#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i48 s ALA 51 N 0.00 1.84 -0.05 2.98 0.00 -1.26 -5.07 121.76 120.20 1i48 s ALA 51 Ca 0.00 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.43 1i48 s ALA 51 Cb 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 23.12 22.80 1i48 s ALA 51 CO 0.00 0.27 0.76 0.66 0.00 0.00 0.00 175.76 177.45 1i48 h SER 52 N 3.65 -0.28 0.00 0.00 4.64 -2.07 -3.20 113.55 116.29 1i48 h SER 52 Ca -0.43 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1i48 h SER 52 Cb 1.19 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1i48 h SER 52 CO 0.46 0.23 0.00 2.22 -0.87 0.00 0.00 176.83 178.87 1i48 n PHE 53 N -5.00 0.00 -3.91 4.77 1.16 -1.26 -4.30 117.46 108.91 1i48 n PHE 53 Ca -0.07 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.20 1i48 n PHE 53 Cb 0.24 -0.01 -0.15 0.00 -1.61 0.00 0.00 39.48 37.95 1i48 n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i48 s LEU 54 N -0.80 3.18 -0.02 5.98 1.43 -1.21 -4.95 118.68 122.29 1i48 s LEU 54 Ca 0.00 -1.60 0.02 0.00 -1.03 0.00 0.00 54.13 51.52 1i48 s LEU 54 Cb 0.00 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1i48 s LEU 54 CO 0.00 -0.33 0.01 0.59 0.23 0.00 0.00 176.35 176.85 1i48 n ASN 55 N 4.58 4.44 -4.72 2.29 3.02 -1.26 -4.66 115.26 118.96 1i48 n ASN 55 Ca -0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.10 1i48 n ASN 55 Cb 0.43 0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 40.13 1i48 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i48 s SER 56 N -3.24 7.12 0.28 6.41 0.15 -1.26 -4.95 113.70 118.21 1i48 s SER 56 Ca -0.01 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 57.98 1i48 s SER 56 Cb 0.01 -2.46 0.62 0.00 -1.71 0.00 0.00 66.02 62.48 1i48 s SER 56 CO 0.09 -0.13 1.64 0.44 1.20 0.00 0.00 173.24 176.48 1i48 h ASP 57 N 6.60 -0.12 -0.05 5.45 3.32 -1.99 -0.61 116.42 129.02 1i48 h ASP 57 Ca -0.41 0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1i48 h ASP 57 Cb 1.20 0.29 -0.06 0.00 0.22 0.00 0.00 39.33 40.99 1i48 h ASP 57 CO 0.75 -0.16 -0.33 1.23 -1.72 0.00 0.00 179.24 179.00 1i48 h GLY 58 N 0.17 -0.53 0.38 2.75 0.00 -1.98 0.52 103.07 104.39 1i48 h GLY 58 Ca 0.51 0.41 0.14 0.00 0.00 0.00 0.00 47.33 48.38 1i48 h GLY 58 CO -0.66 -0.23 0.61 1.76 0.00 0.00 0.00 176.54 178.01 1i48 h SER 59 N -0.45 0.86 0.52 0.19 0.02 -1.54 -2.24 113.55 110.90 1i48 h SER 59 Ca 0.07 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1i48 h SER 59 Cb 0.57 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.01 1i48 h SER 59 CO -0.31 0.42 -0.25 0.58 -1.14 0.00 0.00 176.83 176.14 1i48 h VAL 60 N 0.91 0.35 0.00 2.27 2.07 -0.40 -1.20 116.25 120.25 1i48 h VAL 60 Ca 0.51 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1i48 h VAL 60 Cb 0.58 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1i48 h VAL 60 CO -0.30 0.05 0.51 0.00 0.02 0.00 0.00 177.57 177.85 1i48 h ALA 61 N -0.70 1.43 0.00 1.67 0.00 0.47 0.92 119.26 123.05 1i48 h ALA 61 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 1i48 h ALA 61 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1i48 h ALA 61 CO 0.12 -0.43 -1.89 -0.89 0.00 0.00 0.00 179.25 176.16 1i48 n ILE 62 N -2.35 1.53 0.87 0.00 5.41 -0.89 -4.16 119.36 119.77 1i48 n ILE 62 Ca -0.01 -0.20 0.09 0.00 1.00 0.00 0.00 62.75 63.63 1i48 n ILE 62 Cb 0.53 -1.97 -0.10 0.00 -0.71 0.00 0.00 39.64 37.39 1i48 n ILE 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1i48 n HIS 63 N -4.34 0.00 -1.63 1.39 8.25 -0.41 -4.87 115.22 113.62 1i48 n HIS 63 Ca -0.43 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.54 1i48 n HIS 63 Cb 0.78 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.84 1i48 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i48 n ALA 64 N -1.43 0.16 -2.24 -1.41 0.00 0.31 -1.06 120.51 114.83 1i48 n ALA 64 Ca 0.03 0.48 -0.19 0.00 0.00 0.00 0.00 53.44 53.77 1i48 n ALA 64 Cb 0.29 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1i48 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i48 n GLY 65 N 2.90 -0.08 2.02 0.00 0.00 -1.26 -4.40 105.19 104.36 1i48 n GLY 65 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1i48 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i48 n GLU 66 N -2.76 0.00 -0.32 1.61 1.02 -0.23 -4.75 120.64 115.20 1i48 n GLU 66 Ca -0.22 0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.14 1i48 n GLU 66 Cb 0.66 0.00 0.41 0.00 -0.02 0.00 0.00 31.44 32.49 1i48 n GLU 66 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1i48 n ARG 67 N -2.70 -0.07 0.00 3.49 3.00 -0.56 -2.67 116.66 117.15 1i48 n ARG 67 Ca 0.00 1.39 0.00 0.00 -0.00 0.00 0.00 57.85 59.24 1i48 n ARG 67 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 32.46 30.12 1i48 n ARG 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1i48 n LEU 68 N -5.32 0.20 -4.14 6.15 4.77 -1.26 -5.04 117.00 112.35 1i48 n LEU 68 Ca 0.29 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.66 1i48 n LEU 68 Cb 0.96 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1i48 n LEU 68 CO -0.04 -0.46 -0.05 -0.83 -1.33 0.00 0.00 177.39 174.68 1i48 s GLY 69 N -1.83 1.34 0.00 -0.72 0.00 -1.09 -5.07 107.32 99.95 1i48 s GLY 69 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1i48 s GLY 69 CO 0.00 -1.14 0.00 0.54 0.00 0.00 0.00 173.10 172.50 1i48 n ARG 70 N -0.40 0.25 -1.24 2.90 1.74 -1.26 -3.73 116.66 114.93 1i48 n ARG 70 Ca 0.02 -0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.01 1i48 n ARG 70 Cb 0.64 -0.06 -0.04 0.00 -1.02 0.00 0.00 32.46 31.98 1i48 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i48 n GLY 71 N 0.04 0.89 0.00 -0.13 0.00 -1.26 -4.71 105.19 100.02 1i48 n GLY 71 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1i48 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i48 n ILE 72 N -2.40 0.28 -0.13 -0.61 0.00 -1.26 -5.09 119.36 110.15 1i48 n ILE 72 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 62.75 62.37 1i48 n ILE 72 Cb 0.45 0.97 0.00 0.00 0.00 0.00 0.00 39.64 41.06 1i48 n ILE 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1i48 n VAL 73 N -0.14 0.00 -3.58 9.51 0.31 -1.26 -5.03 118.33 118.14 1i48 n VAL 73 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1i48 n VAL 73 Cb 0.38 -0.07 -0.06 0.00 -0.91 0.00 0.00 33.84 33.17 1i48 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i48 s THR 74 N 0.00 0.00 -1.80 2.52 -4.23 -1.26 -5.00 115.64 105.87 1i48 s THR 74 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1i48 s THR 74 Cb 0.00 -1.00 0.16 0.00 1.34 0.00 0.00 72.50 73.00 1i48 s THR 74 CO 0.00 0.00 1.07 -0.90 -0.54 0.00 0.00 174.62 174.25 1i48 n ASP 75 N 1.33 1.13 -4.80 3.99 5.68 -1.26 -4.85 116.55 117.77 1i48 n ASP 75 Ca -0.13 -2.04 -0.36 0.00 -0.50 0.00 0.00 54.79 51.76 1i48 n ASP 75 Cb 0.57 -0.19 -0.06 0.00 -1.14 0.00 0.00 41.12 40.30 1i48 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i48 s ALA 76 N -1.71 3.28 0.01 2.12 0.00 -1.26 -4.99 121.76 119.21 1i48 s ALA 76 Ca 0.12 0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 1i48 s ALA 76 Cb 0.07 -3.00 -0.17 0.00 0.00 0.00 0.00 23.12 20.01 1i48 s ALA 76 CO 0.07 0.24 1.27 0.82 0.00 0.00 0.00 175.76 178.17 1i48 h ILE 77 N 2.53 1.39 -3.96 0.00 5.03 -2.04 -3.46 117.51 117.00 1i48 h ILE 77 Ca -0.48 -1.38 -0.47 0.00 -0.12 0.00 0.00 64.86 62.41 1i48 h ILE 77 Cb 1.19 2.10 0.08 0.00 -3.03 0.00 0.00 36.82 37.15 1i48 h ILE 77 CO 0.65 0.39 0.27 0.42 -0.68 0.00 0.00 178.15 179.19 1i48 s THR 78 N -4.09 2.76 -0.08 -0.27 -4.23 -1.26 -4.99 115.64 103.48 1i48 s THR 78 Ca -0.15 -0.05 -0.26 0.00 -1.18 0.00 0.00 61.69 60.04 1i48 s THR 78 Cb 0.04 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1i48 s THR 78 CO 0.73 -0.21 0.84 -0.89 -0.54 0.00 0.00 174.62 174.56 1i48 s THR 79 N -3.24 4.93 0.48 3.99 2.01 -1.26 -5.03 115.64 117.52 1i48 s THR 79 Ca 0.58 1.72 -0.22 0.00 0.31 0.00 0.00 61.69 64.09 1i48 s THR 79 Cb -0.11 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 1i48 s THR 79 CO 0.46 0.14 1.13 -2.16 -0.69 0.00 0.00 174.62 173.50 1i48 s PRO 80 N 1.36 3.67 -0.46 4.92 0.04 -1.26 -4.99 135.00 138.28 1i48 s PRO 80 Ca 0.43 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.93 1i48 s PRO 80 Cb -0.18 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 32.14 1i48 s PRO 80 CO 0.19 -0.60 0.55 0.08 0.04 0.00 0.00 177.00 177.26 1i48 s VAL 81 N -1.68 4.96 -0.46 -0.36 1.01 -1.26 -4.55 120.40 118.06 1i48 s VAL 81 Ca 0.66 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 1i48 s VAL 81 Cb -0.25 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 31.98 1i48 s VAL 81 CO 0.30 -0.61 0.74 -0.69 0.00 0.00 0.00 175.10 174.84 1i48 s VAL 82 N 2.44 4.70 -1.08 2.92 1.01 -1.26 -4.98 120.40 124.15 1i48 s VAL 82 Ca 0.15 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 1i48 s VAL 82 Cb -0.17 -4.30 0.30 0.00 0.00 0.00 0.00 36.38 32.21 1i48 s VAL 82 CO 0.14 -0.72 1.54 0.59 0.00 0.00 0.00 175.10 176.65 1i48 n ASN 83 N 6.59 6.50 -4.44 3.32 3.02 -1.26 -4.76 115.26 124.22 1i48 n ASN 83 Ca 0.00 -3.43 -0.29 0.00 -0.03 0.00 0.00 54.58 50.82 1i48 n ASN 83 Cb 0.48 -1.27 -0.12 0.00 -0.61 0.00 0.00 39.78 38.26 1i48 n ASN 83 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i48 s THR 84 N -2.85 2.58 -0.78 3.41 -1.32 -1.26 -5.01 115.64 110.42 1i48 s THR 84 Ca 0.32 -1.58 0.22 0.00 -1.21 0.00 0.00 61.69 59.44 1i48 s THR 84 Cb 0.07 -2.16 -0.19 0.00 -1.51 0.00 0.00 72.50 68.70 1i48 s THR 84 CO 0.08 0.12 0.92 -1.54 -2.21 0.00 0.00 174.62 171.99 1i48 n SER 85 N 0.92 0.72 -3.30 8.08 3.41 -1.26 -4.76 113.62 117.42 1i48 n SER 85 Ca -0.17 -0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 57.77 1i48 n SER 85 Cb 0.53 1.02 0.01 0.00 -0.26 0.00 0.00 64.21 65.50 1i48 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i48 s ALA 86 N -3.12 -0.99 -0.02 7.33 0.00 -1.26 -2.60 121.76 121.10 1i48 s ALA 86 Ca 0.05 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1i48 s ALA 86 Cb 0.16 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 1i48 s ALA 86 CO 0.84 -1.01 -0.11 0.71 0.00 0.00 0.00 175.76 176.19 1i48 s TYR 87 N -2.88 1.05 0.59 0.00 1.51 -1.10 -4.85 117.35 111.66 1i48 s TYR 87 Ca 0.14 -0.23 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1i48 s TYR 87 Cb -0.05 -0.70 0.08 0.00 -0.11 0.00 0.00 41.96 41.18 1i48 s TYR 87 CO 0.09 -0.06 0.82 -0.59 -1.11 0.00 0.00 175.55 174.70 1i48 s PHE 88 N -0.05 1.86 0.03 2.71 -0.12 -1.26 -4.81 117.98 116.33 1i48 s PHE 88 Ca 0.01 -0.45 0.05 0.00 -0.05 0.00 0.00 56.93 56.48 1i48 s PHE 88 Cb -0.07 -2.54 -0.02 0.00 -0.63 0.00 0.00 43.02 39.76 1i48 s PHE 88 CO 0.00 -1.18 -0.14 -0.06 -0.05 0.00 0.00 175.22 173.80 1i48 s PHE 89 N -2.77 1.20 0.15 3.49 0.40 -1.26 -5.05 117.98 114.14 1i48 s PHE 89 Ca 0.62 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 56.51 1i48 s PHE 89 Cb -0.07 -0.73 0.03 0.00 0.51 0.00 0.00 43.02 42.76 1i48 s PHE 89 CO 0.40 0.02 1.61 -0.91 0.70 0.00 0.00 175.22 177.04 1i48 h ASN 90 N 5.16 0.87 -5.01 1.36 2.35 -2.00 -3.46 115.58 114.86 1i48 h ASN 90 Ca -0.37 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.01 1i48 h ASN 90 Cb 1.18 -0.23 -0.18 0.00 0.05 0.00 0.00 38.32 39.13 1i48 h ASN 90 CO 0.45 0.96 -0.01 -1.59 -1.65 0.00 0.00 177.43 175.59 1i48 s LYS 91 N -5.05 0.93 0.30 0.81 -2.85 -1.26 -5.05 119.74 107.57 1i48 s LYS 91 Ca -0.12 -0.06 0.06 0.00 -1.00 0.00 0.00 55.97 54.84 1i48 s LYS 91 Cb 0.12 0.43 0.80 0.00 -2.06 0.00 0.00 37.83 37.12 1i48 s LYS 91 CO 0.82 -0.30 1.68 1.15 0.10 0.00 0.00 175.35 178.80 1i48 h THR 92 N 3.18 0.40 -0.95 3.79 2.02 -1.99 0.39 112.91 119.74 1i48 h THR 92 Ca -0.29 -0.12 0.20 0.00 0.77 0.00 0.00 66.41 66.97 1i48 h THR 92 Cb 1.18 0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 67.53 1i48 h THR 92 CO 0.40 0.06 0.61 0.77 0.37 0.00 0.00 175.52 177.74 1i48 h SER 93 N 0.35 0.55 -0.01 4.18 4.64 -1.99 0.12 113.55 121.39 1i48 h SER 93 Ca 0.60 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.97 1i48 h SER 93 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1i48 h SER 93 CO -0.57 0.21 -0.03 -0.33 -0.87 0.00 0.00 176.83 175.24 1i48 h GLU 94 N 0.55 0.03 -0.87 4.77 5.08 -0.66 -2.44 114.58 121.04 1i48 h GLU 94 Ca 0.52 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 59.03 1i48 h GLU 94 Cb 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1i48 h GLU 94 CO -0.26 0.65 0.43 1.25 -1.00 0.00 0.00 179.01 180.08 1i48 h LEU 95 N -0.58 0.48 0.14 1.33 5.85 -0.68 0.33 115.31 122.18 1i48 h LEU 95 Ca -0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1i48 h LEU 95 Cb 0.65 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1i48 h LEU 95 CO 0.01 0.16 -0.07 0.40 -0.34 0.00 0.00 178.44 178.60 1i48 h ILE 96 N 0.56 0.87 -0.45 4.05 2.04 -0.80 -0.23 117.51 123.56 1i48 h ILE 96 Ca 0.50 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.42 1i48 h ILE 96 Cb 0.79 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 1i48 h ILE 96 CO -0.41 0.01 -0.09 0.44 0.00 0.00 0.00 178.15 178.10 1i48 h ASP 97 N -0.20 -0.36 0.06 1.72 3.32 -0.49 0.61 116.42 121.08 1i48 h ASP 97 Ca -0.02 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1i48 h ASP 97 Cb 0.15 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1i48 h ASP 97 CO 0.03 -0.13 -0.06 0.15 -1.72 0.00 0.00 179.24 177.51 1i48 h PHE 98 N 0.02 -0.16 0.00 4.55 3.57 -0.85 0.83 116.94 124.90 1i48 h PHE 98 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1i48 h PHE 98 Cb 0.33 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1i48 h PHE 98 CO -0.37 -0.10 -0.05 0.87 -2.23 0.00 0.00 178.31 176.43 1i48 h LYS 99 N -0.14 0.00 -0.48 1.11 1.79 -0.17 0.26 116.57 118.94 1i48 h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1i48 h LYS 99 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1i48 h LYS 99 CO -0.02 0.05 