#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i41 s ASP 9 N 0.00 6.64 0.25 8.00 1.01 -1.26 -4.97 116.67 126.33 3i41 s ASP 9 Ca 0.00 2.51 0.03 0.00 0.71 0.00 0.00 52.55 55.81 3i41 s ASP 9 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3i41 s ASP 9 CO 0.00 -0.82 0.39 -0.76 0.21 0.00 0.00 175.17 174.20 3i41 s LEU 10 N 1.66 4.25 -0.24 1.23 1.43 -1.26 -5.00 118.68 120.75 3i41 s LEU 10 Ca 0.70 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.94 3i41 s LEU 10 Cb -0.41 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 3i41 s LEU 10 CO 0.31 -0.10 0.01 -0.54 0.23 0.00 0.00 176.35 176.26 3i41 s LYS 11 N -3.90 3.44 0.22 1.70 1.02 -1.26 -4.43 119.74 116.52 3i41 s LYS 11 Ca 0.36 -0.60 0.09 0.00 0.02 0.00 0.00 55.97 55.84 3i41 s LYS 11 Cb -0.10 -3.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 3i41 s LYS 11 CO 0.30 -0.22 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.82 3i41 s LEU 12 N 1.53 2.53 -0.01 3.17 1.02 -0.27 0.20 118.68 126.86 3i41 s LEU 12 Ca 0.06 -0.98 0.06 0.00 0.02 0.00 0.00 54.13 53.29 3i41 s LEU 12 Cb -0.15 -0.87 -0.02 0.00 0.02 0.00 0.00 46.19 45.17 3i41 s LEU 12 CO -0.00 -0.06 -0.20 -0.69 0.02 0.00 0.00 176.35 175.43 3i41 s VAL 13 N -2.54 1.55 -0.07 -1.59 1.01 -0.90 -0.79 120.40 117.07 3i41 s VAL 13 Ca 0.23 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3i41 s VAL 13 Cb -0.04 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3i41 s VAL 13 CO 0.10 0.40 -0.19 -0.55 0.00 0.00 0.00 175.10 174.86 3i41 s SER 14 N -0.55 3.59 -0.13 3.32 0.15 -0.56 -0.36 113.70 119.16 3i41 s SER 14 Ca 0.07 -0.37 -0.06 0.00 0.70 0.00 0.00 55.95 56.30 3i41 s SER 14 Cb -0.08 -0.99 0.06 0.00 -1.71 0.00 0.00 66.02 63.30 3i41 s SER 14 CO -0.00 0.26 0.28 -2.28 1.20 0.00 0.00 173.24 172.70 3i41 s HIS 15 N -0.26 -0.44 -0.49 3.44 2.46 0.03 -1.31 115.29 118.72 3i41 s HIS 15 Ca 0.00 0.99 -0.29 0.00 0.47 0.00 0.00 55.06 56.24 3i41 s HIS 15 Cb -0.13 0.05 0.02 0.00 -0.13 0.00 0.00 32.58 32.39 3i41 s HIS 15 CO 0.03 -0.33 1.25 1.21 -2.47 0.00 0.00 174.74 174.44 3i41 s ASN 16 N 1.97 6.46 0.00 9.88 3.84 -1.26 -0.86 114.94 134.97 3i41 s ASN 16 Ca -0.03 0.47 0.26 0.00 0.21 0.00 0.00 52.86 53.77 3i41 s ASN 16 Cb -0.11 -2.55 0.73 0.00 -0.55 0.00 0.00 41.25 38.77 3i41 s ASN 16 CO -0.09 -1.40 1.56 1.33 -2.79 0.00 0.00 177.10 175.71 3i41 n VAL 17 N 6.88 0.01 -3.64 -5.21 0.24 -0.00 -4.31 118.33 112.30 3i41 n VAL 17 Ca 0.13 -0.35 -0.21 0.00 -2.04 0.00 0.00 64.34 61.87 3i41 n VAL 17 Cb 0.49 0.87 0.05 0.00 -1.47 0.00 0.00 33.84 33.77 3i41 n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i41 n TYR 18 N 0.62 -1.99 -2.79 6.34 9.36 -1.25 -4.67 117.16 122.78 3i41 n TYR 18 Ca 0.17 0.87 -0.42 0.00 3.32 0.00 0.00 57.90 61.83 3i41 n TYR 18 Cb 0.45 -4.55 0.01 0.00 -0.63 0.00 0.00 39.34 34.62 3i41 n TYR 18 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3i41 n MET 19 N -4.26 4.59 -1.18 2.98 2.81 0.11 -4.92 117.12 117.27 3i41 n MET 19 Ca -0.29 -4.40 -0.32 0.00 -1.81 0.00 0.00 57.70 50.89 3i41 n MET 19 Cb 0.67 -2.56 0.11 0.00 -0.71 0.00 0.00 33.22 30.73 3i41 n MET 19 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i41 s LEU 20 N -2.76 3.06 0.05 4.03 1.43 -1.26 -0.77 118.68 122.45 3i41 s LEU 20 Ca 0.35 2.01 -0.37 0.00 -1.03 0.00 0.00 54.13 55.09 3i41 s LEU 20 Cb 0.09 -4.55 -0.17 0.00 0.03 0.00 0.00 46.19 41.59 3i41 s LEU 20 CO 0.04 -2.32 1.33 -0.24 0.23 0.00 0.00 176.35 175.39 3i41 n SER 21 N -3.49 1.46 0.02 2.29 2.88 -1.26 -4.29 113.62 111.23 3i41 n SER 21 Ca 0.11 1.12 0.13 0.00 -1.33 0.00 0.00 58.87 58.90 3i41 n SER 21 Cb 0.52 -1.15 0.47 0.00 -0.75 0.00 0.00 64.21 63.31 3i41 n SER 21 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3i41 n THR 22 N 2.53 0.12 -0.03 2.46 -2.24 -1.26 -0.35 114.28 115.50 3i41 n THR 22 Ca 0.19 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.76 3i41 n THR 22 Cb 0.17 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 3i41 n THR 22 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3i41 h VAL 23 N 0.00 1.47 0.12 2.28 2.07 -1.97 -3.02 116.25 117.19 3i41 h VAL 23 Ca 0.00 -1.61 -0.29 0.00 0.82 0.00 0.00 66.70 65.62 3i41 h VAL 23 Cb 0.56 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3i41 h VAL 23 CO 0.00 0.44 -1.39 -0.07 0.02 0.00 0.00 177.57 176.57 3i41 h LEU 24 N -0.38 0.39 -6.42 2.57 3.38 -1.94 -3.41 115.31 109.49 3i41 h LEU 24 Ca -0.01 -0.47 -0.59 0.00 0.09 0.00 0.00 57.88 56.90 3i41 h LEU 24 Cb 0.80 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 41.02 3i41 h LEU 24 CO 0.03 1.38 -0.80 -1.22 0.09 0.00 0.00 178.44 177.92 3i41 n TYR 25 N -3.48 1.46 0.58 1.13 4.01 0.52 -4.95 117.16 116.44 3i41 n TYR 25 Ca -0.12 -3.85 0.12 0.00 -0.16 0.00 0.00 57.90 53.89 3i41 n TYR 25 Cb 1.03 -0.32 0.45 0.00 -0.31 0.00 0.00 39.34 40.19 3i41 n TYR 25 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3i41 n PRO 26 N 1.77 0.19 -1.21 -0.72 -0.04 -1.14 -3.95 135.00 129.90 3i41 n PRO 26 Ca 0.25 0.26 -0.23 0.00 -0.04 0.00 0.00 63.50 63.74 3i41 n PRO 26 Cb 0.44 -1.77 0.17 0.00 -0.04 0.00 0.00 33.50 32.30 3i41 n PRO 26 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i41 n ASN 27 N -2.12 3.89 -0.51 3.54 5.03 -1.26 -4.50 115.26 119.33 3i41 n ASN 27 Ca 0.04 -3.64 0.05 0.00 0.87 0.00 0.00 54.58 51.90 3i41 n ASN 27 Cb 0.33 -0.83 0.13 0.00 -1.02 0.00 0.00 39.78 38.39 3i41 n ASN 27 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 3i41 n TRP 28 N -1.13 0.39 -2.26 3.10 5.03 -1.25 -4.97 117.44 116.34 3i41 n TRP 28 Ca 0.58 -0.53 -0.20 0.00 3.03 0.00 0.00 57.50 60.39 3i41 n TRP 28 Cb 1.57 -0.05 -0.02 0.00 -1.03 0.00 0.00 31.31 31.78 3i41 n TRP 28 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3i41 n GLY 29 N 0.22 -0.12 0.21 6.99 0.00 -1.26 -4.90 105.19 106.34 3i41 n GLY 29 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 3i41 n GLY 29 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i41 h GLN 30 N 0.00 0.25 -0.10 1.61 7.50 -1.91 0.66 115.11 123.13 3i41 h GLN 30 Ca -0.46 -0.02 -0.23 0.00 0.50 0.00 0.00 58.65 58.45 3i41 h GLN 30 Cb 1.34 -0.06 0.01 0.00 0.05 0.00 0.00 27.48 28.82 3i41 h GLN 30 CO 0.56 0.17 -0.83 1.88 -1.50 0.00 0.00 178.83 179.11 3i41 h TYR 31 N 0.26 1.03 -0.48 2.96 0.05 -1.91 -0.77 116.97 118.11 3i41 h TYR 31 Ca 0.28 -0.49 0.06 0.00 0.05 0.00 0.00 58.73 58.63 3i41 h TYR 31 Cb 0.38 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 3i41 h TYR 31 CO -0.23 1.32 0.20 -0.22 -1.05 0.00 0.00 178.16 178.18 3i41 h LYS 32 N 0.45 0.38 -0.07 4.88 1.63 -1.81 -2.47 116.57 119.56 3i41 h LYS 32 Ca -0.07 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.60 3i41 h LYS 32 Cb 1.47 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.00 3i41 h LYS 32 CO 0.17 0.25 -0.45 0.00 -3.45 0.00 0.00 179.45 175.97 3i41 h ARG 33 N 0.39 0.15 -0.87 1.90 3.08 0.42 -1.56 114.38 117.90 3i41 h ARG 33 Ca 0.22 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.28 3i41 h ARG 33 Cb 0.20 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 3i41 h ARG 33 CO -0.20 0.57 0.52 0.00 -1.07 0.00 0.00 179.97 179.79 3i41 h ALA 34 N 1.42 1.23 -0.18 0.04 0.00 -0.69 0.18 119.26 121.26 3i41 h ALA 34 Ca 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3i41 h ALA 34 Cb 0.84 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i41 h ALA 34 CO 0.06 0.19 -0.14 -0.44 0.00 0.00 0.00 179.25 178.93 3i41 h ASP 35 N 0.89 0.43 -0.39 0.00 3.32 -1.12 -2.63 116.42 116.92 3i41 h ASP 35 Ca 0.40 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 57.02 3i41 h ASP 35 Cb 0.31 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3i41 h ASP 35 CO -0.22 0.79 0.23 -0.07 -1.72 0.00 0.00 179.24 178.25 3i41 h LEU 36 N 0.08 0.36 -0.46 1.55 3.38 -0.85 -1.51 115.31 117.86 3i41 h LEU 36 Ca 0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i41 h LEU 36 Cb 0.65 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3i41 h LEU 36 CO 0.04 0.26 0.29 0.40 0.09 0.00 0.00 178.44 179.52 3i41 h ILE 37 N 0.46 1.09 -0.34 1.22 2.04 -0.72 -1.55 117.51 119.71 3i41 h ILE 37 Ca 0.16 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.91 3i41 h ILE 37 Cb 0.02 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3i41 h ILE 37 CO -0.08 0.11 0.25 1.23 0.00 0.00 0.00 178.15 179.66 3i41 h GLY 38 N 0.59 0.00 -1.28 5.37 0.00 -1.04 -1.62 103.07 105.08 3i41 h GLY 38 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3i41 h GLY 38 CO -0.06 0.00 -0.00 -1.06 0.00 0.00 0.00 176.54 175.42 3i41 n GLN 39 N -4.40 2.03 -1.56 4.80 6.02 -0.61 -4.88 117.38 118.78 3i41 n GLN 39 Ca 0.05 -1.50 -0.30 0.00 -0.01 0.00 0.00 57.00 55.24 3i41 n GLN 39 Cb 0.43 -1.47 0.08 0.00 1.02 0.00 0.00 30.24 30.30 3i41 n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i41 s SER 40 N -2.00 4.62 0.00 1.08 1.04 -0.61 -4.99 113.70 112.84 3i41 s SER 40 Ca 0.32 1.35 -0.22 0.00 0.48 0.00 0.00 55.95 57.88 3i41 s SER 40 Cb 0.20 -2.11 -0.18 0.00 0.10 0.00 0.00 66.02 64.03 3i41 s SER 40 CO 0.32 -1.89 1.22 0.28 0.98 0.00 0.00 173.24 174.15 3i41 h SER 41 N -1.03 0.31 0.13 7.02 0.02 -1.91 -3.36 113.55 114.72 3i41 h SER 41 Ca -0.46 -0.59 -0.02 0.00 -0.84 0.00 0.00 61.79 59.88 3i41 h SER 41 Cb 1.26 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 3i41 h SER 41 CO 0.59 0.84 -0.07 0.10 -1.14 0.00 0.00 176.83 177.15 3i41 h TYR 42 N -0.21 0.00 0.00 3.45 -0.00 -1.94 -1.01 116.97 117.26 3i41 h TYR 42 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 3i41 h TYR 42 Cb 0.81 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.53 3i41 h TYR 42 CO 0.12 0.07 -0.03 0.97 -0.00 0.00 0.00 178.16 179.29 3i41 h ILE 43 N 0.00 0.07 -3.94 -0.90 6.09 -1.85 -3.46 117.51 113.52 3i41 h ILE 43 Ca -0.00 -0.74 -0.46 0.00 -1.37 0.00 0.00 64.86 62.29 3i41 h ILE 43 Cb 0.16 1.69 -0.02 0.00 0.47 0.00 0.00 36.82 39.12 3i41 h ILE 43 CO 0.01 0.03 0.26 -0.54 -3.07 0.00 0.00 178.15 174.84 3i41 s LYS 44 N -3.52 4.17 -1.20 2.19 1.02 -0.38 -4.35 119.74 117.66 3i41 s LYS 44 Ca 0.03 0.98 0.00 0.00 0.02 0.00 0.00 55.97 57.00 3i41 s LYS 44 Cb 0.08 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 3i41 s LYS 44 CO 0.59 0.05 0.00 0.09 -0.92 0.00 0.00 175.35 175.16 3i41 n ASN 45 N -0.49 -4.23 -5.00 2.83 