#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij4 n TRP 47 N 0.00 0.87 -0.89 1.45 -0.00 -1.26 -3.82 117.44 113.80 3ij4 n TRP 47 Ca 0.00 -1.66 0.00 0.00 -0.00 0.00 0.00 57.50 55.84 3ij4 n TRP 47 Cb 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 31.31 30.17 3ij4 n TRP 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ij4 n ALA 48 N 1.25 0.85 0.01 5.87 0.00 -1.26 -4.77 120.51 122.45 3ij4 n ALA 48 Ca 0.32 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 3ij4 n ALA 48 Cb 0.64 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.00 3ij4 n ALA 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ij4 h LEU 49 N 0.00 0.93 -2.51 0.00 5.85 -2.03 -3.24 115.31 114.32 3ij4 h LEU 49 Ca 0.00 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.04 3ij4 h LEU 49 Cb 0.79 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3ij4 h LEU 49 CO 0.00 1.47 0.00 0.00 -0.34 0.00 0.00 178.44 179.57 3ij4 h PHE 51 N 3.95 0.00 0.00 0.00 3.04 -1.86 0.79 116.94 122.87 3ij4 h PHE 51 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3ij4 h PHE 51 Cb 0.92 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.43 3ij4 h PHE 51 CO 0.46 0.90 -0.37 -1.33 -2.02 0.00 0.00 178.31 175.96 3ij4 n MET 52 N -3.43 0.10 0.14 1.11 2.81 -1.25 -2.56 117.12 114.03 3ij4 n MET 52 Ca -0.00 0.04 0.07 0.00 -1.81 0.00 0.00 57.70 56.00 3ij4 n MET 52 Cb 0.87 -1.58 0.04 0.00 -0.71 0.00 0.00 33.22 31.84 3ij4 n MET 52 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3ij4 h GLY 53 N 4.83 0.00 2.00 3.03 0.00 -1.56 -3.13 103.07 108.24 3ij4 h GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ij4 h GLY 53 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.54 176.77 3ij4 h SER 54 N 0.00 0.00 0.87 0.19 0.87 0.77 -2.66 113.55 113.59 3ij4 h SER 54 Ca -0.03 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 3ij4 h SER 54 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 3ij4 h SER 54 CO 0.03 0.00 -0.79 0.25 -0.53 0.00 0.00 176.83 175.79 3ij4 h LEU 55 N 0.00 0.00 -0.80 2.23 7.12 -1.45 -3.15 115.31 119.26 3ij4 h LEU 55 Ca 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.89 3ij4 h LEU 55 Cb 0.72 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 3ij4 h LEU 55 CO 0.00 0.79 -0.38 0.00 -0.13 0.00 0.00 178.44 178.71 3ij4 h ALA 56 N 1.21 0.97 -0.45 1.25 0.00 -1.43 -2.12 119.26 118.69 3ij4 h ALA 56 Ca -0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3ij4 h ALA 56 Cb 1.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3ij4 h ALA 56 CO 0.10 0.62 -0.06 -0.07 0.00 0.00 0.00 179.25 179.84 3ij4 h LEU 57 N 0.38 0.84 -0.25 0.00 3.38 -1.59 -2.86 115.31 115.21 3ij4 h LEU 57 Ca 0.04 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3ij4 h LEU 57 Cb 0.84 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3ij4 h LEU 57 CO 0.07 0.98 0.11 0.25 0.09 0.00 0.00 178.44 179.94 3ij4 h LEU 58 N 0.68 0.15 -0.21 1.67 6.46 -1.48 -2.61 115.31 119.96 3ij4 h LEU 58 Ca 0.12 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 3ij4 h LEU 58 Cb 0.59 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 3ij4 h LEU 58 CO 0.04 0.12 -0.03 0.00 -0.62 0.00 0.00 178.44 177.94 3ij4 h ALA 59 N 1.14 0.16 -0.33 1.25 0.00 -1.35 0.21 119.26 120.34 3ij4 h ALA 59 Ca 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3ij4 h ALA 59 Cb 0.05 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ij4 h ALA 59 CO -0.09 -0.46 -0.04 1.25 0.00 0.00 0.00 179.25 179.92 3ij4 h LEU 60 N 0.03 0.62 -0.38 0.00 5.85 -1.47 -0.48 115.31 119.48 3ij4 h LEU 60 Ca 0.10 -0.34 -0.19 0.00 0.84 0.00 0.00 57.88 58.30 3ij4 h LEU 60 Cb 0.14 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3ij4 h LEU 60 CO -0.20 0.81 -0.76 0.58 -0.34 0.00 0.00 178.44 178.53 3ij4 h VAL 61 N 0.41 1.39 0.05 1.05 2.07 -1.42 -3.27 116.25 116.53 3ij4 h VAL 61 Ca 0.09 -2.21 -0.25 0.00 0.82 0.00 0.00 66.70 65.15 3ij4 h VAL 61 Cb 0.52 2.17 0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3ij4 h VAL 61 CO 0.03 0.66 -1.06 0.00 0.02 0.00 0.00 177.57 177.22 3ij4 n THR 63 N -3.72 0.68 -0.03 0.00 5.66 -0.19 -3.12 114.28 113.55 3ij4 n THR 63 Ca -0.09 0.03 -0.08 0.00 -3.05 0.00 0.00 64.05 60.86 3ij4 n THR 63 Cb 0.90 -0.87 -0.14 0.00 -1.55 0.00 0.00 70.33 68.67 3ij4 n THR 63 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3ij4 n ASN 64 N -2.08 0.73 0.24 1.09 6.94 -1.23 -2.95 115.26 117.99 3ij4 n ASN 64 Ca 0.04 0.35 0.13 0.00 -0.02 0.00 0.00 54.58 55.08 3ij4 n ASN 64 Cb 0.31 0.14 0.47 0.00 -2.36 0.00 0.00 39.78 38.34 3ij4 n ASN 64 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 3ij4 h ARG 65 N 0.00 0.00 0.00 -3.83 2.47 -1.60 0.19 114.38 111.61 3ij4 h ARG 65 Ca -0.31 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.24 3ij4 h ARG 65 Cb 2.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.29 3ij4 h ARG 65 CO 0.07 0.09 -1.50 1.51 0.56 0.00 0.00 179.97 180.70 3ij4 n ILE 66 N -3.19 1.12 0.02 2.04 3.06 -1.18 -3.22 119.36 118.02 3ij4 n ILE 66 Ca 0.01 -0.69 -0.16 0.00 -2.50 0.00 0.00 62.75 59.42 3ij4 n ILE 66 Cb 0.41 -0.67 -0.05 0.00 0.54 0.00 0.00 39.64 39.87 3ij4 n ILE 66 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 3ij4 h GLN 67 N 0.00 0.62 -0.76 9.51 4.20 -1.41 -3.22 115.11 124.06 3ij4 h GLN 67 Ca -0.18 -0.57 -0.01 0.00 0.06 0.00 0.00 58.65 57.96 3ij4 h GLN 67 Cb 1.58 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 29.46 3ij4 h GLN 67 CO 0.04 1.19 0.45 -0.92 -0.67 0.00 0.00 178.83 178.91 3ij4 h TYR 68 N 0.40 1.00 -0.72 2.96 3.20 -1.07 -2.31 116.97 120.43 3ij4 h TYR 68 Ca -0.07 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 3ij4 h TYR 68 Cb 1.49 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 3ij4 h TYR 68 CO 0.08 0.67 0.30 -0.92 -1.64 0.00 0.00 178.16 176.65 3ij4 h TYR 69 N 1.04 1.08 0.00 -3.82 3.20 -1.62 -3.06 116.97 113.80 3ij4 h TYR 69 Ca 0.27 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3ij4 h TYR 69 Cb -0.03 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.92 3ij4 h TYR 69 CO 0.00 0.83 0.00 1.19 -1.64 0.00 0.00 178.16 178.54 3ij4 n PHE 70 N -4.37 0.06 0.50 -3.82 3.72 -0.91 -1.42 117.46 111.22 3ij4 n PHE 70 Ca 0.06 0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.60 3ij4 n PHE 70 Cb 0.17 -0.53 0.46 0.00 -0.94 0.00 0.00 39.48 38.64 3ij4 n PHE 70 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3ij4 n LEU 71 N -1.55 0.72 -3.65 4.37 4.77 -0.97 -4.96 117.00 115.72 3ij4 n LEU 71 Ca 0.06 0.63 -0.29 0.00 -0.03 0.00 0.00 56.01 56.38 3ij4 n LEU 71 Cb 0.30 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 3ij4 n LEU 71 CO 0.24 -0.40 -0.07 -1.22 -1.33 0.00 0.00 177.39 174.60 3ij4 n TYR 72 N -2.24 -1.95 -2.80 -1.77 4.01 -0.51 -4.94 117.16 106.95 3ij4 n TYR 72 Ca 0.04 0.53 -0.33 0.00 -0.16 0.00 0.00 57.90 57.98 3ij4 n TYR 72 Cb 0.31 -3.59 -0.07 0.00 -0.31 0.00 0.00 39.34 35.69 3ij4 n TYR 72 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3ij4 s PRO 73 N -5.84 4.21 0.08 -0.72 0.04 -1.26 -4.77 135.00 126.75 3ij4 s PRO 73 Ca 0.42 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.64 3ij4 s PRO 73 Cb -0.14 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 3ij4 s PRO 73 CO 0.85 -0.05 -0.14 -3.38 0.04 0.00 0.00 177.00 174.32 3ij4 s HIS 74 N -2.18 1.23 0.51 0.56 -3.43 -1.26 -1.91 115.29 108.81 3ij4 s HIS 74 Ca 0.62 -0.50 0.05 0.00 -0.80 0.00 0.00 55.06 54.43 3ij4 s HIS 74 Cb -0.09 -0.68 0.01 0.00 -1.43 0.00 0.00 32.58 30.39 3ij4 s HIS 74 CO 0.13 0.07 0.28 0.14 -2.00 0.00 0.00 174.74 173.37 3ij4 s VAL 75 N -1.60 1.66 -0.06 -5.38 -7.23 0.91 -4.87 120.40 103.83 3ij4 s VAL 75 Ca 0.01 -1.63 0.06 0.00 -1.81 0.00 0.00 61.98 58.61 3ij4 s VAL 75 Cb -0.08 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 3ij4 s VAL 75 CO 0.02 0.00 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.68 3ij4 s THR 76 N -2.76 2.18 -0.40 5.32 2.01 -1.26 -0.24 115.64 120.49 3ij4 s THR 76 Ca 0.29 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 3ij4 s THR 76 Cb -0.01 -1.80 0.10 0.00 0.01 0.00 0.00 72.50 70.81 3ij4 s THR 76 CO 0.17 0.57 0.20 -0.75 -0.69 0.00 0.00 174.62 174.12 3ij4 s LYS 77 N -0.16 2.12 -0.25 4.92 2.20 0.29 -4.94 119.74 123.92 3ij4 s LYS 77 Ca -0.03 -1.73 -0.08 0.00 -0.36 0.00 0.00 55.97 53.76 3ij4 s LYS 77 Cb -0.14 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3ij4 s LYS 77 CO 0.04 -1.02 0.09 -1.17 -0.36 0.00 0.00 175.35 172.92 3ij4 s LEU 78 N 1.19 3.58 -0.27 5.43 0.20 -1.26 -1.76 118.68 125.78 3ij4 s LEU 78 Ca 0.06 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.74 3ij4 s LEU 78 Cb -0.23 -1.96 0.08 0.00 -0.43 0.00 0.00 46.19 43.65 3ij4 s LEU 78 CO -0.03 -0.02 0.02 -1.81 -0.29 0.00 0.00 176.35 174.22 3ij4 s ASP 79 N 1.54 3.96 -0.24 3.68 1.01 -0.34 -4.97 116.67 121.31 3ij4 s ASP 79 Ca 0.06 -1.44 -0.21 0.00 0.71 0.00 0.00 52.55 51.67 3ij4 s ASP 79 Cb -0.15 -1.10 -0.02 0.00 1.01 0.00 0.00 42.92 42.66 3ij4 s ASP 79 CO 0.05 -0.32 0.64 -1.61 0.21 0.00 0.00 175.17 174.13 3ij4 s GLU 80 N 1.43 4.14 0.03 8.23 2.02 -1.26 -1.57 118.70 131.72 3ij4 s GLU 80 Ca 0.02 0.58 -0.06 0.00 0.02 0.00 0.00 54.97 55.54 3ij4 s GLU 80 Cb -0.18 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.41 3ij4 s GLU 80 CO -0.12 -0.37 0.10 0.14 0.02 0.00 0.00 175.26 175.03 3ij4 s VAL 81 N 2.35 0.12 -0.36 2.63 -7.23 0.11 -5.02 120.40 113.01 3ij4 s VAL 81 Ca 0.27 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.15 3ij4 s VAL 81 Cb -0.16 -0.78 0.01 0.00 0.56 0.00 0.00 36.38 36.02 3ij4 s VAL 81 CO 0.09 -0.55 1.28 0.00 -0.31 0.00 0.00 175.10 175.61 3ij4 s ALA 82 N -2.32 3.27 0.83 1.32 0.00 -1.26 -1.90 121.76 121.69 3ij4 s ALA 82 Ca -0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 3ij4 s ALA 82 Cb -0.03 -3.83 0.16 0.00 0.00 0.00 0.00 23.12 19.43 3ij4 s ALA 82 CO -0.03 -1.97 1.14 0.00 0.00 0.00 0.00 175.76 174.90 3ij4 s ALA 83 N 4.58 3.06 0.41 0.00 0.00 -1.26 -4.98 121.76 123.57 3ij4 s ALA 83 Ca 0.55 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 51.03 3ij4 s ALA 83 Cb -0.14 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 3ij4 s ALA 83 CO 0.26 -1.91 0.16 0.95 0.00 0.00 0.00 175.76 175.23 3ij4 s THR 84 N -3.48 0.44 -0.88 0.00 -4.23 -1.26 -4.75 115.64 101.47 3ij4 s THR 84 Ca 0.70 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.15 3ij4 s THR 84 Cb -0.04 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.53 3ij4 s THR 84 CO 0.48 0.00 0.14 -2.11 -0.54 0.00 0.00 174.62 172.59 3ij4 n ARG 85 N -0.90 -0.92 -3.05 3.99 -4.01 -1.24 -4.84 116.66 105.70 3ij4 n ARG 85 Ca -0.04 0.06 -0.39 0.00 -1.04 0.00 0.00 57.85 56.43 3ij4 n ARG 85 Cb 0.64 -2.12 -0.06 0.00 -3.04 0.00 0.00 32.46 27.89 3ij4 n ARG 85 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 3ij4 s LEU 86 N -4.80 4.52 -0.07 2.89 2.96 -0.50 -4.86 118.68 118.82 3ij4 s LEU 86 Ca 0.20 1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 55.28 3ij4 s LEU 86 Cb -0.11 -3.17 -0.02 0.00 0.50 0.00 0.00 46.19 43.38 3ij4 s LEU 86 CO 0.52 0.14 1.08 -0.89 -1.32 0.00 0.00 176.35 175.89 3ij4 s THR 87 N -0.68 4.56 0.18 3.68 2.01 -1.26 0.33 115.64 124.46 3ij4 s THR 87 Ca 0.35 1.85 -0.30 0.00 0.31 0.00 0.00 61.69 63.90 3ij4 s THR 87 Cb -0.21 -4.19 -0.08 0.00 0.01 0.00 0.00 72.50 68.04 3ij4 s THR 87 CO 0.23 0.03 1.17 0.12 -0.69 0.00 0.00 174.62 175.47 3ij4 s PHE 88 N 1.91 3.48 1.26 4.92 5.36 -0.55 -4.88 117.98 129.48 3ij4 s PHE 88 Ca 0.52 1.47 -0.18 0.00 -0.96 0.00 0.00 56.93 57.78 3ij4 s PHE 88 Cb -0.22 -3.38 0.31 0.00 -0.34 0.00 0.00 43.02 39.39 3ij4 s PHE 88 CO 0.21 -1.02 1.01 -1.25 -1.46 0.00 0.00 175.22 172.71 3ij4 s PRO 89 N -0.20 -1.70 0.10 10.12 0.04 -1.26 -4.85 135.00 137.24 3ij4 s PRO 89 Ca 0.52 0.32 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 3ij4 s PRO 89 Cb -0.31 -1.51 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 3ij4 s PRO 89 CO 0.36 -4.11 0.45 0.00 0.04 0.00 0.00 177.00 173.74 3ij4 s ALA 90 N -2.55 3.68 -0.26 8.56 0.00 0.33 -4.77 121.76 126.74 3ij4 s ALA 90 Ca 0.69 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.38 3ij4 s ALA 90 Cb -0.16 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.66 3ij4 s ALA 90 CO 0.59 0.53 -0.09 0.08 0.00 0.00 0.00 175.76 176.88 3ij4 s VAL 91 N -1.42 2.03 -0.08 0.00 1.01 -0.45 -1.93 120.40 119.55 3ij4 s VAL 91 Ca 0.34 -1.59 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 3ij4 s VAL 91 Cb -0.14 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3ij4 s VAL 91 CO 0.18 -0.08 0.26 -0.89 0.00 0.00 0.00 175.10 174.57 3ij4 s THR 92 N 1.16 5.30 0.03 3.92 2.01 -0.92 -0.55 115.64 126.58 3ij4 s THR 92 Ca -0.07 0.49 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 3ij4 s THR 92 Cb -0.20 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 3ij4 s THR 92 CO -0.06 0.56 0.09 0.72 -0.69 0.00 0.00 174.62 175.24 3ij4 s PHE 93 N -0.77 0.20 -0.03 4.92 -0.12 -0.05 -1.46 117.98 120.67 3ij4 s PHE 93 Ca 0.18 -0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 56.56 3ij4 s PHE 93 Cb -0.14 -0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.12 3ij4 s PHE 93 CO 0.07 -0.34 0.07 0.00 -0.05 0.00 0.00 175.22 174.97 3ij4 s ASN 95 N 0.19 6.73 0.45 0.00 3.84 -1.26 -1.24 114.94 123.65 3ij4 s ASN 95 Ca -0.01 2.38 0.25 0.00 0.21 0.00 0.00 52.86 55.68 3ij4 s ASN 95 Cb -0.02 -2.62 0.90 0.00 -0.55 0.00 0.00 41.25 38.95 3ij4 s ASN 95 CO -0.01 -0.53 1.81 -0.07 -2.79 0.00 0.00 177.10 175.52 3ij4 h LEU 96 N 3.01 0.00 -9.27 3.21 3.38 -1.80 -3.40 115.31 110.44 3ij4 h LEU 96 Ca -0.48 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.92 3ij4 h LEU 96 Cb 1.