00 0.00 175.10 175.51 3g69 n LEU 185 N 4.24 0.00 -1.61 3.92 4.77 -1.26 0.15 117.00 127.20 3g69 n LEU 185 Ca -0.25 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.82 3g69 n LEU 185 Cb 0.50 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.96 3g69 n LEU 185 CO 0.21 0.00 0.82 -0.90 -1.33 0.00 0.00 177.39 176.20 3g69 n ASP 186 N 1.71 4.87 -4.66 -1.43 5.75 -1.26 -4.97 116.55 116.56 3g69 n ASP 186 Ca 0.00 -2.50 -0.26 0.00 -0.01 0.00 0.00 54.79 52.02 3g69 n ASP 186 Cb 0.00 -0.59 -0.08 0.00 -1.03 0.00 0.00 41.12 39.42 3g69 n ASP 186 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3g69 s GLN 187 N -1.95 2.39 -0.09 0.11 -1.52 0.12 -4.97 119.66 113.75 3g69 s GLN 187 Ca 0.52 -1.15 0.01 0.00 -1.95 0.00 0.00 55.36 52.79 3g69 s GLN 187 Cb 0.34 -2.33 0.02 0.00 -0.22 0.00 0.00 33.01 30.82 3g69 s GLN 187 CO 0.24 0.44 -0.09 0.08 -0.25 0.00 0.00 175.29 175.71 3g69 s VAL 188 N -1.80 1.03 -0.12 1.09 1.01 -1.26 -1.37 120.40 118.99 3g69 s VAL 188 Ca 0.28 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3g69 s VAL 188 Cb -0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3g69 s VAL 188 CO 0.19 0.35 -0.04 -0.76 0.00 0.00 0.00 175.10 174.84 3g69 s LEU 189 N 1.30 3.31 -0.13 3.92 1.02 0.43 -4.36 118.68 124.16 3g69 s LEU 189 Ca -0.03 -0.04 -0.07 0.00 0.02 0.00 0.00 54.13 54.02 3g69 s LEU 189 Cb -0.14 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 3g69 s LEU 189 CO -0.04 0.27 0.11 0.00 0.02 0.00 0.00 176.35 176.71 3g69 s ALA 190 N -0.25 3.69 -0.05 4.21 0.00 -1.26 -0.93 121.76 127.17 3g69 s ALA 190 Ca 0.04 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3g69 s ALA 190 Cb -0.13 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.09 3g69 s ALA 190 CO 0.02 0.49 -0.09 0.71 0.00 0.00 0.00 175.76 176.89 3g69 s TYR 191 N -0.61 1.17 -0.18 0.00 2.02 -0.55 -1.54 117.35 117.66 3g69 s TYR 191 Ca 0.12 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 3g69 s TYR 191 Cb -0.12 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 3g69 s TYR 191 CO 0.02 -0.22 -0.04 -1.14 -1.57 0.00 0.00 175.55 172.60 3g69 s GLN 192 N 0.66 3.59 0.12 -0.62 0.74 0.43 -1.43 119.66 123.14 3g69 s GLN 192 Ca -0.12 -0.55 -0.31 0.00 0.05 0.00 0.00 55.36 54.43 3g69 s GLN 192 Cb -0.14 -2.95 -0.10 0.00 1.10 0.00 0.00 33.01 30.91 3g69 s GLN 192 CO 0.02 0.11 1.86 0.08 -0.55 0.00 0.00 175.29 176.81 3g69 s VAL 193 N 0.71 2.55 0.00 1.34 1.01 0.73 -1.15 120.40 125.59 3g69 s VAL 193 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3g69 s VAL 193 Cb -0.14 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3g69 s VAL 193 CO 0.02 -0.00 0.20 -0.90 0.00 0.00 0.00 175.10 174.42 3g69 n ASP 194 N 5.88 0.41 -3.70 3.32 5.75 0.07 -0.36 116.55 127.91 3g69 n ASP 194 Ca 0.18 -0.71 -0.13 0.00 -0.01 0.00 0.00 54.79 54.13 