0.00 0.39 -1.08 0.00 0.00 179.45 178.79 1i48 n GLU 100 N -4.17 2.17 -3.45 3.15 -0.58 0.21 -4.92 120.64 113.06 1i48 n GLU 100 Ca -0.03 -1.58 -0.18 0.00 -0.42 0.00 0.00 57.16 54.96 1i48 n GLU 100 Cb 0.13 -1.42 0.09 0.00 -0.57 0.00 0.00 31.44 29.67 1i48 n GLU 100 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i48 n LYS 101 N 0.70 -6.76 0.00 3.49 4.01 0.91 -4.91 118.16 115.59 1i48 n LYS 101 Ca 0.15 0.85 0.00 0.00 -0.51 0.00 0.00 58.31 58.79 1i48 n LYS 101 Cb 0.42 -5.87 0.00 0.00 -0.51 0.00 0.00 35.03 29.07 1i48 n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1i48 n ARG 102 N -4.22 6.21 -4.34 1.97 1.74 0.28 -4.98 116.66 113.32 1i48 n ARG 102 Ca -0.26 -0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.63 1i48 n ARG 102 Cb 0.66 -0.49 -0.10 0.00 -1.02 0.00 0.00 32.46 31.51 1i48 n ARG 102 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i48 s ARG 103 N -0.89 1.46 -0.09 5.56 3.52 -1.20 -4.84 118.95 122.46 1i48 s ARG 103 Ca 0.00 -1.79 0.02 0.00 -0.13 0.00 0.00 55.73 53.83 1i48 s ARG 103 Cb 0.00 -0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.01 1i48 s ARG 103 CO 0.00 -0.28 -0.17 0.00 -0.81 0.00 0.00 175.30 174.05 1i48 s ALA 104 N -3.67 2.51 -0.21 6.12 0.00 -1.26 -4.63 121.76 120.62 1i48 s ALA 104 Ca 0.38 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 51.08 1i48 s ALA 104 Cb 0.08 -1.02 0.15 0.00 0.00 0.00 0.00 23.12 22.34 1i48 s ALA 104 CO 0.14 0.36 1.19 0.45 0.00 0.00 0.00 175.76 177.90 1i48 s SER 105 N -0.01 -0.17 0.35 0.00 0.15 -1.26 -5.03 113.70 107.72 1i48 s SER 105 Ca -0.05 0.13 0.23 0.00 0.70 0.00 0.00 55.95 56.96 1i48 s SER 105 Cb -0.14 0.16 0.25 0.00 -1.71 0.00 0.00 66.02 64.58 1i48 s SER 105 CO 0.04 -0.21 1.43 -0.26 1.20 0.00 0.00 173.24 175.45 1i48 h PHE 106 N 2.17 0.00 0.00 3.44 0.04 -1.93 -3.48 116.94 117.19 1i48 h PHE 106 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1i48 h PHE 106 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1i48 h PHE 106 CO 0.25 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 176.05 1i48 n GLU 107 N -2.91 0.00 -4.33 1.51 2.13 -1.26 -4.46 120.64 111.32 1i48 n GLU 107 Ca 0.03 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.61 1i48 n GLU 107 Cb 0.53 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.12 1i48 n GLU 107 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1i48 s TYR 108 N 0.00 1.91 0.60 4.31 5.04 -1.26 -2.73 117.35 125.22 1i48 s TYR 108 Ca 0.00 -0.43 0.31 0.00 -2.44 0.00 0.00 57.07 54.51 1i48 s TYR 108 Cb 0.00 -0.99 1.81 0.00 0.35 0.00 0.00 41.96 43.13 1i48 s TYR 108 CO 0.00 0.31 2.20 0.78 -1.34 0.00 0.00 175.55 177.49 1i48 h GLY 109 N 3.59 0.00 1.91 8.97 0.00 -1.72 0.97 103.07 116.79 1i48 h GLY 109 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1i48 h GLY 109 CO 0.46 0.00 -0.07 -0.09 0.00 0.00 0.00 176.54 176.83 1i48 h ARG 110 N 0.00 0.00 -0.29 4.80 2.43 -1.91 -3.16 114.38 116.24 1i48 h ARG 110 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1i48 h ARG 110 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1i48 h ARG 110 CO -0.00 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 1i48 n TYR 111 N -2.43 0.38 0.00 2.20 4.01 0.33 -4.74 117.16 116.91 1i48 n TYR 111 Ca 0.05 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1i48 n TYR 111 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 1i48 n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i48 n GLY 112 N 1.32 1.16 3.64 2.72 0.00 -1.19 -4.88 105.19 107.96 1i48 n GLY 112 Ca 0.18 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 1i48 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i48 s ASN 113 N 0.00 -0.57 0.29 1.61 3.84 -1.26 -4.46 114.94 114.39 1i48 s ASN 113 Ca 0.00 0.96 0.02 0.00 0.21 0.00 0.00 52.86 54.05 1i48 s ASN 113 Cb 0.00 1.16 0.59 0.00 -0.55 0.00 0.00 41.25 42.45 1i48 s ASN 113 CO 0.00 -0.16 1.85 1.55 -2.79 0.00 0.00 177.10 177.55 1i48 h PRO 114 N 5.73 0.93 0.00 0.43 0.13 -1.97 0.13 132.00 137.38 1i48 h PRO 114 Ca -0.28 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.71 1i48 h PRO 114 Cb 1.19 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1i48 h PRO 114 CO 0.16 0.62 -0.39 0.00 -0.23 0.00 0.00 178.00 178.16 1i48 h THR 115 N 0.96 1.20 0.00 1.56 1.03 -1.89 -3.22 112.91 112.54 1i48 h THR 115 Ca 0.48 -1.39 -0.01 0.00 -0.01 0.00 0.00 66.41 65.48 1i48 h THR 115 Cb 0.49 1.77 -0.00 0.00 -1.07 0.00 0.00 68.15 69.34 1i48 h THR 115 CO -0.25 0.39 -0.07 0.74 -0.01 0.00 0.00 175.52 176.32 1i48 h THR 116 N 0.00 1.16 -1.41 0.00 2.02 -1.27 -3.33 112.91 110.08 1i48 h THR 116 Ca -0.00 -1.89 0.43 0.00 0.77 0.00 0.00 66.41 65.71 1i48 h THR 116 Cb 0.73 2.21 -0.10 0.00 -1.74 0.00 0.00 68.15 69.26 1i48 h THR 116 CO 0.05 0.39 0.96 -0.37 0.37 0.00 0.00 175.52 176.93 1i48 h VAL 117 N -1.00 0.21 0.39 3.16 -1.51 -0.92 0.45 116.25 117.03 1i48 h VAL 117 Ca -0.02 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 1i48 h VAL 117 Cb 0.69 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1i48 h VAL 117 CO -0.01 0.02 -0.25 0.58 -1.23 0.00 0.00 177.57 176.68 1i48 h VAL 118 N 0.09 0.00 -0.91 7.19 2.07 -1.66 0.61 116.25 123.64 1i48 h VAL 118 Ca 0.77 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.49 1i48 h VAL 118 Cb 2.65 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 1i48 h VAL 118 CO -0.22 0.00 0.60 0.25 0.02 0.00 0.00 177.57 178.22 1i48 h LEU 119 N -0.60 0.41 0.77 2.57 5.85 -0.40 0.31 115.31 124.22 1i48 h LEU 119 Ca -0.05 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1i48 h LEU 119 Cb 0.49 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1i48 h LEU 119 CO 0.05 0.16 -0.37 -0.33 -0.34 0.00 0.00 178.44 177.60 1i48 h GLU 120 N 0.41 -1.00 -0.99 1.25 5.08 0.27 -2.02 114.58 117.58 1i48 h GLU 120 Ca 0.48 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.94 1i48 h GLU 120 Cb 1.19 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1i48 h GLU 120 CO -0.18 -0.65 0.65 0.93 -1.00 0.00 0.00 179.01 178.76 1i48 h GLU 121 N -1.14 1.22 0.24 2.33 5.08 0.15 -1.28 114.58 121.18 1i48 h GLU 121 Ca -0.11 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1i48 h GLU 121 Cb 0.81 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1i48 h GLU 121 CO 0.17 0.81 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.27 1i48 h LYS 122 N 1.26 -0.78 -0.46 2.33 3.64 -0.31 -0.13 116.57 122.11 1i48 h LYS 122 Ca 0.40 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.86 1i48 h LYS 122 Cb 0.00 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1i48 h LYS 122 CO -0.12 -0.52 0.25 0.82 -2.27 0.00 0.00 179.45 177.60 1i48 h ILE 123 N -0.81 0.99 -0.75 2.00 2.04 -1.15 -1.70 117.51 118.12 1i48 h ILE 123 Ca -0.02 -0.17 0.16 0.00 1.00 0.00 0.00 64.86 65.84 1i48 h ILE 123 Cb 0.78 0.46 -0.14 0.00 -0.74 0.00 0.00 36.82 37.18 1i48 h ILE 123 CO -0.21 0.09 -0.09 0.28 0.00 0.00 0.00 178.15 178.22 1i48 h SER 124 N 0.49 -0.52 -0.08 1.72 0.02 -0.63 0.13 113.55 114.68 1i48 h SER 124 Ca 0.20 0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1i48 h SER 124 Cb 0.08 0.40 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1i48 h SER 124 CO -0.12 -0.22 0.04 0.00 -1.14 0.00 0.00 176.83 175.38 1i48 h ALA 125 N 1.73 0.10 0.33 3.77 0.00 -0.19 0.61 119.26 125.61 1i48 h ALA 125 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1i48 h ALA 125 Cb 0.65 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1i48 h ALA 125 CO -0.72 -0.34 -0.37 -0.07 0.00 0.00 0.00 179.25 177.75 1i48 h LEU 126 N 0.00 -1.02 0.00 0.00 3.38 -0.19 0.49 115.31 117.98 1i48 h LEU 126 Ca 0.03 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i48 h LEU 126 Cb 0.12 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1i48 h LEU 126 CO -0.00 -0.51 0.00 -0.62 0.09 0.00 0.00 178.44 177.40 1i48 n GLU 127 N -5.47 0.10 -3.46 1.13 -0.58 0.25 -4.85 120.64 107.75 1i48 n GLU 127 Ca -0.09 0.21 -0.19 0.00 -0.42 0.00 0.00 57.16 56.66 1i48 n GLU 127 Cb 0.37 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.83 1i48 n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i48 n GLY 128 N -0.04 -0.40 3.88 0.62 0.00 0.37 -4.77 105.19 104.85 1i48 n GLY 128 Ca 0.05 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1i48 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 s ALA 129 N -3.34 4.16 0.05 4.61 0.00 0.19 -4.93 121.76 122.49 1i48 s ALA 129 Ca 0.16 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 1i48 s ALA 129 Cb -0.07 -0.91 -0.24 0.00 0.00 0.00 0.00 23.12 21.90 1i48 s ALA 129 CO 0.72 -0.32 1.14 1.49 0.00 0.00 0.00 175.76 178.79 1i48 h GLU 130 N 0.93 0.60 -2.36 0.00 4.81 -1.84 -3.42 114.58 113.30 1i48 h GLU 130 Ca -0.39 -0.67 -0.04 0.00 -0.13 0.00 0.00 59.36 58.12 1i48 h GLU 130 Cb 1.28 0.20 -0.16 0.00 0.63 0.00 0.00 28.75 30.69 1i48 h GLU 130 CO 0.57 1.27 0.20 0.45 -0.73 0.00 0.00 179.01 180.78 1i48 s SER 131 N -7.14 -0.62 0.06 1.04 0.15 -0.70 -4.82 113.70 101.66 1i48 s SER 131 Ca -0.11 0.45 0.05 0.00 0.70 0.00 0.00 55.95 57.05 1i48 s SER 131 Cb 0.06 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1i48 s SER 131 CO 0.89 -0.74 -0.15 -0.89 1.20 0.00 0.00 173.24 173.55 1i48 s THR 132 N -2.13 1.20 0.09 6.45 2.01 -1.26 -0.87 115.64 121.14 1i48 s THR 132 Ca -0.06 -1.16 0.10 0.00 0.31 0.00 0.00 61.69 60.87 1i48 s THR 132 Cb -0.00 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1i48 s THR 132 CO 0.01 -0.06 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.42 1i48 s LEU 133 N -1.40 2.36 -0.15 4.42 2.96 0.22 -4.85 118.68 122.24 1i48 s LEU 133 Ca 0.01 -0.65 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 1i48 s LEU 133 Cb -0.09 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.31 1i48 s LEU 133 CO 0.02 0.21 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.36 1i48 s LEU 134 N -1.77 1.69 0.00 -0.68 1.43 -1.26 -1.23 118.68 116.86 1i48 s LEU 134 Ca 0.14 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1i48 s LEU 134 Cb -0.10 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.96 1i48 s LEU 134 CO 0.05 -0.06 0.17 0.23 0.23 0.00 0.00 176.35 176.97 1i48 n MET 135 N 4.77 0.81 0.08 1.70 2.81 0.63 -4.34 117.12 123.58 1i48 n MET 135 Ca -0.17 -0.59 0.12 0.00 -1.81 0.00 0.00 57.70 55.25 1i48 n MET 135 Cb 0.50 -0.07 0.23 0.00 -0.71 0.00 0.00 33.22 33.17 1i48 n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i48 h ALA 136 N 0.19 0.69 -1.40 3.04 0.00 -1.57 -3.17 119.26 117.04 1i48 h ALA 136 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1i48 h ALA 136 Cb 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.77 1i48 h ALA 136 CO 0.07 0.00 0.66 -1.54 0.00 0.00 0.00 179.25 178.44 1i48 s SER 137 N -4.37 -0.28 0.25 0.00 1.04 -1.26 -3.07 113.70 106.01 1i48 s SER 137 Ca 0.07 0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.78 1i48 s SER 137 Cb 0.13 0.34 0.37 0.00 0.10 0.00 0.00 66.02 66.96 1i48 s SER 137 CO 0.69 -0.19 1.58 1.23 0.98 0.00 0.00 173.24 177.53 1i48 h GLY 138 N 2.88 0.56 -0.13 7.32 0.00 -1.85 0.65 103.07 112.51 1i48 h GLY 138 Ca -0.19 0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.56 1i48 h GLY 138 CO 0.23 -0.32 -0.17 -0.33 0.00 0.00 0.00 176.54 175.95 1i48 h MET 139 N -0.01 -0.04 0.08 4.80 2.86 -1.96 0.49 114.93 121.16 1i48 h MET 139 Ca 0.41 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.07 1i48 h MET 139 Cb 0.64 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.26 1i48 h MET 139 CO -0.91 -0.03 -0.53 0.00 1.06 0.00 0.00 176.91 176.50 1i48 n ALA 141 N -2.94 -0.03 -0.12 0.00 0.00 0.02 0.63 120.51 118.07 1i48 n ALA 141 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 1i48 n ALA 141 Cb 0.41 0.36 -0.02 0.00 0.00 0.00 0.00 19.45 20.20 1i48 n ALA 141 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1i48 h SER 142 N 0.00 -1.17 -0.59 0.00 4.64 -1.11 0.15 113.55 115.47 1i48 h SER 142 Ca 0.00 0.20 0.09 0.00 -0.47 0.00 0.00 61.79 61.60 1i48 h SER 142 Cb 0.00 0.54 -0.11 0.00 -0.31 0.00 0.00 62.40 62.52 1i48 h SER 142 CO 0.00 -0.33 -0.45 0.74 -0.87 0.00 0.00 176.83 175.91 1i48 h THR 143 N -0.27 0.07 0.52 2.95 2.02 -0.08 -0.36 112.91 117.76 1i48 h THR 143 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1i48 h THR 143 Cb 0.55 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1i48 h THR 143 CO -0.55 0.00 -0.28 0.58 0.37 0.00 0.00 175.52 175.64 1i48 h VAL 144 N -0.23 0.00 -0.71 3.16 2.07 0.11 -2.89 116.25 117.75 1i48 h VAL 144 Ca 0.17 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.93 1i48 h VAL 144 Cb 0.56 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.20 1i48 h VAL 144 CO -0.70 0.00 0.15 0.80 0.02 0.00 0.00 177.57 177.84 1i48 n MET 145 N -4.09 -0.05 0.27 1.57 1.56 0.44 0.12 117.12 116.94 1i48 n MET 145 Ca -0.09 1.04 -0.11 0.00 -0.27 0.00 0.00 57.70 58.27 1i48 n MET 145 Cb 0.30 -1.73 -0.05 0.00 2.15 0.00 0.00 33.22 33.89 1i48 n MET 145 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1i48 h LEU 146 N 0.00 -0.60 -2.05 -0.89 3.38 -0.91 -0.57 115.31 113.66 1i48 h LEU 146 Ca 0.50 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.56 1i48 h LEU 146 Cb 1.15 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1i48 h LEU 146 CO -0.63 -0.38 0.36 -0.07 0.09 0.00 0.00 178.44 177.81 1i48 h LEU 147 N -0.80 0.00 0.02 1.67 3.38 -0.37 0.38 115.31 119.59 1i48 h LEU 147 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1i48 h LEU 147 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1i48 h LEU 147 CO 0.12 0.00 -0.47 0.00 0.09 0.00 0.00 178.44 178.17 1i48 h ALA 148 N 1.52 0.04 0.04 1.53 0.00 -0.02 -3.41 119.26 118.96 1i48 h ALA 148 Ca 0.12 -0.54 -0.35 0.00 0.00 0.00 0.00 54.91 54.13 1i48 h ALA 148 Cb 0.84 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1i48 h ALA 148 CO -0.00 0.24 -2.00 1.28 0.00 0.00 0.00 179.25 178.77 1i48 n LEU 149 