#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i03 n ARG 40 N 0.00 3.20 -2.84 1.43 -4.01 -1.26 -5.05 116.66 108.13 2i03 n ARG 40 Ca 0.00 0.00 -0.18 0.00 -1.04 0.00 0.00 57.85 56.63 2i03 n ARG 40 Cb 0.00 0.00 0.06 0.00 -3.04 0.00 0.00 32.46 29.48 2i03 n ARG 40 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 2i03 n LYS 41 N 0.00 0.65 -4.40 2.89 0.00 -1.25 -4.87 118.16 111.19 2i03 n LYS 41 Ca 0.00 -2.83 -0.29 0.00 -0.00 0.00 0.00 58.31 55.19 2i03 n LYS 41 Cb 0.00 -0.17 -0.06 0.00 -0.00 0.00 0.00 35.03 34.79 2i03 n LYS 41 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2i03 s THR 42 N -2.26 1.65 -0.63 0.58 -4.23 -1.26 0.12 115.64 109.62 2i03 s THR 42 Ca 0.53 -1.81 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 2i03 s THR 42 Cb -0.04 -2.46 0.05 0.00 1.34 0.00 0.00 72.50 71.39 2i03 s THR 42 CO 0.33 0.00 1.02 -0.47 -0.54 0.00 0.00 174.62 174.96 2i03 s TYR 43 N -2.77 2.65 0.75 3.99 5.04 -1.26 -4.84 117.35 120.91 2i03 s TYR 43 Ca 0.24 -0.21 -0.08 0.00 -2.44 0.00 0.00 57.07 54.58 2i03 s TYR 43 Cb 0.02 -4.27 0.08 0.00 0.35 0.00 0.00 41.96 38.14 2i03 s TYR 43 CO 0.14 -1.60 1.08 0.95 -1.34 0.00 0.00 175.55 174.78 2i03 s THR 44 N 4.34 2.17 0.21 4.34 -4.23 -1.26 -3.94 115.64 117.27 2i03 s THR 44 Ca 0.28 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.54 2i03 s THR 44 Cb -0.13 -2.98 0.08 0.00 1.34 0.00 0.00 72.50 70.80 2i03 s THR 44 CO 0.15 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.16 2i03 h LEU 45 N -0.80 0.93 -1.13 4.79 5.85 -1.95 -2.05 115.31 120.95 2i03 h LEU 45 Ca -0.44 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 57.97 2i03 h LEU 45 Cb 1.31 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2i03 h LEU 45 CO 0.59 1.01 0.13 0.74 -0.34 0.00 0.00 178.44 180.56 2i03 h THR 46 N 0.87 1.21 -0.67 1.05 2.02 -1.98 0.53 112.91 115.94 2i03 h THR 46 Ca 0.15 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.60 2i03 h THR 46 Cb 0.56 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2i03 h THR 46 CO 0.03 0.28 0.44 0.44 0.37 0.00 0.00 175.52 177.08 2i03 h ASP 47 N 0.72 0.76 -0.11 4.18 3.32 -1.76 0.44 116.42 123.97 2i03 h ASP 47 Ca 0.16 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2i03 h ASP 47 Cb 0.26 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2i03 h ASP 47 CO -0.00 0.55 -0.06 0.22 -1.72 0.00 0.00 179.24 178.23 2i03 h TYR 48 N 0.90 0.27 -0.21 4.55 3.20 -0.88 -1.44 116.97 123.36 2i03 h TYR 48 Ca 0.25 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.91 2i03 h TYR 48 Cb -0.09 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2i03 h TYR 48 CO -0.03 0.59 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.53 