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 3ij4 h LEU 96 CO 0.64 0.20 0.32 0.21 0.09 0.00 0.00 178.44 179.90 3ij4 s ASN 97 N -6.14 7.06 0.01 -0.43 2.47 -1.26 -4.71 114.94 111.94 3ij4 s ASN 97 Ca 0.01 1.29 -0.11 0.00 0.42 0.00 0.00 52.86 54.47 3ij4 s ASN 97 Cb 0.10 -2.47 -0.33 0.00 -1.45 0.00 0.00 41.25 37.10 3ij4 s ASN 97 CO 0.63 -0.30 0.91 -0.33 -3.72 0.00 0.00 177.10 174.29 3ij4 h GLU 98 N 7.07 0.43 -4.66 0.43 5.08 -1.79 -3.44 114.58 117.70 3ij4 h GLU 98 Ca -0.35 -0.74 -0.56 0.00 -1.00 0.00 0.00 59.36 56.72 3ij4 h GLU 98 Cb 1.16 0.28 -0.34 0.00 0.50 0.00 0.00 28.75 30.35 3ij4 h GLU 98 CO 0.80 1.34 -0.83 -0.06 -1.00 0.00 0.00 179.01 179.27 3ij4 s PHE 99 N -2.60 1.76 -0.02 4.33 0.08 -1.26 -4.11 117.98 116.16 3ij4 s PHE 99 Ca -0.10 -0.76 -0.30 0.00 0.12 0.00 0.00 56.93 55.89 3ij4 s PHE 99 Cb 0.05 -1.29 -0.05 0.00 -0.57 0.00 0.00 43.02 41.16 3ij4 s PHE 99 CO 0.90 -0.40 1.48 1.03 -0.10 0.00 0.00 175.22 178.13 3ij4 s ARG 100 N 0.88 4.24 0.41 0.44 0.52 0.32 -3.81 118.95 121.95 3ij4 s ARG 100 Ca -0.10 2.03 0.14 0.00 -0.52 0.00 0.00 55.73 57.28 3ij4 s ARG 100 Cb -0.15 -3.69 0.98 0.00 0.52 0.00 0.00 34.95 32.61 3ij4 s ARG 100 CO 0.01 -0.67 1.92 0.35 0.02 0.00 0.00 175.30 176.93 3ij4 h PHE 101 N 8.31 0.56 0.00 -0.53 3.57 -1.13 -0.73 116.94 126.99 3ij4 h PHE 101 Ca -0.38 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3ij4 h PHE 101 Cb 1.17 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3ij4 h PHE 101 CO 0.79 0.22 0.00 0.66 -2.23 0.00 0.00 178.31 177.75 3ij4 h SER 102 N 0.49 0.00 0.02 0.41 4.64 -1.92 -3.25 113.55 113.95 3ij4 h SER 102 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3ij4 h SER 102 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3ij4 h SER 102 CO -0.13 0.00 -1.07 0.54 -0.87 0.00 0.00 176.83 175.30 3ij4 n ARG 103 N -2.64 0.06 -2.22 4.77 5.12 -0.30 -4.84 116.66 116.61 3ij4 n ARG 103 Ca 0.03 -0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.52 3ij4 n ARG 103 Cb 0.36 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 3ij4 n ARG 103 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ij4 s VAL 104 N -3.05 3.65 0.83 1.55 1.01 -1.13 -4.77 120.40 118.49 3ij4 s VAL 104 Ca 0.07 0.57 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 3ij4 s VAL 104 Cb 0.16 -4.12 0.15 0.00 0.00 0.00 0.00 36.38 32.58 3ij4 s VAL 104 CO 0.87 -0.88 1.15 0.42 0.00 0.00 0.00 175.10 176.66 3ij4 s THR 105 N 6.78 2.08 0.18 3.92 -4.23 -1.26 -4.86 115.64 118.24 3ij4 s THR 105 Ca 0.63 -0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 60.72 3ij4 s THR 105 Cb -0.14 -2.80 0.08 0.00 1.34 0.00 0.00 72.50 70.97 3ij4 s THR 105 CO 0.27 0.00 1.83 0.50 -0.54 0.00 0.00 174.62 176.68 3ij4 h LYS 106 N -1.05 0.75 -0.34 3.99 3.64 -1.94 -1.22 116.57 120.41 3ij4 h LYS 106 Ca -0.41 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 58.78 3ij4 h LYS 106 Cb 1.26 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3ij4 h LYS 106 CO 0.41 0.52 -0.32 -0.97 -2.27 0.00 0.00 179.45 176.83 3ij4 h ASN 107 N 0.76 0.77 -0.55 4.20 -1.24 -1.94 -2.44 115.58 115.14 3ij4 h ASN 107 Ca 0.20 -0.31 0.04 0.00 0.71 0.00 0.00 56.30 56.94 3ij4 h ASN 107 Cb -0.05 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 38.74 3ij4 h ASN 107 CO -0.04 1.03 0.30 0.44 -1.29 0.00 0.00 177.43 177.87 3ij4 h ASP 108 N 0.62 0.45 -0.16 1.15 3.32 -1.82 -2.66 116.42 117.32 3ij4 h ASP 108 Ca 0.07 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3ij4 h ASP 108 Cb 0.85 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3ij4 h ASP 108 CO 0.07 0.31 -0.23 0.25 -1.72 0.00 0.00 179.24 177.92 3ij4 h LEU 109 N 0.58 0.62 0.97 1.55 5.85 -1.14 -2.00 115.31 121.75 3ij4 h LEU 109 Ca 0.24 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3ij4 h LEU 109 Cb 0.10 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 40.98 3ij4 h LEU 109 CO -0.14 0.84 -0.47 0.22 -0.34 0.00 0.00 178.44 178.55 3ij4 h TYR 110 N 0.54 -1.21 -0.34 1.25 3.20 -1.18 0.94 116.97 120.18 3ij4 h TYR 110 Ca 0.08 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3ij4 h TYR 110 Cb 0.69 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 3ij4 h TYR 110 CO 0.03 -0.75 0.05 0.45 -1.64 0.00 0.00 178.16 176.30 3ij4 h HIS 111 N -1.34 0.61 -0.01 -3.82 3.86 -1.54 -3.34 115.15 109.56 3ij4 h HIS 111 Ca -0.13 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 3ij4 h HIS 111 Cb 1.00 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3ij4 h HIS 111 CO -0.00 0.64 -0.26 0.00 0.86 0.00 0.00 177.93 179.17 3ij4 n ALA 112 N -2.35 3.02 -0.19 2.45 0.00 -0.75 -4.64 120.51 118.05 3ij4 n ALA 112 Ca -0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 53.44 52.85 3ij4 n ALA 112 Cb 0.23 -0.58 0.10 0.00 0.00 0.00 0.00 19.45 19.19 3ij4 n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ij4 h GLY 113 N 3.53 0.75 0.95 0.00 0.00 -0.93 -1.87 103.07 105.49 3ij4 h GLY 113 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 3ij4 h GLY 113 CO 0.00 -0.09 -0.08 -2.09 0.00 0.00 0.00 176.54 174.28 3ij4 h GLU 114 N 0.27 0.70 -0.27 4.80 4.81 -1.81 0.34 114.58 123.43 3ij4 h GLU 114 Ca 0.30 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 3ij4 h GLU 114 Cb 0.43 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3ij4 h GLU 114 CO -0.37 0.85 0.19 1.25 -0.73 0.00 0.00 179.01 180.20 3ij4 h LEU 115 N 0.50 0.01 -2.00 1.64 5.85 -1.77 -0.11 115.31 119.43 3ij4 h LEU 115 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ij4 h LEU 115 Cb 0.58 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3ij4 h LEU 115 CO 0.03 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.32 3ij4 n LEU 116 N -4.46 2.93 -2.07 2.25 4.77 -0.74 -4.72 117.00 114.96 3ij4 n LEU 116 Ca 0.03 -1.39 -0.20 0.00 -0.03 0.00 0.00 56.01 54.42 3ij4 n LEU 116 Cb 0.35 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3ij4 n LEU 116 CO 0.35 0.70 -0.23 0.00 -1.33 0.00 0.00 177.39 176.88 3ij4 n ALA 117 N 1.11 -0.50 -0.00 -1.18 0.00 -0.05 -4.78 120.51 115.11 3ij4 n ALA 117 Ca 0.19 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3ij4 n ALA 117 Cb 0.48 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.77 3ij4 n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ij4 n LEU 118 N -2.72 0.51 -4.18 0.00 4.77 0.08 -4.18 117.00 111.27 3ij4 n LEU 118 Ca -0.22 0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 3ij4 n LEU 118 Cb 0.67 0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.76 3ij4 n LEU 118 CO 0.29 0.18 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.26 3ij4 s LEU 119 N -5.46 2.09 0.00 2.23 1.43 -1.04 -4.11 118.68 113.82 3ij4 s LEU 119 Ca -0.05 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3ij4 s LEU 119 Cb 0.09 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.44 3ij4 s LEU 119 CO 0.83 0.17 0.00 -0.46 0.23 0.00 0.00 176.35 177.13 3ij4 n ASN 120 N 2.33 0.00 0.07 2.29 2.04 -0.49 -4.06 115.26 117.43 3ij4 n ASN 120 Ca -0.16 0.00 -0.14 0.00 -0.44 0.00 0.00 54.58 53.85 3ij4 n ASN 120 Cb 0.54 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.65 3ij4 n ASN 120 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 3ij4 h ASN 121 N 0.00 0.28 -0.17 0.53 7.08 -2.00 -3.33 115.58 117.97 3ij4 h ASN 121 Ca 0.00 -0.35 -0.08 0.00 -3.08 0.00 0.00 56.30 52.79 3ij4 h ASN 121 Cb 0.00 -0.09 -0.05 0.00 -2.08 0.00 0.00 38.32 36.10 3ij4 h ASN 121 CO 0.00 1.28 0.10 0.54 -2.08 0.00 0.00 177.43 177.27 3ij4 n ARG 122 N -3.42 1.31 -1.36 4.14 1.74 -1.26 -4.87 116.66 112.95 3ij4 n ARG 122 Ca -0.10 -0.56 -0.13 0.00 -0.77 0.00 0.00 57.85 56.29 3ij4 n ARG 122 Cb 1.02 -1.29 -0.05 0.00 -1.02 0.00 0.00 32.46 31.11 3ij4 n ARG 122 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ij4 n TYR 123 N 0.18 -0.03 -3.99 -1.55 4.01 -1.25 -4.97 117.16 109.56 3ij4 n TYR 123 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.61 3ij4 n TYR 123 Cb 0.67 -2.86 -0.06 0.00 -0.31 0.00 0.00 39.34 36.77 3ij4 n TYR 123 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 3ij4 s GLU 124 N -3.06 2.32 0.12 -0.72 -1.05 -1.26 -4.90 118.70 110.15 3ij4 s GLU 124 Ca 0.00 -1.72 -0.31 0.00 -0.15 0.00 0.00 54.97 52.79 3ij4 s GLU 124 Cb 0.00 -2.11 -0.09 0.00 -0.44 0.00 0.00 34.13 31.49 3ij4 s GLU 124 CO 0.00 -0.10 1.53 0.42 0.95 0.00 0.00 175.26 178.06 3ij4 s ILE 125 N -2.54 2.94 0.25 1.83 1.09 -1.26 -1.40 121.20 122.10 3ij4 s ILE 125 Ca 0.42 0.62 -0.29 0.00 -1.10 0.00 0.00 60.65 60.30 3ij4 s ILE 125 Cb 0.01 -3.40 -0.15 0.00 -1.06 0.00 0.00 42.46 37.87 3ij4 s ILE 125 CO 0.24 0.04 0.99 -2.65 -0.10 0.00 0.00 174.94 173.46 3ij4 n PRO 126 N 4.35 1.15 -0.34 2.79 -0.02 -1.26 -4.82 135.00 136.85 3ij4 n PRO 126 Ca 0.14 0.41 0.25 0.00 -2.02 0.00 0.00 63.50 62.27 3ij4 n PRO 126 Cb 0.40 -1.77 0.53 0.00 -0.02 0.00 0.00 33.50 32.64 3ij4 n PRO 126 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3ij4 h ASP 127 N 2.24 0.42 0.00 2.55 3.58 -1.99 -3.34 116.42 119.88 3ij4 h ASP 127 Ca -0.39 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.16 3ij4 h ASP 127 Cb 1.35 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.44 3ij4 h ASP 127 CO 0.63 0.03 0.00 1.07 -2.88 0.00 0.00 179.24 178.09 3ij4 n THR 128 N -4.66 0.00 0.00 2.25 5.66 -1.26 -5.07 114.28 111.20 3ij4 n THR 128 Ca 0.27 0.54 0.00 0.00 -3.05 0.00 0.00 64.05 61.81 3ij4 n THR 128 Cb 0.97 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 3ij4 n THR 128 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ij4 n GLN 129 N -0.05 0.00 -3.53 1.09 -0.00 -1.26 -4.97 117.38 108.66 3ij4 n GLN 129 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.73 3ij4 n GLN 129 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 30.24 30.10 3ij4 n GLN 129 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3ij4 s THR 130 N 0.92 -0.13 0.00 -0.39 -4.23 -1.26 -5.12 115.64 105.44 3ij4 s THR 130 Ca 0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3ij4 s THR 130 Cb 0.00 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.93 3ij4 s THR 130 CO 0.00 -0.61 0.00 0.00 -0.54 0.00 0.00 174.62 173.47 3ij4 n ALA 131 N 5.27 0.00 -2.57 3.99 0.00 -1.26 -5.01 120.51 120.93 3ij4 n ALA 131 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 3ij4 n ALA 131 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 3ij4 n ALA 131 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ij4 s ASP 132 N -4.00 3.76 0.32 0.00 2.15 -1.26 -4.74 116.67 112.90 3ij4 s ASP 132 Ca 0.00 -0.30 0.11 0.00 0.43 0.00 0.00 52.55 52.79 3ij4 s ASP 132 Cb 0.00 -0.88 0.95 0.00 -0.30 0.00 0.00 42.92 42.69 3ij4 s ASP 132 CO 0.00 0.30 1.68 1.05 -0.17 0.00 0.00 175.17 178.04 3ij4 h GLU 133 N 5.65 0.38 0.01 4.34 4.11 -1.99 0.16 114.58 127.23 3ij4 h GLU 133 Ca -0.41 -0.02 -0.32 0.00 0.07 0.00 0.00 59.36 58.68 3ij4 h GLU 133 Cb 1.16 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 3ij4 h GLU 133 CO 0.50 0.25 -1.91 0.36 0.07 0.00 0.00 179.01 178.28 3ij4 n LYS 134 N -5.02 0.65 0.06 1.06 0.00 -1.26 -4.23 118.16 109.43 3ij4 n LYS 134 Ca 0.28 0.22 -0.23 0.00 -0.00 0.00 0.00 58.31 58.58 3ij4 n LYS 134 Cb 0.85 -1.72 -0.15 0.00 -0.00 0.00 0.00 35.03 34.02 3ij4 n LYS 134 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 3ij4 h GLN 135 N 0.00 0.37 0.00 -1.58 4.20 -1.80 -3.32 115.11 112.99 3ij4 h GLN 135 Ca -0.36 -0.63 -0.00 0.00 0.06 0.00 0.00 58.65 57.72 3ij4 h GLN 135 Cb 2.07 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 30.09 3ij4 h GLN 135 CO 0.06 1.30 -0.01 1.25 -0.67 0.00 0.00 178.83 180.76 3ij4 h LEU 136 N -0.06 0.00 -0.18 1.46 5.85 -0.93 0.32 115.31 121.76 3ij4 h LEU 136 Ca -0.30 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3ij4 h LEU 136 Cb 1.96 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 3ij4 h LEU 136 CO 0.16 0.01 0.05 -0.33 -0.34 0.00 0.00 178.44 177.99 3ij4 h GLU 137 N 0.00 0.28 0.02 1.25 3.07 -1.74 -2.70 114.58 114.76 3ij4 h GLU 137 Ca -0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3ij4 h GLU 137 Cb 0.02 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3ij4 h GLU 137 CO 0.00 0.41 -0.01 0.82 -1.40 0.00 0.00 179.01 178.83 3ij4 h ILE 138 N 0.10 1.25 -0.39 3.13 1.08 -1.12 -3.07 117.51 118.50 3ij4 h ILE 138 Ca 0.06 -0.82 -0.10 0.00 -0.39 0.00 0.00 64.86 63.61 3ij4 h ILE 138 Cb 0.25 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.78 3ij4 h ILE 138 CO -0.00 0.21 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.44 3ij4 h LEU 139 N -0.37 0.71 -0.69 1.44 3.38 -1.15 -2.87 115.31 115.76 3ij4 h LEU 139 Ca -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3ij4 h LEU 139 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ij4 h LEU 139 CO 0.00 0.88 -0.20 -0.61 0.09 0.00 0.00 178.44 178.60 3ij4 h GLN 140 N 0.64 0.00 -0.23 1.13 4.15 -1.57 0.11 115.11 119.33 3ij4 h GLN 140 Ca 0.10 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 3ij4 h GLN 140 Cb 0.62 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3ij4 h GLN 140 CO 0.04 0.20 -0.08 0.22 -1.93 0.00 0.00 178.83 177.28 3ij4 h ASP 141 N 0.00 0.47 -0.06 -0.69 3.58 -1.40 -2.93 116.42 115.40 3ij4 h ASP 141 Ca -0.00 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3ij4 h ASP 141 Cb 0.90 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.82 3ij4 h ASP 141 CO 0.03 0.76 0.00 2.29 -2.88 0.00 0.00 179.24 179.43 3ij4 n LYS 142 N -4.54 1.79 0.00 0.28 2.85 -1.14 -3.20 118.16 114.20 3ij4 n LYS 142 Ca -0.04 -1.16 0.13 0.00 -1.05 0.00 0.00 58.31 56.18 3ij4 n LYS 142 Cb 0.32 -1.46 0.31 0.00 -0.65 0.00 0.00 35.03 33.55 3ij4 n LYS 142 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ij4 n ALA 143 N 0.40 3.26 -2.17 0.58 0.00 0.36 -4.71 120.51 118.22 3ij4 n ALA 143 Ca 0.18 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 3ij4 n ALA 143 Cb 0.39 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 3ij4 n ALA 143 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3ij4 s ASN 144 N -2.62 5.78 0.00 0.00 2.47 -1.11 -4.85 114.94 114.61 3ij4 s ASN 144 Ca 0.21 0.59 0.23 0.00 0.42 0.00 0.00 52.86 54.30 3ij4 s ASN 144 Cb 0.19 -2.53 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 3ij4 s ASN 144 CO 0.57 -1.93 1.10 0.49 -3.72 0.00 0.00 177.10 173.62 3ij4 n PHE 145 N 10.81 0.00 -1.99 0.43 3.72 -1.26 -4.75 117.46 