N -4.33 2.35 -4.64 0.00 4.77 -0.25 -4.89 117.00 110.02 1i48 n LEU 149 Ca -0.11 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 1i48 n LEU 149 Cb 0.62 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1i48 n LEU 149 CO 0.44 0.65 1.33 -0.69 -1.33 0.00 0.00 177.39 177.79 1i48 s VAL 150 N -2.49 3.77 1.01 4.08 1.01 0.04 -5.00 120.40 122.82 1i48 s VAL 150 Ca -0.30 0.88 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 1i48 s VAL 150 Cb 0.09 -3.74 0.20 0.00 0.00 0.00 0.00 36.38 32.93 1i48 s VAL 150 CO 0.63 -0.27 1.14 -2.84 0.00 0.00 0.00 175.10 173.76 1i48 s PRO 151 N 4.45 0.29 0.42 2.72 0.02 -1.26 -4.74 135.00 136.91 1i48 s PRO 151 Ca 0.69 0.19 -0.25 0.00 0.02 0.00 0.00 61.00 61.65 1i48 s PRO 151 Cb -0.25 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 1i48 s PRO 151 CO 0.27 -2.75 1.27 0.00 -0.33 0.00 0.00 177.00 175.46 1i48 s ALA 152 N -3.18 3.18 0.00 -1.55 0.00 -1.26 -2.08 121.76 116.87 1i48 s ALA 152 Ca 0.67 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1i48 s ALA 152 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1i48 s ALA 152 CO 0.55 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1i48 n GLY 153 N 0.65 0.14 3.66 0.00 0.00 -0.58 -4.94 105.19 104.12 1i48 n GLY 153 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1i48 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i48 s GLY 154 N -2.00 1.64 0.04 -0.02 0.00 -0.88 -4.67 107.32 101.43 1i48 s GLY 154 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 44.72 43.66 1i48 s GLY 154 CO 0.00 -0.21 -0.15 -1.58 0.00 0.00 0.00 173.10 171.16 1i48 s HIS 155 N -3.23 1.32 0.02 1.90 5.65 -1.26 -1.72 115.29 117.97 1i48 s HIS 155 Ca 0.73 -0.36 0.01 0.00 0.25 0.00 0.00 55.06 55.69 1i48 s HIS 155 Cb -0.07 -0.78 -0.02 0.00 -1.18 0.00 0.00 32.58 30.53 1i48 s HIS 155 CO 0.55 0.05 -0.05 -1.50 -0.65 0.00 0.00 174.74 173.14 1i48 s ILE 156 N -0.87 0.29 -0.08 0.89 2.07 -0.75 0.47 121.20 123.22 1i48 s ILE 156 Ca 0.02 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.50 1i48 s ILE 156 Cb -0.08 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.11 1i48 s ILE 156 CO 0.01 -0.32 -0.12 -0.69 -1.91 0.00 0.00 174.94 171.91 1i48 s VAL 157 N -1.10 3.24 0.02 4.00 1.01 -0.34 -1.26 120.40 125.96 1i48 s VAL 157 Ca -0.10 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1i48 s VAL 157 Cb -0.08 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1i48 s VAL 157 CO -0.00 0.57 0.31 0.28 0.00 0.00 0.00 175.10 176.26 1i48 s THR 158 N -0.46 0.07 0.71 3.92 -1.32 -0.49 0.30 115.64 118.36 1i48 s THR 158 Ca 0.06 -0.59 -0.11 0.00 -1.21 0.00 0.00 61.69 59.83 1i48 s THR 158 Cb -0.12 -0.80 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1i48 s THR 158 CO 0.02 -0.33 1.07 0.42 -2.21 0.00 0.00 174.62 173.59 1i48 s THR 159 N -2.03 3.80 0.04 5.08 -4.23 -1.25 -1.63 115.64 115.43 1i48 s THR 159 Ca -0.09 0.61 -0.27 0.00 -1.18 0.00 0.00 61.69 60.77 1i48 s THR 159 Cb -0.03 -3.26 -0.17 0.00 1.34 0.00 0.00 72.50 70.38 1i48 s THR 159 CO -0.00 -0.74 1.45 0.71 -0.54 0.00 0.00 174.62 175.50 1i48 h THR 160 N -0.71 0.67 -2.27 3.99 1.35 -0.81 -3.40 112.91 111.74 1i48 h THR 160 Ca -0.44 -0.33 -0.57 0.00 -0.55 0.00 0.00 66.41 64.52 1i48 h THR 160 Cb 1.22 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1i48 h THR 160 CO 0.55 0.07 1.40 -1.81 -0.25 0.00 0.00 175.52 175.48 1i48 s ASP 161 N -4.92 5.57 0.18 5.36 1.11 -1.26 -4.93 116.67 117.77 1i48 s ASP 161 Ca -0.15 1.51 -0.01 0.00 0.18 0.00 0.00 52.55 54.07 1i48 s ASP 161 Cb 0.03 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 1i48 s ASP 161 CO 0.59 -1.93 0.12 0.00 1.18 0.00 0.00 175.17 175.13 1i48 s TYR 163 N -4.12 3.12 0.04 0.00 5.04 -1.26 -4.85 117.35 115.31 1i48 s TYR 163 Ca 0.34 1.22 -0.09 0.00 -2.44 0.00 0.00 57.07 56.10 1i48 s TYR 163 Cb 0.07 -3.40 -0.02 0.00 0.35 0.00 0.00 41.96 38.96 1i48 s TYR 163 CO 0.09 -1.21 0.55 -2.13 -1.34 0.00 0.00 175.55 171.50 1i48 n ARG 164 N 5.91 -0.12 0.18 4.97 3.00 -1.26 -0.18 116.66 129.16 1i48 n ARG 164 Ca 0.12 0.54 -0.14 0.00 -0.00 0.00 0.00 57.85 58.36 1i48 n ARG 164 Cb 0.46 -0.79 -0.07 0.00 0.00 0.00 0.00 32.46 32.05 1i48 n ARG 164 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1i48 h LYS 165 N 0.00 -0.62 -1.13 -0.14 6.56 -1.98 -1.62 116.57 117.63 1i48 h LYS 165 Ca 0.04 0.04 0.31 0.00 -1.06 0.00 0.00 60.65 59.99 1i48 h LYS 165 Cb 0.11 0.14 -0.08 0.00 -0.57 0.00 0.00 32.23 31.83 1i48 h LYS 165 CO -0.26 -0.41 0.76 1.15 -2.06 0.00 0.00 179.45 178.63 1i48 h THR 166 N -0.64 0.44 0.21 -0.16 2.02 -0.95 -1.36 112.91 112.46 1i48 h THR 166 Ca -0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1i48 h THR 166 Cb 0.62 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1i48 h THR 166 CO -0.12 0.04 -0.10 -0.09 0.37 0.00 0.00 175.52 175.62 1i48 h ARG 167 N 0.21 -0.27 -0.95 6.66 2.43 -0.13 -3.13 114.38 119.20 1i48 h ARG 167 Ca 0.61 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.95 1i48 h ARG 167 Cb 1.91 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 31.36 1i48 h ARG 167 CO -0.20 -0.18 -0.37 0.82 -1.51 0.00 0.00 179.97 178.54 1i48 h ILE 168 N -0.28 0.02 -0.88 1.20 2.04 -0.99 0.25 117.51 118.86 1i48 h ILE 168 Ca -0.03 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.05 1i48 h ILE 168 Cb 0.21 0.02 -0.12 0.00 -0.74 0.00 0.00 36.82 36.19 1i48 h ILE 168 CO 0.05 0.00 0.36 0.15 0.00 0.00 0.00 178.15 178.71 1i48 h PHE 169 N -0.02 0.59 -0.07 1.37 3.57 -1.52 0.91 116.94 121.77 1i48 h PHE 169 Ca 0.35 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.70 1i48 h PHE 169 Cb 0.61 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1i48 h PHE 169 CO -0.84 -0.06 -0.75 0.82 -2.23 0.00 0.00 178.31 175.25 1i48 h ILE 170 N 0.38 1.38 -0.00 1.41 2.04 -0.53 0.30 117.51 122.48 1i48 h ILE 170 Ca 0.54 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1i48 h ILE 170 Cb 1.02 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1i48 h ILE 170 CO -0.53 0.65 -0.30 -0.62 0.00 0.00 0.00 178.15 177.35 1i48 n GLU 171 N -3.83 0.09 0.00 2.37 1.02 0.49 -4.23 120.64 116.55 1i48 n GLU 171 Ca -0.05 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1i48 n GLU 171 Cb 0.72 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1i48 n GLU 171 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i48 n THR 172 N -1.42 0.00 -0.10 2.62 -2.24 0.29 -4.85 114.28 108.57 1i48 n THR 172 Ca 0.07 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 1i48 n THR 172 Cb 0.33 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1i48 n THR 172 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i48 n ILE 173 N -1.09 1.50 -0.33 2.28 2.08 0.04 -4.47 119.36 119.38 1i48 n ILE 173 Ca 0.00 -0.01 0.15 0.00 0.56 0.00 0.00 62.75 63.45 1i48 n ILE 173 Cb 0.19 -2.20 0.34 0.00 -0.75 0.00 0.00 39.64 37.22 1i48 n ILE 173 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1i48 h LEU 174 N -1.00 0.54 -2.01 1.39 3.38 -1.59 0.15 115.31 116.16 1i48 h LEU 174 Ca -0.23 0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.99 1i48 h LEU 174 Cb 1.12 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1i48 h LEU 174 CO -0.14 0.08 0.27 1.55 0.09 0.00 0.00 178.44 180.29 1i48 h PRO 175 N 0.52 0.00 -0.59 1.13 0.13 -1.73 0.20 132.00 131.66 1i48 h PRO 175 Ca 0.60 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.76 1i48 h PRO 175 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1i48 h PRO 175 CO -0.49 0.00 0.35 0.87 -0.23 0.00 0.00 178.00 178.50 1i48 h LYS 176 N 0.00 0.67 -0.24 0.86 1.57 -0.92 0.42 116.57 118.92 1i48 h LYS 176 Ca 0.18 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1i48 h LYS 176 Cb 0.71 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1i48 h LYS 176 CO -0.00 0.44 0.00 -1.33 -0.57 0.00 0.00 179.45 177.99 1i48 n MET 177 N -4.76 0.95 -1.53 3.15 2.81 -0.07 -4.81 117.12 112.85 1i48 n MET 177 Ca 0.05 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.80 1i48 n MET 177 Cb 0.09 -1.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.43 1i48 n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i48 n GLY 178 N 0.34 1.27 3.59 3.03 0.00 0.15 -1.53 105.19 112.04 1i48 n GLY 178 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1i48 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i48 s ILE 179 N -2.56 4.72 0.15 -0.61 1.01 -0.43 -2.95 121.20 120.53 1i48 s ILE 179 Ca 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 60.65 61.60 1i48 s ILE 179 Cb 0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1i48 s ILE 179 CO 0.00 -0.42 0.37 0.28 0.00 0.00 0.00 174.94 175.17 1i48 s THR 180 N 3.13 5.19 0.06 2.92 -1.32 -0.70 -3.56 115.64 121.36 1i48 s THR 180 Ca 0.33 -0.06 -0.00 0.00 -1.21 0.00 0.00 61.69 60.74 1i48 s THR 180 Cb -0.13 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.18 1i48 s THR 180 CO 0.16 0.00 -0.04 0.00 -2.21 0.00 0.00 174.62 172.53 1i48 s ALA 181 N -1.69 0.63 -0.09 11.08 0.00 -1.26 -1.81 121.76 128.61 1i48 s ALA 181 Ca 0.40 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1i48 s ALA 181 Cb -0.12 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1i48 s ALA 181 CO 0.26 -0.32 -0.21 0.99 0.00 0.00 0.00 175.76 176.48 1i48 s THR 182 N -3.67 1.85 -0.26 0.00 2.01 -0.39 -4.95 115.64 110.23 1i48 s THR 182 Ca 0.07 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.08 1i48 s THR 182 Cb 0.06 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1i48 s THR 182 CO -0.08 0.51 0.14 -0.69 -0.69 0.00 0.00 174.62 173.81 1i48 s VAL 183 N 0.43 4.92 0.27 3.82 1.01 -1.26 -1.40 120.40 128.19 1i48 s VAL 183 Ca -0.18 0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1i48 s VAL 183 Cb -0.17 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1i48 s VAL 183 CO 0.08 0.30 -0.03 0.27 0.00 0.00 0.00 175.10 175.72 1i48 s ILE 184 N 1.58 1.39 0.34 2.22 -4.36 -0.65 -4.85 121.20 116.88 1i48 s ILE 184 Ca 0.07 -2.08 -0.27 0.00 -0.26 0.00 0.00 60.65 58.11 1i48 s ILE 184 Cb -0.15 -2.45 -0.09 0.00 1.25 0.00 0.00 42.46 41.01 1i48 s ILE 184 CO 0.07 -0.28 1.06 -0.62 0.24 0.00 0.00 174.94 175.42 1i48 s ASP 185 N -3.40 7.03 0.34 4.36 2.15 -1.26 -0.07 116.67 125.81 1i48 s ASP 185 Ca 0.30 2.13 0.10 0.00 0.43 0.00 0.00 52.55 55.50 1i48 s ASP 185 Cb 0.05 -2.60 0.84 0.00 -0.30 0.00 0.00 42.92 40.91 1i48 s ASP 185 CO 0.11 -0.30 1.80 -0.65 -0.17 0.00 0.00 175.17 175.96 1i48 h PRO 186 N 3.15 0.64 0.16 4.34 0.11 -1.94 -2.66 132.00 135.80 1i48 h PRO 186 Ca -0.47 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 65.35 1i48 h PRO 186 Cb 1.21 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 32.19 1i48 h PRO 186 CO 0.65 0.42 -1.17 0.00 -0.21 0.00 0.00 178.00 177.69 1i48 h ALA 187 N 1.63 -0.01 -0.04 -0.75 0.00 -1.92 -3.44 119.26 114.73 1i48 h ALA 187 Ca 0.55 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1i48 h ALA 187 Cb 0.99 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1i48 h ALA 187 CO -0.32 0.60 0.58 -3.47 0.00 0.00 0.00 179.25 176.65 1i48 n ASP 188 N -3.96 -0.49 0.13 0.00 -0.08 -1.00 -4.65 116.55 106.50 1i48 n ASP 188 Ca -0.18 -1.85 -0.00 0.00 -1.51 0.00 0.00 54.79 51.25 1i48 n ASP 188 Cb 0.91 -1.11 0.27 0.00 2.34 0.00 0.00 41.12 43.54 1i48 n ASP 188 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1i48 h VAL 189 N 6.89 1.31 0.30 5.18 2.07 -1.84 -3.10 116.25 127.06 1i48 h VAL 189 Ca 0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1i48 h VAL 189 Cb 1.00 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1i48 h VAL 189 CO 1.02 0.43 -0.34 1.23 0.02 0.00 0.00 177.57 179.93 1i48 h GLY 190 N 1.24 -0.76 -0.25 2.17 0.00 -1.97 0.61 103.07 104.11 1i48 h GLY 190 Ca 0.01 0.39 0.15 0.00 0.00 0.00 0.00 47.33 47.88 1i48 h GLY 190 CO 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 176.54 176.30 1i48 h ALA 191 N -0.17 0.67 0.37 3.60 0.00 -1.93 0.72 119.26 122.53 1i48 h ALA 191 Ca -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1i48 h ALA 191 Cb 0.63 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1i48 h ALA 191 CO -0.08 -0.41 -0.30 1.25 0.00 0.00 0.00 179.25 179.70 1i48 h LEU 192 N 0.09 -0.79 -0.99 0.00 5.85 -1.37 0.32 115.31 118.42 1i48 h LEU 192 Ca 0.37 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.23 1i48 h LEU 192 Cb 0.62 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 1i48 h LEU 192 CO -0.62 -0.45 0.63 -0.08 -0.34 0.00 0.00 178.44 177.58 1i48 h GLU 193 N -0.68 1.06 0.30 1.25 4.81 0.70 0.44 114.58 122.46 1i48 h GLU 193 Ca -0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1i48 h GLU 193 Cb 0.59 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1i48 h GLU 193 CO -0.02 0.70 -0.14 1.25 -0.73 0.00 0.00 179.01 180.07 1i48 h LEU 194 N 1.09 -0.34 -1.29 1.64 5.85 0.97 -2.94 115.31 120.29 1i48 h LEU 194 Ca 0.45 0.01 0.25 0.00 0.84 0.00 0.00 57.88 59.43 1i48 h LEU 194 Cb 0.28 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 1i48 h LEU 194 CO -0.21 -0.23 0.65 0.00 -0.34 0.00 0.00 178.44 178.31 1i48 h ALA 195 N -1.79 2.11 -0.40 1.25 0.00 -0.18 0.81 119.26 121.07 1i48 h ALA 195 Ca -0.04 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1i48 h ALA 195 Cb 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1i48 h ALA 195 CO 0.07 -0.50 0.39 1.25 0.00 0.00 0.00 179.25 180.45 1i48 h LEU 196 N 0.46 0.00 0.01 0.00 7.12 0.05 -2.65 115.31 120.30 1i48 h LEU 196 Ca 0.59 0.00 -0.42 0.00 0.13 0.00 0.00 57.88 58.18 1i48 h LEU 196 Cb 1.36 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.43 1i48 h LEU 196 CO -0.31 0.00 -2.42 0.59 -0.13 0.00 0.00 178.44 176.17 1i48 n ASN 197 N -3.85 1.97 -0.00 1.25 3.02 0.27 -4.65 115.26 113.26 1i48 n ASN 197 Ca 0.07 0.16 -0.05 0.00 -0.03 0.00 0.00 54.58 54.73 1i48 n ASN 197 Cb 0.57 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1i48 n ASN 197 