3g69 n ASP 194 Cb 0.38 0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 40.74 3g69 n ASP 194 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3g69 s GLN 195 N -0.36 0.54 -0.15 0.11 0.74 -1.12 -5.02 119.66 114.40 3g69 s GLN 195 Ca 0.00 0.71 -0.03 0.00 0.05 0.00 0.00 55.36 56.10 3g69 s GLN 195 Cb 0.00 0.21 0.05 0.00 1.10 0.00 0.00 33.01 34.37 3g69 s GLN 195 CO 0.00 -0.09 0.04 0.42 -0.55 0.00 0.00 175.29 175.11 3g69 s ILE 196 N 0.53 0.36 0.08 -2.34 1.01 -1.26 -0.59 121.20 118.99 3g69 s ILE 196 Ca -0.02 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.43 3g69 s ILE 196 Cb -0.04 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3g69 s ILE 196 CO -0.03 -0.07 -0.14 0.68 0.00 0.00 0.00 174.94 175.38 3g69 s VAL 197 N 1.95 1.18 -0.11 2.92 -7.23 -0.87 -5.00 120.40 113.24 3g69 s VAL 197 Ca 0.02 -1.42 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 3g69 s VAL 197 Cb -0.15 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 3g69 s VAL 197 CO -0.07 -0.27 0.03 -0.89 -0.31 0.00 0.00 175.10 173.59 3g69 s THR 198 N -1.49 4.54 0.06 5.32 2.01 -1.26 -0.96 115.64 123.85 3g69 s THR 198 Ca 0.01 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 3g69 s THR 198 Cb -0.09 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 3g69 s THR 198 CO 0.02 0.58 -0.04 0.68 -0.69 0.00 0.00 174.62 175.17 3g69 s VAL 199 N -0.62 0.36 0.65 3.82 -7.23 -0.17 -4.96 120.40 112.26 3g69 s VAL 199 Ca 0.11 -1.75 -0.17 0.00 -1.81 0.00 0.00 61.98 58.36 3g69 s VAL 199 Cb -0.12 -1.43 -0.00 0.00 0.56 0.00 0.00 36.38 35.39 3g69 s VAL 199 CO 0.02 -0.90 1.22 -1.61 -0.31 0.00 0.00 175.10 173.52 3g69 s GLU 200 N -3.61 2.60 0.65 4.82 0.41 -1.26 -0.46 118.70 121.85 3g69 s GLU 200 Ca 0.06 1.82 0.33 0.00 -0.41 0.00 0.00 54.97 56.77 3g69 s GLU 200 Cb 0.05 -1.88 1.82 0.00 -1.78 0.00 0.00 34.13 32.34 3g69 s GLU 200 CO -0.07 -1.50 2.05 -1.35 -0.49 0.00 0.00 175.26 173.90 3g69 h PRO 201 N 0.36 0.00 -0.42 0.39 0.11 -1.93 -1.98 132.00 128.53 3g69 h PRO 201 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3g69 h PRO 201 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3g69 h PRO 201 CO 0.53 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.59 3g69 n ASN 202 N -3.13 4.74 -2.73 -2.05 0.23 -1.26 -4.48 115.26 106.57 3g69 n ASN 202 Ca -0.01 -2.93 -0.27 0.00 -0.53 0.00 0.00 54.58 50.84 3g69 n ASN 202 Cb 0.32 -0.60 -0.02 0.00 -2.08 0.00 0.00 39.78 37.40 3g69 n ASN 202 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3g69 n ASP 203 N 0.10 4.71 -1.21 0.53 9.92 -0.75 -4.94 116.55 124.91 3g69 n ASP 203 Ca 0.24 -3.71 0.05 0.00 -0.53 0.00 0.00 54.79 50.85 3g69 n ASP 203 Cb 1.02 -0.53 0.23 0.00 -0.64 0.00 0.00 41.12 41.20 3g69 n ASP 203 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3g69 n PHE 204 N -0.36 