5.03 -1.26 -5.03 115.26 107.12 3i41 n ASN 45 Ca 0.06 0.14 -0.18 0.00 0.87 0.00 0.00 54.58 55.46 3i41 n ASN 45 Cb 0.54 -3.16 0.01 0.00 -1.02 0.00 0.00 39.78 36.15 3i41 n ASN 45 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3i41 s ASN 46 N -2.63 5.53 -0.14 6.41 0.01 -1.26 -4.98 114.94 117.88 3i41 s ASN 46 Ca 0.00 -0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 51.63 3i41 s ASN 46 Cb 0.00 -0.53 -0.24 0.00 0.41 0.00 0.00 41.25 40.89 3i41 s ASN 46 CO 0.00 -0.82 0.28 0.47 -1.51 0.00 0.00 177.10 175.52 3i41 n ASP 47 N -1.87 1.81 -3.78 -1.22 8.00 0.13 -4.81 116.55 114.80 3i41 n ASP 47 Ca 0.08 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 3i41 n ASP 47 Cb 0.60 -0.57 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 3i41 n ASP 47 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i41 s VAL 48 N -2.55 -0.00 -0.06 2.53 1.01 -1.13 -1.53 120.40 118.67 3i41 s VAL 48 Ca -0.22 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3i41 s VAL 48 Cb 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3i41 s VAL 48 CO 0.75 0.00 -0.16 -0.69 0.00 0.00 0.00 175.10 175.00 3i41 s VAL 49 N 0.20 1.40 -0.19 2.92 1.01 0.09 -2.13 120.40 123.69 3i41 s VAL 49 Ca -0.01 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 3i41 s VAL 49 Cb -0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3i41 s VAL 49 CO -0.00 0.41 0.09 -0.63 0.00 0.00 0.00 175.10 174.96 3i41 s ILE 50 N 0.29 4.99 -0.01 2.22 1.01 0.52 -1.18 121.20 129.04 3i41 s ILE 50 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3i41 s ILE 50 Cb -0.14 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 3i41 s ILE 50 CO 0.04 0.44 -0.02 -0.36 0.00 0.00 0.00 174.94 175.04 3i41 s PHE 51 N 0.46 3.02 0.21 3.97 0.08 0.70 -0.79 117.98 125.63 3i41 s PHE 51 Ca 0.05 0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.21 3i41 s PHE 51 Cb -0.12 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 3i41 s PHE 51 CO 0.00 0.43 -0.10 -0.80 -0.10 0.00 0.00 175.22 174.65 3i41 s ASN 52 N -1.44 2.32 -1.43 1.36 0.01 -0.04 -1.95 114.94 113.77 3i41 s ASN 52 Ca 0.18 -1.07 -0.07 0.00 -0.71 0.00 0.00 52.86 51.18 3i41 s ASN 52 Cb -0.11 -0.09 0.04 0.00 0.41 0.00 0.00 41.25 41.49 3i41 s ASN 52 CO 0.09 -0.28 0.61 -0.62 -1.51 0.00 0.00 177.10 175.38 3i41 n GLU 53 N -0.38 -4.42 -1.97 -0.60 1.02 -0.65 -0.82 120.64 112.83 3i41 n GLU 53 Ca -0.08 0.70 -0.40 0.00 -0.02 0.00 0.00 57.16 57.36 3i41 n GLU 53 Cb 0.61 -5.50 -0.01 0.00 -0.02 0.00 0.00 31.44 26.52 3i41 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i41 n ALA 54 N -3.68 6.63 -0.07 0.62 0.00 0.71 0.09 120.51 124.81 3i41 n ALA 54 Ca -0.06 -4.06 -0.20 0.00 0.00 0.00 0.00 53.44 49.13 3i41 n ALA 54 Cb 0.58 -2.89 -0.12 0.00 0.00 0.00 0.00 19.45 17.01 3i41 n ALA 54 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3i41 h PHE 55 N 4.87 0.11 -2.68 0.00 0.04 -1.68 -3.40 116.94 114.20 3i41 h PHE 55 Ca 0.67 -0.08 -0.53 0.00 2.80 0.00 0.00 57.97 60.83 3i41 h PHE 55 Cb 0.36 -0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.55 3i41 h PHE 55 CO 1.57 1.39 1.00 0.34 -0.60 0.00 0.00 178.31 182.01 3i41 s ASP 56 N -6.74 6.51 0.13 2.17 2.15 0.05 -4.78 116.67 116.17 3i41 s ASP 56 Ca -0.24 2.66 -0.16 0.00 0.43 0.00 0.00 52.55 55.25 3i41 s ASP 56 Cb 0.03 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 3i41 s ASP 56 CO 0.66 -0.92 1.64 0.78 -0.17 0.00 0.00 175.17 177.16 3i41 h ASN 57 N 7.70 0.59 -0.06 -0.34 2.35 -1.92 -0.50 115.58 123.40 3i41 h ASN 57 Ca -0.44 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.07 3i41 h ASN 57 Cb 1.21 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 3i41 h ASN 57 CO 0.94 0.66 -0.04 1.23 -1.65 0.00 0.00 177.43 178.56 3i41 h GLY 58 N 0.50 0.15 1.24 2.83 0.00 -1.99 -0.70 103.07 105.10 3i41 h GLY 58 Ca 0.13 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 3i41 h GLY 58 CO -0.00 0.13 -0.18 0.00 0.00 0.00 0.00 176.54 176.49 3i41 h ALA 59 N 0.59 0.83 -0.56 3.60 0.00 -1.92 -1.04 119.26 120.76 3i41 h ALA 59 Ca 0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3i41 h ALA 59 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3i41 h ALA 59 CO 0.01 0.65 -0.06 0.66 0.00 0.00 0.00 179.25 180.50 3i41 h SER 60 N 0.77 1.02 -0.78 0.00 4.64 -1.07 -0.30 113.55 117.83 3i41 h SER 60 Ca 0.11 -0.33 0.02 0.00 -0.47 0.00 0.00 61.79 61.12 3i41 h SER 60 Cb 0.71 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.48 3i41 h SER 60 CO 0.05 1.11 0.51 0.44 -0.87 0.00 0.00 176.83 178.08 3i41 h ASP 61 N 0.91 0.86 -0.33 4.97 3.32 -0.93 -0.91 116.42 124.31 3i41 h ASP 61 Ca 0.15 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3i41 h ASP 61 Cb 0.63 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3i41 h ASP 61 CO 0.04 0.61 0.21 0.50 -1.72 0.00 0.00 179.24 178.88 3i41 h LYS 62 N 1.02 0.45 0.03 3.56 1.63 -0.84 0.74 116.57 123.15 3i41 h LYS 62 Ca 0.30 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 60.09 3i41 h LYS 62 Cb -0.05 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 3i41 h LYS 62 CO -0.09 0.33 -0.23 1.25 -3.45 0.00 0.00 179.45 177.25 3i41 h LEU 63 N 0.44 -0.69 -0.44 5.20 5.85 -0.69 0.13 115.31 125.12 3i41 h LEU 63 Ca 0.12 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3i41 h LEU 63 Cb -0.01 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3i41 h LEU 63 CO -0.02 -0.31 0.25 -0.07 -0.34 0.00 0.00 178.44 177.95 3i41 h LEU 64 N -0.38 0.54 -1.05 2.25 3.38 -1.03 -0.93 115.31 118.08 3i41 h LEU 64 Ca 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i41 h LEU 64 Cb 0.45 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3i41 h LEU 64 CO -0.19 0.45 0.59 0.77 0.09 0.00 0.00 178.44 180.15 3i41 h SER 65 N 0.57 1.08 -0.48 -0.43 4.64 -0.75 -2.09 113.55 116.11 3i41 h SER 65 Ca 0.16 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3i41 h SER 65 Cb 0.03 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 3i41 h SER 65 CO -0.03 0.80 0.01 0.78 -0.87 0.00 0.00 176.83 177.52 3i41 h ASN 66 N 1.26 0.87 0.02 4.97 2.35 0.36 -2.52 115.58 122.89 3i41 h ASN 66 Ca 0.34 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3i41 h ASN 66 Cb -0.11 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.03 3i41 h ASN 66 CO -0.07 0.92 -0.04 1.33 -1.65 0.00 0.00 177.43 177.92 3i41 n VAL 67 N -4.20 0.00 0.27 2.81 0.24 -0.46 -4.02 118.33 112.97 3i41 n VAL 67 Ca 0.03 -0.24 0.15 0.00 -2.04 0.00 0.00 64.34 62.24 3i41 n VAL 67 Cb 0.31 0.54 0.76 0.00 -1.47 0.00 0.00 33.84 33.98 3i41 n VAL 67 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3i41 h LYS 68 N 2.30 0.00 0.00 7.34 3.64 -0.91 0.63 116.57 129.57 3i41 h LYS 68 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i41 h LYS 68 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3i41 h LYS 68 CO 0.00 0.08 0.00 0.87 -2.27 0.00 0.00 179.45 178.13 3i41 h LYS 69 N 0.00 0.00 0.00 1.90 1.57 -1.74 -3.11 116.57 115.18 3i41 h LYS 69 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3i41 h LYS 69 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3i41 h LYS 69 CO 0.01 0.00 -1.40 -1.91 -0.57 0.00 0.00 179.45 175.58 3i41 n GLU 70 N -2.71 2.83 -3.74 3.15 2.13 -0.60 -4.90 120.64 116.80 3i41 n GLU 70 Ca 0.01 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.55 3i41 n GLU 70 Cb 0.23 -1.15 -0.12 0.00 0.27 0.00 0.00 31.44 30.68 3i41 n GLU 70 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3i41 s TYR 71 N -2.14 2.75 0.27 4.31 2.02 0.11 -4.54 117.35 120.14 3i41 s TYR 71 Ca -0.03 -2.99 0.32 0.00 -0.37 0.00 0.00 57.07 53.99 3i41 s TYR 71 Cb 0.02 -2.14 1.46 0.00 -0.40 0.00 0.00 41.96 40.90 3i41 s TYR 71 CO 0.24 -0.65 2.03 -1.00 -1.57 0.00 0.00 175.55 174.60 3i41 h PRO 72 N 5.57 0.00 -5.25 -1.71 0.13 -1.46 -3.39 132.00 125.88 3i41 h PRO 72 Ca 0.17 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.68 3i41 h PRO 72 Cb 0.81 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.81 3i41 h PRO 72 CO 0.60 0.07 -0.29 0.71 -0.23 0.00 0.00 178.00 178.87 3i41 s TYR 73 N -3.86 3.32 -0.01 1.56 2.02 -0.71 -4.98 117.35 114.70 3i41 s TYR 73 Ca -0.01 0.45 -0.03 0.00 -0.37 0.00 0.00 57.07 57.11 3i41 s TYR 73 Cb 0.11 -2.48 -0.00 0.00 -0.40 0.00 0.00 41.96 39.19 3i41 s TYR 73 CO 0.55 -0.06 0.06 -0.65 -1.57 0.00 0.00 175.55 173.88 3i41 s GLN 74 N 1.49 0.27 0.57 -0.62 -0.21 -1.26 -0.26 119.66 119.63 3i41 s GLN 74 Ca 0.15 -0.25 -0.14 0.00 0.02 0.00 0.00 55.36 55.14 3i41 s GLN 74 Cb -0.15 0.11 -0.06 0.00 1.00 0.00 0.00 33.01 33.91 3i41 s GLN 74 CO 0.08 -0.05 1.01 0.95 -2.12 0.00 0.00 175.29 175.16 3i41 s THR 75 N -0.81 4.56 1.14 -0.19 -4.23 -0.42 -5.02 115.64 110.67 3i41 s THR 75 Ca -0.09 1.03 -0.13 0.00 -1.18 0.00 0.00 61.69 61.32 3i41 s THR 75 Cb -0.05 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 70.29 3i41 s THR 75 CO 0.00 -0.89 1.04 -2.84 -0.54 0.00 0.00 174.62 171.39 3i41 s PRO 76 N -4.60 -0.72 -0.08 3.99 0.02 -1.26 -4.69 135.00 127.66 3i41 s PRO 76 Ca 0.57 0.64 -0.30 0.00 0.02 0.00 0.00 61.00 61.93 3i41 s PRO 76 Cb -0.11 -1.59 -0.02 0.00 0.02 0.00 0.00 34.50 32.80 3i41 s PRO 76 CO 0.42 -3.54 1.05 0.08 -0.33 0.00 0.00 177.00 174.68 3i41 s VAL 77 N -2.63 4.67 -0.10 3.83 1.01 -1.26 -4.64 120.40 121.29 3i41 s VAL 77 Ca 0.68 1.94 -0.41 0.00 0.00 0.00 0.00 61.98 64.19 3i41 s VAL 77 Cb -0.22 -4.25 -0.19 0.00 0.00 0.00 0.00 36.38 31.72 3i41 s VAL 77 CO 0.62 0.02 1.24 -0.11 0.00 0.00 0.00 175.10 176.87 3i41 n LEU 78 N 4.93 0.56 -0.00 3.92 7.94 0.46 -2.43 117.00 132.38 3i41 n LEU 78 Ca 0.09 1.16 -0.00 0.00 -1.11 0.00 0.00 56.01 56.15 3i41 n LEU 78 Cb 0.48 -0.96 -0.00 0.00 0.53 0.00 0.00 43.42 43.47 3i41 n LEU 78 CO 0.53 -1.52 -0.00 0.61 -1.11 0.00 0.00 177.39 175.90 3i41 n GLY 79 N 2.24 0.48 0.13 -3.96 0.00 -1.26 -0.60 105.19 102.21 3i41 n GLY 79 Ca 0.22 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3i41 n GLY 79 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i41 h ARG 80 N 0.80 0.27 0.00 1.61 2.43 -1.87 -3.40 114.38 114.22 3i41 h ARG 80 Ca -0.00 -0.46 0.01 0.00 -0.81 0.00 0.00 59.98 58.71 3i41 h ARG 80 Cb 0.01 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3i41 h ARG 80 CO 0.00 1.22 0.05 -1.13 -1.51 0.00 0.00 179.97 178.60 3i41 n SER 81 N -3.78 -0.26 -0.00 -3.80 3.41 -1.26 -5.03 113.62 102.90 3i41 n SER 81 Ca -0.27 -1.16 0.10 0.00 -0.26 0.00 0.00 58.87 57.28 3i41 n SER 81 Cb 0.96 0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 65.24 3i41 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i41 n GLN 82 N -0.08 0.01 -2.64 4.33 6.02 -1.26 -4.97 117.38 118.79 3i41 n GLN 82 Ca -0.01 -0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.60 3i41 n GLN 82 Cb 0.07 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.78 3i41 n GLN 82 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3i41 s SER 83 N -3.02 7.14 0.00 1.08 0.01 -1.26 -3.90 113.70 113.75 3i41 s SER 83 Ca 0.08 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.33 3i41 s SER 83 Cb 0.16 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3i41 s SER 83 CO 0.86 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.91 3i41 n GLY 84 N 0.66 0.69 3.43 3.44 0.00 -1.26 -4.89 105.19 107.25 3i41 n GLY 84 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3i41 n GLY 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i41 s TRP 85 N -2.07 2.55 0.14 1.61 0.52 -1.25 -4.63 118.94 115.82 3i41 s TRP 85 Ca 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 56.10 55.72 3i41 s TRP 85 Cb 0.00 -1.52 0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3i41 s TRP 85 CO 0.00 0.18 1.65 -0.44 0.02 0.00 0.00 176.95 178.36 3i41 h ASP 86 N 4.97 0.72 -4.37 2.95 3.32 -1.49 -3.46 116.42 119.05 3i41 h ASP 86 Ca -0.46 -0.23 -0.18 0.00 0.02 0.00 0.00 57.03 56.18 3i41 h ASP 86 Cb 1.15 -0.19 -0.24 0.00 0.22 0.00 0.00 39.33 40.27 3i41 h ASP 86 CO 0.48 0.76 -0.56 -0.54 -1.72 0.00 0.00 179.24 177.66 3i41 s LYS 87 N -5.30 0.29 -0.13 3.56 -0.14 -1.22 -5.06 119.74 111.74 3i41 s LYS 87 Ca -0.13 -0.14 0.01 0.00 -1.36 0.00 0.00 55.97 54.34 3i41 s LYS 87 Cb 0.11 0.12 -0.01 0.00 -1.68 0.00 0.00 37.83 36.37 3i41 s LYS 87 CO 0.79 -0.06 -0.15 0.99 -0.76 0.00 0.00 175.35 176.16 3i41 s THR 88 N -0.66 2.86 0.28 2.17 2.01 -1.26 -1.94 115.64 119.10 3i41 s THR 88 Ca -0.07 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.23 3i41 s THR 88 Cb -0.05 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 3i41 s THR 88 CO 0.01 0.53 0.19 -1.83 -0.69 0.00 0.00 174.62 172.83 3i41 s GLU 89 N 0.39 1.52 1.98 4.92 -1.05 -0.10 -5.00 118.70 121.37 3i41 s GLU 89 Ca -0.12 -1.86 0.00 0.00 -0.15 0.00 0.00 54.97 52.85 3i41 s GLU 89 Cb -0.16 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 3i41 s GLU 89 CO 0.06 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.17 3i41 n GLY 90 N -0.49 -0.93 2.10 -3.83 0.00 -1.26 -1.16 105.19 99.62 3i41 n GLY 90 Ca 0.04 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 3i41 n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i41 n SER 91 N -1.19 5.39 -4.66 1.61 7.64 -0.25 -4.68 113.62 117.48 3i41 n SER 91 Ca 0.00 -2.42 -0.43 0.00 1.01 0.00 0.00 58.87 57.03 3i41 n SER 91 Cb 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.84 3i41 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i41 n TYR 92 N 2.76 2.43 -4.53 1.43 9.36 -1.26 -4.85 117.16 122.50 3i41 n TYR 92 Ca 0.45 -0.29 -0.34 0.00 3.32 0.00 0.00 57.90 61.05 3i41 n TYR 92 Cb 0.72 -2.77 -0.12 0.00 -0.63 0.00 0.00 39.34 36.54 3i41 n TYR 92 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3i41 s SER 93 N 4.74 4.67 0.00 2.98 0.15 -1.26 -4.99 113.70 119.98 3i41 s SER 93 Ca 0.91 -0.10 0.30 0.00 0.70 0.00 0.00 55.95 57.76 3i41 s SER 93 Cb -0.48 -1.52 1.46 0.00 -1.71 0.00 0.00 66.02 63.77 3i41 s SER 93 CO 0.43 0.25 2.01 -1.20 1.20 0.00 0.00 173.24 175.93 3i41 n SER 94 N 2.98 0.15 -0.03 5.45 7.64 -1.26 -4.22 113.62 124.33 3i41 n SER 94 Ca -0.18 -0.35 0.01 0.00 1.01 0.00 0.00 58.87 59.36 3i41 n SER 94 Cb 0.53 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 3i41 n SER 94 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i41 n THR 95 N -1.16 0.00 -1.50 0.44 -2.24 -1.26 -5.06 114.28 103.50 3i41 n THR 95 Ca 0.15 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 3i41 n THR 95 Cb 0.24 1.02 0.08 0.00 -2.10 0.00 0.00 70.33 69.56 3i41 n THR 95 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i41 s VAL 96 N -1.00 2.85 0.32 2.28 -7.23 -1.26 -4.95 120.40 111.41 3i41 s VAL 96 Ca 0.02 0.38 0.04 0.00 -1.81 0.00 0.00 61.98 60.60 3i41 s VAL 96 Cb 0.02 -2.86 0.13 0.00 0.56 0.00 0.00 36.38 34.23 3i41 s VAL 96 CO 0.09 -0.26 1.83 0.00 -0.31 0.00 0.00 175.10 176.45 3i41 h ALA 97 N -0.38 1.30 -3.48 1.32 0.00 -1.92 -3.46 119.26 112.64 3i41 h ALA 97 Ca -0.46 -0.24 -0.42 0.00 0.00 0.00 0.00 54.91 53.79 3i41 h ALA 97 Cb 1.26 -0.14 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 3i41 h ALA 97 CO 0.51 0.47 -0.78 -2.00 0.00 0.00 0.00 179.25 177.45 3i41 s GLU 98 N -4.83 0.84 0.38 0.00 2.56 -1.02 -5.04 118.70 111.59 3i41 s GLU 98 Ca -0.07 -0.91 -0.06 0.00 0.00 0.00 0.00 54.97 53.92 3i41 s GLU 98 Cb 0.15 -0.85 0.09 0.00 2.00 0.00 0.00 34.13 35.52 3i41 s GLU 98 CO 0.77 0.19 0.45 -0.40 -0.56 0.00 0.00 175.26 175.72 3i41 n ASP 99 N 1.42 -0.43 -0.04 -1.70 5.68 -1.26 -1.82 116.55 118.40 3i41 n ASP 99 Ca -0.21 -1.03 0.13 0.00 -0.50 0.00 0.00 54.79 53.18 3i41 n ASP 99 Cb 0.54 -0.37 0.47 0.00 -1.14 0.00 0.00 41.12 40.63 3i41 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i41 n GLY 100 N 1.22 -1.22 2.94 6.12 0.00 0.23 -3.56 105.19 110.91 3i41 n GLY 100 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i41 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i41 n GLY 101 N 1.43 0.22 3.81 -0.02 0.00 -1.23 -4.64 105.19 104.78 3i41 n GLY 101 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3i41 n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i41 s VAL 102 N -1.54 5.41 0.03 1.61 1.01 -1.26 -0.21 120.40 125.45 3i41 s VAL 102 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 3i41 s VAL 102 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3i41 s VAL 102 CO 0.00 0.54 0.23 0.00 0.00 0.00 0.00 175.10 175.86 3i41 s ALA 103 N -0.46 -0.47 -0.05 5.51 0.00 -0.82 -0.40 121.76 125.06 3i41 s ALA 103 Ca 0.14 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.00 3i41 s ALA 103 Cb -0.12 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3i41 s ALA 103 CO 0.03 -0.36 -0.22 0.42 0.00 0.00 0.00 175.76 175.64 3i41 s ILE 104 N -2.40 1.81 0.12 0.00 1.01 -1.26 -0.21 121.20 120.27 3i41 s ILE 104 Ca -0.06 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.75 3i41 s ILE 104 Cb -0.02 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3i41 s ILE 104 CO -0.03 0.51 -0.22 0.68 0.00 0.00 0.00 174.94 175.88 3i41 s VAL 105 N -0.05 1.86 -0.08 2.92 -7.23 -0.32 -1.30 120.40 116.20 3i41 s VAL 105 Ca -0.05 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 3i41 s VAL 105 Cb -0.13 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 35.13 3i41 s VAL 105 CO 0.03 -0.07 0.36 -0.55 -0.31 0.00 0.00 175.10 174.56 3i41 s SER 106 N -2.09 -0.31 0.00 4.85 0.15 0.64 -0.73 113.70 116.21 3i41 s SER 106 Ca 0.10 0.43 0.26 0.00 0.70 0.00 0.00 55.95 57.44 3i41 s SER 106 Cb -0.09 0.54 0.64 0.00 -1.71 0.00 0.00 66.02 65.39 3i41 s SER 106 CO 0.05 -0.31 1.50 2.29 1.20 0.00 0.00 173.24 177.97 3i41 n LYS 107 N 2.00 0.39 -4.13 5.44 2.85 -0.58 -1.74 118.16 122.39 3i41 n LYS 107 Ca -0.17 -0.23 -0.29 0.00 -1.05 0.00 0.00 58.31 56.57 3i41 n LYS 107 Cb 0.57 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.37 3i41 n LYS 107 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3i41 s TYR 108 N -2.76 2.99 0.20 5.58 2.02 -1.26 -4.88 117.35 119.23 3i41 s TYR 108 Ca 0.17 -0.04 -0.33 0.00 -0.37 0.00 0.00 57.07 56.51 3i41 s TYR 108 Cb 0.18 -1.52 -0.14 0.00 -0.40 0.00 0.00 41.96 40.09 3i41 s TYR 108 CO 0.61 0.49 1.42 -2.30 -1.57 0.00 0.00 175.55 174.21 3i41 n PRO 109 N 0.40 1.90 -3.28 -1.71 -0.02 -1.26 -4.79 135.00 126.24 3i41 n PRO 109 Ca -0.10 0.68 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 3i41 n PRO 109 Cb 0.53 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 3i41 n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i41 s ILE 110 N 0.24 5.10 -0.15 4.25 1.01 -1.26 -1.21 121.20 129.19 3i41 s ILE 110 Ca 0.73 0.76 0.20 0.00 0.00 0.00 0.00 60.65 62.34 3i41 s ILE 110 Cb -0.70 -3.80 -0.14 0.00 0.01 0.00 0.00 42.46 37.83 3i41 s ILE 110 CO 0.46 0.09 0.76 0.29 0.00 0.00 0.00 174.94 176.54 3i41 n LYS 111 N 5.49 0.63 -3.70 2.79 4.76 0.57 -4.92 118.16 123.78 3i41 n LYS 111 Ca -0.05 0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.34 3i41 n LYS 111 Cb 0.50 -1.73 -0.09 0.00 -1.84 0.00 0.00 35.03 31.87 3i41 n LYS 111 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3i41 s GLU 112 N -3.15 0.57 -0.05 1.97 2.12 -1.18 -4.96 118.70 114.02 3i41 s GLU 112 Ca -0.04 0.73 -0.01 0.00 0.36 0.00 0.00 54.97 56.02 3i41 s GLU 112 Cb 0.10 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.76 3i41 s GLU 112 CO 0.83 -0.08 0.01 -1.59 -0.54 0.00 0.00 175.26 173.88 3i41 s LYS 113 N 0.45 0.36 -0.04 4.30 -2.85 -1.26 -1.57 119.74 119.14 3i41 s LYS 113 Ca -0.02 0.14 0.03 0.00 -1.00 0.00 0.00 55.97 55.12 3i41 s LYS 113 Cb -0.04 -0.69 0.01 0.00 -2.06 0.00 0.00 37.83 35.05 3i41 s LYS 113 CO -0.02 -0.23 -0.11 0.42 0.10 0.00 0.00 175.35 175.51 3i41 s ILE 114 N 1.60 0.94 -0.01 3.79 1.01 0.17 -1.14 121.20 127.55 3i41 s ILE 114 Ca -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3i41 s ILE 114 Cb -0.13 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3i41 s ILE 114 CO -0.03 0.29 0.01 0.00 0.00 0.00 0.00 174.94 175.21 3i41 s GLN 115 N 0.31 2.82 -0.07 2.79 -2.07 -0.82 -0.19 119.66 122.43 3i41 s GLN 115 Ca -0.06 -0.59 -0.01 0.00 -1.82 0.00 0.00 55.36 52.88 3i41 s GLN 115 Cb -0.11 -2.69 0.03 0.00 -1.09 0.00 0.00 33.01 29.15 3i41 s GLN 115 CO 0.01 0.63 0.01 -1.58 -1.32 0.00 0.00 175.29 173.04 3i41 s HIS 116 N -1.07 0.62 -0.14 9.60 2.46 -0.49 -0.92 115.29 125.33 3i41 s HIS 116 Ca 0.19 -0.14 -0.15 0.00 0.47 0.00 0.00 55.06 55.43 3i41 s HIS 116 Cb -0.12 -0.78 -0.05 0.00 -0.13 0.00 0.00 32.58 31.51 3i41 s HIS 116 CO 0.10 -0.32 0.34 0.08 -2.47 0.00 0.00 174.74 172.47 3i41 s VAL 117 N 1.99 5.27 0.56 0.89 1.01 -0.31 -0.47 120.40 129.34 3i41 s VAL 117 Ca 0.05 0.66 -0.21 0.00 0.00 0.00 0.00 61.98 