124.41 3ij4 n PHE 145 Ca 0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 3ij4 n PHE 145 Cb 0.49 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 3ij4 n PHE 145 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3ij4 s ARG 146 N -2.55 4.01 0.00 -1.08 3.00 -1.26 -0.96 118.95 120.10 3ij4 s ARG 146 Ca 0.17 2.06 0.00 0.00 0.00 0.00 0.00 55.73 57.96 3ij4 s ARG 146 Cb 0.18 -4.03 0.00 0.00 0.00 0.00 0.00 34.95 31.10 3ij4 s ARG 146 CO 0.61 -1.05 0.00 0.09 0.00 0.00 0.00 175.30 174.95 3ij4 n ASN 147 N 7.79 0.00 -4.80 0.23 3.02 -1.26 -5.09 115.26 115.15 3ij4 n ASN 147 Ca 0.19 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.38 3ij4 n ASN 147 Cb 0.43 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.53 3ij4 n ASN 147 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ij4 s PHE 148 N -2.18 3.50 -0.17 3.10 5.36 -0.14 -5.09 117.98 122.36 3ij4 s PHE 148 Ca 0.00 0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.40 3ij4 s PHE 148 Cb 0.00 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 3ij4 s PHE 148 CO 0.00 0.50 -0.18 -1.59 -1.46 0.00 0.00 175.22 172.49 3ij4 s LYS 149 N -0.29 3.05 0.15 10.12 -2.85 -1.26 -5.02 119.74 123.63 3ij4 s LYS 149 Ca 0.11 -0.81 -0.33 0.00 -1.00 0.00 0.00 55.97 53.95 3ij4 s LYS 149 Cb -0.11 -2.60 -0.17 0.00 -2.06 0.00 0.00 37.83 32.89 3ij4 s LYS 149 CO 0.01 -0.16 0.99 -0.35 0.10 0.00 0.00 175.35 175.94 3ij4 n PRO 150 N 4.49 0.66 -4.33 1.78 -0.04 -1.26 -5.02 135.00 131.28 3ij4 n PRO 150 Ca -0.20 0.24 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 3ij4 n PRO 150 Cb 0.50 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 3ij4 n PRO 150 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3ij4 s LYS 151 N -0.50 2.12 0.56 0.54 1.02 -1.26 -5.11 119.74 117.11 3ij4 s LYS 151 Ca 0.74 -1.56 -0.19 0.00 0.02 0.00 0.00 55.97 54.98 3ij4 s LYS 151 Cb -0.95 -2.03 -0.07 0.00 -0.52 0.00 0.00 37.83 34.26 3ij4 s LYS 151 CO 0.54 0.31 0.84 -0.35 -0.92 0.00 0.00 175.35 175.77 3ij4 n PRO 152 N -0.85 0.86 -3.69 -1.68 -0.04 -1.26 -5.01 135.00 123.33 3ij4 n PRO 152 Ca -0.06 0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 63.62 3ij4 n PRO 152 Cb 0.60 -2.00 -0.09 0.00 -0.04 0.00 0.00 33.50 31.97 3ij4 n PRO 152 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3ij4 s PHE 153 N -1.53 -0.67 0.02 0.54 5.36 -1.26 -5.09 117.98 115.34 3ij4 s PHE 153 Ca 0.71 1.49 -0.00 0.00 -0.96 0.00 0.00 56.93 58.17 3ij4 s PHE 153 Cb -0.45 0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 42.51 3ij4 s PHE 153 CO 0.51 -0.35 -0.03 0.54 -1.46 0.00 0.00 175.22 174.44 3ij4 s ASN 154 N 0.96 0.23 0.33 6.13 4.22 -1.26 -5.02 114.94 120.54 3ij4 s ASN 154 Ca -0.06 -0.48 0.05 0.00 -2.14 0.00 0.00 52.86 50.24 3ij4 s ASN 154 Cb -0.06 0.10 0.59 0.00 1.28 0.00 0.00 41.25 43.17 3ij4 s ASN 154 CO -0.08 -0.29 1.83 0.24 -2.04 0.00 0.00 177.10 176.76 3ij4 h MET 155 N 4.68 0.42 -0.60 3.55 2.86 -1.94 -2.44 114.93 121.45 3ij4 h MET 155 Ca -0.32 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 3ij4 h MET 155 Cb 1.21 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 3ij4 h MET 155 CO 0.41 0.55 0.33 1.25 1.06 0.00 0.00 176.91 180.51 3ij4 h LEU 156 N 0.39 0.75 -0.50 1.22 5.85 -1.95 0.32 115.31 121.40 3ij4 h LEU 156 Ca 0.07 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 3ij4 h LEU 156 Cb 0.46 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3ij4 h LEU 156 CO 0.03 0.62 -0.44 -0.08 -0.34 0.00 0.00 178.44 178.23 3ij4 h GLU 157 N 0.82 0.74 -0.08 1.25 4.22 -1.95 -0.20 114.58 119.37 3ij4 h GLU 157 Ca 0.21 -0.41 -0.00 0.00 0.08 0.00 0.00 59.36 59.24 3ij4 h GLU 157 Cb 0.04 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ij4 h GLU 157 CO -0.03 1.03 0.04 0.35 -2.18 0.00 0.00 179.01 178.21 3ij4 h PHE 158 N 0.59 0.12 -0.32 0.92 3.57 -0.99 -0.08 116.94 120.74 3ij4 h PHE 158 Ca 0.04 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3ij4 h PHE 158 Cb 1.00 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3ij4 h PHE 158 CO 0.05 0.19 0.15 1.88 -2.23 0.00 0.00 178.31 178.35 3ij4 h TYR 159 N 0.01 0.27 -0.55 0.41 -1.99 -0.36 0.27 116.97 115.03 3ij4 h TYR 159 Ca 0.03 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 3ij4 h TYR 159 Cb 0.12 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 3ij4 h TYR 159 CO -0.03 0.14 0.29 0.22 -0.00 0.00 0.00 178.16 178.78 3ij4 h ASP 160 N 0.31 0.68 0.00 3.88 3.58 -0.71 0.24 116.42 124.40 3ij4 h ASP 160 Ca 0.14 -0.05 -0.32 0.00 0.42 0.00 0.00 57.03 57.21 3ij4 h ASP 160 Cb 0.07 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 40.90 3ij4 h ASP 160 CO -0.11 0.56 -1.75 -1.14 -2.88 0.00 0.00 179.24 173.92 3ij4 n ARG 161 N -4.39 0.58 0.17 0.28 0.63 -0.07 -4.36 116.66 109.50 3ij4 n ARG 161 Ca 0.05 0.46 0.05 0.00 -0.92 0.00 0.00 57.85 57.48 3ij4 n ARG 161 Cb 0.11 -1.65 0.19 0.00 0.45 0.00 0.00 32.46 31.56 3ij4 n ARG 161 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ij4 h ALA 162 N -0.67 0.83 -2.74 5.13 0.00 -1.03 -3.46 119.26 117.31 3ij4 h ALA 162 Ca -0.48 -0.37 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 3ij4 h ALA 162 Cb 1.43 -0.07 0.15 0.00 0.00 0.00 0.00 17.79 19.31 3ij4 h ALA 162 CO -0.29 0.51 0.16 0.41 0.00 0.00 0.00 179.25 180.04 3ij4 n GLY 163 N 0.76 -0.23 3.76 0.00 0.00 0.83 -0.52 105.19 109.78 3ij4 n GLY 163 Ca 0.01 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3ij4 n GLY 163 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ij4 n HIS 164 N -1.35 2.55 -3.91 1.61 8.25 -1.26 -4.79 115.22 116.32 3ij4 n HIS 164 Ca 0.12 0.44 -0.35 0.00 -0.26 0.00 0.00 57.72 57.66 3ij4 n HIS 164 Cb 0.45 -2.42 -0.11 0.00 1.12 0.00 0.00 29.99 29.03 3ij4 n HIS 164 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ij4 s ASP 165 N -0.64 5.46 0.39 0.41 2.15 -1.26 -4.91 116.67 118.27 3ij4 s ASP 165 Ca 0.65 -0.03 0.15 0.00 0.43 0.00 0.00 52.55 53.75 3ij4 s ASP 165 Cb -0.44 -1.96 1.01 0.00 -0.30 0.00 0.00 42.92 41.24 3ij4 s ASP 165 CO 0.54 0.09 1.82 -0.29 -0.17 0.00 0.00 175.17 177.16 3ij4 h ILE 166 N 5.15 0.66 0.00 4.11 6.09 -1.96 -1.54 117.51 130.02 3ij4 h ILE 166 Ca -0.37 -0.17 -0.03 0.00 -1.37 0.00 0.00 64.86 62.92 3ij4 h ILE 166 Cb 1.17 0.13 -0.00 0.00 0.47 0.00 0.00 36.82 38.59 3ij4 h ILE 166 CO 0.64 0.09 -0.16 0.03 -3.07 0.00 0.00 178.15 175.69 3ij4 h ARG 167 N 0.49 0.00 -0.00 2.19 3.08 -1.94 0.15 114.38 118.35 3ij4 h ARG 167 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 3ij4 h ARG 167 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3ij4 h ARG 167 CO -0.24 0.16 -0.43 -0.85 -1.07 0.00 0.00 179.97 177.54 3ij4 n GLU 168 N -3.66 2.98 0.02 0.04 0.28 -0.91 -4.58 120.64 114.81 3ij4 n GLU 168 Ca -0.02 -0.20 -0.22 0.00 -0.16 0.00 0.00 57.16 56.57 3ij4 n GLU 168 Cb 0.28 -1.05 -0.14 0.00 1.43 0.00 0.00 31.44 31.96 3ij4 n GLU 168 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 3ij4 h MET 169 N 0.38 0.28 -6.11 3.44 2.86 -0.96 -3.44 114.93 111.38 3ij4 h MET 169 Ca 0.00 -0.47 -0.51 0.00 -2.06 0.00 0.00 59.70 56.66 3ij4 h MET 169 Cb 0.30 0.18 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 3ij4 h MET 169 CO 0.00 1.23 1.19 -1.17 1.06 0.00 0.00 176.91 179.21 3ij4 s LEU 170 N -7.37 3.28 0.29 1.22 2.96 0.50 -1.71 118.68 117.85 3ij4 s LEU 170 Ca -0.20 -0.56 0.23 0.00 -0.22 0.00 0.00 54.13 53.38 3ij4 s LEU 170 Cb 0.05 -2.56 0.16 0.00 0.50 0.00 0.00 46.19 44.35 3ij4 s LEU 170 CO 0.78 -2.02 1.29 -0.07 -1.32 0.00 0.00 176.35 175.01 3ij4 h LEU 171 N 14.50 0.00 -7.00 -0.68 3.38 -1.62 -3.47 115.31 120.43 3ij4 h LEU 171 Ca -0.10 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3ij4 h LEU 171 Cb 1.06 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.57 3ij4 h LEU 171 CO 1.29 0.00 0.19 -0.55 0.09 0.00 0.00 178.44 179.47 3ij4 s SER 172 N -5.63 -0.74 -0.03 -0.43 0.15 -1.15 -4.95 113.70 100.92 3ij4 s SER 172 Ca 0.03 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.88 3ij4 s SER 172 Cb 0.08 1.30 0.03 0.00 -1.71 0.00 0.00 66.02 65.71 3ij4 s SER 172 CO 0.74 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.99 3ij4 s PHE 174 N 1.11 0.08 -0.16 0.00 0.08 0.44 -1.64 117.98 117.89 3ij4 s PHE 174 Ca -0.09 0.10 -0.00 0.00 0.12 0.00 0.00 56.93 57.06 3ij4 s PHE 174 Cb -0.13 -0.26 0.04 0.00 -0.57 0.00 0.00 43.02 42.10 3ij4 s PHE 174 CO -0.02 -0.09 -0.07 0.12 -0.10 0.00 0.00 175.22 175.06 3ij4 s PHE 175 N 1.01 1.85 -1.44 0.36 5.36 0.56 0.34 117.98 126.02 3ij4 s PHE 175 Ca -0.09 -1.15 -0.06 0.00 -0.96 0.00 0.00 56.93 54.67 3ij4 s PHE 175 Cb -0.12 -1.39 0.04 0.00 -0.34 0.00 0.00 43.02 41.21 3ij4 s PHE 175 CO -0.03 -0.63 0.74 0.54 -1.46 0.00 0.00 175.22 174.38 3ij4 n ARG 176 N 4.84 -4.61 0.00 10.12 1.74 -0.92 -1.23 116.66 126.61 3ij4 n ARG 176 Ca -0.13 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3ij4 n ARG 176 Cb 0.48 -5.13 0.00 0.00 -1.02 0.00 0.00 32.46 26.79 3ij4 n ARG 176 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ij4 n GLY 177 N -1.69 2.65 3.73 -0.13 0.00 -1.26 -5.00 105.19 103.48 3ij4 n GLY 177 Ca -0.16 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3ij4 n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ij4 s GLU 178 N 0.00 4.59 -0.05 1.61 0.41 -0.36 -5.03 118.70 119.87 3ij4 s GLU 178 Ca 0.00 1.28 -0.26 0.00 -0.41 0.00 0.00 54.97 55.58 3ij4 s GLU 178 Cb 0.00 -3.40 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 3ij4 s GLU 178 CO 0.00 0.16 0.83 1.14 -0.49 0.00 0.00 175.26 176.89 3ij4 s GLN 179 N 0.30 4.48 0.23 1.61 -2.07 -1.26 -0.32 119.66 122.62 3ij4 s GLN 179 Ca 0.45 1.12 0.04 0.00 -1.82 0.00 0.00 55.36 55.15 3ij4 s GLN 179 Cb -0.21 -3.46 -0.03 0.00 -1.09 0.00 0.00 33.01 28.21 3ij4 s GLN 179 CO 0.26 -0.01 0.36 0.00 -1.32 0.00 0.00 175.29 174.58 3ij4 s SER 181 N -3.83 3.47 0.63 0.00 1.04 -1.26 -4.22 113.70 109.53 3ij4 s SER 181 Ca 0.35 -1.59 0.29 0.00 0.48 0.00 0.00 55.95 55.48 3ij4 s SER 181 Cb -0.09 0.31 1.57 0.00 0.10 0.00 0.00 66.02 67.91 3ij4 s SER 181 CO 0.29 -0.79 1.92 -0.65 0.98 0.00 0.00 173.24 175.00 3ij4 h PRO 182 N 1.64 0.00 -0.69 4.02 0.11 -1.94 -0.56 132.00 134.59 3ij4 h PRO 182 Ca -0.41 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.78 3ij4 h PRO 182 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3ij4 h PRO 182 CO 0.69 0.00 0.45 0.93 -0.21 0.00 0.00 178.00 179.87 3ij4 h GLU 183 N 0.00 0.64 0.00 1.05 4.39 -2.00 -2.24 114.58 116.42 3ij4 h GLU 183 Ca 0.08 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3ij4 h GLU 183 Cb 0.83 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3ij4 h GLU 183 CO -0.00 0.42 0.00 -0.25 -1.16 0.00 0.00 179.01 178.02 3ij4 n ASP 184 N -4.48 0.00 -4.13 1.42 8.00 -0.22 -4.72 116.55 112.43 3ij4 n ASP 184 Ca 0.10 -1.57 -0.32 0.00 0.71 0.00 0.00 54.79 53.72 3ij4 n ASP 184 Cb 0.27 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.21 3ij4 n ASP 184 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ij4 s PHE 185 N -2.00 2.59 -0.12 1.24 0.08 -0.84 -3.68 117.98 115.25 3ij4 s PHE 185 Ca 0.09 -1.40 -0.18 0.00 0.12 0.00 0.00 56.93 55.56 3ij4 s PHE 185 Cb 0.04 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 3ij4 s PHE 185 CO 0.07 -0.68 0.48 0.21 -0.10 0.00 0.00 175.22 175.21 3ij4 s LYS 186 N 1.07 4.33 -0.04 0.44 2.20 0.54 -4.80 119.74 123.48 3ij4 s LYS 186 Ca -0.01 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 3ij4 s LYS 186 Cb -0.14 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 3ij4 s LYS 186 CO -0.07 0.14 1.40 0.54 -0.36 0.00 0.00 175.35 177.00 3ij4 s VAL 187 N 0.68 3.82 -0.01 4.02 0.11 -1.26 0.03 120.40 127.79 3ij4 s VAL 187 Ca 0.26 1.15 0.02 0.00 -2.93 0.00 0.00 61.98 60.48 3ij4 s VAL 187 Cb -0.15 -3.74 -0.00 0.00 -1.53 0.00 0.00 36.38 30.96 3ij4 s VAL 187 CO 0.10 -0.03 -0.08 0.54 -3.33 0.00 0.00 175.10 172.30 3ij4 s VAL 188 N 2.79 0.64 -0.17 2.04 0.11 0.57 -4.94 120.40 121.45 3ij4 s VAL 188 Ca 0.63 -0.32 -0.13 0.00 -2.93 0.00 0.00 61.98 59.23 3ij4 s VAL 188 Cb -0.30 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 3ij4 s VAL 188 CO 0.25 0.19 0.27 -0.36 -3.33 0.00 0.00 175.10 172.11 3ij4 s PHE 189 N -0.03 3.46 0.12 1.54 0.08 -1.26 -0.52 117.98 121.37 3ij4 s PHE 189 Ca 0.01 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.62 3ij4 s PHE 189 Cb -0.05 -2.31 -0.00 0.00 -0.57 0.00 0.00 43.02 40.09 3ij4 s PHE 189 CO -0.00 0.25 0.02 0.25 -0.10 0.00 0.00 175.22 175.64 3ij4 n THR 190 N 3.54 0.00 0.35 0.64 -2.24 -0.81 -4.62 114.28 111.13 3ij4 n THR 190 Ca -0.13 -0.64 0.11 0.00 -2.27 0.00 0.00 64.05 61.12 3ij4 n THR 190 Cb 0.52 0.18 0.49 0.00 -2.10 0.00 0.00 70.33 69.41 3ij4 n THR 190 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ij4 n ARG 191 N -0.30 0.17 0.09 -0.78 0.63 -1.26 -2.04 116.66 113.17 3ij4 n ARG 191 Ca -0.04 0.46 -0.15 0.00 -0.92 0.00 0.00 57.85 57.21 3ij4 n ARG 191 Cb 0.17 -1.86 -0.09 0.00 0.45 0.00 0.00 32.46 31.13 3ij4 n ARG 191 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3ij4 h TYR 192 N 0.00 0.54 0.00 -0.14 0.05 -1.94 -3.49 116.97 111.98 3ij4 h TYR 192 Ca 0.00 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.44 3ij4 h TYR 192 Cb 0.28 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3ij4 h TYR 192 CO 0.00 1.21 0.00 0.41 -1.05 0.00 0.00 178.16 178.73 3ij4 n GLY 193 N 1.24 0.35 3.58 3.88 0.00 -0.87 -4.50 105.19 108.87 3ij4 n GLY 193 Ca -0.08 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3ij4 n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ij4 s LYS 194 N -0.55 3.42 0.47 1.61 2.20 -1.26 -1.92 119.74 123.71 3ij4 s LYS 194 Ca 0.00 0.51 0.04 0.00 -0.36 0.00 0.00 55.97 56.16 3ij4 s LYS 194 Cb 0.00 -4.07 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 3ij4 s LYS 194 CO 0.00 -1.78 0.07 0.00 -0.36 0.00 0.00 175.35 173.28 3ij4 s TYR 196 N -2.77 0.27 -0.23 0.00 2.02 -0.76 -0.31 117.35 115.57 3ij4 s TYR 196 Ca 0.23 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 3ij4 s TYR 196 Cb 0.04 -0.21 0.04 0.00 -0.40 0.00 0.00 41.96 41.43 3ij4 s TYR 196 CO 0.13 -0.03 -0.13 0.99 -1.57 0.00 0.00 175.55 174.94 3ij4 s THR 197 N 0.11 2.25 0.30 -0.71 2.01 0.11 -0.87 115.64 118.84 3ij4 s THR 197 Ca -0.01 -1.31 -0.27 0.00 0.31 0.00 0.00 61.69 60.41 3ij4 s THR 197 Cb -0.03 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 70.21 3ij4 s THR 197 CO -0.00 0.19 0.97 0.12 -0.69 0.00 0.00 174.62 175.21 3ij4 s PHE 198 N 1.20 3.73 -1.43 4.92 5.36 0.29 -0.34 117.98 131.71 3ij4 s PHE 198 Ca -0.03 1.80 -0.08 0.00 -0.96 0.00 0.00 56.93 57.67 3ij4 s PHE 198 Cb -0.17 -3.00 0.05 0.00 -0.34 0.00 0.00 43.02 39.55 3ij4 s PHE 198 CO -0.08 0.12 0.87 -1.71 -1.46 0.00 0.00 175.22 172.97 3ij4 n ASN 199 N 0.85 -3.34 0.28 6.13 5.15 -1.24 -1.34 115.26 121.75 3ij4 n ASN 199 Ca 0.01 -0.78 0.15 0.00 -0.60 0.00 0.00 54.58 53.35 3ij4 n ASN 199 Cb 0.48 -4.01 0.81 0.00 -0.53 0.00 0.00 39.78 36.53 3ij4 n ASN 199 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ij4 h ALA 200 N 0.93 1.20 -6.30 5.20 0.00 -1.87 -3.36 119.26 115.06 3ij4 h ALA 200 Ca -0.59 -0.07 -0.47 0.00 0.00 0.00 0.00 54.91 53.78 3ij4 h ALA 200 Cb 1.