2i03 h LEU 49 N -0.12 0.58 -1.71 2.82 3.38 -0.68 -3.11 115.31 116.48 2i03 h LEU 49 Ca 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2i03 h LEU 49 Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2i03 h LEU 49 CO 0.02 0.97 0.00 0.29 0.09 0.00 0.00 178.44 179.80 2i03 n LYS 50 N -3.99 2.14 -3.92 1.13 4.76 0.15 -4.97 118.16 113.46 2i03 n LYS 50 Ca -0.02 -1.70 -0.31 0.00 -2.87 0.00 0.00 58.31 53.40 2i03 n LYS 50 Cb 0.56 -1.46 -0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2i03 n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2i03 n ASN 51 N 0.96 -2.38 0.03 4.39 4.05 -0.60 -4.88 115.26 116.83 2i03 n ASN 51 Ca 0.17 -1.08 -0.06 0.00 0.45 0.00 0.00 54.58 54.06 2i03 n ASN 51 Cb 0.49 -2.80 0.13 0.00 1.23 0.00 0.00 39.78 38.84 2i03 n ASN 51 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2i03 h THR 52 N -1.98 1.31 -3.60 -0.44 1.35 -1.68 -3.36 112.91 104.51 2i03 h THR 52 Ca -0.66 -1.63 -0.78 0.00 -0.55 0.00 0.00 66.41 62.80 2i03 h THR 52 Cb 1.38 1.66 -0.29 0.00 -1.73 0.00 0.00 68.15 69.17 2i03 h THR 52 CO 0.57 0.50 0.23 -0.31 -0.25 0.00 0.00 175.52 176.26 2i03 s TYR 53 N -4.13 4.03 0.19 4.73 2.02 -1.26 -5.05 117.35 117.87 2i03 s TYR 53 Ca -0.06 -2.55 -0.30 0.00 -0.37 0.00 0.00 57.07 53.78 2i03 s TYR 53 Cb 0.12 -3.71 -0.08 0.00 -0.40 0.00 0.00 41.96 37.90 2i03 s TYR 53 CO 0.81 -0.92 1.16 0.50 -1.57 0.00 0.00 175.55 175.53 2i03 s ARG 54 N -0.82 4.53 0.04 -0.62 6.06 -1.26 -5.04 118.95 121.84 2i03 s ARG 54 Ca 0.26 1.83 -0.18 0.00 -2.50 0.00 0.00 55.73 55.13 2i03 s ARG 54 Cb -0.10 -3.25 -0.06 0.00 0.06 0.00 0.00 34.95 31.60 2i03 s ARG 54 CO -0.09 -0.02 0.54 -0.51 -2.50 0.00 0.00 175.30 172.72 2i03 s LEU 55 N -0.35 4.49 0.08 -0.88 1.43 -1.26 -4.79 118.68 117.40 2i03 s LEU 55 Ca 0.51 1.17 -0.07 0.00 -1.03 0.00 0.00 54.13 54.72 2i03 s LEU 55 Cb -0.32 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 2i03 s LEU 55 CO 0.36 0.25 0.34 -0.54 0.23 0.00 0.00 176.35 177.00 2i03 s LYS 56 N -0.91 3.64 0.30 1.70 1.02 -1.26 -5.10 119.74 119.13 2i03 s LYS 56 Ca 0.28 -0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.30 2i03 s LYS 56 Cb -0.19 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 2i03 s LYS 56 CO 0.17 0.55 0.01 -0.51 -0.92 0.00 0.00 175.35 174.65 2i03 s LEU 57 N -2.18 2.34 -0.44 3.17 1.43 -1.26 -4.92 118.68 116.83 2i03 s LEU 57 Ca 0.35 -1.