62.48 3i41 s VAL 117 Cb -0.12 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3i41 s VAL 117 CO -0.05 0.38 1.29 -0.36 0.00 0.00 0.00 175.10 176.36 3i41 s PHE 118 N 0.45 2.34 0.08 5.22 0.08 -0.09 -1.09 117.98 124.97 3i41 s PHE 118 Ca 0.19 1.44 -0.17 0.00 0.12 0.00 0.00 56.93 58.51 3i41 s PHE 118 Cb -0.14 -3.66 -0.09 0.00 -0.57 0.00 0.00 43.02 38.56 3i41 s PHE 118 CO 0.06 -2.60 1.44 0.87 -0.10 0.00 0.00 175.22 174.89 3i41 h LYS 119 N 1.24 0.55 -6.18 0.44 6.56 -1.93 -3.39 116.57 113.86 3i41 h LYS 119 Ca -0.51 -0.25 -0.56 0.00 -1.06 0.00 0.00 60.65 58.28 3i41 h LYS 119 Cb 1.30 -0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 32.86 3i41 h LYS 119 CO 0.56 0.81 -0.63 -1.12 -2.06 0.00 0.00 179.45 177.02 3i41 s SER 120 N -6.25 4.58 -0.18 0.86 0.01 -1.26 -4.96 113.70 106.50 3i41 s SER 120 Ca -0.13 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.17 3i41 s SER 120 Cb 0.08 -0.84 0.13 0.00 0.21 0.00 0.00 66.02 65.60 3i41 s SER 120 CO 0.78 -0.04 1.02 -0.83 0.41 0.00 0.00 173.24 174.58 3i41 s GLY 121 N -3.70 -0.23 0.14 3.44 0.00 -1.26 -4.97 107.32 100.73 3i41 s GLY 121 Ca 0.32 2.13 0.05 0.00 0.00 0.00 0.00 44.72 47.22 3i41 s GLY 121 CO 0.20 1.09 -0.11 0.00 0.00 0.00 0.00 173.10 174.29 3i41 n GLY 123 N -0.04 1.81 0.46 0.00 0.00 -1.24 -2.41 105.19 103.76 3i41 n GLY 123 Ca -0.11 -0.51 0.28 0.00 0.00 0.00 0.00 46.02 45.67 3i41 n GLY 123 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i41 h PHE 124 N 0.00 0.30 0.00 1.61 0.05 -1.98 -1.86 116.94 115.06 3i41 h PHE 124 Ca 0.00 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.75 3i41 h PHE 124 Cb 0.00 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 37.86 3i41 h PHE 124 CO 0.00 0.03 -0.24 -0.44 -0.18 0.00 0.00 178.31 177.48 3i41 h ASP 125 N 0.18 0.00 -0.48 2.17 5.19 -1.85 -2.96 116.42 118.67 3i41 h ASP 125 Ca 0.55 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 57.09 3i41 h ASP 125 Cb 1.79 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.28 3i41 h ASP 125 CO -0.13 0.24 0.37 -1.13 -3.12 0.00 0.00 179.24 175.46 3i41 h ASN 126 N 0.00 0.00 -1.45 6.45 -1.24 -1.39 -2.89 115.58 115.07 3i41 h ASN 126 Ca -0.00 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 56.35 3i41 h ASN 126 Cb 0.51 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 39.31 3i41 h ASN 126 CO 0.03 0.00 0.85 -0.67 -1.29 0.00 0.00 177.43 176.35 3i41 n ASP 127 N -4.27 7.31 -3.74 1.15 2.03 -1.12 -4.91 116.55 113.01 3i41 n ASP 127 Ca 0.09 -3.65 -0.10 0.00 0.52 0.00 0.00 54.79 51.65 3i41 n ASP 127 Cb 0.57 -1.07 -0.04 0.00 -0.72 0.00 0.00 41.12 39.86 3i41 n ASP 127 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3i41 s SER 128 N -0.92 -0.21 -0.63 1.67 1.04 -1.09 -2.44 113.70 111.12 3i41 s SER 128 Ca 0.55 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 3i41 s SER 128 Cb 0.43 0.53 0.47 0.00 0.10 0.00 0.00 66.02 67.55 3i41 s SER 128 CO -0.24 -0.97 2.00 0.59 0.98 0.00 0.00 173.24 175.60 3i41 n ASN 129 N -0.29 7.20 -4.61 7.02 5.03 -0.75 -4.95 115.26 123.90 3i41 n ASN 129 Ca -0.11 -3.77 -0.39 0.00 0.87 0.00 0.00 54.58 51.18 3i41 n ASN 129 Cb 0.63 -0.95 0.04 0.00 -1.02 0.00 0.00 39.78 38.48 3i41 n ASN 129 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i41 n LYS 130 N -0.94 1.05 -0.77 3.52 5.02 -1.26 -3.50 118.16 121.27 3i41 n LYS 130 Ca 0.62 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 3i41 n LYS 130 Cb 0.78 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3i41 n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i41 n GLY 131 N 1.25 -0.64 3.18 0.72 0.00 -1.26 -0.91 105.19 107.52 3i41 n GLY 131 Ca 0.12 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 3i41 n GLY 131 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i41 s PHE 132 N -3.78 1.01 -0.10 1.61 -0.71 0.38 -3.61 117.98 112.78 3i41 s PHE 132 Ca 0.00 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.17 3i41 s PHE 132 Cb 0.00 -0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 41.24 3i41 s PHE 132 CO 0.00 -0.04 -0.17 0.08 -1.34 0.00 0.00 175.22 173.75 3i41 s VAL 133 N -2.90 2.70 -0.10 -2.49 1.01 0.49 -1.40 120.40 117.70 3i41 s VAL 133 Ca 0.08 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3i41 s VAL 133 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3i41 s VAL 133 CO -0.01 0.55 -0.05 -0.47 0.00 0.00 0.00 175.10 175.11 3i41 s TYR 134 N 0.13 2.99 0.01 5.22 5.04 0.73 -0.77 117.35 130.70 3i41 s TYR 134 Ca -0.09 -0.10 0.04 0.00 -2.44 0.00 0.00 57.07 54.49 3i41 s TYR 134 Cb -0.15 -1.81 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 3i41 s TYR 134 CO 0.05 0.20 -0.12 0.95 -1.34 0.00 0.00 175.55 175.29 3i41 s THR 135 N -0.37 0.95 -0.23 4.34 -4.23 -0.19 -0.66 115.64 115.26 3i41 s THR 135 Ca 0.06 -0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 59.82 3i41 s THR 135 Cb -0.12 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.87 3i41 s THR 135 CO 0.02 0.14 0.01 -0.75 -0.54 0.00 0.00 174.62 173.50 3i41 s LYS 136 N -0.63 3.55 0.02 3.99 2.20 -0.61 -1.28 119.74 126.99 3i41 s LYS 136 Ca 0.03 -0.54 0.08 0.00 -0.36 0.00 0.00 55.97 55.18 3i41 s LYS 136 Cb -0.06 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 3i41 s LYS 136 CO 0.00 -0.13 -0.25 0.42 -0.36 0.00 0.00 175.35 175.03 3i41 s ILE 137 N 1.40 1.98 -0.22 5.43 1.01 0.45 0.21 121.20 131.46 3i41 s ILE 137 Ca 0.05 -1.23 -0.03 0.00 0.00 0.00 0.00 60.65 59.43 3i41 s ILE 137 Cb -0.15 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 3i41 s ILE 137 CO 0.01 0.40 -0.05 -0.70 0.00 0.00 0.00 174.94 174.60 3i41 s GLU 138 N -0.99 3.26 -0.01 2.79 2.12 -0.35 -0.29 118.70 125.23 3i41 s GLU 138 Ca 0.10 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 54.75 3i41 s GLU 138 Cb -0.10 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.31 3i41 s GLU 138 CO 0.01 -0.24 -0.06 0.21 -0.54 0.00 0.00 175.26 174.65 3i41 s LYS 139 N 1.45 0.57 -0.98 4.30 2.20 0.12 -4.01 119.74 123.39 3i41 s LYS 139 Ca 0.05 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 3i41 s LYS 139 Cb -0.15 -0.57 0.00 0.00 -1.51 0.00 0.00 37.83 35.61 3i41 s LYS 139 CO -0.04 0.08 0.00 0.09 -0.36 0.00 0.00 175.35 175.12 3i41 n ASN 140 N 3.22 -3.50 0.00 1.43 3.02 -1.26 -0.18 115.26 117.98 3i41 n ASN 140 Ca -0.16 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 3i41 n ASN 140 Cb 0.56 -3.04 0.00 0.00 -0.61 0.00 0.00 39.78 36.69 3i41 n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i41 n GLY 141 N -0.69 0.76 3.43 7.41 0.00 -1.26 -5.02 105.19 109.82 3i41 n GLY 141 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3i41 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i41 s LYS 142 N -0.10 1.60 -0.01 1.61 3.01 0.74 -5.13 119.74 121.46 3i41 s LYS 142 Ca 0.00 -1.25 -0.17 0.00 -1.01 0.00 0.00 55.97 53.54 3i41 s LYS 142 Cb 0.00 -2.00 -0.06 0.00 -1.01 0.00 0.00 37.83 34.77 3i41 s LYS 142 CO 0.00 0.47 0.47 -0.80 0.51 0.00 0.00 175.35 176.00 3i41 s ASN 143 N -2.00 6.85 0.10 2.83 0.01 -1.26 0.16 114.94 121.62 3i41 s ASN 143 Ca 0.15 1.01 0.04 0.00 -0.71 0.00 0.00 52.86 53.35 3i41 s ASN 143 Cb -0.10 -2.29 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 3i41 s ASN 143 CO 0.07 0.22 -0.12 0.54 -1.51 0.00 0.00 177.10 176.31 3i41 s VAL 144 N -0.62 1.06 -0.03 1.60 0.11 0.60 -4.58 120.40 118.54 3i41 s VAL 144 Ca 0.26 -1.58 0.06 0.00 -2.93 0.00 0.00 61.98 57.78 3i41 s VAL 144 Cb -0.17 -1.33 -0.01 0.00 -1.53 0.00 0.00 36.38 33.34 3i41 s VAL 144 CO 0.14 -0.46 -0.21 -1.00 -3.33 0.00 0.00 175.10 170.24 3i41 s HIS 145 N -2.12 1.96 -0.05 1.54 0.09 -0.64 -0.41 115.29 115.67 3i41 s HIS 145 Ca 0.05 -0.46 -0.01 0.00 -0.00 0.00 0.00 55.06 54.63 3i41 s HIS 145 Cb -0.05 -1.28 0.03 0.00 -0.00 0.00 0.00 32.58 31.28 3i41 s HIS 145 CO 0.01 -0.10 0.03 0.08 -0.00 0.00 0.00 174.74 174.77 3i41 s VAL 146 N -0.31 0.09 -0.14 -0.90 1.01 -0.41 -1.00 120.40 118.74 3i41 s VAL 146 Ca 0.03 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 3i41 s VAL 146 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3i41 s VAL 146 CO 0.01 0.20 -0.04 -0.63 0.00 0.00 0.00 175.10 174.64 3i41 s ILE 147 N 1.92 3.91 0.03 2.22 1.01 -0.06 -1.02 121.20 129.21 3i41 s ILE 147 Ca 0.03 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.39 3i41 s ILE 147 Cb -0.12 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 3i41 s ILE 147 CO -0.04 0.51 -0.19 -0.83 0.00 0.00 0.00 174.94 174.40 3i41 s GLY 148 N 0.20 1.55 0.24 6.18 0.00 0.05 -0.96 107.32 114.57 3i41 s GLY 148 Ca -0.02 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 3i41 s GLY 148 CO 0.03 -1.06 0.43 -1.08 0.00 0.00 0.00 173.10 171.42 3i41 s THR 149 N -0.89 0.00 -0.22 0.90 -1.32 -0.22 -0.38 115.64 113.51 3i41 s THR 149 Ca 0.14 -1.46 -0.05 0.00 -1.21 0.00 0.00 61.69 59.11 3i41 s THR 149 Cb -0.10 -2.21 0.11 0.00 -1.51 0.00 0.00 72.50 68.79 3i41 s THR 149 CO 0.04 -0.02 0.39 -2.28 -2.21 0.00 0.00 174.62 170.55 3i41 s HIS 150 N -4.03 -0.81 0.57 9.09 2.46 -1.24 -2.70 115.29 118.64 3i41 s HIS 150 Ca 0.24 1.14 0.07 0.00 0.47 0.00 0.00 55.06 56.98 3i41 s HIS 150 Cb 0.00 0.14 0.08 0.00 -0.13 0.00 0.00 32.58 32.67 3i41 s HIS 150 CO 0.09 -0.60 0.78 0.95 -2.47 0.00 0.00 174.74 173.49 3i41 s THR 151 N 2.57 2.36 -0.14 0.89 -4.23 -0.68 -4.23 115.64 112.18 3i41 s THR 151 Ca 0.06 -0.90 -0.41 0.00 -1.18 0.00 0.00 61.69 59.26 3i41 s THR 151 Cb -0.14 -2.46 -0.19 0.00 1.34 0.00 0.00 72.50 71.06 3i41 s THR 151 CO -0.14 0.00 1.34 1.67 -0.54 0.00 0.00 174.62 176.95 3i41 n GLN 152 N -2.28 0.39 -2.90 3.99 -0.06 -1.26 -4.82 117.38 110.43 3i41 n GLN 152 Ca 0.13 0.14 -0.33 0.00 -2.00 0.00 0.00 57.00 54.94 3i41 n GLN 152 Cb 0.61 -1.69 -0.07 0.00 -4.06 0.00 0.00 30.24 25.03 3i41 n GLN 152 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3i41 s SER 153 N 1.27 6.93 -0.04 1.69 1.04 -1.26 -4.82 113.70 118.52 3i41 s SER 153 Ca 0.94 1.60 -0.29 0.00 0.48 0.00 0.00 55.95 58.67 3i41 s SER 153 Cb -1.23 -2.50 -0.07 0.00 0.10 0.00 0.00 66.02 62.31 3i41 s SER 153 CO 0.62 -0.29 1.99 -1.61 0.98 0.00 0.00 173.24 174.93 3i41 s GLU 154 N -3.02 3.89 -0.08 4.02 2.02 -1.26 -4.88 118.70 119.40 3i41 s GLU 154 Ca 0.59 2.40 -0.03 0.00 0.02 0.00 0.00 54.97 57.95 3i41 s GLU 154 Cb -0.10 -4.19 0.04 0.00 0.10 0.00 0.00 34.13 29.98 3i41 s GLU 154 CO 0.15 -1.23 0.16 0.34 0.02 0.00 0.00 175.26 174.70 3i41 s ASP 155 N 5.25 0.22 0.52 -0.19 -1.08 -1.26 -5.04 116.67 115.09 3i41 s ASP 155 Ca 0.89 0.34 0.22 0.00 -0.52 0.00 0.00 52.55 53.49 3i41 s ASP 155 Cb -0.39 0.26 1.38 0.00 -1.46 0.00 0.00 42.92 42.72 3i41 s ASP 155 CO 0.39 -0.19 2.11 0.77 0.52 0.00 0.00 175.17 178.77 3i41 h SER 156 N 7.71 0.00 -0.28 -0.34 4.64 -1.99 0.15 113.55 123.44 3i41 h SER 156 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3i41 h SER 156 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3i41 h SER 156 CO 0.30 0.09 0.00 0.54 -0.87 0.00 0.00 176.83 176.89 3i41 n ARG 157 N -4.06 1.69 -3.65 4.77 5.12 -1.26 -4.76 116.66 114.50 3i41 n ARG 157 Ca -0.03 -1.06 -0.34 0.00 -1.93 0.00 0.00 57.85 54.49 3i41 n ARG 157 Cb 0.17 -1.25 -0.05 0.00 -1.16 0.00 0.00 32.46 30.17 3i41 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i41 s GLY 159 N -1.85 2.18 0.00 0.00 0.00 -1.26 -4.92 107.32 101.47 3i41 s GLY 159 Ca 0.32 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.65 3i41 s GLY 159 CO 0.18 0.98 0.00 0.00 0.00 0.00 0.00 173.10 174.26 3i41 n ALA 160 N -2.53 0.00 -0.48 3.20 0.00 -1.26 -0.76 120.51 118.67 3i41 n ALA 160 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 3i41 n ALA 160 Cb 0.52 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.12 3i41 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i41 n GLY 161 N 0.00 3.47 0.20 0.00 0.00 -1.26 -4.53 105.19 103.06 3i41 n GLY 161 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 3i41 n GLY 161 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i41 h HIS 162 N 1.11 0.78 -0.58 1.61 6.17 -1.30 -2.56 115.15 120.38 3i41 h HIS 162 Ca 0.35 -0.25 -0.02 0.00 0.71 0.00 0.00 60.37 61.16 3i41 h HIS 162 Cb 2.13 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 31.88 3i41 h HIS 162 CO 1.03 0.99 0.29 0.38 0.71 0.00 0.00 177.93 181.33 3i41 h ASP 163 N 0.34 0.73 -0.33 3.26 2.03 -1.80 -0.33 116.42 120.32 3i41 h ASP 163 Ca 0.03 -0.06 -0.08 0.00 -0.73 0.00 0.00 57.03 56.19 3i41 h ASP 163 Cb 0.90 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 3i41 h ASP 163 CO 0.07 0.61 -0.09 -0.09 -1.03 0.00 0.00 179.24 178.71 3i41 h ARG 164 N 0.81 0.65 -0.45 4.15 2.43 -1.89 -0.77 114.38 119.31 3i41 h ARG 164 Ca 0.20 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3i41 h ARG 164 Cb 0.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3i41 h ARG 164 CO -0.03 0.83 0.29 0.87 -1.51 0.00 0.00 179.97 180.42 3i41 h LYS 165 N 0.42 0.59 -0.33 0.20 1.57 -1.00 -2.67 116.57 115.35 3i41 h LYS 165 Ca 0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3i41 h LYS 165 Cb 0.59 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3i41 h LYS 165 CO 0.03 0.40 0.20 0.82 -0.57 0.00 0.00 179.45 180.33 3i41 h ILE 166 N 0.61 1.06 -0.78 1.86 2.04 -0.95 -2.62 117.51 118.72 3i41 h ILE 166 Ca 0.16 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.96 3i41 h ILE 166 Cb -0.06 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 3i41 h ILE 166 CO -0.03 0.08 0.44 0.03 0.00 0.00 0.00 178.15 178.66 3i41 h ARG 167 N 0.42 0.74 -0.33 2.37 3.08 -0.99 0.12 114.38 119.79 3i41 h ARG 167 Ca 0.12 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3i41 h ARG 167 Cb -0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3i41 h ARG 167 CO -0.04 0.49 0.16 0.00 -1.07 0.00 0.00 179.97 179.51 3i41 h ALA 168 N 1.42 0.40 -0.30 0.04 0.00 -1.20 0.24 119.26 119.87 3i41 h ALA 168 Ca 0.37 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3i41 h ALA 168 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3i41 h ALA 168 CO -0.23 -0.21 0.18 1.49 0.00 0.00 0.00 179.25 180.48 3i41 h GLU 169 N 0.34 0.36 -0.54 0.00 4.81 -1.03 -0.04 114.58 118.49 3i41 h GLU 169 Ca 0.14 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3i41 h GLU 169 Cb 0.05 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3i41 h GLU 169 CO -0.09 0.24 0.30 1.96 -0.73 0.00 0.00 179.01 180.68 3i41 h GLN 170 N 0.37 0.75 -0.40 1.92 4.20 -0.19 -0.07 115.11 121.69 3i41 h GLN 170 Ca 0.11 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 3i41 h GLN 170 Cb -0.02 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3i41 h GLN 170 CO -0.04 0.57 -0.21 0.52 -0.67 0.00 0.00 178.83 179.00 3i41 h MET 171 N 0.72 0.79 -0.96 1.46 2.86 -0.27 -2.01 114.93 117.52 3i41 h MET 171 Ca 0.19 -0.31 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3i41 h MET 171 Cb 0.04 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 3i41 h MET 171 CO -0.03 0.93 0.63 0.87 1.06 0.00 0.00 176.91 180.37 3i41 h LYS 172 N 0.69 1.17 -0.77 1.72 1.57 -0.65 -0.91 116.57 119.39 3i41 h LYS 172 Ca 0.10 -0.07 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3i41 h LYS 172 Cb 0.72 -0.26 -0.08 0.00 0.08 0.00 0.00 32.23 32.69 3i41 h LYS 172 CO 0.06 0.77 0.39 0.93 -0.57 0.00 0.00 179.45 181.02 3i41 h GLU 173 N 1.20 0.60 -0.00 3.15 5.08 -0.31 0.58 114.58 124.88 3i41 h GLU 173 Ca 0.38 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3i41 h GLU 173 Cb 0.02 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3i41 h GLU 173 CO -0.12 0.39 0.00 0.82 -1.00 0.00 0.00 179.01 179.10 3i41 h ILE 174 N 0.61 1.21 -0.58 3.13 2.04 -0.79 -0.63 117.51 122.50 3i41 h ILE 174 Ca 0.40 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 3i41 h ILE 174 Cb 0.48 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3i41 h ILE 174 CO -0.31 0.16 0.06 0.77 0.00 0.00 0.00 178.15 178.83 3i41 h SER 175 N -0.25 0.95 -0.15 1.72 4.64 -0.93 -1.66 113.55 117.87 3i41 h SER 175 Ca 0.00 -0.28 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 3i41 h SER 175 Cb 0.26 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3i41 h SER 175 CO 0.00 0.99 -0.30 0.44 -0.87 0.00 0.00 176.83 177.09 3i41 h ASP 176 N 0.87 -0.93 -0.73 4.97 3.32 0.18 -1.69 116.42 122.41 3i41 h ASP 176 Ca 0.17 0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.51 3i41 h ASP 176 Cb 0.47 0.40 -0.10 0.00 0.22 0.00 0.00 39.33 40.32 3i41 h ASP 176 CO 0.02 -0.34 0.23 0.15 -1.72 0.00 0.00 179.24 177.58 3i41 h PHE 177 N -0.36 0.38 -0.28 4.55 3.57 -0.89 0.58 116.94 124.49 3i41 h PHE 177 Ca 0.10 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3i41 h PHE 177 Cb 0.52 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3i41 h PHE 177 CO -0.40 -0.01 -0.03 0.28 -2.23 0.00 0.00 178.31 175.92 3i41 h VAL 178 N 0.35 1.27 0.33 1.41 2.07 -0.96 -1.03 116.25 119.69 3i41 h VAL 178 Ca 0.41 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3i41 h VAL 178 Cb 0.65 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3i41 h VAL 178 CO -0.45 0.32 -0.33 0.50 0.02 0.00 0.00 177.57 177.63 3i41 h LYS 179 N 0.30 -0.67 0.00 1.57 1.63 -1.00 -2.96 116.57 115.44 3i41 h LYS 179 Ca 0.08 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 3i41 h LYS 179 Cb 0.48 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 3i41 h LYS 179 CO 0.02 -0.44 -0.10 1.57 -3.45 0.00 0.00 179.45 177.04 3i41 h LYS 180 N -0.69 0.00 0.00 1.90 2.10 -0.82 -1.55 116.57 117.51 3i41 h LYS 180 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3i41 h LYS 180 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 3i41 h LYS 180 CO -0.07 0.10 0.00 1.17 -2.00 0.00 0.00 179.45 178.66 3i41 n LYS 181 N -3.45 0.11 -3.95 0.07 3.00 -0.40 -4.94 118.16 108.61 3i41 n LYS 181 Ca -0.01 0.31 -0.39 0.00 -0.00 0.00 0.00 58.31 58.22 3i41 n LYS 181 Cb 0.26 -1.70 0.02 0.00 0.00 0.00 0.00 35.03 33.61 3i41 n LYS 181 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3i41 n ASN 182 N -1.91 -3.95 -4.74 3.14 5.15 -0.58 -4.93 115.26 107.43 3i41 n ASN 182 Ca 0.03 -1.18 -0.40 0.00 -0.60 0.00 0.00 54.58 52.43 3i41 n ASN 182 Cb 0.23 -2.36 -0.05 0.00 -0.53 0.00 0.00 39.78 37.07 3i41 n ASN 182 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i41 s ILE 183 N -3.59 4.23 0.12 -1.44 1.01 -1.26 -4.99 121.20 115.28 3i41 s ILE 183 Ca 0.42 2.08 -0.35 0.00 0.00 0.00 0.00 60.65 62.80 3i41 s ILE 183 Cb -0.20 -4.32 -0.16 0.00 0.01 0.00 0.00 42.46 37.79 3i41 s ILE 183 CO 0.93 0.43 1.36 -2.65 0.00 0.00 0.00 174.94 175.01 3i41 n PRO 184 N 1.98 1.38 0.13 2.79 -0.02 -1.26 -4.84 135.00 135.16 3i41 n PRO 184 Ca -0.00 0.50 0.19 0.00 -2.02 0.00 0.00 63.50 62.17 3i41 n PRO 184 Cb 0.48 -2.14 0.77 0.00 -0.02 0.00 0.00 33.50 32.59 3i41 n PRO 184 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i41 h LYS 185 N 4.59 0.00 -0.61 -0.52 1.79 -1.94 -1.57 116.57 118.32 3i41 h LYS 185 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3i41 h LYS 185 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 3i41 h LYS 185 CO 0.78 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.75 3i41 n ASP 186 N -3.74 3.04 -4.36 0.86 5.75 -1.26 -0.04 116.55 116.80 3i41 n ASP 186 Ca 0.06 -2.28 -0.32 0.00 -0.01 0.00 0.00 54.79 52.23 3i41 n ASP 186 Cb 0.53 -0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 40.01 3i41 n ASP 186 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3i41 s GLU 187 N -1.74 2.70 0.29 0.11 2.02 -0.59 -4.77 118.70 116.71 3i41 s GLU 187 Ca 0.30 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 3i41 s GLU 187 Cb 0.20 -2.33 -0.09 0.00 0.10 0.00 0.00 34.13 32.01 3i41 s GLU 187 CO 0.14 0.43 1.08 0.99 0.02 0.00 0.00 175.26 177.91 3i41 s THR 188 N -0.24 3.56 -0.31 3.63 2.01 -1.26 -3.53 115.64 119.49 3i41 s THR 188 Ca -0.00 1.54 0.03 0.00 0.31 0.00 0.00 61.69 63.57 3i41 s THR 188 Cb -0.13 -3.97 0.09 0.00 0.01 0.00 0.00 72.50 68.50 3i41 s THR 188 CO 0.03 0.34 0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 3i41 s VAL 189 N -1.20 2.08 0.25 3.82 1.01 -1.26 -1.61 120.40 123.48 3i41 s VAL 189 Ca 0.45 -2.