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3ij4 h ALA 200 CO 0.62 0.10 -0.79 0.41 0.00 0.00 0.00 179.25 179.58 3ij4 n GLY 201 N -0.67 -0.42 3.57 0.00 0.00 -1.26 -4.83 105.19 101.59 3ij4 n GLY 201 Ca -0.02 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3ij4 n GLY 201 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ij4 s GLN 202 N -6.49 3.17 -0.17 1.61 -0.21 -1.26 -4.77 119.66 111.55 3ij4 s GLN 202 Ca 0.46 -0.50 -0.00 0.00 0.02 0.00 0.00 55.36 55.33 3ij4 s GLN 202 Cb -0.23 -2.77 0.00 0.00 1.00 0.00 0.00 33.01 31.01 3ij4 s GLN 202 CO 0.84 0.51 0.00 -3.47 -2.12 0.00 0.00 175.29 171.05 3ij4 n ASP 203 N 2.71 -5.27 0.00 5.90 2.03 -1.26 -4.32 116.55 116.34 3ij4 n ASP 203 Ca -0.18 0.78 0.00 0.00 0.52 0.00 0.00 54.79 55.91 3ij4 n ASP 203 Cb 0.53 -3.35 0.00 0.00 -0.72 0.00 0.00 41.12 37.58 3ij4 n ASP 203 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ij4 n GLY 204 N 0.38 0.94 3.59 0.27 0.00 -1.26 -4.91 105.19 104.20 3ij4 n GLY 204 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3ij4 n GLY 204 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ij4 n LYS 205 N -1.16 1.97 -1.81 1.61 4.76 -1.26 -4.86 118.16 117.42 3ij4 n LYS 205 Ca 0.00 0.59 -0.20 0.00 -2.87 0.00 0.00 58.31 55.83 3ij4 n LYS 205 Cb 0.00 -3.06 -0.06 0.00 -1.84 0.00 0.00 35.03 30.07 3ij4 n LYS 205 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ij4 s PRO 206 N 5.94 2.07 0.19 1.97 0.04 -1.26 -4.78 135.00 139.16 3ij4 s PRO 206 Ca 1.00 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 3ij4 s PRO 206 Cb -0.45 -4.92 -0.17 0.00 0.04 0.00 0.00 34.50 29.00 3ij4 s PRO 206 CO 0.39 -3.93 0.64 0.54 0.04 0.00 0.00 177.00 174.68 3ij4 n ARG 207 N 8.84 0.16 -2.54 4.56 1.74 -1.26 -4.91 116.66 123.25 3ij4 n ARG 207 Ca 0.44 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 57.17 3ij4 n ARG 207 Cb 0.45 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.69 3ij4 n ARG 207 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ij4 s LEU 208 N 2.39 4.57 0.22 0.55 1.43 -1.26 -4.97 118.68 121.61 3ij4 s LEU 208 Ca 0.67 2.19 0.09 0.00 -1.03 0.00 0.00 54.13 56.05 3ij4 s LEU 208 Cb -0.94 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3ij4 s LEU 208 CO 0.56 -0.08 -0.06 0.27 0.23 0.00 0.00 176.35 177.27 3ij4 s ILE 209 N -1.11 3.29 0.04 -0.59 -4.36 -1.26 -1.48 121.20 115.73 3ij4 s ILE 209 Ca 0.44 -1.79 0.08 0.00 -0.26 0.00 0.00 60.65 59.12 3ij4 s ILE 209 Cb -0.31 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.69 3ij4 s ILE 209 CO 0.39 -0.23 -0.22 -0.89 0.24 0.00 0.00 174.94 174.22 3ij4 s THR 210 N -1.99 1.79 -0.10 8.37 2.01 0.15 -4.85 115.64 121.02 3ij4 s THR 210 Ca 0.28 -1.24 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 3ij4 s THR 210 Cb -0.08 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 3ij4 s THR 210 CO 0.17 0.26 -0.14 0.80 -0.69 0.00 0.00 174.62 175.02 3ij4 n MET 211 N 1.85 0.23 -2.72 4.92 1.56 -1.26 -1.41 117.12 120.29 3ij4 n MET 211 Ca -0.17 0.10 -0.07 0.00 -0.27 0.00 0.00 57.70 57.29 3ij4 n MET 211 Cb 0.53 -0.89 -0.02 0.00 2.15 0.00 0.00 33.22 34.99 3ij4 n MET 211 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 3ij4 n LYS 212 N -3.52 0.79 -3.55 2.12 2.85 -1.26 -4.48 118.16 111.10 3ij4 n LYS 212 Ca -0.20 -1.03 -0.32 0.00 -1.05 0.00 0.00 58.31 55.71 3ij4 n LYS 212 Cb 0.61 0.58 -0.05 0.00 -0.65 0.00 0.00 35.03 35.52 3ij4 n LYS 212 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3ij4 s GLY 213 N -1.75 2.25 0.00 2.58 0.00 -1.26 -4.75 107.32 104.39 3ij4 s GLY 213 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3ij4 s GLY 213 CO 0.05 -0.32 0.00 0.61 0.00 0.00 0.00 173.10 173.43 3ij4 n GLY 214 N -0.03 3.19 0.32 0.20 0.00 -0.49 -4.81 105.19 103.57 3ij4 n GLY 214 Ca -0.01 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 44.11 3ij4 n GLY 214 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ij4 h THR 215 N 0.08 1.00 0.00 2.61 1.35 -1.95 -2.61 112.91 113.38 3ij4 h THR 215 Ca 0.00 -0.13 -0.04 0.00 -0.55 0.00 0.00 66.41 65.68 3ij4 h THR 215 Cb 0.00 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 3ij4 h THR 215 CO 0.00 0.07 -0.21 1.23 -0.25 0.00 0.00 175.52 176.36 3ij4 h GLY 216 N 0.39 0.00 -2.79 5.82 0.00 -1.96 -2.89 103.07 101.64 3ij4 h GLY 216 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 3ij4 h GLY 216 CO -0.04 0.00 0.05 -2.01 0.00 0.00 0.00 176.54 174.54 3ij4 n ASN 217 N -3.82 4.12 0.00 0.19 2.85 -0.98 -3.99 115.26 113.62 3ij4 n ASN 217 Ca -0.02 -2.68 0.00 0.00 -0.11 0.00 0.00 54.58 51.78 3ij4 n ASN 217 Cb 0.31 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.69 3ij4 n ASN 217 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ij4 n GLY 218 N 0.31 4.89 3.82 8.20 0.00 -1.09 -4.76 105.19 116.55 3ij4 n GLY 218 Ca 0.21 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 3ij4 n GLY 218 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ij4 s LEU 219 N 0.00 4.32 -0.07 0.99 2.96 0.64 -2.16 118.68 125.36 3ij4 s LEU 219 Ca 0.00 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3ij4 s LEU 219 Cb 0.00 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.61 3ij4 s LEU 219 CO 0.00 0.31 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.50 3ij4 s GLU 220 N -0.45 1.98 -0.02 1.98 2.12 0.15 -0.90 118.70 123.55 3ij4 s GLU 220 Ca 0.12 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 54.97 3ij4 s GLU 220 Cb -0.12 -1.60 0.00 0.00 0.26 0.00 0.00 34.13 32.68 3ij4 s GLU 220 CO 0.02 0.05 -0.07 0.96 -0.54 0.00 0.00 175.26 175.67 3ij4 s ILE 221 N 0.63 0.65 -0.17 -3.70 -4.36 -0.16 -0.42 121.20 113.67 3ij4 s ILE 221 Ca -0.15 -0.30 -0.05 0.00 -0.26 0.00 0.00 60.65 59.90 3ij4 s ILE 221 Cb -0.16 -0.58 -0.03 0.00 1.25 0.00 0.00 42.46 42.93 3ij4 s ILE 221 CO 0.04 0.21 -0.00 -0.32 0.24 0.00 0.00 174.94 175.11 3ij4 s MET 222 N 0.17 3.74 -0.01 0.37 1.75 -0.25 0.16 119.30 125.24 3ij4 s MET 222 Ca -0.02 -0.47 0.05 0.00 -1.25 0.00 0.00 55.69 54.00 3ij4 s MET 222 Cb -0.07 -3.03 -0.01 0.00 2.84 0.00 0.00 34.83 34.55 3ij4 s MET 222 CO 0.00 0.20 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.89 3ij4 s LEU 223 N 0.49 2.05 -0.41 4.11 1.43 0.98 -1.63 118.68 125.71 3ij4 s LEU 223 Ca -0.01 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 3ij4 s LEU 223 Cb -0.14 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.23 3ij4 s LEU 223 CO 0.02 0.20 0.28 -0.62 0.23 0.00 0.00 176.35 176.46 3ij4 s ASP 224 N -0.51 5.99 0.23 2.29 2.15 -0.69 -1.95 116.67 124.17 3ij4 s ASP 224 Ca 0.06 -1.00 0.25 0.00 0.43 0.00 0.00 52.55 52.29 3ij4 s ASP 224 Cb -0.07 -2.12 0.91 0.00 -0.30 0.00 0.00 42.92 41.34 3ij4 s ASP 224 CO -0.00 -0.46 1.74 2.30 -0.17 0.00 0.00 175.17 178.58 3ij4 n ILE 225 N 5.11 0.71 -2.91 4.11 -5.35 -0.92 -4.48 119.36 115.63 3ij4 n ILE 225 Ca -0.11 0.01 -0.11 0.00 -0.27 0.00 0.00 62.75 62.26 3ij4 n ILE 225 Cb 0.46 -0.90 0.05 0.00 -1.74 0.00 0.00 39.64 37.52 3ij4 n ILE 225 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ij4 n GLN 226 N -2.22 -1.77 0.26 6.28 6.02 -1.26 -4.92 117.38 119.77 3ij4 n GLN 226 Ca 0.04 0.76 0.13 0.00 -0.01 0.00 0.00 57.00 57.92 3ij4 n GLN 226 Cb 0.32 -5.03 0.81 0.00 1.02 0.00 0.00 30.24 27.35 3ij4 n GLN 226 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3ij4 h GLN 227 N -0.77 0.00 0.00 -1.09 4.20 -1.93 -0.23 115.11 115.29 3ij4 h GLN 227 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 3ij4 h GLN 227 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3ij4 h GLN 227 CO 0.35 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.11 3ij4 n ASP 228 N -4.08 0.00 -0.54 1.46 5.75 -1.26 -2.25 116.55 115.63 3ij4 n ASP 228 Ca -0.02 -0.29 0.06 0.00 -0.01 0.00 0.00 54.79 54.52 3ij4 n ASP 228 Cb 0.14 -0.16 0.10 0.00 -1.03 0.00 0.00 41.12 40.17 3ij4 n ASP 228 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ij4 n GLU 229 N -1.16 1.60 -2.45 0.11 -0.58 -0.10 -4.92 120.64 113.15 3ij4 n GLU 229 Ca 0.12 -1.57 -0.42 0.00 -0.42 0.00 0.00 57.16 54.88 3ij4 n GLU 229 Cb 0.12 -1.24 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 3ij4 n GLU 229 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3ij4 s TYR 230 N -0.96 3.48 0.25 -0.32 1.51 -0.96 -0.57 117.35 119.77 3ij4 s TYR 230 Ca 0.18 1.39 -0.31 0.00 -1.01 0.00 0.00 57.07 57.31 3ij4 s TYR 230 Cb 0.11 -3.38 -0.12 0.00 -0.11 0.00 0.00 41.96 38.46 3ij4 s TYR 230 CO 0.15 -1.09 1.63 1.28 -1.11 0.00 0.00 175.55 176.41 3ij4 n LEU 231 N 3.51 4.07 -4.66 -1.29 4.77 -1.25 -4.73 117.00 117.42 3ij4 n LEU 231 Ca 0.07 1.11 -0.45 0.00 -0.03 0.00 0.00 56.01 56.71 3ij4 n LEU 231 Cb 0.46 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.96 3ij4 n LEU 231 CO 0.55 0.10 0.95 -2.65 -1.33 0.00 0.00 177.39 175.01 3ij4 n PRO 232 N 2.89 1.91 -3.42 3.23 -0.02 -1.26 -4.96 135.00 133.38 3ij4 n PRO 232 Ca 0.12 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 3ij4 n PRO 232 Cb 0.35 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 3ij4 n PRO 232 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ij4 s VAL 233 N -0.19 5.20 -0.13 -1.45 1.01 -1.26 -4.90 120.40 118.68 3ij4 s VAL 233 Ca 0.67 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 62.27 3ij4 s VAL 233 Cb -0.67 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 31.63 3ij4 s VAL 233 CO 0.51 -0.31 0.26 0.79 0.00 0.00 0.00 175.10 176.36 3ij4 n TRP 234 N 5.31 0.00 -3.67 5.22 8.01 -1.26 -4.90 117.44 126.15 3ij4 n TRP 234 Ca -0.10 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.07 3ij4 n TRP 234 Cb 0.47 -0.16 -0.00 0.00 -2.01 0.00 0.00 31.31 29.61 3ij4 n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ij4 n GLY 235 N 1.75 3.06 3.32 6.99 0.00 -1.26 -4.89 105.19 114.16 3ij4 n GLY 235 Ca -0.01 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3ij4 n GLY 235 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ij4 s GLU 236 N -2.12 3.37 0.20 1.61 -1.05 -1.26 -4.95 118.70 114.51 3ij4 s GLU 236 Ca 0.04 -0.64 -0.01 0.00 -0.15 0.00 0.00 54.97 54.22 3ij4 s GLU 236 Cb -0.00 -2.92 -0.04 0.00 -0.44 0.00 0.00 34.13 30.73 3ij4 s GLU 236 CO 0.03 -0.11 0.12 0.95 0.95 0.00 0.00 175.26 177.20 3ij4 s THR 237 N 1.23 0.06 -1.54 1.83 -4.23 -1.26 -5.03 115.64 106.69 3ij4 s THR 237 Ca 0.03 -1.99 0.13 0.00 -1.18 0.00 0.00 61.69 58.67 3ij4 s THR 237 Cb -0.14 -2.47 0.26 0.00 1.34 0.00 0.00 72.50 71.49 3ij4 s THR 237 CO -0.02 -0.04 1.31 0.47 -0.54 0.00 0.00 174.62 175.80 3ij4 n ASP 238 N -0.27 0.00 -0.01 3.99 9.92 -1.26 -2.47 116.55 126.45 3ij4 n ASP 238 Ca 0.01 -0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.33 3ij4 n ASP 238 Cb 0.66 -0.23 -0.12 0.00 -0.64 0.00 0.00 41.12 40.79 3ij4 n ASP 238 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3ij4 n GLU 239 N -1.23 0.57 -3.94 -1.24 4.71 -1.26 -4.98 120.64 113.27 3ij4 n GLU 239 Ca 0.07 -0.13 -0.29 0.00 -0.01 0.00 0.00 57.16 56.80 3ij4 n GLU 239 Cb 0.09 -1.37 -0.04 0.00 -1.01 0.00 0.00 31.44 29.12 3ij4 n GLU 239 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3ij4 s THR 240 N -3.01 5.29 0.07 2.62 -4.23 -1.03 -4.55 115.64 110.79 3ij4 s THR 240 Ca -0.06 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 3ij4 s THR 240 Cb 0.09 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 3ij4 s THR 240 CO 0.64 0.03 -0.06 -0.94 -0.54 0.00 0.00 174.62 173.75 3ij4 s SER 241 N -2.85 0.87 0.00 3.99 1.04 -1.26 -4.55 113.70 110.93 3ij4 s SER 241 Ca 0.34 -0.88 0.25 0.00 0.48 0.00 0.00 55.95 56.14 3ij4 s SER 241 Cb -0.12 0.11 0.81 0.00 0.10 0.00 0.00 66.02 66.92 3ij4 s SER 241 CO 0.28 -0.44 1.60 0.49 0.98 0.00 0.00 173.24 176.15 3ij4 n PHE 242 N 0.40 0.11 -4.82 5.02 3.72 -1.26 -4.95 117.46 115.68 3ij4 n PHE 242 Ca -0.15 -0.05 -0.33 0.00 -0.05 0.00 0.00 57.45 56.86 3ij4 n PHE 242 Cb 0.59 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.01 3ij4 n PHE 242 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3ij4 s GLU 243 N -1.89 2.50 -0.04 -1.08 8.01 -1.26 -5.12 118.70 119.83 3ij4 s GLU 243 Ca 0.35 -0.70 -0.05 0.00 0.01 0.00 0.00 54.97 54.58 3ij4 s GLU 243 Cb 0.20 -2.39 -0.04 0.00 -4.31 0.00 0.00 34.13 27.58 3ij4 s GLU 243 CO 0.30 0.62 0.19 0.00 0.01 0.00 0.00 175.26 176.39 3ij4 s ALA 244 N -0.77 3.90 0.00 5.21 0.00 -1.26 -4.70 121.76 124.15 3ij4 s ALA 244 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3ij4 s ALA 244 Cb -0.11 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.05 3ij4 s ALA 244 CO 0.01 0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.87 3ij4 n GLY 245 N 1.31 0.91 3.09 0.00 0.00 -1.26 -4.61 105.19 104.63 3ij4 n GLY 245 Ca -0.14 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 3ij4 n GLY 245 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ij4 s ILE 246 N -3.24 0.38 -0.11 -0.61 -4.36 -1.07 -2.43 121.20 109.76 