1.09 -0.32 1.24 0.99 -1.26 -4.49 117.46 114.34 3g69 n PHE 204 Ca 0.36 -0.40 0.20 0.00 -0.00 0.00 0.00 57.45 57.60 3g69 n PHE 204 Cb 0.51 -0.26 0.40 0.00 -1.00 0.00 0.00 39.48 39.14 3g69 n PHE 204 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3g69 h GLU 205 N 2.48 0.12 0.00 -1.08 3.07 -1.93 -2.89 114.58 114.35 3g69 h GLU 205 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3g69 h GLU 205 Cb 1.18 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3g69 h GLU 205 CO 0.22 0.08 0.00 -2.30 -1.40 0.00 0.00 179.01 175.61 3g69 n PRO 206 N -5.28 0.05 -0.48 2.33 -0.02 -1.26 -1.57 135.00 128.77 3g69 n PRO 206 Ca 0.28 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 62.11 3g69 n PRO 206 Cb 0.91 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 33.16 3g69 n PRO 206 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3g69 n VAL 207 N -1.32 2.09 -2.87 -1.45 0.24 -1.09 -5.00 118.33 108.93 3g69 n VAL 207 Ca 0.02 -1.59 -0.39 0.00 -2.04 0.00 0.00 64.34 60.34 3g69 n VAL 207 Cb 0.04 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.26 3g69 n VAL 207 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g69 s LEU 208 N -2.40 4.58 -0.05 1.34 1.43 -0.61 -4.94 118.68 118.03 3g69 s LEU 208 Ca 0.42 1.78 -0.33 0.00 -1.03 0.00 0.00 54.13 54.97 3g69 s LEU 208 Cb 0.31 -3.51 -0.11 0.00 0.03 0.00 0.00 46.19 42.92 3g69 s LEU 208 CO 0.13 0.15 1.93 -0.38 0.23 0.00 0.00 176.35 178.41 3g69 n ILE 209 N 1.41 0.64 -3.62 -0.59 5.41 -1.26 -4.95 119.36 116.39 3g69 n ILE 209 Ca -0.03 -0.13 -0.39 0.00 1.00 0.00 0.00 62.75 63.21 3g69 n ILE 209 Cb 0.48 -2.04 -0.11 0.00 -0.71 0.00 0.00 39.64 37.26 3g69 n ILE 209 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3g69 s GLN 210 N 4.30 3.51 0.12 0.38 -0.21 -1.26 -5.05 119.66 121.46 3g69 s GLN 210 Ca 0.92 -0.61 -0.25 0.00 0.02 0.00 0.00 55.36 55.44 3g69 s GLN 210 Cb -0.60 -3.62 -0.14 0.00 1.00 0.00 0.00 33.01 29.65 3g69 s GLN 210 CO 0.48 -0.36 0.52 1.58 -2.12 0.00 0.00 175.29 175.40 3g69 n HIS 211 N 5.02 -0.19 -0.98 0.91 -0.00 -1.26 -2.09 115.22 116.63 3g69 n HIS 211 Ca -0.14 0.80 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 3g69 n HIS 211 Cb 0.50 -1.61 0.00 0.00 -0.00 0.00 0.00 29.99 28.88 3g69 n HIS 211 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3g69 n GLY 212 N 1.53 0.76 3.25 1.57 0.00 -1.26 -4.90 105.19 106.13 3g69 n GLY 212 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3g69 n GLY 212 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g69 s GLU 213 N -0.09 1.05 -0.35 1.61 0.41 -0.89 -4.73 118.70 115.72 3g69 s GLU 213 Ca 0.00 -1.33 0.03 0.00 -0.41 0.00 0.00 54.97 53.26 3g69 s GLU 213 Cb 0.00 -0.81 0.10 0.00 -1.78 0.00 0.00 34.13 31.64 3g69 s GLU 213 CO 0.00 0.14 0.08 0.34 -0.49 0.00 0.00 175.26 175.32 3g69 s ASP 214 