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.21 2i03 s LEU 57 Cb -0.13 -0.50 0.21 0.00 0.03 0.00 0.00 46.19 45.80 2i03 s LEU 57 CO 0.20 -0.49 0.46 0.00 0.23 0.00 0.00 176.35 176.76 2i03 n TYR 58 N -0.64 0.01 -2.67 0.29 4.19 -1.26 -5.02 117.16 112.05 2i03 n TYR 58 Ca -0.04 -3.56 -0.43 0.00 3.31 0.00 0.00 57.90 57.18 2i03 n TYR 58 Cb 0.65 -0.13 -0.03 0.00 0.49 0.00 0.00 39.34 40.33 2i03 n TYR 58 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 2i03 s SER 59 N -0.78 6.58 0.26 2.98 0.01 -1.26 -5.02 113.70 116.47 2i03 s SER 59 Ca 0.34 0.32 0.11 0.00 1.31 0.00 0.00 55.95 58.03 2i03 s SER 59 Cb 0.10 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 2i03 s SER 59 CO -0.15 -1.20 -0.14 -1.48 0.41 0.00 0.00 173.24 170.68 2i03 s LEU 60 N 4.25 2.77 -0.18 2.44 0.05 -1.26 -4.30 118.68 122.44 2i03 s LEU 60 Ca 0.44 -0.88 -0.01 0.00 0.05 0.00 0.00 54.13 53.73 2i03 s LEU 60 Cb -0.08 -1.31 0.05 0.00 -2.05 0.00 0.00 46.19 42.80 2i03 s LEU 60 CO 0.30 0.04 -0.03 -0.60 -0.55 0.00 0.00 176.35 175.51 2i03 s ARG 61 N -3.45 1.21 -0.08 1.48 3.00 0.19 -4.91 118.95 116.40 2i03 s ARG 61 Ca 0.29 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.73 54.19 2i03 s ARG 61 Cb -0.06 -2.08 -0.05 0.00 0.00 0.00 0.00 34.95 32.76 2i03 s ARG 61 CO 0.16 -0.51 1.66 -1.58 0.00 0.00 0.00 175.30 175.03 2i03 s TRP 62 N 1.67 1.97 -0.79 5.12 0.52 -1.26 0.35 118.94 126.53 2i03 s TRP 62 Ca -0.01 0.24 0.21 0.00 0.02 0.00 0.00 56.10 56.57 2i03 s TRP 62 Cb -0.16 -3.92 -0.22 0.00 -1.15 0.00 0.00 33.47 28.01 2i03 s TRP 62 CO -0.07 -3.74 0.83 0.44 0.02 0.00 0.00 176.95 174.43 2i03 n ILE 63 N 5.64 0.01 -2.12 2.03 -5.35 -0.71 -4.86 119.36 114.00 2i03 n ILE 63 Ca 0.18 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 2i03 n ILE 63 Cb 0.43 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 2i03 n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2i03 n SER 64 N -1.68 0.00 -0.25 7.28 3.41 -1.14 -4.98 113.62 116.26 2i03 n SER 64 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.75 2i03 n SER 64 Cb 0.38 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.48 2i03 n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2i03 n ASP 65 N 0.00 1.27 0.00 4.04 2.03 -1.26 -1.55 116.55 121.08 2i03 n ASP 65 Ca 0.00 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.29 2i03 n ASP 65 Cb 0.00 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2i03 n ASP 65 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2i03 n HIS 66 N -0.72 0.00 -4.30 -0.67 -0.00 -1.26 -4.45 115.22 103.82 2i03 n HIS 66 Ca 0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.65 2i03 n HIS 66 Cb 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.27 2i03 n HIS 66 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2i03 s GLU 67 N -1.21 1.24 0.11 -0.41 2.02 -1.26 -1.09 118.70 118.10 2i03 s GLU 67 Ca 0.00 -1.58 -0.08 0.00 0.02 0.00 0.00 54.97 53.32 2i03 s GLU 67 Cb 0.00 -0.69 -0.01 0.00 0.10 