3ij4 s ILE 246 Ca 0.00 -1.60 -0.03 0.00 -0.26 0.00 0.00 60.65 58.76 3ij4 s ILE 246 Cb 0.00 -1.23 -0.03 0.00 1.25 0.00 0.00 42.46 42.44 3ij4 s ILE 246 CO 0.00 -0.80 0.02 -0.75 0.24 0.00 0.00 174.94 173.65 3ij4 s LYS 247 N -3.17 3.23 0.05 0.37 2.47 -0.37 -1.68 119.74 120.64 3ij4 s LYS 247 Ca 0.02 -0.38 0.06 0.00 -1.56 0.00 0.00 55.97 54.11 3ij4 s LYS 247 Cb 0.02 -2.90 -0.02 0.00 -1.46 0.00 0.00 37.83 33.46 3ij4 s LYS 247 CO -0.06 0.61 -0.16 0.08 0.16 0.00 0.00 175.35 175.98 3ij4 s VAL 248 N -0.61 1.27 -0.10 4.02 1.01 0.13 -1.60 120.40 124.52 3ij4 s VAL 248 Ca 0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 3ij4 s VAL 248 Cb -0.12 -1.15 0.05 0.00 0.00 0.00 0.00 36.38 35.16 3ij4 s VAL 248 CO 0.02 -0.01 0.22 -1.58 0.00 0.00 0.00 175.10 173.75 3ij4 s GLN 249 N -1.33 0.16 -0.29 2.72 0.74 -0.54 0.52 119.66 121.64 3ij4 s GLN 249 Ca 0.02 0.52 -0.13 0.00 0.05 0.00 0.00 55.36 55.83 3ij4 s GLN 249 Cb -0.09 -0.14 -0.04 0.00 1.10 0.00 0.00 33.01 33.85 3ij4 s GLN 249 CO 0.02 -0.19 0.27 0.42 -0.55 0.00 0.00 175.29 175.25 3ij4 s ILE 250 N 1.47 5.25 0.20 -2.34 1.01 -1.26 -2.18 121.20 123.35 3ij4 s ILE 250 Ca -0.07 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 3ij4 s ILE 250 Cb -0.11 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 3ij4 s ILE 250 CO -0.08 0.16 0.21 -1.38 0.00 0.00 0.00 174.94 173.85 3ij4 s HIS 251 N 1.88 0.89 0.52 3.97 -3.43 -0.82 -4.84 115.29 113.46 3ij4 s HIS 251 Ca 0.10 -1.17 -0.22 0.00 -0.80 0.00 0.00 55.06 52.97 3ij4 s HIS 251 Cb -0.16 -0.35 -0.06 0.00 -1.43 0.00 0.00 32.58 30.58 3ij4 s HIS 251 CO 0.11 -0.71 1.25 -1.12 -2.00 0.00 0.00 174.74 172.27 3ij4 s SER 252 N -3.10 5.64 0.40 7.38 0.01 -1.26 -0.52 113.70 122.25 3ij4 s SER 252 Ca 0.32 2.50 0.11 0.00 1.31 0.00 0.00 55.95 60.19 3ij4 s SER 252 Cb 0.05 -2.62 0.91 0.00 0.21 0.00 0.00 66.02 64.57 3ij4 s SER 252 CO 0.09 -1.30 1.96 1.56 0.41 0.00 0.00 173.24 175.96 3ij4 h GLN 253 N 1.61 0.54 -0.94 12.44 7.50 -1.88 -1.99 115.11 132.40 3ij4 h GLN 253 Ca -0.50 -0.03 -0.55 0.00 0.50 0.00 0.00 58.65 58.07 3ij4 h GLN 253 Cb 1.28 -0.12 -0.29 0.00 0.05 0.00 0.00 27.48 28.39 3ij4 h GLN 253 CO 0.58 0.36 0.62 -0.40 -1.50 0.00 0.00 178.83 178.49 3ij4 n ASP 254 N -4.48 5.06 -3.85 1.46 5.68 -1.26 -4.83 116.55 114.34 3ij4 n ASP 254 Ca 0.11 -3.69 -0.17 0.00 -0.50 0.00 0.00 54.79 50.54 3ij4 n ASP 254 Cb 0.34 -0.85 -0.16 0.00 -1.14 0.00 0.00 41.12 39.30 3ij4 n ASP 254 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3ij4 s GLU 255 N -3.49 0.37 0.72 0.11 -1.05 -0.75 -4.83 118.70 109.78 3ij4 s GLU 255 Ca 0.59 0.02 -0.12 0.00 -0.15 0.00 0.00 54.97 55.31 3ij4 s GLU 255 Cb 0.48 -0.50 0.03 0.00 -0.44 0.00 0.00 34.13 33.70 3ij4 s GLU 255 CO 0.06 -0.09 1.08 -1.25 0.95 0.00 0.00 175.26 176.01 3ij4 s PRO 256 N 0.83 2.59 0.48 -4.83 0.04 -1.26 -4.59 135.00 128.26 3ij4 s PRO 256 Ca -0.09 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 61.92 3ij4 s PRO 256 Cb -0.12 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3ij4 s PRO 256 CO -0.01 -1.39 0.99 -1.25 0.04 0.00 0.00 177.00 175.38 3ij4 s PRO 257 N -4.74 3.94 -0.44 0.56 0.04 -1.26 -4.82 135.00 128.29 3ij4 s PRO 257 Ca 0.62 1.15 0.10 0.00 0.04 0.00 0.00 61.00 62.90 3ij4 s PRO 257 Cb -0.17 -2.13 0.39 0.00 0.04 0.00 0.00 34.50 32.63 3ij4 s PRO 257 CO 0.52 -0.28 0.95 -0.11 0.04 0.00 0.00 177.00 178.11 3ij4 n LEU 258 N -1.12 3.05 0.24 -3.56 7.94 -1.26 -4.98 117.00 117.30 3ij4 n LEU 258 Ca 0.08 -4.96 0.08 0.00 -1.11 0.00 0.00 56.01 50.10 3ij4 n LEU 258 Cb 0.53 -0.02 0.58 0.00 0.53 0.00 0.00 43.42 45.05 3ij4 n LEU 258 CO 0.41 2.13 0.92 -0.29 -1.11 0.00 0.00 177.39 179.45 3ij4 h ILE 259 N 2.43 0.92 -0.86 1.96 2.10 -1.94 0.13 117.51 122.26 3ij4 h ILE 259 Ca 0.12 -0.62 0.07 0.00 1.08 0.00 0.00 64.86 65.50 3ij4 h ILE 259 Cb 0.88 1.36 -0.06 0.00 -1.09 0.00 0.00 36.82 37.90 3ij4 h ILE 259 CO 0.68 0.17 0.53 -0.78 -1.08 0.00 0.00 178.15 177.67 3ij4 h ASP 260 N 0.00 0.83 0.01 2.19 3.58 -1.95 -2.81 116.42 118.26 3ij4 h ASP 260 Ca -0.00 0.02 -0.40 0.00 0.42 0.00 0.00 57.03 57.07 3ij4 h ASP 260 Cb 0.34 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 3ij4 h ASP 260 CO 0.02 0.52 -2.23 0.00 -2.88 0.00 0.00 179.24 174.68 3ij4 n GLN 261 N -4.63 0.61 0.01 0.28 1.13 -0.38 -4.71 117.38 109.68 3ij4 n GLN 261 Ca 0.13 0.31 0.11 0.00 -1.94 0.00 0.00 57.00 55.61 3ij4 n GLN 261 Cb 0.19 -1.57 -0.11 0.00 0.11 0.00 0.00 30.24 28.86 3ij4 n GLN 261 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3ij4 n LEU 262 N -4.07 0.44 -4.77 1.08 4.32 -0.11 -5.02 117.00 108.87 3ij4 n LEU 262 Ca -0.47 -0.13 -0.30 0.00 -0.02 0.00 0.00 56.01 55.09 3ij4 n LEU 262 Cb 0.87 -0.02 0.11 0.00 -1.62 0.00 0.00 43.42 42.76 3ij4 n LEU 262 CO 0.13 0.07 0.69 -0.83 -1.22 0.00 0.00 177.39 176.23 3ij4 s GLY 263 N -3.92 1.63 0.16 -0.72 0.00 -1.06 -4.98 107.32 98.42 3ij4 s GLY 263 Ca -0.01 -0.12 0.06 0.00 0.00 0.00 0.00 44.72 44.66 3ij4 s GLY 263 CO 0.87 0.32 0.02 -0.11 0.00 0.00 0.00 173.10 174.20 3ij4 s PHE 264 N -3.06 2.92 0.26 1.90 -0.12 0.19 -4.88 117.98 115.19 3ij4 s PHE 264 Ca 0.62 -0.10 -0.09 0.00 -0.05 0.00 0.00 56.93 57.31 3ij4 s PHE 264 Cb -0.16 -1.43 -0.07 0.00 -0.63 0.00 0.00 43.02 40.73 3ij4 s PHE 264 CO 0.55 0.51 0.58 0.20 -0.05 0.00 0.00 175.22 177.01 3ij4 s GLY 265 N -2.84 2.14 -0.10 1.99 0.00 -1.26 0.21 107.32 107.47 3ij4 s GLY 265 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.66 3ij4 s GLY 265 CO 0.19 -0.20 -0.08 0.14 0.00 0.00 0.00 173.10 173.16 3ij4 s VAL 266 N -1.94 0.98 0.21 1.40 1.01 -0.67 -4.92 120.40 116.47 3ij4 s VAL 266 Ca 0.47 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 3ij4 s VAL 266 Cb -0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 3ij4 s VAL 266 CO 0.24 0.35 0.73 0.00 0.00 0.00 0.00 175.10 176.43 3ij4 s ALA 267 N 1.46 3.42 0.41 5.51 0.00 -1.26 -2.61 121.76 128.69 3ij4 s ALA 267 Ca -0.00 0.19 -0.24 0.00 0.00 0.00 0.00 51.96 51.92 3ij4 s ALA 267 Cb -0.13 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 3ij4 s ALA 267 CO -0.05 0.32 1.08 -1.25 0.00 0.00 0.00 175.76 175.86 3ij4 s PRO 268 N -1.85 4.07 0.00 0.00 0.04 -1.26 -3.66 135.00 132.34 3ij4 s PRO 268 Ca 0.42 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.04 3ij4 s PRO 268 Cb -0.18 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3ij4 s PRO 268 CO 0.22 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.43 3ij4 n GLY 269 N 0.37 0.74 3.13 0.56 0.00 0.23 -4.91 105.19 105.31 3ij4 n GLY 269 Ca 0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 3ij4 n GLY 269 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ij4 s PHE 270 N -2.00 0.30 -0.25 1.61 0.08 -1.24 -2.84 117.98 113.63 3ij4 s PHE 270 Ca 0.00 -0.74 -0.09 0.00 0.12 0.00 0.00 56.93 56.22 3ij4 s PHE 270 Cb 0.00 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.20 3ij4 s PHE 270 CO 0.00 -0.43 0.14 -1.14 -0.10 0.00 0.00 175.22 173.69 3ij4 s GLN 271 N -3.48 3.88 -0.22 0.44 0.74 0.14 -1.93 119.66 119.22 3ij4 s GLN 271 Ca 0.03 -0.36 -0.05 0.00 0.05 0.00 0.00 55.36 55.03 3ij4 s GLN 271 Cb 0.04 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 3ij4 s GLN 271 CO -0.09 -0.09 -0.01 0.99 -0.55 0.00 0.00 175.29 175.54 3ij4 s THR 272 N 1.45 3.66 -0.20 -0.34 2.01 0.32 -1.12 115.64 121.42 3ij4 s THR 272 Ca 0.06 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 3ij4 s THR 272 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 3ij4 s THR 272 CO 0.07 0.41 0.37 -0.36 -0.69 0.00 0.00 174.62 174.41 3ij4 s PHE 273 N 1.44 3.38 -0.43 4.92 0.08 0.78 -0.84 117.98 127.30 3ij4 s PHE 273 Ca 0.05 0.58 0.03 0.00 0.12 0.00 0.00 56.93 57.71 3ij4 s PHE 273 Cb -0.14 -2.49 0.12 0.00 -0.57 0.00 0.00 43.02 39.93 3ij4 s PHE 273 CO -0.01 0.01 0.16 0.08 -0.10 0.00 0.00 175.22 175.37 3ij4 s VAL 274 N 1.23 2.58 -0.12 -0.44 1.01 0.16 -1.47 120.40 123.36 3ij4 s VAL 274 Ca 0.18 -2.70 -0.28 0.00 0.00 0.00 0.00 61.98 59.18 3ij4 s VAL 274 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3ij4 s VAL 274 CO 0.07 -0.70 0.93 -0.55 0.00 0.00 0.00 175.10 174.86 3ij4 s SER 275 N 0.56 7.14 0.36 3.32 0.15 -0.79 -2.10 113.70 122.35 3ij4 s SER 275 Ca 0.13 1.40 0.09 0.00 0.70 0.00 0.00 55.95 58.27 3ij4 s SER 275 Cb -0.22 -2.51 -0.07 0.00 -1.71 0.00 0.00 66.02 61.51 3ij4 s SER 275 CO -0.05 -0.40 -0.06 0.00 1.20 0.00 0.00 173.24 173.94 3ij4 s GLN 277 N -3.64 0.35 -0.15 0.00 0.74 -0.70 -1.79 119.66 114.46 3ij4 s GLN 277 Ca 0.33 0.90 -0.26 0.00 0.05 0.00 0.00 55.36 56.39 3ij4 s GLN 277 Cb 0.05 0.14 -0.02 0.00 1.10 0.00 0.00 33.01 34.28 3ij4 s GLN 277 CO 0.17 -0.21 0.85 -2.00 -0.55 0.00 0.00 175.29 173.55 3ij4 s GLU 278 N 2.01 4.32 -0.26 1.67 2.12 0.72 -1.93 118.70 127.36 3ij4 s GLU 278 Ca -0.05 1.06 -0.02 0.00 0.36 0.00 0.00 54.97 56.31 3ij4 s GLU 278 Cb -0.10 -3.56 0.03 0.00 0.26 0.00 0.00 34.13 30.75 3ij4 s GLU 278 CO -0.13 -0.30 -0.04 -0.65 -0.54 0.00 0.00 175.26 173.61 3ij4 s GLN 279 N 2.03 2.81 -0.32 4.30 -0.21 0.32 0.15 119.66 128.74 3ij4 s GLN 279 Ca 0.40 -1.01 -0.16 0.00 0.02 0.00 0.00 55.36 54.61 3ij4 s GLN 279 Cb -0.17 -3.06 -0.02 0.00 1.00 0.00 0.00 33.01 30.76 3ij4 s GLN 279 CO 0.14 -0.44 0.42 0.50 -2.12 0.00 0.00 175.29 173.79 3ij4 s ARG 280 N 1.33 3.76 -0.27 2.91 6.06 0.23 -0.74 118.95 132.23 3ij4 s ARG 280 Ca -0.00 -0.14 -0.05 0.00 -2.50 0.00 0.00 55.73 53.04 3ij4 s ARG 280 Cb -0.17 -3.75 0.01 0.00 0.06 0.00 0.00 34.95 31.10 3ij4 s ARG 280 CO -0.03 -0.47 0.02 -0.51 -2.50 0.00 0.00 175.30 171.81 3ij4 s LEU 281 N 2.17 3.53 -0.12 -0.88 1.43 0.21 0.59 118.68 125.62 3ij4 s LEU 281 Ca 0.16 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3ij4 s LEU 281 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3ij4 s LEU 281 CO 0.11 -0.15 -0.08 -0.63 0.23 0.00 0.00 176.35 175.83 3ij4 s ILE 282 N 1.43 3.52 0.43 -0.59 1.01 -0.54 -1.18 121.20 125.29 3ij4 s ILE 282 Ca 0.02 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.22 3ij4 s ILE 282 Cb -0.17 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.75 3ij4 s ILE 282 CO -0.00 0.53 0.08 -0.31 0.00 0.00 0.00 174.94 175.24 3ij4 s TYR 283 N 0.05 2.41 -0.15 3.97 2.02 -0.69 -2.15 117.35 122.81 3ij4 s TYR 283 Ca -0.02 -0.69 -0.07 0.00 -0.37 0.00 0.00 57.07 55.92 3ij4 s TYR 283 Cb -0.14 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3ij4 s TYR 283 CO 0.03 0.29 0.09 -0.51 -1.57 0.00 0.00 175.55 173.88 3ij4 s LEU 284 N -3.83 4.01 1.17 -1.29 1.43 -1.26 -4.90 118.68 114.01 3ij4 s LEU 284 Ca 0.33 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.51 3ij4 s LEU 284 Cb 0.06 -1.99 0.25 0.00 0.03 0.00 0.00 46.19 44.54 3ij4 s LEU 284 CO 0.17 0.27 0.79 -2.65 0.23 0.00 0.00 176.35 175.16 3ij4 n PRO 285 N 2.89 -2.28 0.00 1.29 -0.02 -1.26 -2.92 135.00 132.70 3ij4 n PRO 285 Ca -0.18 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 3ij4 n PRO 285 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3ij4 n PRO 285 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ij4 n PRO 286 N -4.31 0.00 0.04 0.52 -0.02 -0.95 -2.28 135.00 128.00 3ij4 n PRO 286 Ca 0.02 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 3ij4 n PRO 286 Cb 0.56 0.00 0.47 0.00 -0.02 0.00 0.00 33.50 34.51 3ij4 n PRO 286 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ij4 h PRO 287 N 0.00 0.43 0.02 0.52 0.11 -2.01 -3.21 132.00 127.87 3ij4 h PRO 287 Ca 0.00 -0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.70 3ij4 h PRO 287 Cb 0.00 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 30.95 3ij4 h PRO 287 CO 0.00 0.28 -2.35 0.91 -0.21 0.00 0.00 178.00 176.63 3ij4 n TRP 288 N -4.49 0.28 -3.93 0.65 8.01 -0.97 -4.89 117.44 112.11 3ij4 n TRP 288 Ca 0.03 0.06 -0.09 0.00 -1.31 0.00 0.00 57.50 56.19 3ij4 n TRP 288 Cb 0.09 -1.04 -0.08 0.00 -2.01 0.00 0.00 31.31 28.28 3ij4 n TRP 288 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3ij4 s GLY 289 N -6.19 0.31 -1.09 6.99 0.00 -1.12 -4.98 107.32 101.24 3ij4 s GLY 289 Ca -0.29 -0.81 -0.10 0.00 0.00 0.00 0.00 44.72 43.52 3ij4 s GLY 289 CO 0.66 -0.90 1.10 0.51 0.00 0.00 0.00 173.10 174.47 3ij4 s ASP 290 N -2.91 7.27 0.11 1.64 1.47 -1.26 -2.23 116.67 120.76 3ij4 s ASP 290 Ca 0.10 -3.50 0.02 0.00 1.18 0.00 0.00 52.55 50.35 3ij4 s ASP 290 Cb 0.05 -2.22 -0.04 0.00 -0.34 0.00 0.00 42.92 40.37 3ij4 s ASP 290 CO -0.07 -0.33 0.22 0.00 0.68 0.00 0.00 175.17 175.67 3ij4 s LYS 292 N -2.83 3.68 0.29 0.00 2.20 0.12 -4.60 119.74 118.60 3ij4 s LYS 292 Ca 0.34 0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.72 3ij4 s LYS 292 Cb -0.12 -3.02 -0.13 0.00 -1.51 0.00 0.00 37.83 33.05 3ij4 s LYS 292 CO 0.27 0.59 1.18 0.00 -0.36 0.00 0.00 175.35 177.03 3ij4 n ALA 293 N 0.94 0.48 0.09 3.13 0.00 -1.26 -1.46 120.51 122.43 3ij4 n ALA 293 Ca -0.09 0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 3ij4 n ALA 293 Cb 0.52 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.75 3ij4 n ALA 293 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3ij4 h THR 294 N 2.39 0.91 -0.54 0.00 1.35 -1.94 -3.39 112.91 111.68 3ij4 h THR 294 Ca -0.43 -0.80 -0.37 0.00 -0.55 0.00 0.00 66.41 64.26 3ij4 h THR 294 Cb 1.31 1.37 -0.05 0.00 -1.73 0.00 0.00 68.15 69.05 3ij4 h THR 294 CO 0.64 0.17 1.16 0.28 -0.25 0.00 0.00 175.52 177.53 3ij4 s THR 295 N -4.42 3.60 0.00 6.82 -1.32 -1.26 -3.82 115.64 115.24 3ij4 s THR 295 Ca -0.14 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 3ij4 s THR 295 Cb 0.02 -4.59 0.00 0.00 -1.51 0.00 0.00 72.50 66.42 3ij4 s THR 295 CO 0.57 -1.