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 3i41 s VAL 189 Cb -0.31 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 3i41 s VAL 189 CO 0.39 -0.44 0.98 -0.31 0.00 0.00 0.00 175.10 175.72 3i41 s TYR 190 N 1.04 3.88 -0.11 5.22 2.02 -0.17 0.02 117.35 129.26 3i41 s TYR 190 Ca 0.05 1.86 -0.00 0.00 -0.37 0.00 0.00 57.07 58.61 3i41 s TYR 190 Cb -0.19 -3.06 0.02 0.00 -0.40 0.00 0.00 41.96 38.33 3i41 s TYR 190 CO -0.09 0.20 -0.07 0.42 -1.57 0.00 0.00 175.55 174.44 3i41 s ILE 191 N -1.16 0.98 0.08 2.71 1.01 0.12 -0.89 121.20 124.06 3i41 s ILE 191 Ca 0.42 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 3i41 s ILE 191 Cb -0.28 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3i41 s ILE 191 CO 0.34 0.36 0.09 -0.83 0.00 0.00 0.00 174.94 174.90 3i41 s GLY 192 N 1.70 0.31 0.00 6.18 0.00 -0.13 -0.06 107.32 115.32 3i41 s GLY 192 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3i41 s GLY 192 CO -0.08 -1.06 0.00 0.61 0.00 0.00 0.00 173.10 172.57 3i41 n GLY 193 N 0.01 0.29 3.40 0.20 0.00 -0.05 -1.05 105.19 107.99 3i41 n GLY 193 Ca -0.14 -1.64 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 3i41 n GLY 193 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i41 s ASP 194 N -4.00 6.19 0.00 1.61 -1.08 -1.10 -1.39 116.67 116.90 3i41 s ASP 194 Ca 0.00 -1.28 0.25 0.00 -0.52 0.00 0.00 52.55 51.00 3i41 s ASP 194 Cb 0.00 -2.32 0.50 0.00 -1.46 0.00 0.00 42.92 39.63 3i41 s ASP 194 CO 0.00 -1.16 1.40 0.18 0.52 0.00 0.00 175.17 176.12 3i41 n LEU 195 N 6.59 1.47 -2.20 -1.34 4.77 -0.22 -1.68 117.00 124.38 3i41 n LEU 195 Ca -0.08 -0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 55.25 3i41 n LEU 195 Cb 0.43 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3i41 n LEU 195 CO 0.59 0.27 -0.15 0.59 -1.33 0.00 0.00 177.39 177.36 3i41 n ASN 196 N -0.31 -5.25 -3.88 -1.43 3.02 -1.10 -4.68 115.26 101.64 3i41 n ASN 196 Ca 0.12 -0.09 -0.23 0.00 -0.03 0.00 0.00 54.58 54.34 3i41 n ASN 196 Cb 0.40 -4.25 -0.17 0.00 -0.61 0.00 0.00 39.78 35.15 3i41 n ASN 196 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i41 s VAL 197 N -2.95 0.67 0.22 2.41 1.01 -1.26 -4.83 120.40 115.67 3i41 s VAL 197 Ca 0.09 -0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 3i41 s VAL 197 Cb -0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 3i41 s VAL 197 CO 0.11 0.28 0.86 0.21 0.00 0.00 0.00 175.10 176.56 3i41 s ASN 198 N 1.38 7.46 0.63 3.32 2.47 -1.26 -4.34 114.94 124.61 3i41 s ASN 198 Ca -0.03 1.78 -0.18 0.00 0.42 0.00 0.00 52.86 54.84 3i41 s ASN 198 Cb -0.13 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.10 3i41 s ASN 198 CO -0.03 0.14 1.25 -0.75 -3.72 0.00 0.00 177.10 173.99 3i41 s LYS 199 N -1.35 2.70 0.00 0.43 2.20 -1.05 -3.27 119.74 119.40 3i41 s LYS 199 Ca 0.40 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 3i41 s LYS 199 Cb -0.23 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 3i41 s LYS 199 CO 0.28 -1.45 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 3i41 n GLY 200 N 0.71 1.52 3.93 5.54 0.00 -1.26 -4.92 105.19 110.70 3i41 n GLY 200 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3i41 n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i41 s THR 201 N -3.63 3.87 0.31 2.61 -4.23 -1.20 -4.99 115.64 108.38 3i41 s THR 201 Ca 0.00 -0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.36 3i41 s THR 201 Cb 0.00 -3.50 0.24 0.00 1.34 0.00 0.00 72.50 70.59 3i41 s THR 201 CO 0.00 -0.46 1.96 -0.65 -0.54 0.00 0.00 174.62 174.93 3i41 h PRO 202 N 0.05 0.98 -0.67 3.99 0.11 -1.95 -2.40 132.00 132.11 3i41 h PRO 202 Ca -0.46 -0.08 0.08 0.00 0.11 0.00 0.00 66.00 65.65 3i41 h PRO 202 Cb 1.25 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3i41 h PRO 202 CO 0.60 0.68 0.45 1.49 -0.21 0.00 0.00 178.00 181.01 3i41 h GLU 203 N 1.00 0.59 -0.85 1.05 4.81 -1.94 -2.54 114.58 116.70 3i41 h GLU 203 Ca 0.26 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.59 3i41 h GLU 203 Cb -0.05 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.11 3i41 h GLU 203 CO -0.05 0.39 0.46 0.35 -0.73 0.00 0.00 179.01 179.43 3i41 h PHE 204 N 0.60 0.82 -0.36 0.92 3.57 -1.64 0.94 116.94 121.79 3i41 h PHE 204 Ca 0.30 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 3i41 h PHE 204 Cb 0.40 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3i41 h PHE 204 CO -0.00 0.24 -0.03 0.87 -2.23 0.00 0.00 178.31 177.16 3i41 h LYS 205 N 0.69 0.59 -0.38 1.11 1.79 -1.57 -2.10 116.57 116.70 3i41 h LYS 205 Ca 0.45 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 3i41 h LYS 205 Cb 0.57 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 3i41 h LYS 205 CO -0.32 0.63 0.22 -0.44 -1.08 0.00 0.00 179.45 178.46 3i41 h ASP 206 N 0.55 0.47 -0.33 0.86 3.32 -1.06 -2.75 116.42 117.48 3i41 h ASP 206 Ca 0.11 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.14 3i41 h ASP 206 Cb 0.40 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3i41 h ASP 206 CO 0.02 0.40 0.09 -0.03 -1.72 0.00 0.00 179.24 178.00 3i41 h MET 207 N 0.50 0.21 -0.80 3.56 1.85 -0.50 0.67 114.93 120.43 3i41 h MET 207 Ca 0.14 -0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.30 3i41 h MET 207 Cb 0.03 -0.05 -0.07 0.00 0.43 0.00 0.00 31.60 31.94 3i41 h MET 207 CO -0.02 0.14 0.46 -0.07 -0.40 0.00 0.00 176.91 177.01 3i41 h LEU 208 N 0.22 0.66 -0.03 3.39 3.38 -1.26 0.14 115.31 121.80 3i41 h LEU 208 Ca 0.15 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3i41 h LEU 208 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i41 h LEU 208 CO -0.18 0.38 -0.20 0.11 0.09 0.00 0.00 178.44 178.64 3i41 h LYS 209 N 0.78 0.20 -0.36 1.13 6.56 -1.02 -1.41 116.57 122.44 3i41 h LYS 209 Ca 0.38 -0.17 -0.08 0.00 -1.06 0.00 0.00 60.65 59.72 3i41 h LYS 209 Cb 0.33 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 3i41 h LYS 209 CO -0.24 0.83 -0.12 -0.91 -2.06 0.00 0.00 179.45 176.96 3i41 h ASN 210 N -0.39 0.61 1.18 0.86 2.35 0.59 -2.18 115.58 118.60 3i41 h ASN 210 Ca -0.02 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3i41 h ASN 210 Cb 0.88 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3i41 h ASN 210 CO 0.04 0.76 -0.37 -0.07 -1.65 0.00 0.00 177.43 176.15 3i41 h LEU 211 N 0.57 0.00 -1.75 1.61 3.38 -0.83 -3.30 115.31 114.99 3i41 h LEU 211 Ca 0.10 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3i41 h LEU 211 Cb 0.54 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.40 3i41 h LEU 211 CO 0.03 0.05 -0.47 -3.20 0.09 0.00 0.00 178.44 174.94 3i41 n ASN 212 N -2.26 -2.13 -4.11 -0.43 5.15 -0.79 -4.57 115.26 106.13 3i41 n ASN 212 Ca 0.04 -0.38 -0.15 0.00 -0.60 0.00 0.00 54.58 53.49 3i41 n ASN 212 Cb 0.45 -3.37 -0.11 0.00 -0.53 0.00 0.00 39.78 36.22 3i41 n ASN 212 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i41 s VAL 213 N -3.22 0.75 0.42 3.44 -7.23 -0.60 -0.80 120.40 113.16 3i41 s VAL 213 Ca 0.01 -1.22 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 3i41 s VAL 213 Cb -0.01 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 36.03 3i41 s VAL 213 CO 0.45 -0.36 0.82 0.20 -0.31 0.00 0.00 175.10 175.90 3i41 s ASN 214 N -1.73 6.57 0.94 4.85 0.01 -1.26 -4.66 114.94 119.66 3i41 s ASN 214 Ca -0.06 1.25 -0.12 0.00 -0.71 0.00 0.00 52.86 53.22 3i41 s ASN 214 Cb -0.09 -2.37 0.16 0.00 0.41 0.00 0.00 41.25 39.35 3i41 s ASN 214 CO 0.01 -0.42 1.12 -0.62 -1.51 0.00 0.00 177.10 175.67 3i41 s ASP 215 N -3.04 3.16 0.41 -1.22 2.15 -1.26 -4.68 116.67 112.19 3i41 s ASP 215 Ca 0.53 1.08 0.01 0.00 0.43 0.00 0.00 52.55 54.60 3i41 s ASP 215 Cb -0.10 -1.70 -0.00 0.00 -0.30 0.00 0.00 42.92 40.81 3i41 s ASP 215 CO 0.30 -2.78 0.04 1.33 -0.17 0.00 0.00 175.17 173.88 3i41 n VAL 216 N -3.93 0.00 -3.19 1.11 0.24 -1.26 -5.06 118.33 106.24 3i41 n VAL 216 Ca 0.06 -2.07 -0.30 0.00 -2.04 0.00 0.00 64.34 59.98 3i41 n VAL 216 Cb 0.58 0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 33.42 3i41 n VAL 216 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i41 s LEU 217 N 0.00 4.02 0.04 1.34 1.43 -0.99 -4.97 118.68 119.55 3i41 s LEU 217 Ca 0.05 0.97 0.06 0.00 -1.03 0.00 0.00 54.13 54.18 3i41 s LEU 217 Cb 0.00 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 3i41 s LEU 217 CO 0.04 -0.22 -0.18 -0.31 0.23 0.00 0.00 176.35 175.90 3i41 s TYR 218 N -2.08 1.58 0.11 0.29 2.02 -1.26 -0.08 117.35 117.92 3i41 s TYR 218 Ca 0.48 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.80 3i41 s TYR 218 Cb -0.11 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 3i41 s TYR 218 CO 0.26 0.07 0.07 0.00 -1.57 0.00 0.00 175.55 174.38 3i41 s ALA 219 N -0.80 0.61 0.00 3.71 0.00 -0.38 -4.93 121.76 119.98 3i41 s ALA 219 Ca 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3i41 s ALA 219 Cb -0.08 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3i41 s ALA 219 CO 0.01 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3i41 n GLY 220 N -0.06 -0.91 3.74 0.00 0.00 -1.26 -1.44 105.19 105.26 3i41 n GLY 220 Ca -0.08 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 3i41 n GLY 220 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i41 s HIS 221 N 0.00 2.29 -1.44 1.61 5.65 -1.10 -4.81 115.29 117.48 3i41 s HIS 221 Ca 0.00 1.61 0.15 0.00 0.25 0.00 0.00 55.06 57.07 3i41 s HIS 221 Cb 0.00 -3.25 0.55 0.00 -1.18 0.00 0.00 32.58 28.70 3i41 s HIS 221 CO 0.00 -2.15 1.44 0.27 -0.65 0.00 0.00 174.74 173.65 3i41 n ASN 222 N -3.05 3.64 -3.82 9.88 6.94 -1.26 -4.52 115.26 123.06 3i41 n ASN 222 Ca 0.11 -2.25 -0.12 0.00 -0.02 0.00 0.00 54.58 52.30 3i41 n ASN 222 Cb 0.52 -0.48 -0.11 0.00 -2.36 0.00 0.00 39.78 37.36 3i41 n ASN 222 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3i41 s SER 223 N -0.86 -0.12 -0.03 0.53 0.15 -1.26 -4.67 113.70 107.44 3i41 s SER 223 Ca 0.40 0.13 0.12 0.00 0.70 0.00 0.00 55.95 57.29 3i41 s SER 223 Cb 0.24 0.33 -0.18 0.00 -1.71 0.00 0.00 66.02 64.70 3i41 s SER 223 CO 0.21 -0.25 0.23 0.35 1.20 0.00 0.00 173.24 174.98 3i41 n THR 224 N 2.08 0.11 -3.99 6.45 -2.24 0.42 -4.81 114.28 112.30 3i41 n THR 224 Ca -0.18 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 3i41 n THR 224 Cb 0.57 0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.74 3i41 n THR 224 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3i41 s TRP 225 N -2.75 2.82 -0.42 4.78 -0.00 -0.28 -0.44 118.94 122.65 3i41 s TRP 225 Ca -0.05 -2.07 0.02 0.00 -0.00 0.00 0.00 56.10 54.00 3i41 s TRP 225 Cb 0.07 -1.82 0.14 0.00 -0.00 0.00 0.00 33.47 31.85 3i41 s TRP 225 CO 0.49 -0.83 0.23 0.34 -0.00 0.00 0.00 176.95 177.17 3i41 s ASP 226 N 1.25 3.51 0.51 5.86 2.15 -1.26 -1.06 116.67 127.64 3i41 s ASP 226 Ca -0.05 -2.50 0.28 0.00 0.43 0.00 0.00 52.55 50.71 3i41 s ASP 