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1i48 h GLN 198 N -0.58 -0.18 0.00 3.52 4.20 -0.88 -3.44 115.11 117.75 1i48 h GLN 198 Ca -0.63 0.01 -0.48 0.00 0.06 0.00 0.00 58.65 57.62 1i48 h GLN 198 Cb 1.72 0.04 0.01 0.00 0.30 0.00 0.00 27.48 29.55 1i48 h GLN 198 CO -0.27 -0.12 -0.12 1.63 -0.67 0.00 0.00 178.83 179.29 1i48 n LYS 199 N -3.49 0.66 -3.46 1.46 4.01 -1.03 -5.06 118.16 111.25 1i48 n LYS 199 Ca -0.02 -3.02 -0.43 0.00 -0.51 0.00 0.00 58.31 54.33 1i48 n LYS 199 Cb 0.12 -0.06 -0.04 0.00 -0.51 0.00 0.00 35.03 34.54 1i48 n LYS 199 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1i48 s LYS 200 N -4.37 3.41 0.23 1.97 2.36 -1.26 -4.69 119.74 117.39 1i48 s LYS 200 Ca 0.49 -2.71 -0.30 0.00 -2.55 0.00 0.00 55.97 50.91 1i48 s LYS 200 Cb -0.04 -4.22 -0.09 0.00 -1.05 0.00 0.00 37.83 32.42 1i48 s LYS 200 CO 0.31 -1.25 1.37 0.08 1.55 0.00 0.00 175.35 177.41 1i48 s VAL 201 N -0.32 2.91 -0.10 4.02 1.01 -1.26 -4.26 120.40 122.40 1i48 s VAL 201 Ca 0.21 0.76 0.07 0.00 0.00 0.00 0.00 61.98 63.02 1i48 s VAL 201 Cb -0.12 -3.49 -0.24 0.00 0.00 0.00 0.00 36.38 32.53 1i48 s VAL 201 CO -0.08 0.12 0.46 0.59 0.00 0.00 0.00 175.10 176.19 1i48 n ASN 202 N 2.34 1.23 -3.63 3.32 4.13 0.18 -4.34 115.26 118.48 1i48 n ASN 202 Ca 0.06 0.28 -0.11 0.00 1.68 0.00 0.00 54.58 56.49 1i48 n ASN 202 Cb 0.41 -0.21 -0.07 0.00 -1.54 0.00 0.00 39.78 38.37 1i48 n ASN 202 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1i48 s LEU 203 N -6.34 -0.52 -0.25 3.41 0.20 -1.22 -2.14 118.68 111.81 1i48 s LEU 203 Ca -0.12 1.00 -0.09 0.00 0.69 0.00 0.00 54.13 55.60 1i48 s LEU 203 Cb 0.07 2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 47.83 1i48 s LEU 203 CO 0.80 -0.19 0.12 0.12 -0.29 0.00 0.00 176.35 176.91 1i48 s PHE 204 N 0.21 3.16 -0.07 5.38 5.36 0.46 -1.20 117.98 131.27 1i48 s PHE 204 Ca 0.02 -0.15 0.04 0.00 -0.96 0.00 0.00 56.93 55.88 1i48 s PHE 204 Cb -0.05 -2.28 -0.00 0.00 -0.34 0.00 0.00 43.02 40.35 1i48 s PHE 204 CO -0.04 -0.22 -0.20 0.12 -1.46 0.00 0.00 175.22 173.42 1i48 s PHE 205 N 1.54 2.12 0.04 10.12 5.36 0.15 -1.21 117.98 136.09 1i48 s PHE 205 Ca 0.06 -0.75 -0.28 0.00 -0.96 0.00 0.00 56.93 55.00 1i48 s PHE 205 Cb -0.15 -1.43 0.09 0.00 -0.34 0.00 0.00 43.02 41.19 1i48 s PHE 205 CO 0.06 -0.29 0.89 -0.08 -1.46 0.00 0.00 175.22 174.34 1i48 s THR 206 N 0.24 0.00 -0.03 0.12 -1.32 -0.71 -3.84 115.64 110.10 1i48 s THR 206 Ca -0.12 -0.17 0.03 0.00 -1.21 0.00 0.00 61.69 60.23 1i48 s THR 206 Cb -0.15 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.56 1i48 s THR 206 CO 0.05 0.00 -0.12 -1.83 -2.21 0.00 0.00 174.62 170.51 1i48 s GLU 207 N -3.19 2.50 -0.12 7.08 1.03 -1.26 -0.96 118.70 123.78 1i48 s GLU 207 Ca 0.07 -0.71 -0.05 0.00 0.03 0.00 0.00 54.97 54.31 1i48 s GLU 207 Cb -0.01 -2.41 0.06 0.00 -0.80 0.00 0.00 34.13 30.97 1i48 s GLU 207 CO -0.06 0.62 0.25 0.45 -1.33 0.00 0.00 175.26 175.18 1i48 s SER 208 N -0.97 0.40 0.87 0.83 0.15 -1.20 -3.42 113.70 110.37 1i48 s SER 208 Ca 0.13 0.56 -0.12 0.00 0.70 0.00 0.00 55.95 57.21 1i48 s SER 208 Cb -0.11 0.63 0.08 0.00 -1.71 0.00 0.00 66.02 64.91 1i48 s SER 208 CO 0.03 -0.24 0.89 -2.65 1.20 0.00 0.00 173.24 172.47 1i48 n PRO 209 N 5.33 -0.13 -2.70 5.44 -0.02 -1.26 -4.57 135.00 137.09 1i48 n PRO 209 Ca -0.06 0.02 -0.22 0.00 -2.02 0.00 0.00 63.50 61.23 1i48 n PRO 209 Cb 0.50 -2.19 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 1i48 n PRO 209 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i48 s THR 210 N -2.33 2.37 -0.04 3.45 -1.32 0.13 -4.72 115.64 113.18 1i48 s THR 210 Ca 0.66 -0.70 0.05 0.00 -1.21 0.00 0.00 61.69 60.49 1i48 s THR 210 Cb -0.26 -2.66 -0.01 0.00 -1.51 0.00 0.00 72.50 68.06 1i48 s THR 210 CO 0.58 0.00 -0.20 0.21 -2.21 0.00 0.00 174.62 173.00 1i48 s ASN 211 N -4.60 2.48 -0.09 8.08 3.04 -1.26 -0.56 114.94 122.02 1i48 s ASN 211 Ca 0.62 -0.40 0.17 0.00 0.04 0.00 0.00 52.86 53.29 1i48 s ASN 211 Cb -0.07 -0.54 0.63 0.00 -1.54 0.00 0.00 41.25 39.73 1i48 s ASN 211 CO 0.41 0.21 1.54 -0.81 -3.04 0.00 0.00 177.10 175.41 1i48 n PRO 212 N 2.89 3.43 -0.32 0.43 -0.04 -1.26 -3.94 135.00 136.20 1i48 n PRO 212 Ca -0.17 -2.74 0.12 0.00 -0.04 0.00 0.00 63.50 60.67 1i48 n PRO 212 Cb 0.53 -1.76 0.30 0.00 -0.04 0.00 0.00 33.50 32.52 1i48 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i48 n PHE 213 N 0.90 0.85 -3.15 0.54 3.72 -1.26 -4.59 117.46 114.47 1i48 n PHE 213 Ca 0.23 -0.43 -0.18 0.00 -0.05 0.00 0.00 57.45 57.03 1i48 n PHE 213 Cb 0.80 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.32 1i48 n PHE 213 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i48 n LEU 214 N 1.58 -0.89 -4.77 4.37 4.32 0.27 -4.71 117.00 117.18 1i48 n LEU 214 Ca 0.23 -0.17 -0.41 0.00 -0.02 0.00 0.00 56.01 55.64 1i48 n LEU 214 Cb 0.61 -1.69 -0.01 0.00 -1.62 0.00 0.00 43.42 40.70 1i48 n LEU 214 CO 0.16 0.06 1.04 -0.13 -1.22 0.00 0.00 177.39 177.30 1i48 s ARG 215 N -5.75 4.27 0.24 3.23 1.81 -1.26 -4.02 118.95 117.47 1i48 s ARG 215 Ca 0.29 2.34 0.08 0.00 -1.72 0.00 0.00 55.73 56.72 1i48 s ARG 215 Cb -0.16 -3.04 -0.04 0.00 -0.45 0.00 0.00 34.95 31.26 1i48 s ARG 215 CO 0.35 -0.32 0.07 0.00 -0.68 0.00 0.00 175.30 174.73 1i48 s VAL 217 N -2.12 2.04 -1.19 0.00 1.01 -1.26 -4.69 120.40 114.19 1i48 s VAL 217 Ca 0.31 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 1i48 s VAL 217 Cb -0.08 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1i48 s VAL 217 CO 0.21 0.57 1.90 -0.67 0.00 0.00 0.00 175.10 177.11 1i48 n ASP 218 N 2.81 3.43 -0.01 3.32 -0.08 -1.26 -4.81 116.55 119.95 1i48 n ASP 218 Ca -0.17 -2.74 -0.00 0.00 -1.51 0.00 0.00 54.79 50.36 1i48 n ASP 218 Cb 0.52 -1.71 -0.00 0.00 2.34 0.00 0.00 41.12 42.27 1i48 n ASP 218 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1i48 n ILE 219 N 7.39 -0.02 -0.28 5.18 5.41 -1.26 -1.08 119.36 134.70 1i48 n ILE 219 Ca 0.46 1.49 -0.01 0.00 1.00 0.00 0.00 62.75 65.69 1i48 n ILE 219 Cb 0.46 -1.97 0.02 0.00 -0.71 0.00 0.00 39.64 37.44 1i48 n ILE 219 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1i48 n GLU 220 N -3.04 -0.17 0.21 0.38 2.13 -1.17 0.26 120.64 119.24 1i48 n GLU 220 Ca 0.00 1.10 -0.10 0.00 0.66 0.00 0.00 57.16 58.82 1i48 n GLU 220 Cb 0.01 -1.63 -0.05 0.00 0.27 0.00 0.00 31.44 30.04 1i48 n GLU 220 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1i48 h LEU 221 N 0.00 -0.59 -0.60 4.31 5.85 -1.41 -2.52 115.31 120.35 1i48 h LEU 221 Ca 0.24 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.11 1i48 h LEU 221 Cb 0.42 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.51 1i48 h LEU 221 CO -0.71 -0.37 -0.22 0.58 -0.34 0.00 0.00 178.44 177.39 1i48 h VAL 222 N -0.59 0.30 -0.79 1.05 2.07 0.63 0.11 116.25 119.03 1i48 h VAL 222 Ca -0.05 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.65 1i48 h VAL 222 Cb 0.47 0.30 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 1i48 h VAL 222 CO 0.06 0.00 0.22 0.28 0.02 0.00 0.00 177.57 178.15 1i48 h SER 223 N -0.07 0.07 0.78 0.57 0.02 -0.17 0.12 113.55 114.88 1i48 h SER 223 Ca 0.28 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 1i48 h SER 223 Cb 0.50 0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.24 1i48 h SER 223 CO -0.65 -0.05 -0.38 0.50 -1.14 0.00 0.00 176.83 175.12 1i48 h LYS 224 N 0.29 -1.01 -0.93 3.45 3.64 -0.36 0.17 116.57 121.82 1i48 h LYS 224 Ca 0.46 0.07 0.17 0.00 -1.27 0.00 0.00 60.65 60.08 1i48 h LYS 224 Cb 0.83 0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 32.78 1i48 h LYS 224 CO -0.54 -0.67 0.52 -0.07 -2.27 0.00 0.00 179.45 176.42 1i48 h LEU 225 N -1.10 0.65 0.48 5.20 3.38 -0.47 -1.33 115.31 122.13 1i48 h LEU 225 Ca -0.11 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1i48 h LEU 225 Cb 0.82 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1i48 h LEU 225 CO 0.18 0.25 -0.23 0.00 0.09 0.00 0.00 178.44 178.73 1i48 h HIS 227 N -1.15 0.00 -0.29 0.00 3.86 -0.42 0.48 115.15 117.64 1i48 h HIS 227 Ca -0.07 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 1i48 h HIS 227 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1i48 h HIS 227 CO 0.00 0.00 -0.36 1.49 0.86 0.00 0.00 177.93 179.93 1i48 h GLU 228 N 0.00 0.65 -0.63 2.45 4.81 -1.21 -2.80 114.58 117.84 1i48 h GLU 228 Ca 0.12 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1i48 h GLU 228 Cb 1.12 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1i48 h GLU 228 CO -0.00 0.91 0.00 1.63 -0.73 0.00 0.00 179.01 180.82 1i48 n LYS 229 N -4.05 4.18 -0.92 1.92 4.76 0.16 -4.92 118.16 119.28 1i48 n LYS 229 Ca -0.01 -2.95 0.00 0.00 -2.87 0.00 0.00 58.31 52.47 1i48 n LYS 229 Cb 0.50 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 1i48 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i48 n GLY 230 N 0.94 0.43 3.81 0.72 0.00 -0.82 -4.89 105.19 105.38 1i48 n GLY 230 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1i48 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 s ALA 231 N -2.10 2.54 -0.05 4.61 0.00 -0.82 -4.92 121.76 121.01 1i48 s ALA 231 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 1i48 s ALA 231 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1i48 s ALA 231 CO 0.00 -1.40 0.06 -0.51 0.00 0.00 0.00 175.76 173.92 1i48 s LEU 232 N -5.64 3.86 -0.21 0.00 1.43 -0.91 -3.91 118.68 113.29 1i48 s LEU 232 Ca 0.59 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.85 1i48 s LEU 232 Cb -0.15 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 1i48 s LEU 232 CO 0.55 0.33 -0.08 -0.69 0.23 0.00 0.00 176.35 176.69 1i48 s VAL 233 N -1.06 3.10 -0.17 -1.59 1.01 -1.26 0.18 120.40 120.60 1i48 s VAL 233 Ca 0.18 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1i48 s VAL 233 Cb -0.12 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1i48 s VAL 233 CO 0.08 0.45 -0.14 0.00 0.00 0.00 0.00 175.10 175.50 1i48 s ILE 235 N 1.44 3.87 -0.76 0.00 -1.09 0.11 -1.73 121.20 123.04 1i48 s ILE 235 Ca 0.03 -0.41 -0.10 0.00 -2.23 0.00 0.00 60.65 57.94 1i48 s ILE 235 Cb -0.14 -2.60 0.20 0.00 -1.58 0.00 0.00 42.46 38.34 1i48 s ILE 235 CO -0.10 0.60 0.66 -0.62 -1.23 0.00 0.00 174.94 174.25 1i48 s ASP 236 N -0.78 6.26 -0.11 3.58 -1.08 -0.14 -1.18 116.67 123.21 1i48 s ASP 236 Ca 0.12 -2.75 0.00 0.00 -0.52 0.00 0.00 52.55 49.40 1i48 s ASP 236 Cb -0.11 -2.09 0.13 0.00 -1.46 0.00 0.00 42.92 39.39 1i48 s ASP 236 CO 0.02 -0.50 1.46 0.61 0.52 0.00 0.00 175.17 177.28 1i48 n GLY 237 N 3.80 2.77 0.25 2.66 0.00 -0.82 -3.25 105.19 110.59 1i48 n GLY 237 Ca 0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1i48 n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i48 h THR 238 N 0.47 0.00 -0.53 2.61 2.02 -1.88 0.80 112.91 116.41 1i48 h THR 238 Ca 0.14 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.47 1i48 h THR 238 Cb 1.26 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1i48 h THR 238 CO 0.27 0.00 0.41 -0.26 0.37 0.00 0.00 175.52 176.31 1i48 h PHE 239 N -0.35 0.00 0.06 3.16 0.04 -1.84 -3.16 116.94 114.85 1i48 h PHE 239 Ca 0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1i48 h PHE 239 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1i48 h PHE 239 CO -0.45 0.00 -0.03 0.00 -0.60 0.00 0.00 178.31 177.23 1i48 h ALA 240 N 1.68 -0.16 0.00 2.45 0.00 -1.48 -3.41 119.26 118.34 1i48 h ALA 240 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1i48 h ALA 240 Cb 1.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1i48 h ALA 240 CO -0.00 -0.15 0.00 2.41 0.00 0.00 0.00 179.25 181.51 1i48 n THR 241 N -3.16 -0.20 0.17 0.00 -1.04 0.16 -4.15 114.28 106.06 1i48 n THR 241 Ca -0.01 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.18 1i48 n THR 241 Cb 0.03 -0.04 0.70 0.00 -1.82 0.00 0.00 70.33 69.20 1i48 n THR 241 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1i48 h PRO 242 N 0.00 0.00 -0.14 -2.82 0.13 -1.84 -0.06 132.00 127.26 1i48 h PRO 242 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1i48 h PRO 242 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1i48 h PRO 242 CO 0.00 0.00 -0.76 -0.07 -0.23 0.00 0.00 178.00 176.94 1i48 h LEU 243 N 0.00 0.85 -0.02 1.56 3.38 -1.93 -3.25 115.31 115.90 1i48 h LEU 243 Ca 0.14 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1i48 h LEU 243 Cb 1.