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.48 3ij4 n GLY 296 N 5.89 -0.63 2.67 6.08 0.00 -1.26 -4.97 105.19 112.97 3ij4 n GLY 296 Ca 0.45 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3ij4 n GLY 296 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ij4 s ASP 297 N -4.00 3.44 -0.22 1.61 3.68 -1.26 -4.60 116.67 115.32 3ij4 s ASP 297 Ca 0.00 -1.22 -0.04 0.00 2.13 0.00 0.00 52.55 53.42 3ij4 s ASP 297 Cb 0.00 -0.60 0.07 0.00 -1.45 0.00 0.00 42.92 40.94 3ij4 s ASP 297 CO 0.00 -0.38 0.09 -0.44 0.13 0.00 0.00 175.17 174.56 3ij4 s SER 298 N 1.86 2.90 1.35 -0.34 0.01 -1.26 -5.06 113.70 113.16 3ij4 s SER 298 Ca 0.06 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.41 3ij4 s SER 298 Cb -0.17 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.65 3ij4 s SER 298 CO -0.22 -0.36 0.00 -0.62 0.41 0.00 0.00 173.24 172.44 3ij4 n GLU 299 N 5.18 0.00 0.29 12.44 -0.58 -1.26 -3.75 120.64 132.95 3ij4 n GLU 299 Ca -0.07 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.84 3ij4 n GLU 299 Cb 0.46 0.00 0.83 0.00 -0.57 0.00 0.00 31.44 32.17 3ij4 n GLU 299 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3ij4 h PHE 300 N 0.00 0.00 -3.79 -0.32 0.04 -1.95 -3.42 116.94 107.51 3ij4 h PHE 300 Ca 0.00 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.09 3ij4 h PHE 300 Cb 0.00 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 37.96 3ij4 h PHE 300 CO 0.00 0.06 -0.77 0.71 -0.60 0.00 0.00 178.31 177.71 3ij4 s TYR 301 N -4.02 2.68 -0.41 -0.55 1.51 -1.25 -4.99 117.35 110.32 3ij4 s TYR 301 Ca -0.02 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 3ij4 s TYR 301 Cb 0.12 -1.49 0.51 0.00 -0.11 0.00 0.00 41.96 40.99 3ij4 s TYR 301 CO 0.53 0.32 1.82 -0.40 -1.11 0.00 0.00 175.55 176.71 3ij4 n ASP 302 N 1.37 4.42 -3.70 2.29 5.75 -1.26 -4.33 116.55 121.09 3ij4 n ASP 302 Ca -0.15 -3.38 -0.11 0.00 -0.01 0.00 0.00 54.79 51.13 3ij4 n ASP 302 Cb 0.52 -0.83 -0.12 0.00 -1.03 0.00 0.00 41.12 39.66 3ij4 n ASP 302 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3ij4 s THR 303 N -3.00 -0.11 -0.15 2.12 2.01 -1.26 -4.56 115.64 110.69 3ij4 s THR 303 Ca 0.49 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 3ij4 s THR 303 Cb 0.40 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.40 3ij4 s THR 303 CO 0.07 0.06 0.96 -0.47 -0.69 0.00 0.00 174.62 174.55 3ij4 s TYR 304 N 1.52 3.45 0.15 4.92 5.04 -1.25 -4.88 117.35 126.30 3ij4 s TYR 304 Ca -0.08 1.47 -0.07 0.00 -2.44 0.00 0.00 57.07 55.95 3ij4 s TYR 304 Cb -0.10 -3.15 -0.01 0.00 0.35 0.00 0.00 41.96 39.04 3ij4 s TYR 304 CO -0.11 -0.28 0.23 -1.54 -1.34 0.00 0.00 175.55 172.51 3ij4 s SER 305 N 1.14 0.10 0.18 4.32 1.04 -1.26 -4.89 113.70 114.32 3ij4 s SER 305 Ca 0.44 -0.93 -0.13 0.00 0.48 0.00 0.00 55.95 55.82 3ij4 s SER 305 Cb -0.17 0.40 0.13 0.00 0.10 0.00 0.00 66.02 66.48 3ij4 s SER 305 CO 0.14 -0.85 1.79 0.40 0.98 0.00 0.00 173.24 175.70 3ij4 h ILE 306 N 2.62 0.97 -0.35 -1.02 2.04 -1.96 -1.24 117.51 118.58 3ij4 h ILE 306 Ca -0.32 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 3ij4 h ILE 306 Cb 1.22 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3ij4 h ILE 306 CO 0.51 0.09 0.08 0.74 0.00 0.00 0.00 178.15 179.57 3ij4 h THR 307 N 0.52 1.23 -0.61 -0.27 2.02 -1.97 -1.91 112.91 111.91 3ij4 h THR 307 Ca 0.22 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.64 3ij4 h THR 307 Cb 0.11 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3ij4 h THR 307 CO -0.14 0.26 0.39 0.00 0.37 0.00 0.00 175.52 176.40 3ij4 h ALA 308 N 0.92 0.78 -0.70 6.16 0.00 -1.83 -1.87 119.26 122.71 3ij4 h ALA 308 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ij4 h ALA 308 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ij4 h ALA 308 CO 0.00 0.18 0.43 0.00 0.00 0.00 0.00 179.25 179.86 3ij4 h ARG 310 N 0.96 0.12 -0.54 0.00 3.08 -0.87 -3.13 114.38 114.00 3ij4 h ARG 310 Ca 0.25 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3ij4 h ARG 310 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3ij4 h ARG 310 CO -0.05 0.47 0.06 0.82 -1.07 0.00 0.00 179.97 180.19 3ij4 h ILE 311 N -0.24 1.24 -0.39 2.04 2.04 -1.26 -1.78 117.51 119.17 3ij4 h ILE 311 Ca 0.01 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 64.96 3ij4 h ILE 311 Cb 0.43 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 3ij4 h ILE 311 CO 0.01 0.35 -0.54 0.44 0.00 0.00 0.00 178.15 178.41 3ij4 h ASP 312 N 0.82 -1.80 0.28 1.72 3.32 -1.00 -1.13 116.42 118.63 3ij4 h ASP 312 Ca 0.17 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3ij4 h ASP 312 Cb 0.41 0.74 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3ij4 h ASP 312 CO 0.01 -0.41 -0.28 0.00 -1.72 0.00 0.00 179.24 176.85 3ij4 h GLU 314 N 1.02 0.48 0.28 0.00 5.08 -0.95 -1.29 114.58 119.19 3ij4 h GLU 314 Ca 0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3ij4 h GLU 314 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3ij4 h GLU 314 CO 0.00 0.81 -0.13 1.15 -1.00 0.00 0.00 179.01 179.84 3ij4 h THR 315 N 0.39 0.72 -0.53 1.13 2.02 -1.06 -2.61 112.91 112.97 3ij4 h THR 315 Ca 0.03 -0.71 0.11 0.00 0.77 0.00 0.00 66.41 66.61 3ij4 h THR 315 Cb 0.90 1.07 -0.09 0.00 -1.74 0.00 0.00 68.15 68.29 3ij4 h THR 315 CO 0.08 0.14 -0.05 0.03 0.37 0.00 0.00 175.52 176.08 3ij4 h ARG 316 N -0.78 0.07 -0.14 6.66 3.08 -1.53 -1.23 114.38 120.50 3ij4 h ARG 316 Ca -0.04 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3ij4 h ARG 316 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3ij4 h ARG 316 CO 0.06 0.04 0.06 -0.92 -1.07 0.00 0.00 179.97 178.15 3ij4 h TYR 317 N 0.07 0.11 -0.44 3.04 3.20 -1.28 0.10 116.97 121.78 3ij4 h TYR 317 Ca 0.27 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.05 3ij4 h TYR 317 Cb 0.42 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3ij4 h TYR 317 CO -0.37 0.06 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.02 3ij4 h LEU 318 N 0.14 0.78 -0.23 2.82 4.07 -1.08 -2.15 115.31 119.65 3ij4 h LEU 318 Ca 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 3ij4 h LEU 318 Cb 0.02 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 3ij4 h LEU 318 CO -0.05 0.92 0.07 0.58 -1.08 0.00 0.00 178.44 178.88 3ij4 h VAL 319 N 0.72 1.19 0.00 1.22 2.07 -1.00 0.80 116.25 121.25 3ij4 h VAL 319 Ca 0.12 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3ij4 h VAL 319 Cb 0.60 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3ij4 h VAL 319 CO 0.04 0.19 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 3ij4 n GLU 320 N -4.77 0.77 0.00 1.57 4.71 0.34 -2.19 120.64 121.07 3ij4 n GLU 320 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 3ij4 n GLU 320 Cb 0.15 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 3ij4 n GLU 320 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3ij4 n ASN 321 N -0.70 0.95 -0.00 1.62 3.02 -0.83 -4.87 115.26 114.44 3ij4 n ASN 321 Ca 0.08 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.65 3ij4 n ASN 321 Cb 0.03 0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 3ij4 n ASN 321 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ij4 n ASN 323 N -1.11 -5.76 -3.63 0.00 5.15 -0.93 -4.96 115.26 104.01 3ij4 n ASN 323 Ca 0.01 -0.53 -0.13 0.00 -0.60 0.00 0.00 54.58 53.33 3ij4 n ASN 323 Cb 0.07 -4.87 -0.07 0.00 -0.53 0.00 0.00 39.78 34.38 3ij4 n ASN 323 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ij4 s ARG 325 N 0.44 1.64 0.88 0.00 1.70 -0.57 -2.67 118.95 120.37 3ij4 s ARG 325 Ca -0.00 -1.22 -0.12 0.00 -0.47 0.00 0.00 55.73 53.92 3ij4 s ARG 325 Cb -0.05 -1.98 0.12 0.00 -0.57 0.00 0.00 34.95 32.48 3ij4 s ARG 325 CO -0.01 0.48 1.13 -1.64 -1.08 0.00 0.00 175.30 174.18 3ij4 s MET 326 N -1.73 1.36 0.24 3.89 -1.94 -1.26 0.22 119.30 120.08 3ij4 s MET 326 Ca 0.14 0.37 -0.06 0.00 -1.71 0.00 0.00 55.69 54.43 3ij4 s MET 326 Cb -0.10 -1.86 0.24 0.00 2.01 0.00 0.00 34.83 35.13 3ij4 s MET 326 CO 0.05 -2.06 1.86 0.28 -0.01 0.00 0.00 175.02 175.14 3ij4 h VAL 327 N -1.40 1.25 -0.00 -6.03 2.07 -1.93 -2.98 116.25 107.24 3ij4 h VAL 327 Ca -0.50 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3ij4 h VAL 327 Cb 1.32 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3ij4 h VAL 327 CO 0.61 0.29 -0.07 0.00 0.02 0.00 0.00 177.57 178.42 3ij4 n HIS 328 N -4.33 0.00 -3.08 1.57 -0.00 -1.26 -4.88 115.22 103.23 3ij4 n HIS 328 Ca 0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.45 3ij4 n HIS 328 Cb 0.10 -0.42 -0.06 0.00 -0.00 0.00 0.00 29.99 29.61 3ij4 n HIS 328 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3ij4 s MET 329 N -2.92 4.26 0.72 -1.40 1.00 -1.13 -4.88 119.30 114.96 3ij4 s MET 329 Ca 0.16 0.89 -0.09 0.00 0.00 0.00 0.00 55.69 56.65 3ij4 s MET 329 Cb 0.19 -2.86 0.16 0.00 0.00 0.00 0.00 34.83 32.32 3ij4 s MET 329 CO 0.54 0.38 0.99 -0.35 0.00 0.00 0.00 175.02 176.58 3ij4 n PRO 330 N 0.69 -0.70 0.00 2.03 -0.04 -1.26 -4.90 135.00 130.81 3ij4 n PRO 330 Ca -0.02 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 3ij4 n PRO 330 Cb 0.51 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 3ij4 n PRO 330 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ij4 n GLY 331 N -1.74 -0.21 0.00 0.55 0.00 -1.26 -4.82 105.19 97.71 3ij4 n GLY 331 Ca 0.13 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3ij4 n GLY 331 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ij4 n ASP 332 N 0.00 0.00 -4.68 1.61 5.68 -1.26 -5.11 116.55 112.79 3ij4 n ASP 332 Ca 0.00 -1.00 -0.31 0.00 -0.50 0.00 0.00 54.79 52.98 3ij4 n ASP 332 Cb 0.00 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.14 3ij4 n ASP 332 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ij4 s ALA 333 N 0.00 1.42 0.35 2.12 0.00 -1.26 -4.95 121.76 119.43 3ij4 s ALA 333 Ca 0.00 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 3ij4 s ALA 333 Cb 0.00 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 3ij4 s ALA 333 CO 0.00 -2.63 1.31 -1.25 0.00 0.00 0.00 175.76 173.19 3ij4 s PRO 334 N -4.72 4.28 0.42 0.00 0.04 -1.26 -4.75 135.00 129.01 3ij4 s PRO 334 Ca 0.65 2.21 -0.26 0.00 0.04 0.00 0.00 61.00 63.64 3ij4 s PRO 334 Cb -0.21 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.23 3ij4 s PRO 334 CO 0.58 -0.25 1.34 0.71 0.04 0.00 0.00 177.00 179.42 3ij4 s TYR 335 N -1.17 2.73 0.21 0.56 2.02 -1.26 -1.51 117.35 118.93 3ij4 s TYR 335 Ca 0.50 1.37 -0.31 0.00 -0.37 0.00 0.00 57.07 58.27 3ij4 s TYR 335 Cb -0.39 -3.74 -0.10 0.00 -0.40 0.00 0.00 41.96 37.33 3ij4 s TYR 335 CO 0.52 -2.31 1.48 0.00 -1.57 0.00 0.00 175.55 173.68 3ij4 s THR 337 N 0.44 4.28 0.33 0.00 -4.23 -1.26 -4.46 115.64 110.75 3ij4 s THR 337 Ca 0.63 1.58 0.09 0.00 -1.18 0.00 0.00 61.69 62.81 3ij4 s THR 337 Cb -0.42 -3.73 0.37 0.00 1.34 0.00 0.00 72.50 70.06 3ij4 s THR 337 CO 0.39 -0.16 1.59 -0.65 -0.54 0.00 0.00 174.62 175.25 3ij4 h PRO 338 N 2.32 0.06 -0.64 3.99 0.11 -1.95 0.44 132.00 136.33 3ij4 h PRO 338 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ij4 h PRO 338 Cb 1.19 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3ij4 h PRO 338 CO 0.62 0.04 0.38 0.93 -0.21 0.00 0.00 178.00 179.76 3ij4 h GLU 339 N 0.06 0.87 -0.36 1.05 3.07 -1.93 -2.14 114.58 115.21 3ij4 h GLU 339 Ca 0.69 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 59.37 3ij4 h GLU 339 Cb 1.59 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 29.30 3ij4 h GLU 339 CO -0.81 0.64 -0.15 1.96 -1.40 0.00 0.00 179.01 179.25 3ij4 h GLN 340 N 0.87 0.65 0.15 2.33 4.20 -0.58 -1.62 115.11 121.10 3ij4 h GLN 340 Ca 0.23 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3ij4 h GLN 340 Cb -0.01 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3ij4 h GLN 340 CO -0.04 0.77 -0.23 1.88 -0.67 0.00 0.00 178.83 180.54 3ij4 h TYR 341 N 0.58 -0.60 -0.19 2.96 -1.99 -0.72 0.21 116.97 117.22 3ij4 h TYR 341 Ca 0.10 0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.72 3ij4 h TYR 341 Cb 0.59 0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 3ij4 h TYR 341 CO 0.03 -0.33 -0.39 0.87 -0.00 0.00 0.00 178.16 178.34 3ij4 h LYS 342 N -0.44 0.43 0.11 4.88 1.57 -1.29 -1.25 116.57 120.58 3ij4 h LYS 342 Ca 0.02 -0.21 -0.35 0.00 -1.87 0.00 0.00 60.65 58.24 3ij4 h LYS 342 Cb 0.45 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3ij4 h LYS 342 CO -0.11 0.76 -1.92 1.49 -0.57 0.00 0.00 179.45 179.10 3ij4 h GLU 343 N 0.36 0.23 0.00 3.15 4.57 -1.30 -3.45 114.58 118.14 3ij4 h GLU 343 Ca 0.04 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3ij4 h GLU 343 Cb 0.84 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3ij4 h GLU 343 CO 0.07 1.10 -0.10 0.00 -1.18 0.00 0.00 179.01 178.90 3ij4 h ALA 345 N 0.00 0.76 0.61 0.00 0.00 -0.79 -1.66 119.26 118.18 3ij4 h ALA 345 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3ij4 h ALA 345 Cb 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ij4 h ALA 345 CO 0.00 0.44 -0.29 -0.44 0.00 0.00 0.00 179.25 178.96 3ij4 h ASP 346 N 0.82 -0.70 -0.85 0.00 3.32 -1.46 -2.35 116.42 115.21 3ij4 h ASP 346 Ca 0.18 0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.44 3ij4 h ASP 346 Cb 0.31 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 3ij4 h ASP 346 CO -0.00 -0.47 0.56 1.55 -1.72 0.00 0.00 179.24 179.16 3ij4 h PRO 347 N -0.89 0.41 0.01 3.56 0.13 -1.79 0.44 132.00 133.87 3ij4 h PRO 347 Ca -0.08 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3ij4 h PRO 347 Cb 0.63 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3ij4 h PRO 347 CO 0.14 0.27 -0.01 0.00 -0.23 0.00 0.00 178.00 178.17 3ij4 h ALA 348 N 1.62 -0.01 -0.00 -0.56 0.00 -1.29 0.32 119.26 119.34 3ij4 h ALA 348 Ca 0.43 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.12 3ij4 h ALA 348 Cb 1.