N -2.76 4.58 0.25 -0.19 -1.08 -1.26 -1.61 116.67 114.60 3g69 s ASP 214 Ca 0.12 -2.13 0.09 0.00 -0.52 0.00 0.00 52.55 50.11 3g69 s ASP 214 Cb -0.02 -1.48 -0.04 0.00 -1.46 0.00 0.00 42.92 39.92 3g69 s ASP 214 CO 0.02 -0.37 -0.00 -0.31 0.52 0.00 0.00 175.17 175.03 3g69 s TYR 215 N 0.94 2.73 -0.05 -5.34 2.02 -0.58 -1.36 117.35 115.71 3g69 s TYR 215 Ca 0.11 -0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3g69 s TYR 215 Cb -0.19 -1.23 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3g69 s TYR 215 CO -0.10 0.59 0.10 0.00 -1.57 0.00 0.00 175.55 174.57 3g69 s ALA 216 N -2.18 -0.12 -0.07 3.71 0.00 -0.13 -2.16 121.76 120.81 3g69 s ALA 216 Ca 0.30 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.83 3g69 s ALA 216 Cb -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3g69 s ALA 216 CO 0.19 -0.18 -0.18 0.99 0.00 0.00 0.00 175.76 176.58 3g69 s THR 217 N 1.26 2.69 -0.22 0.00 2.01 -0.53 0.56 115.64 121.41 3g69 s THR 217 Ca -0.08 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 60.99 3g69 s THR 217 Cb -0.12 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 3g69 s THR 217 CO -0.05 0.57 0.13 -0.76 -0.69 0.00 0.00 174.62 173.82 3g69 s LEU 218 N -0.27 4.04 -0.13 4.42 1.43 -0.32 -0.99 118.68 126.86 3g69 s LEU 218 Ca 0.01 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3g69 s LEU 218 Cb -0.13 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.03 3g69 s LEU 218 CO 0.03 0.10 -0.21 -0.22 0.23 0.00 0.00 176.35 176.27 3g69 s LEU 219 N 0.85 2.04 0.31 1.79 2.96 0.89 -1.20 118.68 126.33 3g69 s LEU 219 Ca 0.07 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3g69 s LEU 219 Cb -0.13 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3g69 s LEU 219 CO 0.03 0.08 0.29 0.28 -1.32 0.00 0.00 176.35 175.71 3g69 s THR 220 N 0.78 0.00 0.35 3.68 -1.32 -0.73 -2.33 115.64 116.07 3g69 s THR 220 Ca -0.09 -1.93 -0.02 0.00 -1.21 0.00 0.00 61.69 58.45 3g69 s THR 220 Cb -0.16 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 3g69 s THR 220 CO -0.00 0.00 0.58 0.00 -2.21 0.00 0.00 174.62 172.99 3g69 s THR 222 N -2.31 0.00 1.04 0.00 -1.32 0.18 -4.67 115.64 108.56 3g69 s THR 222 Ca 0.42 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.78 3g69 s THR 222 Cb -0.10 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.11 3g69 s THR 222 CO 0.36 0.00 1.07 -2.16 -2.21 0.00 0.00 174.62 171.68 3g69 s PRO 223 N -1.44 0.04 0.12 7.08 0.05 -1.26 0.30 135.00 139.89 3g69 s PRO 223 Ca -0.07 0.90 -0.35 0.00 0.05 0.00 0.00 61.00 61.53 3g69 s PRO 223 Cb -0.00 -1.66 -0.15 0.00 0.05 0.00 0.00 34.50 32.74 3g69 s PRO 223 CO 0.05 -3.10 1.53 0.98 0.05 0.00 0.00 177.00 176.51 3g69 n TYR 224 N -4.49 2.06 -0.54 0.56 9.36 -1.26 -1.30 117.16 121.55 3g69 n TYR 224 Ca 0.06 0.36 0.00 0.00 3.32 0.00 0.00 