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1i48 h LEU 243 CO -0.00 1.34 -0.18 0.59 0.09 0.00 0.00 178.44 180.27 1i48 n ASN 244 N -3.92 0.21 -3.63 -0.43 4.13 -0.05 -4.83 115.26 106.74 1i48 n ASN 244 Ca -0.07 0.15 -0.04 0.00 1.68 0.00 0.00 54.58 56.30 1i48 n ASN 244 Cb 0.73 -0.20 -0.05 0.00 -1.54 0.00 0.00 39.78 38.72 1i48 n ASN 244 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i48 s GLN 245 N -2.95 0.18 -0.71 3.52 -2.07 -1.10 -1.63 119.66 114.89 1i48 s GLN 245 Ca 0.14 0.08 0.04 0.00 -1.82 0.00 0.00 55.36 53.81 1i48 s GLN 245 Cb 0.19 0.08 0.22 0.00 -1.09 0.00 0.00 33.01 32.41 1i48 s GLN 245 CO 0.58 -0.05 0.71 1.63 -1.32 0.00 0.00 175.29 176.85 1i48 n LYS 246 N 0.90 2.43 -0.32 9.60 4.76 -1.26 -4.28 118.16 129.98 1i48 n LYS 246 Ca -0.05 -4.60 0.28 0.00 -2.87 0.00 0.00 58.31 51.08 1i48 n LYS 246 Cb 0.58 -2.30 0.53 0.00 -1.84 0.00 0.00 35.03 32.01 1i48 n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i48 h ALA 247 N 4.80 2.03 0.02 7.82 0.00 -1.94 0.22 119.26 132.20 1i48 h ALA 247 Ca 0.18 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.36 1i48 h ALA 247 Cb 0.70 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1i48 h ALA 247 CO 0.83 -0.82 -0.16 -0.07 0.00 0.00 0.00 179.25 179.03 1i48 h LEU 248 N 0.10 -0.46 -1.91 0.00 3.38 -1.86 -1.09 115.31 113.47 1i48 h LEU 248 Ca 0.80 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.81 1i48 h LEU 248 Cb 2.01 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.94 1i48 h LEU 248 CO -0.73 -0.22 -0.10 0.00 0.09 0.00 0.00 178.44 177.48 1i48 h ALA 249 N 0.65 1.64 0.00 1.53 0.00 -0.91 -0.39 119.26 121.79 1i48 h ALA 249 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i48 h ALA 249 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1i48 h ALA 249 CO -0.14 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1i48 n LEU 250 N -4.14 0.00 0.00 0.00 4.77 -0.48 -4.86 117.00 112.29 1i48 n LEU 250 Ca -0.03 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1i48 n LEU 250 Cb 0.18 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1i48 n LEU 250 CO 0.33 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1i48 n GLY 251 N 0.42 1.72 3.44 -0.72 0.00 -0.16 -3.05 105.19 106.85 1i48 n GLY 251 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1i48 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 n ALA 252 N -0.15 -1.51 0.02 4.61 0.00 -0.81 -4.93 120.51 117.73 1i48 n ALA 252 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1i48 n ALA 252 Cb 0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 19.45 17.52 1i48 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i48 h ASP 253 N -0.02 0.43 -3.74 0.00 3.32 -1.03 -3.41 116.42 111.97 1i48 h ASP 253 Ca -0.45 -0.89 -0.24 0.00 0.02 0.00 0.00 57.03 55.47 1i48 h ASP 253 Cb 1.38 -0.14 -0.28 0.00 0.22 0.00 0.00 39.33 40.51 1i48 h ASP 253 CO 0.44 1.74 -0.72 -0.76 -1.72 0.00 0.00 179.24 178.22 1i48 s LEU 254 N -7.34 1.97 -0.02 1.55 1.43 -0.46 -4.30 118.68 111.51 1i48 s LEU 254 Ca -0.20 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1i48 s LEU 254 Cb 0.06 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.23 1i48 s LEU 254 CO 0.78 0.00 -0.16 0.54 0.23 0.00 0.00 176.35 177.74 1i48 s VAL 255 N 0.03 1.32 0.00 -1.59 0.11 -0.91 0.06 120.40 119.42 1i48 s VAL 255 Ca -0.00 -0.69 -0.05 0.00 -2.93 0.00 0.00 61.98 58.30 1i48 s VAL 255 Cb -0.01 -1.11 -0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1i48 s VAL 255 CO -0.00 0.38 0.10 -1.48 -3.33 0.00 0.00 175.10 170.76 1i48 s LEU 256 N -0.24 1.72 0.09 2.54 0.05 -0.33 -1.11 118.68 121.39 1i48 s LEU 256 Ca 0.03 -0.22 0.02 0.00 0.05 0.00 0.00 54.13 54.01 1i48 s LEU 256 Cb -0.08 0.50 -0.04 0.00 -2.05 0.00 0.00 46.19 44.53 1i48 s LEU 256 CO 0.00 -0.31 -0.07 -1.00 -0.55 0.00 0.00 176.35 174.42 1i48 s HIS 257 N -1.22 0.86 -0.82 3.48 0.09 -0.97 -1.95 115.29 114.77 1i48 s HIS 257 Ca -0.13 -0.86 -0.16 0.00 -0.00 0.00 0.00 55.06 53.91 1i48 s HIS 257 Cb -0.07 -0.50 0.17 0.00 -0.00 0.00 0.00 32.58 32.18 1i48 s HIS 257 CO 0.01 -0.14 0.87 0.45 -0.00 0.00 0.00 174.74 175.93 1i48 s SER 258 N -2.84 6.62 0.41 1.40 0.15 -1.26 -2.34 113.70 115.84 1i48 s SER 258 Ca 0.09 -2.27 0.17 0.00 0.70 0.00 0.00 55.95 54.63 1i48 s SER 258 Cb 0.03 -2.29 0.91 0.00 -1.71 0.00 0.00 66.02 62.96 1i48 s SER 258 CO -0.04 -0.82 1.43 0.00 1.20 0.00 0.00 173.24 175.01 1i48 h ALA 259 N 8.36 1.25 -0.43 5.45 0.00 -1.29 0.48 119.26 133.07 1i48 h ALA 259 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1i48 h ALA 259 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1i48 h ALA 259 CO 0.93 -0.25 0.34 1.15 0.00 0.00 0.00 179.25 181.41 1i48 h THR 260 N 0.00 0.68 0.00 0.00 2.02 -1.63 -1.49 112.91 112.49 1i48 h THR 260 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i48 h THR 260 Cb 0.65 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1i48 h THR 260 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1i48 n LYS 261 N -4.24 0.00 -0.05 6.66 4.76 0.16 -4.55 118.16 120.90 1i48 n LYS 261 Ca 0.07 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 1i48 n LYS 261 Cb 0.53 -0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.61 1i48 n LYS 261 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1i48 h PHE 262 N 0.00 -0.02 -0.77 2.13 0.04 -1.74 0.12 116.94 116.71 1i48 h PHE 262 Ca 0.00 -0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.95 1i48 h PHE 262 Cb 0.00 0.01 -0.13 0.00 2.20 0.00 0.00 35.95 38.02 1i48 h PHE 262 CO 0.00 0.77 0.01 -0.07 -0.60 0.00 0.00 178.31 178.43 1i48 h LEU 263 N -0.93 -0.34 0.19 1.54 3.38 -1.84 0.37 115.31 117.68 1i48 h LEU 263 Ca -0.00 0.20 -0.33 0.00 0.09 0.00 0.00 57.88 57.84 1i48 h LEU 263 Cb 0.80 0.35 0.02 0.00 0.09 0.00 0.00 40.66 41.91 1i48 h LEU 263 CO 0.00 -0.18 -1.54 1.23 0.09 0.00 0.00 178.44 178.04 1i48 h GLY 264 N 0.11 0.45 -2.04 0.83 0.00 -1.40 -3.25 103.07 97.76 1i48 h GLY 264 Ca 0.42 -1.16 -0.13 0.00 0.00 0.00 0.00 47.33 46.46 1i48 h GLY 264 CO -0.67 1.01 -0.12 0.61 0.00 0.00 0.00 176.54 177.37 1i48 n GLY 265 N 1.72 0.47 0.00 4.60 0.00 0.43 -4.68 105.19 107.73 1i48 n GLY 265 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1i48 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i48 n HIS 266 N -1.62 0.00 -3.26 1.61 8.25 -1.26 -0.72 115.22 118.23 1i48 n HIS 266 Ca -0.07 -0.23 -0.22 0.00 -0.26 0.00 0.00 57.72 56.94 1i48 n HIS 266 Cb 0.26 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1i48 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i48 n ASN 267 N -0.23 -4.13 -0.80 0.41 3.02 -1.26 -4.83 115.26 107.44 1i48 n ASN 267 Ca 0.00 -0.34 0.04 0.00 -0.03 0.00 0.00 54.58 54.25 1i48 n ASN 267 Cb 0.22 -3.40 0.07 0.00 -0.61 0.00 0.00 39.78 36.06 1i48 n ASN 267 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1i48 n ASP 268 N -2.30 1.08 -3.63 6.41 5.75 -1.26 -5.08 116.55 117.52 1i48 n ASP 268 Ca -0.04 -2.57 -0.05 0.00 -0.01 0.00 0.00 54.79 52.13 1i48 n ASP 268 Cb 0.56 -0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 40.25 1i48 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i48 s VAL 269 N -1.13 0.00 0.10 2.12 0.11 -1.26 -5.10 120.40 115.23 1i48 s VAL 269 Ca 0.25 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.35 1i48 s VAL 269 Cb 0.26 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1i48 s VAL 269 CO -0.07 0.00 -0.02 -0.76 -3.33 0.00 0.00 175.10 170.93 1i48 s LEU 270 N -0.56 3.39 0.00 2.54 1.43 -1.26 -4.40 118.68 119.82 1i48 s LEU 270 Ca 0.06 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1i48 s LEU 270 Cb -0.03 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1i48 s LEU 270 CO -0.08 0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.67 1i48 n ALA 271 N 0.55 0.00 -2.44 4.21 0.00 -1.18 -4.70 120.51 116.95 1i48 n ALA 271 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 1i48 n ALA 271 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1i48 n ALA 271 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i48 s GLY 272 N 0.00 1.80 -0.14 0.00 0.00 -1.20 -0.79 107.32 106.99 1i48 s GLY 272 Ca 0.00 -1.84 -0.25 0.00 0.00 0.00 0.00 44.72 42.63 1i48 s GLY 272 CO 0.00 -1.92 0.62 0.00 0.00 0.00 0.00 173.10 171.79 1i48 s ILE 274 N -0.41 1.11 0.01 0.00 1.01 -0.36 -2.30 121.20 120.26 1i48 s ILE 274 Ca -0.06 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.15 1i48 s ILE 274 Cb -0.03 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1i48 s ILE 274 CO 0.05 0.34 -0.16 -0.44 0.00 0.00 0.00 174.94 174.73 1i48 s SER 275 N 0.40 1.87 0.00 3.58 0.01 -0.26 0.71 113.70 120.00 1i48 s SER 275 Ca -0.09 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1i48 s SER 275 Cb -0.13 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1i48 s SER 275 CO 0.02 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1i48 n GLY 276 N 2.35 -1.02 3.77 3.44 0.00 -0.05 -2.14 105.19 111.54 1i48 n GLY 276 Ca -0.16 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1i48 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i48 s PRO 277 N -0.55 4.11 0.11 1.61 0.04 -1.26 -1.72 135.00 137.34 1i48 s PRO 277 Ca 0.00 2.44 -0.34 0.00 0.04 0.00 0.00 61.00 63.13 1i48 s PRO 277 Cb 0.00 -2.94 -0.14 0.00 0.04 0.00 0.00 34.50 31.46 1i48 s PRO 277 CO 0.00 -0.48 1.55 1.25 0.04 0.00 0.00 177.00 179.36 1i48 h LEU 278 N 2.99 -1.67 -1.80 -3.56 6.46 -1.89 0.39 115.31 116.23 1i48 h LEU 278 Ca -0.50 0.19 0.52 0.00 -0.12 0.00 0.00 57.88 57.97 1i48 h LEU 278 Cb 1.24 0.63 -0.07 0.00 -0.73 0.00 0.00 40.66 41.73 1i48 h LEU 278 CO 0.64 -0.52 1.38 1.17 -0.62 0.00 0.00 178.44 180.49 1i48 n LYS 279 N -5.46 0.00 -0.07 1.25 0.00 -1.26 -1.00 118.16 111.63 1i48 n LYS 279 Ca -0.07 1.06 -0.06 0.00 0.00 0.00 0.00 58.31 59.24 1i48 n LYS 279 Cb 0.40 -2.49 -0.02 0.00 0.00 0.00 0.00 35.03 32.92 1i48 n LYS 279 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1i48 n LEU 280 N -3.78 1.62 -0.26 3.14 4.77 -0.24 -4.26 117.00 117.99 1i48 n LEU 280 Ca 0.41 0.44 0.06 0.00 -0.03 0.00 0.00 56.01 56.89 1i48 n LEU 280 Cb 1.92 -0.77 0.18 0.00 -2.33 0.00 0.00 43.42 42.43 1i48 n LEU 280 CO 0.41 -0.39 0.88 1.62 -1.33 0.00 0.00 177.39 178.57 1i48 h VAL 281 N -0.86 0.40 -0.52 4.08 3.04 -0.30 -0.45 116.25 121.62 1i48 h VAL 281 Ca 0.00 -0.06 0.10 0.00 -1.01 0.00 0.00 66.70 65.73 1i48 h VAL 281 Cb 0.65 0.21 -0.09 0.00 -2.01 0.00 0.00 31.29 30.05 1i48 h VAL 281 CO 0.00 0.03 -0.00 0.77 -1.01 0.00 0.00 177.57 177.36 1i48 h SER 282 N 0.17 -0.23 -1.01 3.17 4.64 -1.30 0.15 113.55 119.15 1i48 h SER 282 Ca 0.43 0.13 0.26 0.00 -0.47 0.00 0.00 61.79 62.14 1i48 h SER 282 Cb 0.77 0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 63.01 1i48 h SER 282 CO -0.61 -0.08 0.68 -0.33 -0.87 0.00 0.00 176.83 175.62 1i48 h GLU 283 N 0.12 0.27 0.02 4.77 4.39 -1.25 -0.60 114.58 122.29 1i48 h GLU 283 Ca 0.27 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 1i48 h GLU 283 Cb 0.41 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1i48 h GLU 283 CO -0.44 0.18 -0.16 0.82 -1.16 0.00 0.00 179.01 178.25 1i48 h ILE 284 N 0.28 1.68 -0.90 3.13 2.04 -0.73 -3.27 117.51 119.75 1i48 h ILE 284 Ca 0.53 -2.21 0.21 0.00 1.00 0.00 0.00 64.86 64.39 1i48 h ILE 284 Cb 1.57 3.17 -0.12 0.00 -0.74 0.00 0.00 36.82 40.69 1i48 h ILE 284 CO -0.18 0.59 0.42 -0.09 0.00 0.00 0.00 178.15 178.88 1i48 h ARG 285 N -0.78 0.43 0.32 2.37 2.43 0.29 0.27 114.38 119.71 1i48 h ARG 285 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1i48 h ARG 285 Cb 1.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1i48 h ARG 285 CO 0.03 0.29 -0.32 -0.91 -1.51 0.00 0.00 179.97 177.55 1i48 h ASN 286 N 0.45 -0.86 -0.87 -3.80 2.35 -1.29 0.25 115.58 111.81 1i48 h ASN 286 Ca 0.55 0.07 0.20 0.00 -0.55 0.00 0.00 56.30 56.57 1i48 h ASN 286 Cb 1.02 0.28 -0.06 0.00 0.05 0.00 0.00 38.32 39.61 1i48 h ASN 286 CO -0.50 -0.42 0.58 0.25 -1.65 0.00 0.00 177.43 175.69 1i48 h LEU 287 N -0.64 0.37 -0.45 1.61 5.85 -1.33 0.22 115.31 120.94 1i48 h LEU 287 Ca -0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1i48 h LEU 287 Cb 0.55 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1i48 h LEU 287 CO -0.03 0.16 0.23 -0.74 -0.34 0.00 0.00 178.44 177.71 1i48 h HIS 288 N 0.37 0.64 -0.18 1.25 2.76 0.60 -1.18 115.15 119.41 1i48 h HIS 288 Ca 0.45 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.64 1i48 h HIS 288 Cb 1.15 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1i48 h HIS 288 CO -0.00 0.51 0.24 0.45 -1.30 0.00 0.00 177.93 177.83 1i48 h HIS 289 N 0.59 0.00 0.00 5.26 3.86 0.28 0.10 115.15 125.24 1i48 h HIS 289 Ca 0.16 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1i48 h HIS 289 Cb 0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1i48 h HIS 289 CO -0.01 0.00 -0.59 0.82 0.86 0.00 0.00 177.93 179.00 1i48 h ILE 290 N 0.00 0.39 0.00 2.45 2.04 -1.06 -3.34 117.51 117.99 1i48 h ILE 290 Ca 0.08 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1i48 h ILE 290 Cb 0.57 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1i48 h ILE 290 CO -0.00 0.13 0.03 -0.07 0.00 0.00 0.00 178.15 178.24 1i48 h LEU 291 N -1.00 0.00 -2.78 1.44 3.38 -1.04 -3.46 115.31 111.84 1i48 h LEU 291 Ca -0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1i48 h LEU 291 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1i48 h LEU 291 CO -0.06 0.00 -0.63 0.61 0.09 0.00 0.00 178.44 178.45 1i48 n GLY 292 N -1.14 -0.96 0.86 0.83 0.00 0.00 -4.95 105.19 99.84 1i48 n GLY 292 Ca -0.03 0.98 0.04 0.00 0.00 0.00 0.00 46.02 47.01 1i48 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i48 n GLY 293 N -0.78 4.54 3.42 -0.02 0.00 -1.26 -5.09 105.19 106.01 1i48 n GLY 293 Ca -0.01 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 1i48 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 n ALA 294 N -0.83 -1.53 -2.75 4.61 0.00 -1.26 -1.78 120.51 116.96 1i48 n ALA 294 Ca 0.18 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 1i48 n ALA 294 Cb 0.78 -1.74 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 1i48 n ALA 294 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i48 s LEU 295 N 1.62 4.28 0.30 0.00 2.96 -1.26 -4.47 118.68 122.11 1i48 s LEU 295 Ca 0.66 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 54.68 1i48 s LEU 295 Cb -0.46 -2.18 -0.10 0.00 0.50 0.00 0.00 46.19 43.95 1i48 s LEU 295 CO 0.57 0.23 1.34 0.21 -1.32 0.00 0.00 176.35 177.37 1i48 s ASN 296 N -0.04 6.75 0.17 3.68 3.84 -1.26 -4.85 114.94 123.24 1i48 s ASN 296 Ca 0.13 2.66 -0.18 0.00 0.21 0.00 0.00 52.86 55.67 1i48 s ASN 296 Cb -0.12 -2.64 0.10 0.00 -0.55 0.00 0.00 41.25 38.04 1i48 s ASN 296 CO 0.02 -0.57 1.64 -0.65 -2.79 0.00 0.00 177.10 174.75 1i48 h PRO 297 N 3.91 -0.10 -0.77 0.43 0.11 -1.98 -0.04 132.00 133.58 1i48 h PRO 297 Ca -0.48 0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.81 1i48 h PRO 297 Cb 1.22 0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 1i48 h PRO 297 CO 0.69 -0.06 0.20 -0.91 -0.21 0.00 0.00 178.00 177.71 1i48 h ASN 298 N -0.10 0.04 0.20 -2.05 2.35 -1.92 0.59 115.58 114.69 1i48 h ASN 298 Ca 0.20 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1i48 h ASN 298 Cb 0.40 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1i48 h ASN 298 CO -0.46 -0.04 -0.09 0.00 -1.65 0.00 0.00 177.43 175.18 1i48 h ALA 299 N 1.64 -0.26 -0.55 -0.83 0.00 -1.52 -1.31 119.26 116.42 1i48 h ALA 299 Ca 0.44 