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ij4 h ALA 348 CO -0.16 -0.49 -0.87 1.25 0.00 0.00 0.00 179.25 178.98 3ij4 h LEU 349 N -0.06 0.32 -1.46 0.00 5.85 -0.78 -2.68 115.31 116.51 3ij4 h LEU 349 Ca -0.00 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3ij4 h LEU 349 Cb 0.05 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3ij4 h LEU 349 CO 0.00 1.05 0.38 0.44 -0.34 0.00 0.00 178.44 179.97 3ij4 h ASP 350 N 0.14 0.63 -0.27 1.25 5.19 -0.09 -1.21 116.42 122.06 3ij4 h ASP 350 Ca -0.05 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 3ij4 h ASP 350 Cb 1.50 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 3ij4 h ASP 350 CO 0.14 0.44 0.01 0.15 -3.12 0.00 0.00 179.24 176.86 3ij4 h PHE 351 N 0.73 0.50 -0.67 4.55 3.57 -0.74 -2.75 116.94 122.13 3ij4 h PHE 351 Ca 0.22 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 3ij4 h PHE 351 Cb -0.01 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3ij4 h PHE 351 CO -0.00 0.60 0.10 -0.07 -2.23 0.00 0.00 178.31 176.71 3ij4 h LEU 352 N 0.25 1.08 0.00 0.59 3.38 -1.12 0.23 115.31 119.72 3ij4 h LEU 352 Ca 0.08 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3ij4 h LEU 352 Cb 0.40 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ij4 h LEU 352 CO 0.01 1.07 -0.47 1.33 0.09 0.00 0.00 178.44 180.47 3ij4 n VAL 353 N -4.21 0.13 0.00 1.22 0.24 -0.50 -4.29 118.33 110.93 3ij4 n VAL 353 Ca 0.04 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3ij4 n VAL 353 Cb 0.30 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 3ij4 n VAL 353 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3ij4 n GLU 354 N -1.73 0.00 -0.03 7.34 0.28 -1.04 -4.96 120.64 120.51 3ij4 n GLU 354 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.83 3ij4 n GLU 354 Cb 0.37 -0.55 -0.13 0.00 1.43 0.00 0.00 31.44 32.56 3ij4 n GLU 354 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3ij4 h LYS 355 N 0.00 0.18 -6.32 3.44 1.57 -1.30 -3.48 116.57 110.66 3ij4 h LYS 355 Ca 0.00 -0.31 -0.64 0.00 -1.87 0.00 0.00 60.65 57.84 3ij4 h LYS 355 Cb 0.92 0.11 0.04 0.00 0.08 0.00 0.00 32.23 33.38 3ij4 h LYS 355 CO 0.00 1.15 0.85 -3.47 -0.57 0.00 0.00 179.45 177.41 3ij4 n ASP 356 N -3.88 2.83 -0.37 0.86 2.03 -0.08 -4.89 116.55 113.05 3ij4 n ASP 356 Ca -0.30 1.05 0.05 0.00 0.52 0.00 0.00 54.79 56.11 3ij4 n ASP 356 Cb 0.90 -1.32 0.03 0.00 -0.72 0.00 0.00 41.12 40.02 3ij4 n ASP 356 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3ij4 n ASN 357 N 4.66 1.69 0.02 1.67 3.02 -1.26 -4.88 115.26 120.18 3ij4 n ASN 357 Ca 0.21 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3ij4 n ASN 357 Cb 0.24 0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 3ij4 n ASN 357 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3ij4 n GLU 358 N 0.35 0.00 0.18 3.52 2.13 -1.26 -4.98 120.64 120.57 3ij4 n GLU 358 Ca 0.06 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.77 3ij4 n GLU 358 Cb 0.25 -0.16 -0.06 0.00 0.27 0.00 0.00 31.44 31.74 3ij4 n GLU 358 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3ij4 h TYR 359 N 0.00 -0.47 -3.25 4.31 5.03 -1.99 -3.38 116.97 117.22 3ij4 h TYR 359 Ca 0.00 -0.01 -0.74 0.00 2.58 0.00 0.00 58.73 60.56 3ij4 h TYR 359 Cb 0.27 0.16 -0.33 0.00 1.55 0.00 0.00 36.73 38.38 3ij4 h TYR 359 CO 0.00 -0.17 0.14 0.00 -1.32 0.00 0.00 178.16 176.81 3ij4 s VAL 361 N -1.62 3.74 0.10 0.00 -7.23 -1.26 -5.00 120.40 109.13 3ij4 s VAL 361 Ca 0.30 -0.68 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 3ij4 s VAL 361 Cb -0.05 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 3ij4 s VAL 361 CO -0.08 0.44 -0.14 0.00 -0.31 0.00 0.00 175.10 175.01 3ij4 s GLU 363 N -2.04 3.56 0.16 0.00 2.02 -1.26 -5.04 118.70 116.09 3ij4 s GLU 363 Ca 0.19 0.57 -0.30 0.00 0.02 0.00 0.00 54.97 55.44 3ij4 s GLU 363 Cb -0.11 -2.17 -0.08 0.00 0.10 0.00 0.00 34.13 31.87 3ij4 s GLU 363 CO 0.11 -0.47 1.27 -1.64 0.02 0.00 0.00 175.26 174.54 3ij4 s MET 364 N -5.05 4.42 0.80 1.61 -1.94 -1.26 -4.82 119.30 113.05 3ij4 s MET 364 Ca 0.53 1.95 -0.12 0.00 -1.71 0.00 0.00 55.69 56.34 3ij4 s MET 364 Cb -0.11 -3.24 0.07 0.00 2.01 0.00 0.00 34.83 33.56 3ij4 s MET 364 CO 0.51 -0.24 1.14 -2.14 -0.01 0.00 0.00 175.02 174.28 3ij4 s PRO 365 N 0.27 2.10 0.22 2.03 0.02 -1.26 0.12 135.00 138.49 3ij4 s PRO 365 Ca 0.57 0.33 0.22 0.00 0.02 0.00 0.00 61.00 62.14 3ij4 s PRO 365 Cb -0.34 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.26 3ij4 s PRO 365 CO 0.35 -1.54 1.10 0.00 -0.33 0.00 0.00 177.00 176.57 3ij4 s ASN 367 N -5.55 3.11 -0.04 0.00 -0.87 -1.26 -1.70 114.94 108.63 3ij4 s ASN 367 Ca 0.00 -0.60 0.03 0.00 -1.57 0.00 0.00 52.86 50.73 3ij4 s ASN 367 Cb 0.09 -1.44 0.00 0.00 -0.02 0.00 0.00 41.25 39.88 3ij4 s ASN 367 CO 0.78 0.09 -0.12 -0.69 -2.57 0.00 0.00 177.10 174.59 3ij4 s VAL 368 N 0.74 1.02 -0.32 1.60 1.01 -0.32 -5.01 120.40 119.12 3ij4 s VAL 368 Ca -0.09 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 3ij4 s VAL 368 Cb -0.16 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 3ij4 s VAL 368 CO -0.00 0.31 0.16 -0.89 0.00 0.00 0.00 175.10 174.67 3ij4 s THR 369 N 0.20 4.56 0.06 3.92 2.01 -1.26 -0.61 115.64 124.52 3ij4 s THR 369 Ca -0.05 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.48 3ij4 s THR 369 Cb -0.10 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 3ij4 s THR 369 CO 0.01 0.02 0.05 -0.60 -0.69 0.00 0.00 174.62 173.42 3ij4 s ARG 370 N 1.60 2.84 -0.34 4.92 3.52 0.08 -4.87 118.95 126.69 3ij4 s ARG 370 Ca 0.04 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 54.99 3ij4 s ARG 370 Cb -0.17 -2.71 0.10 0.00 -1.56 0.00 0.00 34.95 30.61 3ij4 s ARG 370 CO 0.06 0.58 0.06 0.71 -0.81 0.00 0.00 175.30 175.91 3ij4 s TYR 371 N -1.30 3.66 0.29 5.12 2.02 -1.26 -0.53 117.35 125.36 3ij4 s TYR 371 Ca 0.26 -2.76 -0.30 0.00 -0.37 0.00 0.00 57.07 53.90 3ij4 s TYR 371 Cb -0.12 -2.84 -0.11 0.00 -0.40 0.00 0.00 41.96 38.49 3ij4 s TYR 371 CO 0.18 -0.94 1.49 0.20 -1.57 0.00 0.00 175.55 174.92 3ij4 s GLY 372 N 1.13 2.40 -0.00 0.71 0.00 -0.81 -4.89 107.32 105.86 3ij4 s GLY 372 Ca 0.08 1.45 -0.00 0.00 0.00 0.00 0.00 44.72 46.24 3ij4 s GLY 372 CO -0.07 2.35 0.01 -1.59 0.00 0.00 0.00 173.10 173.80 3ij4 s LYS 373 N -0.82 0.06 -0.18 2.90 -2.85 -1.26 -1.72 119.74 115.86 3ij4 s LYS 373 Ca 0.59 -0.07 0.01 0.00 -1.00 0.00 0.00 55.97 55.50 3ij4 s LYS 373 Cb -0.45 0.02 0.03 0.00 -2.06 0.00 0.00 37.83 35.38 3ij4 s LYS 373 CO 0.49 -0.01 -0.15 -1.21 0.10 0.00 0.00 175.35 174.57 3ij4 s GLU 374 N -0.19 2.44 0.20 1.78 2.02 0.28 -4.99 118.70 120.24 3ij4 s GLU 374 Ca -0.02 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 3ij4 s GLU 374 Cb -0.01 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.78 3ij4 s GLU 374 CO -0.00 -0.30 0.42 -0.51 0.02 0.00 0.00 175.26 174.88 3ij4 s LEU 375 N 1.37 4.21 -0.10 1.80 1.02 -1.26 -1.88 118.68 123.84 3ij4 s LEU 375 Ca 0.02 0.53 -0.27 0.00 0.02 0.00 0.00 54.13 54.43 3ij4 s LEU 375 Cb -0.14 -3.29 0.06 0.00 0.02 0.00 0.00 46.19 42.84 3ij4 s LEU 375 CO -0.10 -0.04 0.62 -0.55 0.02 0.00 0.00 176.35 176.30 3ij4 s SER 376 N -2.91 -0.60 0.07 2.29 0.15 -0.54 -4.98 113.70 107.17 3ij4 s SER 376 Ca 0.40 0.79 0.06 0.00 0.70 0.00 0.00 55.95 57.90 3ij4 s SER 376 Cb -0.11 0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 3ij4 s SER 376 CO 0.28 -0.49 -0.17 -0.04 1.20 0.00 0.00 173.24 174.02 3ij4 s MET 377 N -0.81 1.00 0.13 5.44 -1.94 -1.26 -0.16 119.30 121.71 3ij4 s MET 377 Ca -0.08 -0.96 0.04 0.00 -1.71 0.00 0.00 55.69 52.98 3ij4 s MET 377 Cb -0.02 -1.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 3ij4 s MET 377 CO 0.07 0.26 -0.10 0.14 -0.01 0.00 0.00 175.02 175.37 3ij4 s VAL 378 N -1.07 1.13 0.26 -6.03 -7.23 -0.27 -4.98 120.40 102.21 3ij4 s VAL 378 Ca 0.02 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 3ij4 s VAL 378 Cb -0.09 -1.72 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 3ij4 s VAL 378 CO 0.02 -0.69 0.99 -0.75 -0.31 0.00 0.00 175.10 174.37 3ij4 s LYS 379 N -3.48 4.77 0.01 4.82 2.20 -1.26 0.23 119.74 127.03 3ij4 s LYS 379 Ca 0.14 1.59 0.04 0.00 -0.36 0.00 0.00 55.97 57.38 3ij4 s LYS 379 Cb 0.01 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 3ij4 s LYS 379 CO 0.00 0.40 -0.12 -1.50 -0.36 0.00 0.00 175.35 173.78 3ij4 s ILE 380 N -1.19 0.92 0.69 5.43 2.07 -1.13 -4.54 121.20 123.45 3ij4 s ILE 380 Ca 0.43 -0.65 -0.06 0.00 -1.41 0.00 0.00 60.65 58.96 3ij4 s ILE 380 Cb -0.28 -0.80 0.06 0.00 0.13 0.00 0.00 42.46 41.57 3ij4 s ILE 380 CO 0.35 0.15 1.00 -2.16 -1.91 0.00 0.00 174.94 172.36 3ij4 s PRO 381 N -0.57 2.25 0.56 3.50 0.04 -1.26 -4.12 135.00 135.41 3ij4 s PRO 381 Ca 0.03 -0.26 -0.12 0.00 0.04 0.00 0.00 61.00 60.69 3ij4 s PRO 381 Cb -0.06 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 3ij4 s PRO 381 CO 0.00 -1.19 0.97 -1.54 0.04 0.00 0.00 177.00 175.29 3ij4 s SER 382 N -4.50 6.35 0.37 6.66 1.04 -1.26 -4.88 113.70 117.49 3ij4 s SER 382 Ca 0.60 1.38 0.10 0.00 0.48 0.00 0.00 55.95 58.51 3ij4 s SER 382 Cb -0.11 -2.45 0.86 0.00 0.10 0.00 0.00 66.02 64.42 3ij4 s SER 382 CO 0.44 -0.74 1.90 0.50 0.98 0.00 0.00 173.24 176.33 3ij4 h LYS 383 N 0.16 0.62 -0.02 4.02 3.64 -2.01 -0.29 116.57 122.69 3ij4 h LYS 383 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3ij4 h LYS 383 Cb 1.19 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3ij4 h LYS 383 CO 0.62 0.41 0.00 0.00 -2.27 0.00 0.00 179.45 178.21 3ij4 n ALA 384 N -2.46 2.63 0.00 5.00 0.00 -1.26 -4.00 120.51 120.42 3ij4 n ALA 384 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ij4 n ALA 384 Cb 0.44 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3ij4 n ALA 384 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ij4 n SER 385 N -0.68 0.43 -0.19 0.00 3.41 -0.68 -4.86 113.62 111.05 3ij4 n SER 385 Ca 0.19 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3ij4 n SER 385 Cb 0.14 0.26 0.11 0.00 -0.26 0.00 0.00 64.21 64.45 3ij4 n SER 385 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ij4 h ALA 386 N 0.00 0.70 -0.51 7.33 0.00 -1.22 -2.23 119.26 123.34 3ij4 h ALA 386 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ij4 h ALA 386 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ij4 h ALA 386 CO 0.00 -0.30 -0.02 1.57 0.00 0.00 0.00 179.25 180.51 3ij4 h LYS 387 N 0.27 0.87 0.40 0.00 2.10 -1.86 -0.80 116.57 117.55 3ij4 h LYS 387 Ca 0.31 -0.25 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 3ij4 h LYS 387 Cb 0.45 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 3ij4 h LYS 387 CO -0.39 0.88 -0.38 -0.92 -2.00 0.00 0.00 179.45 176.64 3ij4 h TYR 388 N 0.80 -1.02 -0.58 0.07 3.20 -1.75 -1.66 116.97 116.04 3ij4 h TYR 388 Ca 0.15 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3ij4 h TYR 388 Cb 0.50 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3ij4 h TYR 388 CO 0.03 -0.53 0.13 -0.07 -1.64 0.00 0.00 178.16 176.08 3ij4 h LEU 389 N -0.79 0.84 -0.26 2.82 3.38 -1.35 0.13 115.31 120.08 3ij4 h LEU 389 Ca -0.03 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3ij4 h LEU 389 Cb 0.70 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 3ij4 h LEU 389 CO -0.05 0.82 -0.18 0.00 0.09 0.00 0.00 178.44 179.12 3ij4 h ALA 390 N 1.29 -0.01 -0.28 1.53 0.00 -1.04 -2.04 119.26 118.71 3ij4 h ALA 390 Ca 0.19 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ij4 h ALA 390 Cb 0.32 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ij4 h ALA 390 CO 0.00 -0.59 -0.05 -0.22 0.00 0.00 0.00 179.25 178.38 3ij4 h LYS 391 N -0.17 0.53 -0.87 0.00 3.64 -0.90 0.25 116.57 119.05 3ij4 h LYS 391 Ca 0.14 -0.20 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 3ij4 h LYS 391 Cb 0.38 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 3ij4 h LYS 391 CO -0.36 0.73 0.56 -0.22 -2.27 0.00 0.00 179.45 177.89 3ij4 h LYS 392 N 0.29 0.80 -0.30 1.90 3.64 -0.49 -2.67 116.57 119.75 3ij4 h LYS 392 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3ij4 h LYS 392 Cb 0.52 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ij4 h LYS 392 CO 0.02 0.53 0.00 0.66 -2.27 0.00 0.00 179.45 178.40 3ij4 n TYR 393 N -4.53 0.50 -3.17 1.91 4.02 -0.79 -5.00 117.16 110.10 3ij4 n TYR 393 Ca 0.15 -0.57 -0.14 0.00 -0.01 0.00 0.00 57.90 57.33 3ij4 n TYR 393 Cb 0.33 -0.08 0.07 0.00 -0.02 0.00 0.00 39.34 39.64 3ij4 n TYR 393 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3ij4 n ASN 394 N 0.23 -2.40 -4.09 7.72 5.15 -0.93 -5.02 115.26 115.91 3ij4 n ASN 394 Ca 0.12 -0.53 -0.10 0.00 -0.60 0.00 0.00 54.58 53.48 3ij4 n ASN 394 Cb 0.49 -4.38 -0.11 0.00 -0.53 0.00 0.00 39.78 35.26 3ij4 n ASN 394 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ij4 s LYS 395 N -5.04 0.62 0.67 1.20 3.01 0.85 -5.04 119.74 116.00 3ij4 s LYS 395 Ca 0.04 -1.04 -0.17 0.00 -1.01 0.00 0.00 55.97 53.79 3ij4 s LYS 395 Cb -0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 37.83 36.72 3ij4 s LYS 395 CO 0.61 -0.02 1.24 0.45 0.51 0.00 0.00 175.35 178.14 3ij4 s SER 396 N -2.37 4.58 0.29 2.83 0.15 -1.26 -4.36 113.70 113.56 3ij4 s SER 396 Ca 0.00 2.48 0.01 0.00 0.70 0.00 0.00 55.95 59.14 3ij4 s SER 396 Cb -0.01 -2.60 0.45 0.00 -1.71 0.00 0.00 66.02 62.15 3ij4 s SER 396 CO -0.04 -2.01 1.81 -0.33 1.20 0.00 0.00 173.24 173.87 3ij4 h GLU 397 N 0.32 0.67 -0.31 5.44 5.08 -1.92 -2.35 114.58 121.50 3ij4 h GLU 397 Ca -0.50 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 57.75 3ij4 h GLU 397 Cb 1.31 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 3ij4 h GLU 397 CO 0.52 0.69 0.02 1.96 -1.00 0.00 0.00 179.01 181.20 3ij4 h GLN 398 N 0.63 0.11 -0.35 2.33 1.08 -1.98 -2.94 115.11 113.99 3ij4 h GLN 398 Ca 0.13 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3ij4 h GLN 398 Cb 0.40 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 3ij4 h GLN 398 CO 0.02 0.07 0.13 -0.92 -0.95 0.00 0.00 178.83 177.18 3ij4 h TYR 399 N 0.11 0.23 -0.82 2.96 5.03 -1.80 -2.35 116.97 120.33 3ij4 h TYR 399 Ca 0.15 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.51 3ij4 h TYR 399 Cb 0.19 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.37 3ij4 h TYR 399 CO -0.22 0.10 0.52 0.82 -1.32 0.00 0.00 178.16 178.07 3ij4 h ILE 400 N 0.28 1.11 0.00 1.81 1.08 -1.41 0.73 117.51 121.12 3ij4 h ILE 400 Ca 0.16 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3ij4 h ILE 400 Cb 0.12 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 3ij4 h ILE 400 CO -0.15 0.18 0.00 1.23 -0.69 0.00 0.00 178.15 178.72 3ij4 h GLY 401 N 1.01 0.00 0.00 5.37 0.00 -1.25 -2.60 103.07 105.60 3ij4 h GLY 401 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3ij4 