226 Cb -0.19 -0.89 1.54 0.00 -0.30 0.00 0.00 42.92 43.08 3i41 s ASP 226 CO -0.06 -0.28 1.85 -0.65 -0.17 0.00 0.00 175.17 175.85 3i41 h PRO 227 N 6.84 0.00 0.00 4.34 0.11 -1.83 0.29 132.00 141.75 3i41 h PRO 227 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3i41 h PRO 227 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3i41 h PRO 227 CO 0.43 0.00 -0.58 1.96 -0.21 0.00 0.00 178.00 179.60 3i41 h GLN 228 N 0.00 0.00 0.00 1.05 4.20 -1.91 -3.36 115.11 115.09 3i41 h GLN 228 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i41 h GLN 228 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3i41 h GLN 228 CO 0.00 0.54 -0.10 -1.13 -0.67 0.00 0.00 178.83 177.47 3i41 n SER 229 N -3.22 0.51 -4.56 1.46 3.41 -0.84 -5.03 113.62 105.34 3i41 n SER 229 Ca 0.01 -0.15 -0.37 0.00 -0.26 0.00 0.00 58.87 58.11 3i41 n SER 229 Cb 0.76 0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 64.99 3i41 n SER 229 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i41 s ASN 230 N -0.50 5.72 0.40 4.04 3.84 0.03 -5.00 114.94 123.48 3i41 s ASN 230 Ca 0.00 -0.04 0.07 0.00 0.21 0.00 0.00 52.86 53.10 3i41 s ASN 230 Cb 0.00 -2.04 0.85 0.00 -0.55 0.00 0.00 41.25 39.51 3i41 s ASN 230 CO 0.00 0.00 2.04 0.77 -2.79 0.00 0.00 177.10 177.12 3i41 h SER 231 N 7.98 0.50 0.01 -4.21 4.64 -1.90 -1.09 113.55 119.47 3i41 h SER 231 Ca -0.37 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3i41 h SER 231 Cb 1.18 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3i41 h SER 231 CO 0.59 0.35 -0.00 0.40 -0.87 0.00 0.00 176.83 177.31 3i41 h ILE 232 N 0.59 1.62 -0.94 0.95 2.04 -1.93 -2.46 117.51 117.38 3i41 h ILE 232 Ca 0.19 -1.97 0.05 0.00 1.00 0.00 0.00 64.86 64.13 3i41 h ILE 232 Cb 0.03 2.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 3i41 h ILE 232 CO -0.05 0.50 0.62 0.00 0.00 0.00 0.00 178.15 179.22 3i41 h ALA 233 N 0.09 1.43 -0.38 1.87 0.00 -1.77 -2.02 119.26 118.47 3i41 h ALA 233 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3i41 h ALA 233 Cb 0.83 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i41 h ALA 233 CO 0.00 0.46 0.04 -0.22 0.00 0.00 0.00 179.25 179.54 3i41 h LYS 234 N 1.15 0.65 -0.82 0.00 3.64 -1.28 0.31 116.57 120.23 3i41 h LYS 234 Ca 0.39 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3i41 h LYS 234 Cb 0.08 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3i41 h LYS 234 CO -0.13 0.72 0.53 -0.92 -2.27 0.00 0.00 179.45 177.38 3i41 h TYR 235 N 0.49 1.00 0.08 1.91 3.20 -1.18 -2.70 116.97 119.77 3i41 h TYR 235 Ca 0.11 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.76 3i41 h TYR 235 Cb 0.40 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 3i41 h TYR 235 CO 0.03 0.61 -1.13 -0.91 -1.64 0.00 0.00 178.16 175.12 3i41 h ASN 236 N 1.07 0.32 -1.99 -2.11 2.35 -1.07 -3.42 115.58 110.73 3i41 h ASN 236 Ca 0.31 -0.32 -0.50 0.00 -0.55 0.00 0.00 56.30 55.23 3i41 h ASN 236 Cb -0.07 -0.10 -0.34 0.00 0.05 0.00 0.00 38.32 37.86 3i41 h ASN 236 CO -0.09 1.23 -0.91 -1.22 -1.65 0.00 0.00 177.43 174.80 3i41 n TYR 237 N -3.52 -1.39 -0.11 1.19 4.01 0.11 -5.04 117.16 112.41 3i41 n TYR 237 Ca -0.06 -2.99 0.27 0.00 -0.16 0.00 0.00 57.90 54.96 3i41 n TYR 237 Cb 0.97 0.40 0.71 0.00 -0.31 0.00 0.00 39.34 41.11 3i41 n TYR 237 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3i41 h PRO 238 N 5.16 0.00 0.00 -0.72 0.15 -1.69 0.12 132.00 135.02 3i41 h PRO 238 Ca 0.18 0.00 0.00 0.00 0.15 0.00 0.00 66.00 66.33 3i41 h PRO 238 Cb 0.94 0.00 0.00 0.00 0.15 0.00 0.00 31.00 32.09 3i41 h PRO 238 CO 0.33 0.00 0.00 -1.71 0.15 0.00 0.00 178.00 176.77 3i41 n ASN 239 N -3.94 0.00 -4.93 1.44 4.05 -1.26 -4.91 115.26 105.71 3i41 n ASN 239 Ca 0.16 0.00 -0.26 0.00 0.45 0.00 0.00 54.58 54.93 3i41 n ASN 239 Cb 0.95 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.94 3i41 n ASN 239 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3i41 s GLY 240 N 0.00 1.49 0.05 8.20 0.00 0.41 -5.07 107.32 112.40 3i41 s GLY 240 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.79 3i41 s GLY 240 CO 0.00 -0.64 0.56 -1.59 0.00 0.00 0.00 173.10 171.43 3i41 s LYS 241 N -4.25 4.20 0.54 2.90 -2.85 -1.26 -4.62 119.74 114.41 3i41 s LYS 241 Ca 0.43 0.70 -0.21 0.00 -1.00 0.00 0.00 55.97 55.89 3i41 s LYS 241 Cb -0.10 -3.26 -0.05 0.00 -2.06 0.00 0.00 37.83 32.36 3i41 s LYS 241 CO 0.37 0.59 1.28 -2.14 0.10 0.00 0.00 175.35 175.55 3i41 s PRO 242 N -0.93 3.19 0.10 1.78 0.02 -1.26 -4.81 135.00 133.10 3i41 s PRO 242 Ca 0.29 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3i41 s PRO 242 Cb -0.19 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 3i41 s PRO 242 CO 0.18 -1.09 -0.02 -1.21 -0.33 0.00 0.00 177.00 174.53 3i41 s GLU 243 N -2.98 0.81 -0.33 5.54 2.02 -0.22 -5.02 118.70 118.52 3i41 s GLU 243 Ca 0.72 -1.34 0.04 0.00 0.02 0.00 0.00 54.97 54.41 3i41 s GLU 243 Cb -0.36 0.00 0.10 0.00 0.10 0.00 0.00 34.13 33.97 3i41 s GLU 243 CO 0.41 -0.11 0.04 -1.58 0.02 0.00 0.00 175.26 174.05 3i41 s HIS 244 N -3.80 3.69 -0.03 1.61 5.65 -1.26 -0.43 115.29 120.71 3i41 s HIS 244 Ca 0.14 -2.93 0.01 0.00 0.25 0.00 0.00 55.06 52.53 3i41 s HIS 244 Cb 0.07 -2.83 -0.01 0.00 -1.18 0.00 0.00 32.58 28.63 3i41 s HIS 244 CO -0.04 -0.94 0.04 1.28 -0.65 0.00 0.00 174.74 174.42 3i41 n LEU 245 N 4.28 0.03 -4.57 8.88 4.77 -1.26 -2.53 117.00 126.60 3i41 n LEU 245 Ca 0.03 -0.37 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 3i41 n LEU 245 Cb 0.42 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 3i41 n LEU 245 CO 0.22 0.01 -0.33 -1.81 -1.33 0.00 0.00 177.39 174.14 3i41 s ASP 246 N -1.36 5.00 0.07 -1.43 1.11 -1.26 -1.06 116.67 117.74 3i41 s ASP 246 Ca 0.00 -0.02 -0.07 0.00 0.18 0.00 0.00 52.55 52.65 3i41 s ASP 246 Cb 0.01 -1.66 -0.01 0.00 1.07 0.00 0.00 42.92 42.32 3i41 s ASP 246 CO 0.04 0.24 0.13 -0.31 1.18 0.00 0.00 175.17 176.45 3i41 s TYR 247 N -0.08 0.23 -0.17 4.23 2.02 -0.49 -4.97 117.35 118.12 3i41 s TYR 247 Ca 0.03 -0.65 -0.00 0.00 -0.37 0.00 0.00 57.07 56.08 3i41 s TYR 247 Cb -0.13 -0.14 0.04 0.00 -0.40 0.00 0.00 41.96 41.33 3i41 s TYR 247 CO 0.02 -0.47 -0.05 0.42 -1.57 0.00 0.00 175.55 173.90 3i41 s ILE 248 N -3.53 1.16 0.51 2.71 1.01 -1.26 -0.87 121.20 120.93 3i41 s ILE 248 Ca 0.03 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3i41 s ILE 248 Cb 0.04 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.18 3i41 s ILE 248 CO -0.09 0.11 0.36 -0.36 0.00 0.00 0.00 174.94 174.96 3i41 s PHE 249 N 1.61 1.92 0.21 3.97 0.08 0.92 -4.87 117.98 121.81 3i41 s PHE 249 Ca 0.00 -0.76 0.09 0.00 0.12 0.00 0.00 56.93 56.38 3i41 s PHE 249 Cb -0.16 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3i41 s PHE 249 CO -0.08 -0.32 -0.16 0.95 -0.10 0.00 0.00 175.22 175.51 3i41 s THR 250 N -2.71 1.86 0.11 0.64 -4.23 -1.26 0.16 115.64 110.22 3i41 s THR 250 Ca 0.36 -2.17 -0.31 0.00 -1.18 0.00 0.00 61.69 58.40 3i41 s THR 250 Cb -0.01 -2.03 -0.08 0.00 1.34 0.00 0.00 72.50 71.72 3i41 s THR 250 CO 0.22 -0.50 1.35 -0.62 -0.54 0.00 0.00 174.62 174.53 3i41 s ASP 251 N -3.18 6.87 0.12 3.99 2.15 0.10 -4.08 116.67 122.65 3i41 s ASP 251 Ca 0.22 2.28 0.24 0.00 0.43 0.00 0.00 52.55 55.72 3i41 s ASP 251 Cb -0.03 -2.59 0.94 0.00 -0.30 0.00 0.00 42.92 40.95 3i41 s ASP 251 CO 0.08 -0.61 1.75 2.29 -0.17 0.00 0.00 175.17 178.51 3i41 n LYS 252 N 3.82 0.12 -0.06 4.34 2.85 0.02 -2.31 118.16 126.94 3i41 n LYS 252 Ca 0.11 0.20 0.12 0.00 -1.05 0.00 0.00 58.31 57.68 3i41 n LYS 252 Cb 0.43 -1.67 0.16 0.00 -0.65 0.00 0.00 35.03 33.30 3i41 n LYS 252 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i41 n ASP 253 N -1.89 3.08 -4.77 -5.58 8.00 -1.26 -4.93 116.55 109.20 3i41 n ASP 253 Ca 0.05 -1.98 -0.27 0.00 0.71 0.00 0.00 54.79 53.30 3i41 n ASP 253 Cb 0.32 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 3i41 n ASP 253 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3i41 s HIS 254 N -1.84 2.19 0.22 1.24 3.76 -0.98 -4.77 115.29 115.12 3i41 s HIS 254 Ca 0.32 -0.75 -0.32 0.00 -0.15 0.00 0.00 55.06 54.16 3i41 s HIS 254 Cb 0.21 -1.85 -0.13 0.00 1.11 0.00 0.00 32.58 31.92 3i41 s HIS 254 CO 0.31 0.07 1.47 1.17 -0.85 0.00 0.00 174.74 176.91 3i41 n LYS 255 N -1.34 2.14 -3.35 1.40 4.81 0.94 -4.87 118.16 117.89 3i41 n LYS 255 Ca -0.06 0.77 -0.38 0.00 -0.87 0.00 0.00 58.31 57.76 3i41 n LYS 255 Cb 0.65 -2.47 -0.06 0.00 0.02 0.00 0.00 35.03 33.18 3i41 n LYS 255 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3i41 s GLN 256 N -0.06 4.16 0.87 1.64 -1.52 -1.26 -4.23 119.66 119.25 3i41 s GLN 256 Ca 0.71 0.56 -0.11 0.00 -1.95 0.00 0.00 55.36 54.57 3i41 s GLN 256 Cb -0.64 -3.29 0.11 0.00 -0.22 0.00 0.00 33.01 28.97 3i41 s GLN 256 CO 0.46 0.50 1.09 -1.25 -0.25 0.00 0.00 175.29 175.85 3i41 s PRO 257 N -0.55 1.45 0.00 2.91 0.04 -1.26 -4.92 135.00 132.67 3i41 s PRO 257 Ca 0.27 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.33 3i41 s PRO 257 Cb -0.17 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3i41 s PRO 257 CO 0.15 -2.16 0.54 1.63 0.04 0.00 0.00 177.00 177.20 3i41 n LYS 258 N -3.86 0.00 -3.38 4.56 5.02 -1.26 -4.26 118.16 114.98 3i41 n LYS 258 Ca 0.08 0.54 -0.17 0.00 -2.02 0.00 0.00 58.31 56.75 3i41 n LYS 258 Cb 0.54 -0.95 -0.09 0.00 -0.02 0.00 0.00 35.03 34.51 3i41 n LYS 258 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3i41 s GLN 259 N -1.65 0.44 0.15 1.97 0.74 -1.26 -5.01 119.66 115.04 3i41 s GLN 259 Ca 0.00 -0.39 -0.30 0.00 0.05 0.00 0.00 55.36 54.71 3i41 s GLN 259 Cb 0.00 -0.67 -0.07 0.00 1.10 0.00 0.00 33.01 33.37 3i41 s GLN 259 CO 0.00 -1.09 1.20 -1.17 -0.55 0.00 0.00 175.29 173.68 3i41 s LEU 260 N 2.03 4.43 0.00 3.68 2.96 -1.26 -1.80 118.68 128.73 3i41 s LEU 260 Ca 0.12 2.18 0.08 0.00 -0.22 0.00 0.00 54.13 56.29 3i41 s LEU 260 Cb -0.14 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 3i41 s LEU 260 CO -0.22 -0.40 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.46 3i41 s VAL 261 N 0.29 2.18 -0.21 1.68 1.01 0.09 -2.34 120.40 123.09 3i41 s VAL 261 Ca 0.55 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 3i41 s VAL 261 Cb -0.32 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3i41 s VAL 261 CO 0.34 0.49 -0.09 0.20 0.00 0.00 0.00 175.10 176.04 3i41 s ASN 262 N -0.88 