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.36 1i48 h ALA 299 Cb 0.77 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 1i48 h ALA 299 CO -0.53 -0.59 -0.15 0.00 0.00 0.00 0.00 179.25 177.98 1i48 h ALA 300 N 0.41 0.34 0.36 0.00 0.00 0.10 -1.64 119.26 118.84 1i48 h ALA 300 Ca -0.03 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1i48 h ALA 300 Cb 0.29 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1i48 h ALA 300 CO 0.04 -0.45 -0.34 -0.92 0.00 0.00 0.00 179.25 177.58 1i48 h TYR 301 N -0.01 -0.93 -0.97 0.00 3.20 0.31 -1.04 116.97 117.53 1i48 h TYR 301 Ca 0.26 0.00 0.31 0.00 3.14 0.00 0.00 58.73 62.45 1i48 h TYR 301 Cb 0.41 0.36 -0.15 0.00 1.54 0.00 0.00 36.73 38.89 1i48 h TYR 301 CO -0.47 -0.49 0.45 -0.07 -1.64 0.00 0.00 178.16 175.94 1i48 h LEU 302 N -0.73 0.30 0.12 2.82 3.38 -0.36 0.44 115.31 121.28 1i48 h LEU 302 Ca -0.03 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1i48 h LEU 302 Cb 0.65 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1i48 h LEU 302 CO -0.05 -0.19 -0.06 0.40 0.09 0.00 0.00 178.44 178.63 1i48 h ILE 303 N 0.23 1.06 -0.99 1.22 2.04 -0.72 -0.35 117.51 120.00 1i48 h ILE 303 Ca 0.70 -0.79 0.19 0.00 1.00 0.00 0.00 64.86 65.95 1i48 h ILE 303 Cb 1.58 1.56 -0.10 0.00 -0.74 0.00 0.00 36.82 39.12 1i48 h ILE 303 CO -0.66 0.19 0.61 0.40 0.00 0.00 0.00 178.15 178.69 1i48 h ILE 304 N -0.54 0.73 -0.35 -0.67 2.04 0.73 0.27 117.51 119.72 1i48 h ILE 304 Ca -0.02 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 1i48 h ILE 304 Cb 0.43 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1i48 h ILE 304 CO 0.03 0.13 -0.25 -0.09 0.00 0.00 0.00 178.15 177.96 1i48 h ARG 305 N 0.72 0.71 -0.18 2.37 2.43 -0.08 -3.12 114.38 117.22 1i48 h ARG 305 Ca 0.55 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1i48 h ARG 305 Cb 0.91 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1i48 h ARG 305 CO -0.32 0.89 -0.28 0.78 -1.51 0.00 0.00 179.97 179.53 1i48 h GLY 306 N 0.98 0.54 2.00 2.80 0.00 0.12 -3.02 103.07 106.49 1i48 h GLY 306 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1i48 h GLY 306 CO 0.06 0.55 0.00 1.03 0.00 0.00 0.00 176.54 178.18 1i48 n MET 307 N -4.39 0.13 0.22 4.80 2.81 0.27 -1.39 117.12 119.57 1i48 n MET 307 Ca -0.06 0.62 0.12 0.00 -1.81 0.00 0.00 57.70 56.57 1i48 n MET 307 Cb 0.46 -1.91 0.72 0.00 -0.71 0.00 0.00 33.22 31.78 1i48 n MET 307 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i48 h LYS 308 N 0.00 0.00 -0.11 0.03 1.79 -1.47 -1.89 116.57 114.92 1i48 h LYS 308 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1i48 h LYS 308 Cb 0.01 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.55 1i48 h LYS 308 CO 0.00 0.00 -0.61 0.25 -1.08 0.00 0.00 179.45 178.01 1i48 n THR 309 N -4.30 2.00 0.09 -0.16 -2.24 -0.49 -4.71 114.28 104.46 1i48 n THR 309 Ca -0.01 -3.13 -0.05 0.00 -2.27 0.00 0.00 64.05 58.60 1i48 n THR 309 Cb 0.19 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 1i48 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i48 h LEU 310 N 1.19 -0.31 -0.56 3.22 5.85 -1.37 -1.71 115.31 121.62 1i48 h LEU 310 Ca 0.02 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1i48 h LEU 310 Cb 1.18 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.20 1i48 h LEU 310 CO 0.12 -0.17 -0.44 1.12 -0.34 0.00 0.00 178.44 178.73 1i48 h HIS 311 N -0.27 -1.30 -0.86 1.25 2.07 -1.89 0.02 115.15 114.18 1i48 h HIS 311 Ca -0.02 0.08 0.11 0.00 -2.85 0.00 0.00 60.37 57.69 1i48 h HIS 311 Cb 0.22 0.65 -0.13 0.00 2.57 0.00 0.00 27.41 30.72 1i48 h HIS 311 CO -0.01 -0.43 -0.47 -0.07 -3.07 0.00 0.00 177.93 173.88 1i48 h LEU 312 N -0.24 -1.71 0.36 6.12 -0.00 -1.91 0.55 115.31 118.49 1i48 h LEU 312 Ca 0.17 0.30 -0.02 0.00 -0.00 0.00 0.00 57.88 58.33 1i48 h LEU 312 Cb 0.56 0.80 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 1i48 h LEU 312 CO -0.68 -0.29 -0.17 0.03 -0.00 0.00 0.00 178.44 177.33 1i48 h ARG 313 N -0.08 -0.47 -0.99 1.13 3.08 -0.22 -2.80 114.38 114.03 1i48 h ARG 313 Ca 0.23 0.03 0.28 0.00 0.07 0.00 0.00 59.98 60.59 1i48 h ARG 313 Cb 0.53 0.11 -0.19 0.00 0.08 0.00 0.00 29.97 30.50 1i48 h ARG 313 CO -0.87 -0.31 0.03 0.28 -1.07 0.00 0.00 179.97 178.02 1i48 n VAL 314 N -3.37 -0.42 0.03 2.04 0.31 -0.15 -0.69 118.33 116.09 1i48 n VAL 314 Ca -0.06 2.19 -0.03 0.00 -0.01 0.00 0.00 64.34 66.43 1i48 n VAL 314 Cb 0.19 -3.20 -0.02 0.00 -0.91 0.00 0.00 33.84 29.91 1i48 n VAL 314 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1i48 h GLN 315 N 0.00 -0.14 -0.85 5.55 4.20 -0.86 0.30 115.11 123.31 1i48 h GLN 315 Ca 0.61 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.52 1i48 h GLN 315 Cb 1.25 0.03 -0.16 0.00 0.30 0.00 0.00 27.48 28.91 1i48 h GLN 315 CO -0.93 -0.09 -0.08 0.37 -0.67 0.00 0.00 178.83 177.42 1i48 h GLN 316 N -0.14 0.04 0.34 1.46 5.75 -0.63 -0.99 115.11 120.94 1i48 h GLN 316 Ca -0.01 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1i48 h GLN 316 Cb 0.13 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.68 1i48 h GLN 316 CO -0.03 0.03 -0.16 1.96 -2.65 0.00 0.00 178.83 177.97 1i48 h GLN 317 N 0.04 -0.44 -0.66 1.69 4.20 -0.51 -2.34 115.11 117.09 1i48 h GLN 317 Ca 0.46 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.34 1i48 h GLN 317 Cb 0.80 0.10 -0.12 0.00 0.30 0.00 0.00 27.48 28.56 1i48 h GLN 317 CO -0.81 -0.29 -0.06 -0.91 -0.67 0.00 0.00 178.83 176.09 1i48 h ASN 318 N -0.47 -0.42 0.00 1.46 2.35 0.92 -0.33 115.58 119.09 1i48 h ASN 318 Ca -0.05 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1i48 h ASN 318 Cb 0.36 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1i48 h ASN 318 CO 0.08 -0.17 0.00 -1.20 -1.65 0.00 0.00 177.43 174.49 1i48 n SER 319 N -5.36 0.00 -0.34 5.81 7.64 -0.87 -1.83 113.62 118.67 1i48 n SER 319 Ca 0.10 0.98 0.07 0.00 1.01 0.00 0.00 58.87 61.02 1i48 n SER 319 Cb 0.38 -0.48 0.15 0.00 -1.01 0.00 0.00 64.21 63.25 1i48 n SER 319 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i48 n THR 320 N -2.01 -0.40 0.00 0.44 -1.04 -0.89 -1.30 114.28 109.08 1i48 n THR 320 Ca 0.00 2.17 0.00 0.00 -2.04 0.00 0.00 64.05 64.18 1i48 n THR 320 Cb 0.00 -3.02 0.00 0.00 -1.82 0.00 0.00 70.33 65.49 1i48 n THR 320 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i48 n ALA 321 N -3.60 -0.21 -0.23 2.41 0.00 -0.15 -1.12 120.51 117.60 1i48 n ALA 321 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1i48 n ALA 321 Cb 0.50 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.21 1i48 n ALA 321 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1i48 n LEU 322 N -2.39 0.00 -0.25 0.00 7.94 -0.42 0.65 117.00 122.53 1i48 n LEU 322 Ca 0.00 0.88 -0.06 0.00 -1.11 0.00 0.00 56.01 55.72 1i48 n LEU 322 Cb 0.00 -0.38 -0.06 0.00 0.53 0.00 0.00 43.42 43.51 1i48 n LEU 322 CO 0.00 -0.38 0.44 0.54 -1.11 0.00 0.00 177.39 176.87 1i48 n ARG 323 N -2.47 -0.26 -0.24 1.96 1.74 -0.75 0.82 116.66 117.47 1i48 n ARG 323 Ca 0.00 1.20 0.04 0.00 -0.77 0.00 0.00 57.85 58.31 1i48 n ARG 323 Cb 0.00 -1.77 0.16 0.00 -1.02 0.00 0.00 32.46 29.83 1i48 n ARG 323 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1i48 h MET 324 N 0.00 0.35 -0.25 5.56 2.86 -0.62 -0.97 114.93 121.85 1i48 h MET 324 Ca 0.09 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1i48 h MET 324 Cb 0.24 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 1i48 h MET 324 CO -0.56 0.23 -0.43 0.00 1.06 0.00 0.00 176.91 177.21 1i48 h ALA 325 N 1.53 -0.71 0.30 6.32 0.00 0.62 0.53 119.26 127.86 1i48 h ALA 325 Ca 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1i48 h ALA 325 Cb 0.58 1.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1i48 h ALA 325 CO -0.42 -0.90 -0.45 0.93 0.00 0.00 0.00 179.25 178.41 1i48 h GLU 326 N -0.35 -0.76 -0.99 0.00 5.08 -0.52 0.22 114.58 117.26 1i48 h GLU 326 Ca 0.05 0.05 0.34 0.00 -1.00 0.00 0.00 59.36 58.80 1i48 h GLU 326 Cb 0.48 0.17 -0.18 0.00 0.50 0.00 0.00 28.75 29.73 1i48 h GLU 326 CO -0.42 -0.51 0.33 0.82 -1.00 0.00 0.00 179.01 178.22 1i48 h ILE 327 N -0.79 0.06 0.16 3.13 2.04 -0.65 0.46 117.51 121.91 1i48 h ILE 327 Ca -0.03 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1i48 h ILE 327 Cb 0.73 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1i48 h ILE 327 CO -0.14 0.01 -0.07 -0.07 0.00 0.00 0.00 178.15 177.88 1i48 h LEU 328 N 0.05 -0.18 -1.02 1.44 3.38 0.14 -2.07 115.31 117.05 1i48 h LEU 328 Ca 0.72 -0.27 0.19 0.00 0.09 0.00 0.00 57.88 58.61 1i48 h LEU 328 Cb 1.73 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.42 1i48 h LEU 328 CO -0.80 0.19 0.61 -0.08 0.09 0.00 0.00 178.44 178.45 1i48 h GLU 329 N -0.57 0.74 0.00 1.13 4.81 0.29 0.22 114.58 121.21 1i48 h GLU 329 Ca -0.02 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1i48 h GLU 329 Cb 0.44 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1i48 h GLU 329 CO 0.04 0.49 -0.25 0.00 -0.73 0.00 0.00 179.01 178.56 1i48 h ALA 330 N 1.64 0.99 -2.89 2.92 0.00 -0.61 -3.45 119.26 117.86 1i48 h ALA 330 Ca 0.57 -0.23 -0.53 0.00 0.00 0.00 0.00 54.91 54.73 1i48 h ALA 330 Cb 0.90 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 18.73 1i48 h ALA 330 CO -0.37 0.31 0.72 -1.58 0.00 0.00 0.00 179.25 178.34 1i48 s HIS 331 N -3.58 2.83 0.08 0.00 5.65 0.78 -4.94 115.29 116.10 1i48 s HIS 331 Ca 0.01 1.23 -0.19 0.00 0.25 0.00 0.00 55.06 56.36 1i48 s HIS 331 Cb 0.10 -3.86 -0.09 0.00 -1.18 0.00 0.00 32.58 27.54 1i48 s HIS 331 CO 0.65 -2.52 1.50 -1.00 -0.65 0.00 0.00 174.74 172.72 1i48 h PRO 332 N 3.47 0.40 0.00 2.88 0.13 -1.87 -2.95 132.00 134.06 1i48 h PRO 332 Ca -0.49 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1i48 h PRO 332 Cb 1.23 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1i48 h PRO 332 CO 0.67 0.60 0.00 1.63 -0.23 0.00 0.00 178.00 180.67 1i48 n LYS 333 N -4.65 0.19 -3.40 0.86 5.02 -1.26 -4.44 118.16 110.49 1i48 n LYS 333 Ca -0.04 0.16 -0.44 0.00 -2.02 0.00 0.00 58.31 55.97 1i48 n LYS 333 Cb 0.25 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.67 1i48 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i48 s VAL 334 N -2.51 5.22 0.04 -0.18 1.01 -1.12 0.20 120.40 123.08 1i48 s VAL 334 Ca 0.12 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 1i48 s VAL 334 Cb 0.08 -4.06 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 1i48 s VAL 334 CO 0.18 -0.49 1.49 -0.09 0.00 0.00 0.00 175.10 176.19 1i48 h ARG 335 N 8.72 -0.34 -3.70 2.72 2.43 -1.48 -3.46 114.38 119.27 1i48 h ARG 335 Ca -0.28 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.80 1i48 h ARG 335 Cb 1.11 0.08 -0.17 0.00 -0.42 0.00 0.00 29.97 30.57 1i48 h ARG 335 CO 0.83 -0.11 -0.45 -1.58 -1.51 0.00 0.00 179.97 177.15 1i48 s HIS 336 N -5.42 0.14 -0.02 2.20 5.04 -1.15 -4.99 115.29 111.08 1i48 s HIS 336 Ca -0.15 -0.42 0.01 0.00 -1.54 0.00 0.00 55.06 52.95 1i48 s HIS 336 Cb 0.04 -0.09 0.02 0.00 0.04 0.00 0.00 32.58 32.59 1i48 s HIS 336 CO 0.61 -0.42 -0.01 0.08 -2.34 0.00 0.00 174.74 172.67 1i48 s VAL 337 N -2.77 0.22 -0.19 0.89 1.01 -1.26 -1.13 120.40 117.16 1i48 s VAL 337 Ca -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1i48 s VAL 337 Cb -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1i48 s VAL 337 CO -0.05 0.14 -0.01 -0.31 0.00 0.00 0.00 175.10 174.86 1i48 s TYR 338 N 0.78 3.03 -0.30 5.22 1.51 0.21 -4.84 117.35 122.96 1i48 s TYR 338 Ca -0.08 -0.47 -0.17 0.00 -1.01 0.00 0.00 57.07 55.34 1i48 s TYR 338 Cb -0.11 -2.06 0.18 0.00 -0.11 0.00 0.00 41.96 39.86 1i48 s TYR 338 CO -0.01 -0.23 1.16 -0.47 -1.11 0.00 0.00 175.55 174.89 1i48 s TYR 339 N 0.93 -0.33 0.64 2.71 5.04 -1.26 -2.92 117.35 122.14 1i48 s TYR 339 Ca 0.01 0.54 0.26 0.00 -2.44 0.00 0.00 57.07 55.44 1i48 s TYR 339 Cb -0.14 0.19 1.37 0.00 0.35 0.00 0.00 41.96 43.73 1i48 s TYR 339 CO 0.02 -0.17 1.79 -1.35 -1.34 0.00 0.00 175.55 174.49 1i48 h PRO 340 N 7.35 0.00 -0.12 4.97 0.11 -1.87 0.54 132.00 142.99 1i48 h PRO 340 Ca -0.14 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.87 1i48 h PRO 340 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1i48 h PRO 340 CO 0.04 0.00 -0.39 0.78 -0.21 0.00 0.00 178.00 178.22 1i48 h GLY 341 N 0.00 0.28 -1.62 -0.55 0.00 -1.94 -3.43 103.07 95.81 1i48 h GLY 341 Ca 0.10 -0.26 -0.49 0.00 0.00 0.00 0.00 47.33 46.69 1i48 h GLY 341 CO -0.00 0.23 0.39 1.08 0.00 0.00 0.00 176.54 178.24 1i48 s LEU 342 N -8.30 3.47 0.19 3.11 1.43 0.18 -4.96 118.68 113.81 1i48 s LEU 342 Ca -0.05 1.58 0.10 0.00 -1.03 0.00 0.00 54.13 54.73 1i48 s LEU 342 Cb 0.13 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1i48 s LEU 342 CO 0.77 -0.82 1.40 1.56 0.23 0.00 0.00 176.35 179.49 1i48 h GLN 343 N 0.43 0.00 -0.05 1.70 4.20 -1.86 -3.01 115.11 116.52 1i48 h GLN 343 Ca -0.46 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.27 1i48 h GLN 343 Cb 1.