h GLY 401 CO -0.12 0.00 -0.93 -2.21 0.00 0.00 0.00 176.54 173.28 3ij4 n GLU 402 N -2.69 2.03 0.00 4.80 2.13 -0.63 -4.33 120.64 121.95 3ij4 n GLU 402 Ca 0.01 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3ij4 n GLU 402 Cb 0.25 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 30.93 3ij4 n GLU 402 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3ij4 n ASN 403 N -1.52 4.02 -4.84 4.31 3.02 0.16 -4.74 115.26 115.67 3ij4 n ASN 403 Ca -0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 3ij4 n ASN 403 Cb 0.16 0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 39.86 3ij4 n ASN 403 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ij4 s ILE 404 N -1.71 4.65 -0.27 2.41 1.09 -0.98 -2.16 121.20 124.22 3ij4 s ILE 404 Ca 0.00 1.06 -0.21 0.00 -1.10 0.00 0.00 60.65 60.41 3ij4 s ILE 404 Cb 0.00 -3.71 0.08 0.00 -1.06 0.00 0.00 42.46 37.76 3ij4 s ILE 404 CO 0.00 -0.01 0.71 -0.22 -0.10 0.00 0.00 174.94 175.32 3ij4 s LEU 405 N -2.54 -0.84 -0.10 2.97 0.20 -0.82 0.76 118.68 118.31 3ij4 s LEU 405 Ca 0.49 1.48 0.03 0.00 0.69 0.00 0.00 54.13 56.81 3ij4 s LEU 405 Cb -0.13 2.43 0.01 0.00 -0.43 0.00 0.00 46.19 48.06 3ij4 s LEU 405 CO 0.19 -0.24 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.12 3ij4 s VAL 406 N 0.97 1.76 -0.12 1.68 1.01 -0.81 -0.01 120.40 124.88 3ij4 s VAL 406 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3ij4 s VAL 406 Cb -0.05 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3ij4 s VAL 406 CO -0.09 0.49 -0.14 -0.22 0.00 0.00 0.00 175.10 175.14 3ij4 s LEU 407 N 0.60 2.65 -0.21 3.92 2.96 0.12 -0.52 118.68 128.20 3ij4 s LEU 407 Ca -0.14 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3ij4 s LEU 407 Cb -0.17 -1.58 0.05 0.00 0.50 0.00 0.00 46.19 44.99 3ij4 s LEU 407 CO 0.04 0.18 -0.08 -1.81 -1.32 0.00 0.00 176.35 173.36 3ij4 s ASP 408 N 0.23 3.57 -0.18 3.68 1.11 -0.02 -0.99 116.67 124.07 3ij4 s ASP 408 Ca -0.09 -1.00 -0.02 0.00 0.18 0.00 0.00 52.55 51.61 3ij4 s ASP 408 Cb -0.16 -1.21 -0.01 0.00 1.07 0.00 0.00 42.92 42.61 3ij4 s ASP 408 CO 0.06 -0.18 -0.08 -0.63 1.18 0.00 0.00 175.17 175.52 3ij4 s ILE 409 N 1.39 3.26 0.29 0.77 1.01 -0.08 0.38 121.20 128.22 3ij4 s ILE 409 Ca -0.03 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 3ij4 s ILE 409 Cb -0.17 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.88 3ij4 s ILE 409 CO -0.07 0.47 0.65 0.72 0.00 0.00 0.00 174.94 176.70 3ij4 s PHE 410 N 1.01 0.10 0.08 3.97 -0.71 -0.89 -0.26 117.98 121.28 3ij4 s PHE 410 Ca -0.00 -0.56 0.05 0.00 -1.04 0.00 0.00 56.93 55.38 3ij4 s PHE 410 Cb -0.15 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 3ij4 s PHE 410 CO -0.01 -1.22 -0.03 -0.06 -1.34 0.00 0.00 175.22 172.56 3ij4 s PHE 411 N -3.60 2.91 1.14 3.49 0.40 -1.26 -0.23 117.98 120.83 3ij4 s PHE 411 Ca 0.16 -0.06 -0.19 0.00 -0.60 0.00 0.00 56.93 56.25 3ij4 s PHE 411 Cb -0.04 -1.52 0.27 0.00 0.51 0.00 0.00 43.02 42.24 3ij4 s PHE 411 CO 0.09 0.46 1.18 -1.83 0.70 0.00 0.00 175.22 175.82 3ij4 s GLU 412 N -2.19 -0.73 0.10 0.44 -1.05 -0.74 -1.39 118.70 113.14 3ij4 s GLU 412 Ca 0.24 -0.22 -0.26 0.00 -0.15 0.00 0.00 54.97 54.58 3ij4 s GLU 412 Cb -0.11 -1.67 -0.10 0.00 -0.44 0.00 0.00 34.13 31.80 3ij4 s GLU 412 CO 0.16 -3.36 1.67 0.00 0.95 0.00 0.00 175.26 174.68 3ij4 h ALA 413 N -2.32 -0.30 -0.88 -0.84 0.00 -1.91 -3.21 119.26 109.80 3ij4 h ALA 413 Ca -0.44 -0.03 -0.69 0.00 0.00 0.00 0.00 54.91 53.75 3ij4 h ALA 413 Cb 1.27 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.24 3ij4 h ALA 413 CO 0.34 -0.70 2.19 1.28 0.00 0.00 0.00 179.25 182.36 3ij4 n LEU 414 N -5.30 5.10 0.18 0.00 4.77 -1.26 -4.32 117.00 116.17 3ij4 n LEU 414 Ca -0.07 -3.99 0.11 0.00 -0.03 0.00 0.00 56.01 52.03 3ij4 n LEU 414 Cb 0.21 -1.73 0.11 0.00 -2.33 0.00 0.00 43.42 39.68 3ij4 n LEU 414 CO 0.29 0.27 0.56 -0.55 -1.33 0.00 0.00 177.39 176.63 3ij4 h ASN 415 N 7.41 0.00 -3.66 -1.43 -1.07 -1.53 -3.45 115.58 111.85 3ij4 h ASN 415 Ca 0.45 0.00 -0.62 0.00 0.07 0.00 0.00 56.30 56.20 3ij4 h ASN 415 Cb 0.85 0.00 -0.32 0.00 -2.07 0.00 0.00 38.32 36.78 3ij4 h ASN 415 CO 1.47 0.07 -0.86 -0.47 0.07 0.00 0.00 177.43 177.71 3ij4 s TYR 416 N -3.21 2.08 -0.05 4.14 5.04 -0.80 -0.20 117.35 124.35 3ij4 s TYR 416 Ca 0.05 -0.72 0.01 0.00 -2.44 0.00 0.00 57.07 53.96 3ij4 s TYR 416 Cb 0.06 -1.41 0.02 0.00 0.35 0.00 0.00 41.96 40.99 3ij4 s TYR 416 CO 0.71 -0.28 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.60 3ij4 s GLU 417 N 0.21 0.88 -0.18 4.97 2.12 0.12 -0.71 118.70 126.11 3ij4 s GLU 417 Ca -0.11 -0.10 -0.05 0.00 0.36 0.00 0.00 54.97 55.07 3ij4 s GLU 417 Cb -0.15 -0.92 -0.03 0.00 0.26 0.00 0.00 34.13 33.30 3ij4 s GLU 417 CO 0.05 -0.11 -0.01 0.99 -0.54 0.00 0.00 175.26 175.64 3ij4 s THR 418 N 1.06 4.03 -0.54 -1.70 2.01 -0.61 0.76 115.64 120.66 3ij4 s THR 418 Ca -0.09 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.66 3ij4 s THR 418 Cb -0.14 -2.80 0.13 0.00 0.01 0.00 0.00 72.50 69.71 3ij4 s THR 418 CO -0.01 0.46 0.28 -0.63 -0.69 0.00 0.00 174.62 174.03 3ij4 s ILE 419 N 0.63 2.62 -0.17 1.82 1.01 0.20 -1.20 121.20 126.11 3ij4 s ILE 419 Ca -0.01 -3.41 -0.04 0.00 0.00 0.00 0.00 60.65 57.19 3ij4 s ILE 419 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 3ij4 s ILE 419 CO 0.02 -0.82 -0.02 -0.70 0.00 0.00 0.00 174.94 173.42 3ij4 s GLU 420 N -0.40 3.68 -0.22 2.79 2.12 -0.73 -1.47 118.70 124.47 3ij4 s GLU 420 Ca 0.18 -0.51 -0.28 0.00 0.36 0.00 0.00 54.97 54.72 3ij4 s GLU 420 Cb -0.24 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.19 3ij4 s GLU 420 CO -0.01 0.19 0.97 -0.65 -0.54 0.00 0.00 175.26 175.22 3ij4 s GLN 421 N 0.50 4.25 -0.06 4.30 -1.52 -0.91 -0.55 119.66 125.67 3ij4 s GLN 421 Ca -0.02 1.23 0.01 0.00 -1.95 0.00 0.00 55.36 54.62 3ij4 s GLN 421 Cb -0.14 -3.63 -0.03 0.00 -0.22 0.00 0.00 33.01 28.99 3ij4 s GLN 421 CO 0.02 -0.56 -0.05 0.15 -0.25 0.00 0.00 175.29 174.61 3ij4 s LYS 422 N 2.95 2.78 0.31 2.91 -0.14 0.67 -4.72 119.74 124.51 3ij4 s LYS 422 Ca 0.42 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.19 3ij4 s LYS 422 Cb -0.15 -2.64 -0.11 0.00 -1.68 0.00 0.00 37.83 33.25 3ij4 s LYS 422 CO 0.08 0.66 1.58 0.15 -0.76 0.00 0.00 175.35 177.06 3ij4 s LYS 423 N -0.96 4.11 -0.13 1.68 1.02 -1.26 -0.06 119.74 124.13 3ij4 s LYS 423 Ca 0.14 2.59 0.15 0.00 0.02 0.00 0.00 55.97 58.87 3ij4 s LYS 423 Cb -0.11 -3.01 -0.24 0.00 -0.52 0.00 0.00 37.83 33.95 3ij4 s LYS 423 CO 0.03 -0.63 0.32 0.00 -0.92 0.00 0.00 175.35 174.16 3ij4 n ALA 424 N 1.90 1.49 -3.52 5.17 0.00 -0.80 -4.75 120.51 120.00 3ij4 n ALA 424 Ca 0.07 -1.08 -0.29 0.00 0.00 0.00 0.00 53.44 52.14 3ij4 n ALA 424 Cb 0.38 -0.47 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 3ij4 n ALA 424 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3ij4 s TYR 425 N -2.54 0.81 0.84 0.00 5.04 -1.26 -5.05 117.35 115.19 3ij4 s TYR 425 Ca -0.08 -1.52 -0.11 0.00 -2.44 0.00 0.00 57.07 52.91 3ij4 s TYR 425 Cb 0.07 -1.06 0.10 0.00 0.35 0.00 0.00 41.96 41.42 3ij4 s TYR 425 CO 0.82 -0.83 1.10 -1.21 -1.34 0.00 0.00 175.55 174.09 3ij4 s GLU 426 N 1.29 1.70 0.28 4.97 0.41 -1.26 -4.90 118.70 121.19 3ij4 s GLU 426 Ca 0.15 1.09 -0.03 0.00 -0.41 0.00 0.00 54.97 55.77 3ij4 s GLU 426 Cb -0.21 -1.84 0.40 0.00 -1.78 0.00 0.00 34.13 30.70 3ij4 s GLU 426 CO -0.10 -2.01 1.91 -0.24 -0.49 0.00 0.00 175.26 174.33 3ij4 h VAL 427 N -1.39 1.22 -0.43 2.63 3.04 -2.00 -2.68 116.25 116.64 3ij4 h VAL 427 Ca -0.46 -0.55 -0.08 0.00 -1.01 0.00 0.00 66.70 64.60 3ij4 h VAL 427 Cb 1.26 0.20 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 3ij4 h VAL 427 CO 0.51 0.25 -0.08 0.00 -1.01 0.00 0.00 177.57 177.24 3ij4 h ALA 428 N 1.41 1.06 0.00 3.17 0.00 -2.00 -2.48 119.26 120.43 3ij4 h ALA 428 Ca 0.27 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3ij4 h ALA 428 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ij4 h ALA 428 CO -0.04 0.58 -0.25 0.78 0.00 0.00 0.00 179.25 180.31 3ij4 h GLY 429 N 0.97 0.00 0.48 0.00 0.00 -1.87 -1.55 103.07 101.10 3ij4 h GLY 429 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 3ij4 h GLY 429 CO 0.03 0.00 -0.04 -2.00 0.00 0.00 0.00 176.54 174.53 3ij4 h LEU 430 N 0.00 -0.10 -0.77 3.11 6.46 -1.16 -2.90 115.31 119.95 3ij4 h LEU 430 Ca -0.00 -0.42 -0.00 0.00 -0.12 0.00 0.00 57.88 57.33 3ij4 h LEU 430 Cb 0.82 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 3ij4 h LEU 430 CO 0.03 0.40 0.47 -0.07 -0.62 0.00 0.00 178.44 178.65 3ij4 h LEU 431 N -0.64 0.92 -0.13 2.25 3.38 -1.38 0.12 115.31 119.82 3ij4 h LEU 431 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ij4 h LEU 431 Cb 0.52 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ij4 h LEU 431 CO 0.02 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.87 3ij4 n GLY 432 N -1.20 -1.00 0.10 0.83 0.00 -0.59 -0.56 105.19 102.77 3ij4 n GLY 432 Ca 0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3ij4 n GLY 432 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ij4 n ASP 433 N -1.63 1.94 0.18 1.61 9.92 -0.47 -3.52 116.55 124.58 3ij4 n ASP 433 Ca 0.03 -0.09 0.07 0.00 -0.53 0.00 0.00 54.79 54.27 3ij4 n ASP 433 Cb 0.16 -0.04 0.12 0.00 -0.64 0.00 0.00 41.12 40.72 3ij4 n ASP 433 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 3ij4 h ILE 434 N 0.00 0.50 0.31 0.53 -0.00 -0.82 -2.17 117.51 115.86 3ij4 h ILE 434 Ca -0.48 -1.66 -0.02 0.00 -0.00 0.00 0.00 64.86 62.71 3ij4 h ILE 434 Cb 1.83 2.21 0.00 0.00 -0.00 0.00 0.00 36.82 40.86 3ij4 h ILE 434 CO -0.05 0.28 -0.15 1.23 -0.00 0.00 0.00 178.15 179.46 3ij4 h GLY 435 N 3.58 -0.44 1.28 0.16 0.00 -1.04 -0.97 103.07 105.64 3ij4 h GLY 435 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3ij4 h GLY 435 CO 0.04 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.03 3ij4 n GLY 436 N 0.08 -0.45 0.12 4.60 0.00 -1.23 -1.36 105.19 106.94 3ij4 n GLY 436 Ca -0.09 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 3ij4 n GLY 436 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ij4 n GLN 437 N -1.14 0.69 -0.01 1.61 7.27 -0.82 -4.03 117.38 120.95 3ij4 n GLN 437 Ca 0.06 0.18 -0.12 0.00 0.07 0.00 0.00 57.00 57.18 3ij4 n GLN 437 Cb 0.05 -1.63 -0.08 0.00 2.41 0.00 0.00 30.24 31.00 3ij4 n GLN 437 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 3ij4 h MET 438 N 0.02 0.09 -0.95 3.69 2.07 0.10 -3.13 114.93 116.82 3ij4 h MET 438 Ca -0.47 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.13 3ij4 h MET 438 Cb 2.04 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 31.76 3ij4 h MET 438 CO 0.02 0.39 0.00 0.41 1.07 0.00 0.00 176.91 178.80 3ij4 n GLY 439 N -0.21 1.45 0.03 8.32 0.00 -0.67 -1.71 105.19 112.40 3ij4 n GLY 439 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 3ij4 n GLY 439 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ij4 n LEU 440 N 0.17 0.00 -0.00 0.99 -0.00 -1.18 -3.64 117.00 113.34 3ij4 n LEU 440 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.05 3ij4 n LEU 440 Cb 0.28 0.15 -0.06 0.00 -0.00 0.00 0.00 43.42 43.79 3ij4 n LEU 440 CO 0.00 0.15 -0.29 0.49 -0.00 0.00 0.00 177.39 177.75 3ij4 n PHE 441 N -2.18 0.00 -2.25 1.96 3.72 -1.10 -2.77 117.46 114.84 3ij4 n PHE 441 Ca -0.11 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.06 3ij4 n PHE 441 Cb 0.62 -0.10 0.02 0.00 -0.94 0.00 0.00 39.48 39.08 3ij4 n PHE 441 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3ij4 n ILE 442 N -1.49 2.34 0.00 4.37 -5.35 -0.69 -4.54 119.36 113.99 3ij4 n ILE 442 Ca 0.00 -4.32 0.00 0.00 -0.27 0.00 0.00 62.75 58.16 3ij4 n ILE 442 Cb 0.19 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 37.14 3ij4 n ILE 442 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ij4 n GLY 443 N -0.60 0.00 0.79 3.28 0.00 -1.24 -4.71 105.19 102.70 3ij4 n GLY 443 Ca 0.39 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.48 3ij4 n GLY 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij4 n ALA 444 N -0.27 2.57 0.49 4.61 0.00 -1.11 -4.15 120.51 122.65 3ij4 n ALA 444 Ca 0.00 -1.67 0.13 0.00 0.00 0.00 0.00 53.44 51.90 3ij4 n ALA 444 Cb 0.00 -0.58 0.32 0.00 0.00 0.00 0.00 19.45 19.19 3ij4 n ALA 444 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ij4 h SER 445 N 2.00 0.00 0.31 0.00 0.87 -1.80 -3.31 113.55 111.62 3ij4 h SER 445 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3ij4 h SER 445 Cb 1.07 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3ij4 h SER 445 CO 0.11 0.00 -0.02 0.40 -0.53 0.00 0.00 176.83 176.79 3ij4 h ILE 446 N 0.00 0.16 -0.00 2.23 2.04 -1.95 -1.94 117.51 118.05 3ij4 h ILE 446 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3ij4 h ILE 446 Cb 0.82 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3ij4 h ILE 446 CO 0.00 0.02 -0.73 0.18 0.00 0.00 0.00 178.15 177.62 3ij4 n LEU 447 N -3.27 1.07 -0.08 1.44 4.77 -1.25 -3.65 117.00 116.04 3ij4 n LEU 447 Ca -0.02 -0.56 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 3ij4 n LEU 447 Cb 0.16 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.09 3ij4 n LEU 447 CO 0.24 0.24 -1.07 1.07 -1.33 0.00 0.00 177.39 176.54 3ij4 n THR 448 N -1.09 1.10 0.14 -5.08 5.66 -0.99 -3.79 114.28 110.22 3ij4 n THR 448 Ca 0.04 -0.78 0.03 0.00 -3.05 0.00 0.00 64.05 60.30 3ij4 n THR 448 Cb 0.31 -0.38 0.03 0.00 -1.55 0.00 0.00 70.33 68.74 3ij4 n THR 448 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3ij4 h VAL 449 N 0.00 0.77 0.00 1.08 2.07 -1.57 -3.08 116.25 115.52 3ij4 h VAL 449 Ca -0.43 -2.10 -0.05 0.00 0.82 0.00 0.00 66.70 64.93 3ij4 h VAL 449 Cb 1.98 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 34.11 3ij4 h VAL 449 CO 0.02 0.44 -0.25 0.25 0.02 0.00 0.00 177.57 178.05 3ij4 h LEU 450 N 0.00 0.00 -0.68 2.57 5.85 -1.73 -3.52 115.31 117.80 3ij4 h LEU 450 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ij4 h LEU 450 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3ij4 h LEU 450 CO 0.06 0.25 0.00 -0.62 -0.34 0.00 0.00 178.44 177.79