0.00 0.00 34.13 33.54 2i03 s GLU 67 CO 0.00 0.00 0.20 1.52 0.02 0.00 0.00 175.26 177.00 2i03 s TYR 68 N -3.32 0.26 -0.11 1.61 -0.85 -1.05 -1.74 117.35 112.14 2i03 s TYR 68 Ca 0.23 -0.67 -0.03 0.00 -0.52 0.00 0.00 57.07 56.08 2i03 s TYR 68 Cb 0.04 -0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 2i03 s TYR 68 CO 0.05 -0.58 0.01 -0.51 -1.52 0.00 0.00 175.55 173.00 2i03 s LEU 69 N -2.90 3.59 -0.22 -3.49 1.43 0.16 -0.88 118.68 116.37 2i03 s LEU 69 Ca 0.09 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 2i03 s LEU 69 Cb 0.05 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.49 2i03 s LEU 69 CO -0.08 0.33 -0.01 -0.47 0.23 0.00 0.00 176.35 176.35 2i03 s TYR 70 N -0.56 1.78 0.54 0.29 5.04 -0.18 -0.64 117.35 123.63 2i03 s TYR 70 Ca 0.10 -1.36 -0.15 0.00 -2.44 0.00 0.00 57.07 53.22 2i03 s TYR 70 Cb -0.12 -1.34 -0.07 0.00 0.35 0.00 0.00 41.96 40.79 2i03 s TYR 70 CO 0.02 -0.70 1.00 0.15 -1.34 0.00 0.00 175.55 174.67 2i03 s LYS 71 N 1.60 3.84 0.27 4.97 1.02 -1.26 -1.73 119.74 128.45 2i03 s LYS 71 Ca -0.03 0.88 0.02 0.00 0.02 0.00 0.00 55.97 56.86 2i03 s LYS 71 Cb -0.18 -2.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.95 2i03 s LYS 71 CO -0.07 -0.36 0.07 -0.65 -0.92 0.00 0.00 175.35 173.42 2i03 s GLN 72 N -4.41 1.47 0.65 1.68 -0.21 -0.99 -4.94 119.66 112.90 2i03 s GLN 72 Ca 0.58 -1.79 0.29 0.00 0.02 0.00 0.00 55.36 54.46 2i03 s GLN 72 Cb -0.10 -0.50 1.60 0.00 1.00 0.00 0.00 33.01 35.00 2i03 s GLN 72 CO 0.38 -0.23 1.90 1.49 -2.12 0.00 0.00 175.29 176.71 2i03 h GLU 73 N 2.32 0.00 0.00 2.91 4.81 -2.06 -3.37 114.58 119.20 2i03 h GLU 73 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2i03 h GLU 73 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2i03 h GLU 73 CO 0.64 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 179.01 2i03 n ASN 74 N -2.84 0.00 -4.93 1.04 3.02 -1.26 -5.09 115.26 105.19 2i03 n ASN 74 Ca -0.02 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.28 2i03 n ASN 74 Cb 0.37 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.53 2i03 n ASN 74 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i03 s ASN 75 N 0.12 6.24 -0.22 6.41 2.20 -1.26 -4.38 114.94 124.05 2i03 s ASN 75 Ca 0.00 0.61 -0.11 0.00 -0.94 0.00 0.00 52.86 52.42 2i03 s ASN 75 Cb 0.00 -2.07 -0.05 0.00 -2.00 0.00 0.00 41.25 37.13 2i03 s ASN 75 CO 0.00 -0.43 0.18 -0.63 -2.94 0.00 0.00 177.10 173.27 2i03 s ILE 76 N -2.49 5.36 0.24 0.54 1.01 -0.98 -2.34 121.20 122.54 2i03 s ILE 76 Ca 0.43 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.40 2i03 s ILE 76 Cb -0.10 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2i03 s ILE 76 CO 0.39 0.37 0.17 -0.76 0.00 0.00 0.00 174.94 175.11 2i03 s LEU 77 N 0.85 3.74 -0.13 2.97 1.43 -0.70 0.75 118.68 127.58 2i03 s LEU 77 Ca 0.09 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2i03 s LEU 77 Cb -0.13 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2i03 s LEU 77 CO 0.03 -0.02 -0.20 0.54 0.23 0.00 0.00 176.35 176.92 2i03 s VAL 78 N -2.11 1.92 0.09 -1.59 0.11 0.25 -1.01 120.40 118.07 2i03 s VAL 78 Ca 0.32 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2i03 s VAL 78 Cb -0.08 -1.71 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 2i03 s VAL 78 CO 0.24 0.52 0.05 -0.36 -3.33 0.00 0.00 175.10 172.22 2i03 s PHE 79 N 0.86 3.10 -0.48 1.54 0.08 -0.06 -1.92 117.98 121.10 2i03 s PHE 79 Ca -0.07 0.03 -0.13 0.00 0.12 0.00 0.00 56.93 56.88 2i03 s PHE 79 Cb -0.15 -1.58 0.10 0.00 -0.57 0.00 0.00 43.02 40.82 2i03 s PHE 79 CO -0.02 0.50 0.39 1.21 -0.10 0.00 0.00 175.22 177.20 2i03 s ASN 80 N -2.41 5.94 0.32 1.36 3.84 -0.72 -2.52 114.94 120.76 2i03 s ASN 80 Ca 0.28 -1.65 0.10 0.00 0.21 0.00 0.00 52.86 51.80 2i03 s ASN 80 Cb -0.12 -2.11 0.96 0.00 -0.55 0.00 0.00 41.25 39.43 2i03 s ASN 80 CO 0.21 -0.70 1.65 0.00 -2.79 0.00 0.00 177.10 175.47 2i03 h ALA 81 N 8.65 1.70 0.41 1.71 0.00 -1.44 0.71 119.26 131.00 2i03 h ALA 81 Ca -0.26 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2i03 h ALA 81 Cb 1.09 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2i03 h ALA 81 CO 0.90 -0.55 -0.20 1.49 0.00 0.00 0.00 179.25 180.89 2i03 h GLU 82 N 0.27 -0.54 0.00 0.00 4.57 -1.94 -3.37 114.58 113.58 2i03 h GLU 82 Ca 0.67 0.04 -0.36 0.00 -1.18 0.00 0.00 59.36 58.52 2i03 h GLU 82 Cb 1.48 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 30.13 2i03 h GLU 82 CO -0.64 -0.30 -2.33 0.66 -1.18 0.00 0.00 179.01 175.23 2i03 n TYR 83 N -5.29 0.12 0.00 0.92 4.01 -0.98 -5.01 117.16 110.93 2i03 n TYR 83 Ca -0.11 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2i03 n TYR 83 Cb 0.26 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.27 2i03 n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i03 n GLY 84 N 1.79 0.76 3.76 2.72 0.00 0.24 -5.04 105.19 109.42 2i03 n GLY 84 Ca -0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 2i03 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i03 s ASN 85 N -1.80 5.58 0.18 1.61 4.22 -1.26 -4.60 114.94 118.87 2i03 s ASN 85 Ca 0.00 2.54 0.01 0.00 -2.14 0.00 0.00 52.86 53.27 2i03 s ASN 85 Cb 0.00 -2.62 -0.05 0.00 1.28 0.00 0.00 41.25 39.87 2i03 s ASN 85 CO 0.00 -1.34 0.03 -0.94 -2.04 0.00 0.00 177.10 172.81 2i03 s SER 86 N -1.20 1.05 0.11 3.54 1.04 -1.26 -1.75 113.70 115.23 2i03 s SER 86 Ca 0.70 -1.22 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 2i03 s SER 86 Cb -0.35 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 2i03 s SER 86 CO 0.41 -0.62 0.08 -0.44 0.98 0.00 0.00 173.24 173.64 2i03 s SER 87 N -3.18 0.30 -0.09 7.02 0.01 -0.81 -4.96 113.70 112.00 2i03 s SER 87 Ca 0.26 -1.