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 1i48 h GLN 343 CO 0.61 0.81 0.17 0.77 -0.67 0.00 0.00 178.83 180.52 1i48 h SER 344 N 0.00 0.00 -3.12 1.46 0.02 -1.92 -3.42 113.55 106.57 1i48 h SER 344 Ca -0.01 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 1i48 h SER 344 Cb 1.52 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.07 1i48 h SER 344 CO 0.11 0.00 0.62 -2.28 -1.14 0.00 0.00 176.83 174.14 1i48 s HIS 345 N -4.27 3.36 0.10 3.45 5.04 -1.14 -4.97 115.29 116.86 1i48 s HIS 345 Ca -0.04 1.16 -0.23 0.00 -1.54 0.00 0.00 55.06 54.41 1i48 s HIS 345 Cb 0.12 -3.52 -0.07 0.00 0.04 0.00 0.00 32.58 29.15 1i48 s HIS 345 CO 0.40 -1.71 1.39 -1.35 -2.34 0.00 0.00 174.74 171.13 1i48 h PRO 346 N 6.81 -0.22 -0.90 2.88 0.11 -1.90 -1.68 132.00 137.09 1i48 h PRO 346 Ca -0.42 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 1i48 h PRO 346 Cb 1.21 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 1i48 h PRO 346 CO 0.83 -0.15 0.13 -0.85 -0.21 0.00 0.00 178.00 177.75 1i48 n GLU 347 N -4.61 2.22 -0.33 1.05 0.00 -1.26 -4.49 120.64 113.22 1i48 n GLU 347 Ca -0.02 -1.37 0.15 0.00 0.00 0.00 0.00 57.16 55.92 1i48 n GLU 347 Cb 0.23 -1.70 0.34 0.00 0.00 0.00 0.00 31.44 30.31 1i48 n GLU 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1i48 h HIS 348 N 1.20 0.92 -0.86 -1.84 2.76 -1.56 0.16 115.15 115.92 1i48 h HIS 348 Ca 0.12 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1i48 h HIS 348 Cb 1.45 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 30.12 1i48 h HIS 348 CO 0.58 0.08 0.42 1.12 -1.30 0.00 0.00 177.93 178.83 1i48 h HIS 349 N 0.58 1.24 -0.43 5.26 2.07 -1.83 -1.52 115.15 120.51 1i48 h HIS 349 Ca 0.60 -0.06 -0.15 0.00 -2.85 0.00 0.00 60.37 57.91 1i48 h HIS 349 Cb 1.07 -0.38 -0.01 0.00 2.57 0.00 0.00 27.41 30.66 1i48 h HIS 349 CO -0.04 0.89 -0.30 0.82 -3.07 0.00 0.00 177.93 176.23 1i48 h ILE 350 N 1.23 1.27 -0.48 6.12 2.04 -1.15 -1.75 117.51 124.79 1i48 h ILE 350 Ca 0.30 -1.47 0.08 0.00 1.00 0.00 0.00 64.86 64.77 1i48 h ILE 350 Cb 0.11 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 1i48 h ILE 350 CO -0.04 0.50 0.10 0.00 0.00 0.00 0.00 178.15 178.71 1i48 h ALA 351 N 0.82 0.54 -0.49 1.87 0.00 -0.46 -0.60 119.26 120.93 1i48 h ALA 351 Ca 0.09 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1i48 h ALA 351 Cb 0.89 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1i48 h ALA 351 CO 0.08 -0.31 0.08 0.87 0.00 0.00 0.00 179.25 179.97 1i48 h LYS 352 N 0.23 0.82 -0.21 0.00 1.57 -1.15 0.23 116.57 118.07 1i48 h LYS 352 Ca 0.24 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1i48 h LYS 352 Cb 0.32 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1i48 h LYS 352 CO -0.31 0.82 -0.17 1.57 -0.57 0.00 0.00 179.45 180.79 1i48 h LYS 353 N 0.69 0.35 0.00 3.15 2.10 -0.41 -3.34 116.57 119.13 1i48 h LYS 353 Ca 0.15 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1i48 h LYS 353 Cb 0.40 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1i48 h LYS 353 CO 0.01 0.52 -1.22 0.00 -2.00 0.00 0.00 179.45 176.76 1i48 n GLN 354 N -4.21 0.73 -3.73 0.07 10.64 -0.32 -5.04 117.38 115.52 1i48 n GLN 354 Ca -0.00 -0.06 -0.20 0.00 -1.83 0.00 0.00 57.00 54.90 1i48 n GLN 354 Cb 0.32 -1.13 -0.02 0.00 -0.86 0.00 0.00 30.24 28.55 1i48 n GLN 354 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1i48 s MET 355 N -2.41 2.94 0.00 2.61 -1.94 0.81 -4.66 119.30 116.66 1i48 s MET 355 Ca -0.02 -1.13 0.00 0.00 -1.71 0.00 0.00 55.69 52.83 1i48 s MET 355 Cb 0.05 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.25 1i48 s MET 355 CO 0.30 0.14 0.16 0.25 -0.01 0.00 0.00 175.02 175.86 1i48 n THR 356 N -1.45 0.00 -4.02 2.05 -2.24 -0.65 -4.66 114.28 103.31 1i48 n THR 356 Ca -0.02 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 1i48 n THR 356 Cb 0.59 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1i48 n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i48 n GLY 357 N 0.52 2.03 1.08 3.38 0.00 -1.26 -5.03 105.19 105.91 1i48 n GLY 357 Ca 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.47 1i48 n GLY 357 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i48 n PHE 358 N -0.56 0.00 -1.02 1.61 3.72 -1.26 -4.99 117.46 114.96 1i48 n PHE 358 Ca -0.00 -0.48 0.14 0.00 -0.05 0.00 0.00 57.45 57.06 1i48 n PHE 358 Cb 0.58 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 1i48 n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i48 n GLY 359 N 0.12 -1.71 0.50 1.37 0.00 -1.26 -4.52 105.19 99.69 1i48 n GLY 359 Ca 0.06 -1.27 0.08 0.00 0.00 0.00 0.00 46.02 44.89 1i48 n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i48 n GLY 360 N -3.29 4.63 3.58 -0.02 0.00 -1.26 -4.03 105.19 104.81 1i48 n GLY 360 Ca 0.01 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 1i48 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 s ALA 361 N -2.94 3.22 -0.03 4.61 0.00 -1.26 -1.01 121.76 124.35 1i48 s ALA 361 Ca 0.37 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1i48 s ALA 361 Cb 0.32 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1i48 s ALA 361 CO 0.04 0.25 -0.02 0.08 0.00 0.00 0.00 175.76 176.11 1i48 s VAL 362 N 0.19 0.33 0.01 0.00 1.01 -0.17 -4.91 120.40 116.85 1i48 s VAL 362 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1i48 s VAL 362 Cb -0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1i48 s VAL 362 CO 0.02 0.16 -0.12 -0.44 0.00 0.00 0.00 175.10 174.72 1i48 s SER 363 N 0.78 4.22 -0.08 3.32 0.01 -1.15 -0.35 113.70 120.45 1i48 s SER 363 Ca -0.09 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 1i48 s SER 363 Cb -0.12 -0.86 0.08 0.00 0.21 0.00 0.00 66.02 65.33 1i48 s SER 363 CO -0.01 0.28 0.73 0.72 0.41 0.00 0.00 173.24 175.37 1i48 s PHE 364 N -0.93 -0.63 -0.12 2.43 -0.71 -0.21 0.66 117.98 118.48 1i48 s PHE 364 Ca 0.15 1.12 -0.12 0.00 -1.04 0.00 0.00 56.93 57.04 1i48 s PHE 364 Cb -0.11 0.40 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 1i48 s PHE 364 CO 0.06 -0.56 0.27 -1.21 -1.34 0.00 0.00 175.22 172.44 1i48 s GLU 365 N -1.05 3.98 0.10 1.99 2.02 -0.29 -0.47 118.70 124.98 1i48 s GLU 365 Ca -0.09 0.09 -0.15 0.00 0.02 0.00 0.00 54.97 54.84 1i48 s GLU 365 Cb -0.00 -3.32 -0.07 0.00 0.10 0.00 0.00 34.13 30.84 1i48 s GLU 365 CO 0.08 0.47 0.51 0.08 0.02 0.00 0.00 175.26 176.42 1i48 s VAL 366 N -0.24 4.90 -0.91 2.63 1.01 -1.19 -1.51 120.40 125.09 1i48 s VAL 366 Ca 0.17 0.84 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 1i48 s VAL 366 Cb -0.13 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 1i48 s VAL 366 CO 0.06 0.35 1.96 -0.67 0.00 0.00 0.00 175.10 176.79 1i48 n ASP 367 N 1.12 2.81 -0.34 3.32 2.03 0.13 -4.67 116.55 120.95 1i48 n ASP 367 Ca -0.08 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.53 1i48 n ASP 367 Cb 0.52 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1i48 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i48 n GLY 368 N 4.67 1.98 3.73 0.27 0.00 -1.26 -5.00 105.19 109.58 1i48 n GLY 368 Ca 0.49 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1i48 n GLY 368 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i48 s ASP 369 N 0.99 4.45 0.06 1.61 -4.77 -1.26 -4.80 116.67 112.96 1i48 s ASP 369 Ca 0.00 -1.03 -0.11 0.00 -3.30 0.00 0.00 52.55 48.11 1i48 s ASP 369 Cb 0.00 -0.52 -0.03 0.00 -1.09 0.00 0.00 42.92 41.29 1i48 s ASP 369 CO 0.00 -0.49 0.84 -0.11 0.70 0.00 0.00 175.17 176.11 1i48 n LEU 370 N -1.21 -0.38 -0.20 2.11 -0.00 -1.26 0.06 117.00 116.12 1i48 n LEU 370 Ca -0.01 0.93 -0.01 0.00 -0.00 0.00 0.00 56.01 56.92 1i48 n LEU 370 Cb 0.64 -0.23 0.10 0.00 -0.00 0.00 0.00 43.42 43.93 1i48 n LEU 370 CO 0.45 -0.67 1.01 -0.07 -0.00 0.00 0.00 177.39 178.11 1i48 h LEU 371 N 0.00 0.30 0.06 -1.96 -0.00 -1.96 -1.93 115.31 109.82 1i48 h LEU 371 Ca 0.06 0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1i48 h LEU 371 Cb 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1i48 h LEU 371 CO -0.34 0.19 -0.03 0.74 -0.00 0.00 0.00 178.44 179.00 1i48 h THR 372 N 0.46 0.99 -0.59 0.22 2.02 -0.75 -1.44 112.91 113.83 1i48 h THR 372 Ca 0.29 -0.15 0.12 0.00 0.77 0.00 0.00 66.41 67.44 1i48 h THR 372 Cb 0.31 1.09 -0.10 0.00 -1.74 0.00 0.00 68.15 67.71 1i48 h THR 372 CO -0.26 0.04 0.03 0.74 0.37 0.00 0.00 175.52 176.44 1i48 h THR 373 N -0.15 0.55 -0.12 3.16 2.02 -0.18 0.45 112.91 118.64 1i48 h THR 373 Ca -0.01 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.16 1i48 h THR 373 Cb 0.12 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1i48 h THR 373 CO 0.01 0.03 -0.14 0.00 0.37 0.00 0.00 175.52 175.79 1i48 h ALA 374 N 1.52 -0.06 -1.19 6.16 0.00 -1.04 0.40 119.26 125.05 1i48 h ALA 374 Ca 0.31 0.05 0.34 0.00 0.00 0.00 0.00 54.91 55.61 1i48 h ALA 374 Cb 0.48 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1i48 h ALA 374 CO -0.47 -0.60 0.78 -0.22 0.00 0.00 0.00 179.25 178.74 1i48 h LYS 375 N -0.18 0.21 0.28 0.00 3.64 0.16 0.16 116.57 120.85 1i48 h LYS 375 Ca 0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1i48 h LYS 375 Cb 0.31 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1i48 h LYS 375 CO -0.23 0.14 -0.13 0.35 -2.27 0.00 0.00 179.45 177.31 1i48 h PHE 376 N 0.22 -0.35 -1.01 1.91 3.57 -0.13 -2.28 116.94 118.87 1i48 h PHE 376 Ca 0.67 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 62.39 1i48 h PHE 376 Cb 2.05 0.12 -0.11 0.00 2.79 0.00 0.00 35.95 40.79 1i48 h PHE 376 CO -0.00 -0.22 0.61 -0.39 -2.23 0.00 0.00 178.31 176.08 1i48 h VAL 377 N -0.47 0.60 0.00 1.41 -1.51 -0.90 0.76 116.25 116.15 1i48 h VAL 377 Ca -0.04 -0.21 -0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1i48 h VAL 377 Cb 0.29 -0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 29.37 1i48 h VAL 377 CO 0.06 0.11 -0.02 0.44 -1.23 0.00 0.00 177.57 176.93 1i48 h ASP 378 N 0.62 0.00 0.42 4.19 3.32 -0.69 -2.03 116.42 122.25 1i48 h ASP 378 Ca 0.61 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.46 1i48 h ASP 378 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1i48 h ASP 378 CO -0.41 0.02 -0.86 0.00 -1.72 0.00 0.00 179.24 176.27 1i48 h ALA 379 N 1.98 0.49 -2.50 3.45 0.00 0.12 -3.46 119.26 119.34 1i48 h ALA 379 Ca -0.00 -0.69 -0.58 0.00 0.00 0.00 0.00 54.91 53.64 1i48 h ALA 379 Cb 0.05 -0.05 0.15 0.00 0.00 0.00 0.00 17.79 17.94 1i48 h ALA 379 CO 0.00 0.84 -0.07 1.28 0.00 0.00 0.00 179.25 181.30 1i48 n LEU 380 N -3.74 2.07 0.00 0.00 4.77 -0.76 -4.79 117.00 114.55 1i48 n LEU 380 Ca -0.05 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 1i48 n LEU 380 Cb 0.79 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1i48 n LEU 380 CO 0.49 -2.18 -0.21 0.29 -1.33 0.00 0.00 177.39 174.45 1i48 n LYS 381 N -0.15 3.95 -0.11 3.23 5.02 -1.26 -4.88 118.16 123.95 1i48 n LYS 381 Ca 0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.21 1i48 n LYS 381 Cb 0.43 -0.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.67 1i48 n LYS 381 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i48 n ILE 382 N -1.20 1.51 -1.82 -0.18 5.41 -1.26 -4.99 119.36 116.82 1i48 n ILE 382 Ca 0.00 -0.10 -0.34 0.00 1.00 0.00 0.00 62.75 63.31 1i48 n ILE 382 Cb 0.00 -2.12 0.04 0.00 -0.71 0.00 0.00 39.64 36.85 1i48 n ILE 382 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1i48 s PRO 383 N -2.65 2.83 -0.01 0.38 0.04 -1.26 -4.75 135.00 129.58 1i48 s PRO 383 Ca -0.32 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 1i48 s PRO 383 Cb 0.09 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1i48 s PRO 383 CO 0.45 -1.25 0.34 0.71 0.04 0.00 0.00 177.00 177.29 1i48 s TYR 384 N -2.15 3.67 -0.51 0.56 2.02 -0.36 -4.81 117.35 115.76 1i48 s TYR 384 Ca 0.69 0.82 -0.25 0.00 -0.37 0.00 0.00 57.07 57.96 1i48 s TYR 384 Cb -0.23 -2.17 0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1i48 s TYR 384 CO 0.39 0.64 0.98 0.42 -1.57 0.00 0.00 175.55 176.41 1i48 s ILE 385 N -1.14 4.37 -0.04 2.71 1.01 -1.26 -1.62 121.20 125.23 1i48 s ILE 385 Ca 0.24 0.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.19 1i48 s ILE 385 Cb -0.15 -4.52 0.12 0.00 0.01 0.00 0.00 42.46 37.92 1i48 s ILE 385 CO 0.12 -1.01 1.25 0.00 0.00 0.00 0.00 174.94 175.30 1i48 s ALA 386 N 4.01 -2.17 1.00 9.38 0.00 -0.91 -4.97 121.76 128.10 1i48 s ALA 386 Ca 0.36 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1i48 s ALA 386 Cb -0.10 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1i48 s ALA 386 CO 0.24 -0.96 0.00 -2.30 0.00 0.00 0.00 175.76 172.74 1i48 n PRO 387 N -0.40 1.76 -1.30 0.00 -0.02 -1.26 -4.49 135.00 129.28 1i48 n PRO 387 Ca -0.07 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.58 1i48 n PRO 387 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.05 1i48 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i48 n SER 388 N 0.00 -7.51 -3.71 2.55 2.88 -1.26 -4.96 113.62 101.61 1i48 n SER 388 Ca 0.00 0.73 0.04 0.00 -1.33 0.00 0.00 58.87 58.30 1i48 n SER 388 Cb 0.00 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 1i48 n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i48 s PHE 389 N -2.75 -0.00 0.00 0.66 -0.12 -1.26 -4.94 117.98 109.56 1i48 s PHE 389 Ca 0.00 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.85 1i48 s PHE 389 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1i48 s PHE 389 CO 0.00 -0.09 0.00 0.41 -0.05 0.00 0.00 175.22 175.49 1i48 n GLY 390 N -0.66 0.90 3.92 1.99 0.00 -1.26 -4.23 105.19 105.85 1i48 n GLY 390 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1i48 n GLY 390 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i48 s GLY 391 N -1.64 1.65 0.44 -0.02 0.00 -1.26 -4.24 107.32 102.25 1i48 s GLY 391 Ca 0.00 -0.78 0.13 0.00 0.00 0.00 0.00 44.72 44.07 1i48 s GLY 391 CO 0.00 -0.42 2.00 0.00 0.00 0.00 0.00 173.10 174.68 1i48 s GLU 393 N -5.37 4.52 0.58 0.00 8.01 -1.26 0.87 118.70 126.04 1i48 s GLU 393 Ca -0.07 1.10 -0.18 0.00 0.01 0.00 0.00 54.97 55.83 1i48 s GLU 393 Cb 0.19 -3.36 -0.04 0.00 -4.31 0.00 0.00 34.13 26.61 1i48 s GLU 393 CO 0.74 0.29 1.12 -1.12 0.01 0.00 0.00 175.26 176.30 1i48 s SER 394 N -0.11 5.56 -0.00 -0.19 0.01 -1.26 -4.36 113.70 113.35 1i48 s SER 394 Ca 0.39 2.10 -0.02 0.00 1.31 0.00 0.00 55.95 59.73 1i48 s SER 394 Cb -0.21 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.45 1i48 s SER 394 CO 0.24 -1.32 0.04 -0.63 0.41 0.00 0.00 173.24 171.97 1i48 s ILE 395 N -1.98 0.05 0.16 1.44 1.01 -0.25 -1.22 121.20 120.40 1i48 s ILE 395 Ca 0.70 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.98 1i48 s ILE 395 Cb -0.22 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1i48 s ILE 395 CO 0.31 -0.22 -0.05 0.68 0.00 0.00 0.00 174.94 175.67 1i48 s VAL 396 N -0.67 0.90 -0.09 2.92 -7.23 -0.64 0.06 120.40 115.65 1i48 s VAL 396 Ca -0.07 -2.01 -0.32 0.00 -1.81 0.00 0.00 61.98 57.77 1i48 s VAL 396 Cb -0.05 -1.97 0.12 0.00 0.56 0.00 0.00 36.38 35.05 1i48 s VAL 396 CO -0.00 -0.63 1.05 1.51 -0.31 0.00 0.00 175.10 