57.90 61.64 3g69 n TYR 224 Cb 0.55 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 3g69 n TYR 224 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3g69 n MET 225 N 3.36 0.00 -0.09 2.98 2.81 -1.26 -4.69 117.12 120.24 3g69 n MET 225 Ca 0.18 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.89 3g69 n MET 225 Cb 0.26 -3.41 -0.06 0.00 -0.71 0.00 0.00 33.22 29.29 3g69 n MET 225 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3g69 n ILE 226 N -2.00 0.97 -2.70 2.02 5.41 -0.90 -5.04 119.36 117.11 3g69 n ILE 226 Ca 0.00 -0.26 -0.20 0.00 1.00 0.00 0.00 62.75 63.29 3g69 n ILE 226 Cb 0.00 -1.66 0.02 0.00 -0.71 0.00 0.00 39.64 37.28 3g69 n ILE 226 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3g69 n ASN 227 N -3.70 -5.70 0.18 4.38 3.02 -0.42 -4.87 115.26 108.15 3g69 n ASN 227 Ca -0.34 -0.16 0.07 0.00 -0.03 0.00 0.00 54.58 54.12 3g69 n ASN 227 Cb 0.75 -4.62 0.14 0.00 -0.61 0.00 0.00 39.78 35.44 3g69 n ASN 227 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3g69 h SER 228 N -0.74 0.00 -3.16 6.41 4.64 -1.75 -3.43 113.55 115.52 3g69 h SER 228 Ca -0.48 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.34 3g69 h SER 228 Cb 1.34 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.29 3g69 h SER 228 CO 0.53 0.26 -0.57 -1.00 -0.87 0.00 0.00 176.83 175.18 3g69 s HIS 229 N -3.14 1.87 -0.08 4.77 3.76 0.15 -4.41 115.29 118.21 3g69 s HIS 229 Ca 0.05 -1.10 0.03 0.00 -0.15 0.00 0.00 55.06 53.89 3g69 s HIS 229 Cb 0.07 -1.23 0.01 0.00 1.11 0.00 0.00 32.58 32.54 3g69 s HIS 229 CO 0.70 -0.12 -0.18 1.03 -0.85 0.00 0.00 174.74 175.32 3g69 s ARG 230 N -3.83 2.26 -0.29 1.40 1.81 0.40 -0.65 118.95 120.04 3g69 s ARG 230 Ca 0.30 -0.63 -0.12 0.00 -1.72 0.00 0.00 55.73 53.56 3g69 s ARG 230 Cb 0.06 -1.79 -0.04 0.00 -0.45 0.00 0.00 34.95 32.73 3g69 s ARG 230 CO 0.14 0.12 0.24 -1.17 -0.68 0.00 0.00 175.30 173.96 3g69 s LEU 231 N 0.45 4.13 -0.25 2.53 2.96 0.01 -1.00 118.68 127.51 3g69 s LEU 231 Ca -0.15 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3g69 s LEU 231 Cb -0.16 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.35 3g69 s LEU 231 CO 0.06 -0.12 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.16 3g69 s LEU 232 N 1.83 3.21 -0.39 -0.68 1.02 -0.14 -1.78 118.68 121.76 3g69 s LEU 232 Ca 0.09 -0.81 -0.08 0.00 0.02 0.00 0.00 54.13 53.34 3g69 s LEU 232 Cb -0.16 -1.69 0.06 0.00 0.02 0.00 0.00 46.19 44.42 3g69 s LEU 232 CO 0.11 -0.12 0.21 -0.69 0.02 0.00 0.00 176.35 175.87 3g69 s VAL 233 N 1.35 4.10 -0.19 -1.59 1.01 -0.34 -2.05 120.40 122.70 3g69 s VAL 233 Ca 0.01 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 3g69 s VAL 233 Cb -0.16 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 3g69 s VAL 233 CO -0.04 -0.39 0.28 -0.60 0.00 0.00 0.00 175.10 174.36 3g69 