3.92 -0.24 3.32 -0.87 0.88 -2.55 114.94 118.52 3i41 s ASN 262 Ca 0.11 -0.50 -0.05 0.00 -1.57 0.00 0.00 52.86 50.85 3i41 s ASN 262 Cb -0.10 -1.65 -0.01 0.00 -0.02 0.00 0.00 41.25 39.47 3i41 s ASN 262 CO 0.00 -0.02 -0.00 -0.70 -2.57 0.00 0.00 177.10 173.81 3i41 s GLU 263 N 1.41 3.35 -0.12 -0.60 2.12 0.15 -1.24 118.70 123.77 3i41 s GLU 263 Ca 0.05 -0.65 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 3i41 s GLU 263 Cb -0.14 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 3i41 s GLU 263 CO -0.07 -0.24 1.13 0.08 -0.54 0.00 0.00 175.26 175.62 3i41 s VAL 264 N 1.50 4.48 -0.21 3.70 1.01 -0.52 -0.40 120.40 129.95 3i41 s VAL 264 Ca 0.05 1.78 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 3i41 s VAL 264 Cb -0.15 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 3i41 s VAL 264 CO -0.01 -0.06 0.12 -0.69 0.00 0.00 0.00 175.10 174.45 3i41 s VAL 265 N 2.60 5.11 -0.23 2.92 1.01 -0.26 -2.72 120.40 128.83 3i41 s VAL 265 Ca 0.51 0.09 0.13 0.00 0.00 0.00 0.00 61.98 62.71 3i41 s VAL 265 Cb -0.21 -3.35 0.49 0.00 0.00 0.00 0.00 36.38 33.31 3i41 s VAL 265 CO 0.16 0.40 1.41 0.35 0.00 0.00 0.00 175.10 177.43 3i41 n THR 266 N 3.95 2.39 -1.63 3.92 -2.24 -1.26 -3.62 114.28 115.78 3i41 n THR 266 Ca -0.16 -2.41 -0.43 0.00 -2.27 0.00 0.00 64.05 58.78 3i41 n THR 266 Cb 0.52 -0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3i41 n THR 266 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i41 n GLU 267 N -0.94 1.60 -4.94 -0.78 2.13 -1.26 -5.01 120.64 111.44 3i41 n GLU 267 Ca 0.27 0.56 -0.26 0.00 0.66 0.00 0.00 57.16 58.39 3i41 n GLU 267 Cb 0.94 -2.05 -0.16 0.00 0.27 0.00 0.00 31.44 30.44 3i41 n GLU 267 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3i41 s LYS 268 N -1.79 1.67 0.95 5.31 1.02 -1.26 -4.80 119.74 120.84 3i41 s LYS 268 Ca 0.59 -0.69 -0.12 0.00 0.02 0.00 0.00 55.97 55.77 3i41 s LYS 268 Cb -0.62 -1.57 0.16 0.00 -0.52 0.00 0.00 37.83 35.29 3i41 s LYS 268 CO 0.60 0.38 1.11 -1.25 -0.92 0.00 0.00 175.35 175.27 3i41 s PRO 269 N -0.34 0.84 0.49 -1.68 0.04 -1.25 -5.00 135.00 128.10 3i41 s PRO 269 Ca 0.05 0.49 -0.23 0.00 0.04 0.00 0.00 61.00 61.35 3i41 s PRO 269 Cb -0.09 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 3i41 s PRO 269 CO 0.00 -2.45 1.16 1.63 0.04 0.00 0.00 177.00 177.38 3i41 n LYS 270 N -3.97 1.50 -1.69 4.56 5.02 -1.26 -4.78 118.16 117.54 3i41 n LYS 270 Ca 0.06 0.55 -0.39 0.00 -2.02 0.00 0.00 58.31 56.50 3i41 n LYS 270 Cb 0.58 -2.30 0.04 0.00 -0.02 0.00 0.00 35.03 33.32 3i41 n LYS 270 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i41 n PRO 271 N -0.43 1.53 -4.26 1.97 -0.02 -1.26 -4.85 135.00 127.67 3i41 n PRO 271 Ca 0.10 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.94 3i41 n PRO 271 Cb 0.42 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 3i41 n PRO 271 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i41 s TRP 272 N -1.32 1.36 0.38 6.00 1.48 0.58 -4.96 118.94 122.46 3i41 s TRP 272 Ca 0.69 -0.42 0.08 0.00 -1.06 0.00 0.00 56.10 55.39 3i41 s TRP 272 Cb -0.45 -0.77 -0.07 0.00 -1.16 0.00 0.00 33.47 31.01 3i41 s TRP 272 CO 0.51 0.08 -0.04 0.16 -4.06 0.00 0.00 176.95 173.61 3i41 s ASP 273 N -1.59 3.82 -0.09 -2.66 -4.77 -1.26 -0.63 116.67 109.48 3i41 s ASP 273 Ca 0.01 -1.29 -0.05 0.00 -3.30 0.00 0.00 52.55 47.92 3i41 s ASP 273 Cb -0.09 -0.38 0.04 0.00 -1.09 0.00 0.00 42.92 41.40 3i41 s ASP 273 CO 0.02 -0.34 0.22 0.54 0.70 0.00 0.00 175.17 176.31 3i41 s VAL 274 N -2.66 -0.04 -0.58 2.11 0.11 -0.41 -4.90 120.40 114.01 3i41 s VAL 274 Ca 0.34 0.15 -0.20 0.00 -2.93 0.00 0.00 61.98 59.34 3i41 s VAL 274 Cb 0.07 -0.34 0.08 0.00 -1.53 0.00 0.00 36.38 34.65 3i41 s VAL 274 CO 0.17 0.06 0.78 -0.31 -3.33 0.00 0.00 175.10 172.47 3i41 s TYR 275 N 1.22 2.90 0.92 1.54 2.02 -1.26 -1.51 117.35 123.19 3i41 s TYR 275 Ca -0.09 -0.65 -0.13 0.00 -0.37 0.00 0.00 57.07 55.83 3i41 s TYR 275 Cb -0.11 -3.98 0.20 0.00 -0.40 0.00 0.00 41.96 37.68 3i41 s TYR 275 CO -0.08 -1.33 1.26 0.00 -1.57 0.00 0.00 175.55 173.84 3i41 s ALA 276 N 3.17 2.55 0.08 3.71 0.00 0.39 -5.01 121.76 126.66 3i41 s ALA 276 Ca 0.17 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 3i41 s ALA 276 Cb -0.20 -2.56 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3i41 s ALA 276 CO 0.10 -2.30 1.37 0.00 0.00 0.00 0.00 175.76 174.93 3i41 h ALA 277 N -1.45 -0.66 -0.24 0.00 0.00 -2.01 -3.30 119.26 111.60 3i41 h ALA 277 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i41 h ALA 277 Cb 1.23 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.98 3i41 h ALA 277 CO 0.35 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.77 3i41 n ALA 278 N -2.93 2.39 -3.40 0.00 0.00 -1.26 -5.01 120.51 110.30 3i41 n ALA 278 Ca -0.03 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.42 3i41 n ALA 278 Cb 0.24 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3i41 n ALA 278 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3i41 s TYR 279 N -1.29 -0.43 -0.06 0.00 1.13 -1.24 -5.16 117.35 110.31 3i41 s TYR 279 Ca 0.27 0.16 0.06 0.00 -1.41 0.00 0.00 57.07 56.16 3i41 s TYR 279 Cb 0.17 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.54 3i41 s TYR 279 CO 0.23 -0.88 -0.24 -0.47 -2.51 0.00 0.00 175.55 171.69 3i41 s TYR 280 N -3.79 2.33 0.02 -3.49 5.04 -1.26 -0.46 117.35 115.73 3i41 s TYR 280 Ca 0.03 -0.69 -0.07 0.00 -2.44 0.00 0.00 57.07 53.90 3i41 s TYR 280 Cb -0.01 -1.53 -0.00 0.00 0.35 0.00 0.00 41.96 40.77 3i41 s TYR 280 CO -0.10 -0.21 0.13 -0.47 -1.34 0.00 0.00 175.55 173.57 3i41 s TYR 281 N -0.13 0.09 -0.09 4.97 6.14 -0.57 -4.99 117.35 122.77 3i41 s TYR 281 Ca -0.04 -0.27 0.03 0.00 0.64 0.00 0.00 57.07 57.44 3i41 s TYR 281 Cb -0.13 -0.07 0.01 0.00 0.42 0.00 0.00 41.96 42.18 3i41 s TYR 281 CO 0.03 -0.33 -0.20 0.08 0.64 0.00 0.00 175.55 175.77 3i41 s VAL 282 N -1.95 1.77 0.34 3.14 1.01 -1.26 -1.29 120.40 122.16 3i41 s VAL 282 Ca -0.10 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3i41 s VAL 282 Cb -0.05 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.72 3i41 s VAL 282 CO -0.01 0.49 0.03 -0.31 0.00 0.00 0.00 175.10 175.31 3i41 s TYR 283 N 0.50 2.12 -0.28 5.22 2.02 0.19 -4.96 117.35 122.17 3i41 s TYR 283 Ca -0.16 -0.85 0.21 0.00 -0.37 0.00 0.00 57.07 55.89 3i41 s TYR 283 Cb -0.17 -1.41 0.49 0.00 -0.40 0.00 0.00 41.96 40.47 3i41 s TYR 283 CO 0.06 0.16 1.16 0.27 -1.57 0.00 0.00 175.55 175.63 3i41 n ASN 284 N -0.76 1.03 -4.31 2.29 6.94 -1.26 -0.31 115.26 118.89 3i41 n ASN 284 Ca -0.03 -2.16 -0.20 0.00 -0.02 0.00 0.00 54.58 52.17 3i41 n ASN 284 Cb 0.66 -0.28 -0.11 0.00 -2.36 0.00 0.00 39.78 37.69 3i41 n ASN 284 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3i41 s ASP 285 N -3.27 2.50 0.37 0.53 1.11 -1.26 -3.94 116.67 112.71 3i41 s ASP 285 Ca 0.24 -0.87 0.20 0.00 0.18 0.00 0.00 52.55 52.30 3i41 s ASP 285 Cb 0.36 -0.13 0.58 0.00 1.07 0.00 0.00 42.92 44.80 3i41 s ASP 285 CO -0.04 -0.08 1.68 -0.26 1.18 0.00 0.00 175.17 177.65 3i41 h PHE 286 N 3.22 0.00 -2.06 4.23 0.04 -1.90 -3.47 116.94 117.01 3i41 h PHE 286 Ca -0.41 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.55 3i41 h PHE 286 Cb 1.21 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.23 3i41 h PHE 286 CO 0.68 0.35 0.59 0.45 -0.60 0.00 0.00 178.31 179.77 3i41 s SER 287 N -6.35 -0.21 0.05 2.17 0.15 -1.26 -4.87 113.70 103.38 3i41 s SER 287 Ca 0.02 -0.19 0.25 0.00 0.70 0.00 0.00 55.95 56.73 3i41 s SER 287 Cb 0.10 0.36 1.01 0.00 -1.71 0.00 0.00 66.02 65.78 3i41 s SER 287 CO 0.68 -0.63 1.78 -0.90 1.20 0.00 0.00 173.24 175.38 3i41 n ASP 288 N -0.36 0.16 -4.79 5.45 5.75 -1.26 -4.73 116.55 116.76 3i41 n ASP 288 Ca -0.07 0.52 -0.31 0.00 -0.01 0.00 0.00 54.79 54.93 3i41 n ASP 288 Cb 0.61 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 3i41 n ASP 288 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3i41 s HIS 289 N -3.03 3.24 0.27 2.11 3.76 -1.26 -4.31 115.29 116.07 3i41 s HIS 289 Ca 0.11 0.12 -0.18 0.00 -0.15 0.00 0.00 55.06 54.96 3i41 s HIS 289 Cb 0.15 -1.65 -0.09 0.00 1.11 0.00 0.00 32.58 32.10 3i41 s HIS 289 CO 0.47 0.53 0.74 0.71 -0.85 0.00 0.00 174.74 176.34 3i41 s TYR 290 N -1.37 3.53 0.72 1.40 2.02 0.41 -4.87 117.35 119.18 3i41 s TYR 290 Ca 0.29 1.34 -0.11 0.00 -0.37 0.00 0.00 57.07 58.22 3i41 s TYR 290 Cb -0.12 -2.60 0.02 0.00 -0.40 0.00 0.00 41.96 38.85 3i41 s TYR 290 CO 0.22 0.22 1.07 -1.25 -1.57 0.00 0.00 175.55 174.24 3i41 s PRO 291 N -2.42 2.77 -0.05 -1.71 0.04 -1.24 -4.78 135.00 127.62 3i41 s PRO 291 Ca 0.48 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.34 3i41 s PRO 291 Cb -0.14 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3i41 s PRO 291 CO 0.19 -1.17 -0.21 0.96 0.04 0.00 0.00 177.00 176.81 3i41 s ILE 292 N -3.14 2.41 -0.13 0.56 -4.36 -0.43 -1.10 121.20 115.01 3i41 s ILE 292 Ca 0.58 -0.95 -0.06 0.00 -0.26 0.00 0.00 60.65 59.96 3i41 s ILE 292 Cb -0.13 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3i41 s ILE 292 CO 0.54 0.58 0.10 -0.54 0.24 0.00 0.00 174.94 175.86 3i41 s LYS 293 N -0.41 3.51 0.02 0.37 1.02 0.46 -1.50 119.74 123.21 3i41 s LYS 293 Ca 0.04 -0.22 0.08 0.00 0.02 0.00 0.00 55.97 55.89 3i41 s LYS 293 Cb -0.12 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 3i41 s LYS 293 CO 0.02 0.65 -0.24 0.00 -0.92 0.00 0.00 175.35 174.86 3i41 s ALA 294 N -0.68 2.01 0.18 5.17 0.00 0.03 0.34 121.76 128.81 3i41 s ALA 294 Ca 0.12 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 3i41 s ALA 294 Cb -0.12 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.61 3i41 s ALA 294 CO 0.02 0.48 0.84 1.52 0.00 0.00 0.00 175.76 178.62 3i41 s TYR 295 N -0.72 -0.21 -0.17 0.00 1.13 -1.06 -1.11 117.35 115.22 3i41 s TYR 295 Ca 0.10 -0.12 -0.11 0.00 -1.41 0.00 0.00 57.07 55.53 3i41 s TYR 295 Cb -0.09 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.37 3i41 s TYR 295 CO 0.01 -0.94 0.18 -1.12 -2.51 0.00 0.00 175.55 171.17 3i41 s SER 296 N -2.87 6.32 0.00 -0.18 0.01 -1.26 -0.73 113.70 114.99 3i41 s SER 296 Ca 0.10 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.73 3i41 s SER 296 Cb -0.03 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.09 3i41 s SER 296 CO 0.01 0.21 0.47 0.29 0.41 0.00 0.00 173.24 174.63