176.72 1i48 s ASP 397 N -3.16 -0.25 -0.72 4.85 -4.77 -0.95 -2.15 116.67 109.52 1i48 s ASP 397 Ca 0.19 -0.01 0.02 0.00 -3.30 0.00 0.00 52.55 49.46 1i48 s ASP 397 Cb 0.05 0.26 0.18 0.00 -1.09 0.00 0.00 42.92 42.32 1i48 s ASP 397 CO 0.02 -0.43 0.53 -1.58 0.70 0.00 0.00 175.17 174.40 1i48 s GLN 398 N -2.77 2.61 0.13 2.11 0.74 -1.26 -1.94 119.66 119.28 1i48 s GLN 398 Ca 0.07 -3.13 -0.03 0.00 0.05 0.00 0.00 55.36 52.33 1i48 s GLN 398 Cb -0.01 -3.58 0.23 0.00 1.10 0.00 0.00 33.01 30.75 1i48 s GLN 398 CO -0.07 -1.24 0.70 -2.30 -0.55 0.00 0.00 175.29 171.84 1i48 n PRO 399 N 2.41 -0.04 -0.33 1.67 -0.02 -1.26 0.18 135.00 137.62 1i48 n PRO 399 Ca 0.16 0.70 0.22 0.00 -2.02 0.00 0.00 63.50 62.57 1i48 n PRO 399 Cb 0.35 -1.06 0.44 0.00 -0.02 0.00 0.00 33.50 33.22 1i48 n PRO 399 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i48 h ALA 400 N 0.90 1.80 0.00 3.55 0.00 -1.86 -1.03 119.26 122.62 1i48 h ALA 400 Ca 0.23 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1i48 h ALA 400 Cb 0.37 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1i48 h ALA 400 CO -0.46 -0.60 -0.77 -0.89 0.00 0.00 0.00 179.25 176.53 1i48 n ILE 401 N -5.14 1.30 -0.25 0.00 5.41 0.49 -0.14 119.36 121.02 1i48 n ILE 401 Ca 0.30 0.20 0.10 0.00 1.00 0.00 0.00 62.75 64.35 1i48 n ILE 401 Cb 0.95 -2.26 0.20 0.00 -0.71 0.00 0.00 39.64 37.82 1i48 n ILE 401 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1i48 n MET 402 N -4.25 -0.06 -0.44 0.38 1.56 0.27 -2.97 117.12 111.61 1i48 n MET 402 Ca -0.11 1.08 0.00 0.00 -0.27 0.00 0.00 57.70 58.40 1i48 n MET 402 Cb 0.40 -1.70 0.00 0.00 2.15 0.00 0.00 33.22 34.07 1i48 n MET 402 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1i48 n SER 403 N -5.00 0.00 0.00 6.12 3.41 -0.50 -4.86 113.62 112.78 1i48 n SER 403 Ca 0.16 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1i48 n SER 403 Cb 0.53 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1i48 n SER 403 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1i48 n TYR 404 N 0.00 0.00 0.32 7.33 4.02 -0.56 -4.76 117.16 123.50 1i48 n TYR 404 Ca 0.00 -0.05 0.20 0.00 -0.01 0.00 0.00 57.90 58.05 1i48 n TYR 404 Cb 0.61 -0.00 1.05 0.00 -0.02 0.00 0.00 39.34 40.97 1i48 n TYR 404 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1i48 h TRP 405 N 0.00 0.00 0.00 -0.72 -0.00 -0.43 0.11 115.95 114.91 1i48 h TRP 405 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1i48 h TRP 405 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.78 1i48 h TRP 405 CO 0.00 0.01 0.00 -0.40 -0.00 0.00 0.00 178.44 178.05 1i48 n ASP 406 N -3.21 0.48 -4.95 2.65 5.75 -1.26 -4.79 116.55 111.21 1i48 n ASP 406 Ca -0.02 0.60 -0.19 0.00 -0.01 0.00 0.00 54.79 55.17 1i48 n ASP 406 Cb 0.13 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.50 1i48 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i48 s LEU 407 N -4.02 3.69 0.42 -2.12 1.43 0.03 -5.11 118.68 113.00 1i48 s LEU 407 Ca 0.06 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.56 1i48 s LEU 407 Cb 0.10 -2.49 -0.10 0.00 0.03 0.00 0.00 46.19 43.74 1i48 s LEU 407 CO 0.40 -0.57 0.89 -0.94 0.23 0.00 0.00 176.35 176.35 1i48 s SER 408 N -4.19 6.80 0.43 2.29 1.04 -1.26 -4.84 113.70 113.96 1i48 s SER 408 Ca 0.48 1.52 0.25 0.00 0.48 0.00 0.00 55.95 58.68 1i48 s SER 408 Cb -0.08 -2.47 1.27 0.00 0.10 0.00 0.00 66.02 64.84 1i48 s SER 408 CO 0.30 -0.37 1.73 -0.61 0.98 0.00 0.00 173.24 175.27 1i48 h GLN 409 N 1.75 0.24 0.11 4.02 5.75 -1.96 0.34 115.11 125.35 1i48 h GLN 409 Ca -0.48 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1i48 h GLN 409 Cb 1.18 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1i48 h GLN 409 CO 0.62 0.16 -0.05 0.77 -2.65 0.00 0.00 178.83 177.68 1i48 h SER 410 N 0.24 -0.13 -0.31 -0.69 0.02 -1.99 -3.20 113.55 107.49 1i48 h SER 410 Ca 0.66 -0.30 0.09 0.00 -0.84 0.00 0.00 61.79 61.41 1i48 h SER 410 Cb 1.95 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.52 1i48 h SER 410 CO -0.29 0.47 0.26 0.44 -1.14 0.00 0.00 176.83 176.57 1i48 h ASP 411 N -0.98 0.00 0.14 3.07 3.32 -1.64 -1.20 116.42 119.13 1i48 h ASP 411 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1i48 h ASP 411 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1i48 h ASP 411 CO 0.03 0.00 -0.07 0.03 -1.72 0.00 0.00 179.24 177.51 1i48 h ARG 412 N 0.00 -0.19 -0.00 3.56 3.08 -0.45 -2.07 114.38 118.31 1i48 h ARG 412 Ca 0.15 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1i48 h ARG 412 Cb 0.67 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1i48 h ARG 412 CO -0.00 -0.03 0.04 0.00 -1.07 0.00 0.00 179.97 178.92 1i48 h ALA 413 N 0.53 1.04 -0.06 0.04 0.00 -1.22 -1.39 119.26 118.20 1i48 h ALA 413 Ca -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1i48 h ALA 413 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1i48 h ALA 413 CO 0.03 -0.04 0.21 -0.22 0.00 0.00 0.00 179.25 179.23 1i48 h LYS 414 N 0.00 0.00 -0.02 0.00 3.64 -1.15 -0.36 116.57 118.68 1i48 h LYS 414 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i48 h LYS 414 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1i48 h LYS 414 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1i48 n TYR 415 N -3.21 0.02 -0.14 1.91 4.01 -0.53 -4.98 117.16 114.24 1i48 n TYR 415 Ca -0.01 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1i48 n TYR 415 Cb 0.29 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1i48 n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i48 n GLY 416 N 0.20 0.90 3.55 2.72 0.00 -0.15 -5.00 105.19 107.41 1i48 n GLY 416 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1i48 n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i48 s ILE 417 N -2.49 3.27 0.16 -0.61 -1.09 -1.18 -4.93 121.20 114.33 1i48 s ILE 417 Ca 0.00 0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.55 1i48 s ILE 417 Cb 0.00 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1i48 s ILE 417 CO 0.00 -0.69 0.37 -0.04 -1.23 0.00 0.00 174.94 173.35 1i48 s MET 418 N 7.33 3.56 0.00 2.79 -1.94 -1.26 -3.94 119.30 125.84 1i48 s MET 418 Ca 0.75 -0.23 0.09 0.00 -1.71 0.00 0.00 55.69 54.59 1i48 s MET 418 Cb -0.14 -2.86 0.45 0.00 2.01 0.00 0.00 34.83 34.30 1i48 s MET 418 CO 0.22 0.45 1.12 -0.25 -0.01 0.00 0.00 175.02 176.56 1i48 n ASP 419 N -0.22 0.00 -0.07 3.03 9.92 -1.26 -1.91 116.55 126.04 1i48 n ASP 419 Ca -0.04 0.09 -0.10 0.00 -0.53 0.00 0.00 54.79 54.22 1i48 n ASP 419 Cb 0.52 -0.24 -0.08 0.00 -0.64 0.00 0.00 41.12 40.69 1i48 n ASP 419 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1i48 h ASN 420 N 0.00 0.00 -1.47 -2.24 -0.00 -1.89 -3.36 115.58 106.62 1i48 h ASN 420 Ca 0.00 -0.53 -0.65 0.00 -0.00 0.00 0.00 56.30 55.12 1i48 h ASN 420 Cb 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 38.32 38.50 1i48 h ASN 420 CO 0.00 0.88 -0.29 -0.11 -0.00 0.00 0.00 177.43 177.91 1i48 n LEU 421 N -4.64 -0.21 -3.75 0.34 7.94 -0.81 -3.17 117.00 112.70 1i48 n LEU 421 Ca -0.09 1.15 -0.15 0.00 -1.11 0.00 0.00 56.01 55.80 1i48 n LEU 421 Cb 0.33 -1.06 -0.16 0.00 0.53 0.00 0.00 43.42 43.06 1i48 n LEU 421 CO 0.19 -2.42 -0.32 -0.69 -1.11 0.00 0.00 177.39 173.04 1i48 s VAL 422 N -0.96 -0.07 -0.14 1.96 1.01 0.37 -4.46 120.40 118.12 1i48 s VAL 422 Ca 0.64 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.77 1i48 s VAL 422 Cb -0.87 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1i48 s VAL 422 CO 0.57 0.10 0.14 -0.13 0.00 0.00 0.00 175.10 175.78 1i48 s ARG 423 N 1.24 3.67 -0.20 2.72 0.52 -0.82 -1.04 118.95 125.05 1i48 s ARG 423 Ca -0.07 -0.15 -0.03 0.00 -0.52 0.00 0.00 55.73 54.96 1i48 s ARG 423 Cb -0.13 -3.26 0.06 0.00 0.52 0.00 0.00 34.95 32.14 1i48 s ARG 423 CO -0.04 0.63 0.03 0.12 0.02 0.00 0.00 175.30 176.07 1i48 s PHE 424 N -0.61 1.13 -0.70 -0.53 2.19 0.53 -2.24 117.98 117.75 1i48 s PHE 424 Ca 0.13 -0.93 -0.18 0.00 0.33 0.00 0.00 56.93 56.28 1i48 s PHE 424 Cb -0.12 -1.07 0.14 0.00 -1.31 0.00 0.00 43.02 40.66 1i48 s PHE 424 CO 0.02 -0.63 0.78 0.45 1.83 0.00 0.00 175.22 177.68 1i48 s SER 425 N 1.82 6.39 0.12 6.13 0.15 0.11 -1.00 113.70 127.42 1i48 s SER 425 Ca -0.01 -1.84 -0.31 0.00 0.70 0.00 0.00 55.95 54.48 1i48 s SER 425 Cb -0.17 -2.29 -0.11 0.00 -1.71 0.00 0.00 66.02 61.74 1i48 s SER 425 CO -0.08 -0.97 1.83 0.49 1.20 0.00 0.00 173.24 175.71 1i48 n PHE 426 N 5.79 2.61 0.00 3.44 3.72 -0.18 -1.09 117.46 131.75 1i48 n PHE 426 Ca 0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1i48 n PHE 426 Cb 0.44 -2.72 0.00 0.00 -0.94 0.00 0.00 39.48 36.26 1i48 n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i48 n GLY 427 N 4.21 -0.47 0.33 1.37 0.00 -1.26 -4.81 105.19 104.55 1i48 n GLY 427 Ca 0.18 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.93 1i48 n GLY 427 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i48 n VAL 428 N 0.00 0.42 -0.50 1.61 3.14 0.25 -4.65 118.33 118.61 1i48 n VAL 428 Ca 0.00 -0.71 -0.28 0.00 -2.96 0.00 0.00 64.34 60.39 1i48 n VAL 428 Cb 0.00 0.87 0.22 0.00 -1.06 0.00 0.00 33.84 33.88 1i48 n VAL 428 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1i48 n GLU 429 N 0.28 -2.69 -2.33 1.45 4.71 -1.25 -4.89 120.64 115.91 1i48 n GLU 429 Ca 0.05 -0.78 -0.41 0.00 -0.01 0.00 0.00 57.16 56.02 1i48 n GLU 429 Cb 0.25 -1.84 -0.03 0.00 -1.01 0.00 0.00 31.44 28.81 1i48 n GLU 429 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1i48 s ASP 430 N -2.26 7.06 0.02 1.62 2.15 -1.26 -4.93 116.67 119.07 1i48 s ASP 430 Ca 0.59 2.42 -0.05 0.00 0.43 0.00 0.00 52.55 55.94 1i48 s ASP 430 Cb -0.15 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 39.82 1i48 s ASP 430 CO 0.59 -0.32 1.08 0.15 -0.17 0.00 0.00 175.17 176.50 1i48 h PHE 431 N 3.87 -0.22 -0.82 -5.34 3.04 -1.98 -1.58 116.94 113.91 1i48 h PHE 431 Ca -0.47 0.01 0.15 0.00 3.98 0.00 0.00 57.97 61.63 1i48 h PHE 431 Cb 1.22 0.10 -0.15 0.00 2.56 0.00 0.00 35.95 39.68 1i48 h PHE 431 CO 0.58 -0.08 -0.29 -0.44 -2.02 0.00 0.00 178.31 176.06 1i48 h ASP 432 N -0.09 -1.05 -0.63 0.41 3.32 -1.98 0.47 116.42 116.87 1i48 h ASP 432 Ca 0.00 0.26 0.13 0.00 0.02 0.00 0.00 57.03 57.44 1i48 h ASP 432 Cb 0.10 0.60 -0.10 0.00 0.22 0.00 0.00 39.33 40.15 1i48 h ASP 432 CO -0.06 -0.29 0.08 0.44 -1.72 0.00 0.00 179.24 177.69 1i48 h ASP 433 N -0.04 -0.12 0.53 6.45 3.32 -1.88 0.27 116.42 124.94 1i48 h ASP 433 Ca 0.34 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.50 1i48 h ASP 433 Cb 0.60 0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1i48 h ASP 433 CO -0.85 -0.06 -0.26 -0.07 -1.72 0.00 0.00 179.24 176.29 1i48 h LEU 434 N 0.19 -0.60 -0.54 1.55 3.38 0.60 -2.69 115.31 117.20 1i48 h LEU 434 Ca 0.33 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1i48 h LEU 434 Cb 0.53 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 1i48 h LEU 434 CO -0.48 -0.22 -0.48 0.50 0.09 0.00 0.00 178.44 177.86 1i48 h LYS 435 N -1.08 -0.26 -0.77 1.13 3.64 0.13 0.22 116.57 119.58 1i48 h LYS 435 Ca -0.07 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.50 1i48 h LYS 435 Cb 0.61 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.36 1i48 h LYS 435 CO 0.12 -0.17 0.08 0.00 -2.27 0.00 0.00 179.45 177.21 1i48 h ALA 436 N 0.42 0.90 0.39 5.00 0.00 -0.55 0.41 119.26 125.83 1i48 h ALA 436 Ca 0.15 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1i48 h ALA 436 Cb 0.57 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1i48 h ALA 436 CO -0.67 -0.41 -0.24 0.22 0.00 0.00 0.00 179.25 178.15 1i48 h ASP 437 N 0.16 -0.61 -0.10 0.00 3.58 -0.29 -0.28 116.42 118.88 1i48 h ASP 437 Ca 0.43 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.96 1i48 h ASP 437 Cb 0.78 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.98 1i48 h ASP 437 CO -0.63 -0.39 -0.14 0.40 -2.88 0.00 0.00 179.24 175.61 1i48 h ILE 438 N -0.61 0.64 0.38 2.25 2.04 0.20 0.45 117.51 122.85 1i48 h ILE 438 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1i48 h ILE 438 Cb 0.50 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1i48 h ILE 438 CO 0.04 0.00 -0.43 -0.07 0.00 0.00 0.00 178.15 177.69 1i48 h LEU 439 N -0.18 -1.19 -0.64 1.44 3.38 -0.89 -1.55 115.31 115.68 1i48 h LEU 439 Ca 0.08 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.29 1i48 h LEU 439 Cb 0.30 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 1i48 h LEU 439 CO -0.20 -0.57 0.11 -0.61 0.09 0.00 0.00 178.44 177.25 1i48 h GLN 440 N -0.84 0.21 0.00 1.13 -0.00 -0.87 0.42 115.11 115.16 1i48 h GLN 440 Ca -0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1i48 h GLN 440 Cb 0.76 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.19 1i48 h GLN 440 CO -0.09 0.14 -0.00 0.00 0.00 0.00 0.00 178.83 178.87 1i48 h ALA 441 N 1.54 1.14 0.11 3.38 0.00 -0.42 -1.93 119.26 123.08 1i48 h ALA 441 Ca 0.35 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.92 1i48 h ALA 441 Cb 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1i48 h ALA 441 CO -0.47 0.00 -1.78 -0.07 0.00 0.00 0.00 179.25 176.94 1i48 h LEU 442 N 0.00 0.36 0.00 0.00 3.38 0.77 -3.29 115.31 116.53 1i48 h LEU 442 Ca -0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1i48 h LEU 442 Cb 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1i48 h LEU 442 CO 0.00 1.58 0.00 0.47 0.09 0.00 0.00 178.44 180.58 1i48 n ASP 443 N -3.41 0.00 -1.22 -0.43 9.92 -0.40 -1.33 116.55 119.68 1i48 n ASP 443 Ca -0.24 -0.30 0.08 0.00 -0.53 0.00 0.00 54.79 53.80 1i48 n ASP 443 Cb 1.05 -0.02 0.27 0.00 -0.64 0.00 0.00 41.12 41.78 1i48 n ASP 443 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1i48 n SER 444 N -1.02 3.55 0.00 -2.24 7.64 -1.16 -5.09 113.62 115.31 1i48 n SER 444 Ca 0.08 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.71 1i48 n SER 444 Cb 0.04 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1i48 n SER 444 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65