s ARG 234 N 1.42 4.19 0.15 2.72 3.52 0.25 -1.18 118.95 130.02 3g69 s ARG 234 Ca 0.02 0.02 0.09 0.00 -0.13 0.00 0.00 55.73 55.73 3g69 s ARG 234 Cb -0.21 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 3g69 s ARG 234 CO 0.03 0.13 -0.13 0.20 -0.81 0.00 0.00 175.30 174.71 3g69 s GLY 235 N 0.75 1.73 -0.04 8.12 0.00 0.19 -0.75 107.32 117.32 3g69 s GLY 235 Ca 0.15 -1.42 0.04 0.00 0.00 0.00 0.00 44.72 43.48 3g69 s GLY 235 CO 0.05 -1.42 -0.14 1.25 0.00 0.00 0.00 173.10 172.84 3g69 s LYS 236 N -2.54 2.49 0.40 2.90 2.20 -0.30 -0.96 119.74 123.93 3g69 s LYS 236 Ca 0.22 -0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 54.86 3g69 s LYS 236 Cb -0.10 -2.39 -0.10 0.00 -1.51 0.00 0.00 37.83 33.74 3g69 s LYS 236 CO 0.13 0.62 1.39 -2.13 -0.36 0.00 0.00 175.35 175.00 3g69 n ARG 237 N 2.19 2.28 -4.25 4.03 3.00 -0.47 -0.43 116.66 123.02 3g69 n ARG 237 Ca -0.17 0.81 -0.14 0.00 -0.00 0.00 0.00 57.85 58.34 3g69 n ARG 237 Cb 0.52 -2.53 -0.10 0.00 0.00 0.00 0.00 32.46 30.35 3g69 n ARG 237 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3g69 s ILE 238 N -1.16 1.06 0.08 5.15 -4.36 -0.59 -4.83 121.20 116.55 3g69 s ILE 238 Ca 0.58 -2.04 -0.31 0.00 -0.26 0.00 0.00 60.65 58.62 3g69 s ILE 238 Cb -0.49 -1.93 -0.08 0.00 1.25 0.00 0.00 42.46 41.21 3g69 s ILE 238 CO 0.60 -0.68 1.49 -2.84 0.24 0.00 0.00 174.94 173.76 3g69 s PRO 239 N -3.79 4.26 -0.28 0.37 0.02 -1.26 -4.34 135.00 129.98 3g69 s PRO 239 Ca 0.18 2.16 -0.17 0.00 0.02 0.00 0.00 61.00 63.19 3g69 s PRO 239 Cb 0.04 -3.40 0.10 0.00 0.02 0.00 0.00 34.50 31.26 3g69 s PRO 239 CO 0.01 -0.57 0.80 -0.47 -0.33 0.00 0.00 177.00 176.44 3g69 s TYR 240 N 1.82 -0.85 -0.06 6.54 5.04 -1.26 -4.96 117.35 123.61 3g69 s TYR 240 Ca 0.68 1.75 0.04 0.00 -2.44 0.00 0.00 57.07 57.09 3g69 s TYR 240 Cb -0.37 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.43 3g69 s TYR 240 CO 0.30 -0.42 -0.16 0.99 -1.34 0.00 0.00 175.55 174.92 3g69 s THR 241 N 1.33 1.40 0.31 4.34 2.01 -1.26 -4.71 115.64 119.06 3g69 s THR 241 Ca -0.08 -0.67 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 3g69 s THR 241 Cb -0.05 -1.22 -0.14 0.00 0.01 0.00 0.00 72.50 71.11 3g69 s THR 241 CO -0.16 0.41 1.01 0.00 -0.69 0.00 0.00 174.62 175.20 3g69 n ALA 242 N 3.40 -0.12 -1.77 7.40 0.00 -1.26 -4.93 120.51 123.24 3g69 n ALA 242 Ca -0.20 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 3g69 n ALA 242 Cb 0.53 -2.03 -0.00 0.00 0.00 0.00 0.00 19.45 17.94 3g69 n ALA 242 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3g69 s PRO 243 N -1.62 3.61 0.00 0.00 0.02 -1.26 -5.04 135.00 130.71 3g69 s PRO 243 Ca 0.59 1.74 0.02 0.00 0.02 0.00 0.00 61.00 63.37 3g69 s PRO 243 Cb -0.67 -2.28 0.01 0.00 0.02 0.00 0.00 34.50 31.58 3g69 s PRO 243 CO 0.60 -0.66 0.55 1.51 -0.33 0.00 0.00 177.00 178.66