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.19 2i03 s SER 87 Cb 0.07 0.30 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 2i03 s SER 87 CO 0.05 -0.72 1.00 -0.69 0.41 0.00 0.00 173.24 173.30 2i03 s VAL 88 N -3.98 4.80 -0.03 3.43 1.01 -1.26 -0.58 120.40 123.79 2i03 s VAL 88 Ca 0.16 2.05 -0.16 0.00 0.00 0.00 0.00 61.98 64.03 2i03 s VAL 88 Cb 0.07 -4.31 -0.32 0.00 0.00 0.00 0.00 36.38 31.81 2i03 s VAL 88 CO -0.03 0.03 0.82 0.15 0.00 0.00 0.00 175.10 176.07 2i03 h PHE 89 N 7.04 0.74 -1.84 5.22 3.04 0.04 -3.46 116.94 127.72 2i03 h PHE 89 Ca -0.33 -0.54 0.07 0.00 3.98 0.00 0.00 57.97 61.15 2i03 h PHE 89 Cb 1.16 -0.03 -0.22 0.00 2.56 0.00 0.00 35.95 39.42 2i03 h PHE 89 CO 0.71 1.54 0.05 -0.48 -2.02 0.00 0.00 178.31 178.10 2i03 s LEU 90 N -7.58 -0.91 0.63 0.59 -0.00 -1.11 -5.02 118.68 105.27 2i03 s LEU 90 Ca -0.14 1.37 -0.18 0.00 -0.00 0.00 0.00 54.13 55.18 2i03 s LEU 90 Cb 0.04 2.20 -0.02 0.00 -0.00 0.00 0.00 46.19 48.41 2i03 s LEU 90 CO 0.87 -0.21 1.24 -0.70 -0.00 0.00 0.00 176.35 177.55 2i03 s GLU 91 N 2.06 2.71 0.14 1.48 2.56 -1.26 -2.33 118.70 124.06 2i03 s GLU 91 Ca -0.08 1.90 -0.16 0.00 0.00 0.00 0.00 54.97 56.63 2i03 s GLU 91 Cb -0.07 -1.89 -0.00 0.00 2.00 0.00 0.00 34.13 34.17 2i03 s GLU 91 CO -0.19 -1.43 1.70 -2.95 -0.56 0.00 0.00 175.26 171.83 2i03 h ASN 92 N 0.60 0.54 -0.33 -1.70 -1.07 -1.92 -2.79 115.58 108.91 2i03 h ASN 92 Ca -0.50 -0.15 0.10 0.00 0.07 0.00 0.00 56.30 55.82 2i03 h ASN 92 Cb 1.31 -0.14 -0.01 0.00 -2.07 0.00 0.00 38.32 37.41 2i03 h ASN 92 CO 0.54 0.54 0.26 0.77 0.07 0.00 0.00 177.43 179.61 2i03 h SER 93 N 0.51 0.00 -0.65 6.14 4.64 -1.92 -3.14 113.55 119.12 2i03 h SER 93 Ca 0.14 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.70 2i03 h SER 93 Cb 0.16 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.13 2i03 h SER 93 CO -0.01 0.00 0.25 0.41 -0.87 0.00 0.00 176.83 176.60 2i03 n THR 94 N -4.26 -0.27 -1.66 2.95 -1.04 -1.05 0.79 114.28 109.74 2i03 n THR 94 Ca 0.05 1.35 -0.18 0.00 -2.04 0.00 0.00 64.05 63.23 2i03 n THR 94 Cb 0.43 -2.12 0.11 0.00 -1.82 0.00 0.00 70.33 66.93 2i03 n THR 94 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2i03 n PHE 95 N -4.58 2.13 -0.29 -1.42 3.72 -1.19 -4.73 117.46 111.10 2i03 n PHE 95 Ca 0.22 -2.13 -0.05 0.00 -0.05 0.00 0.00 57.45 55.44 2i03 n PHE 95 Cb 0.73 -0.62 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 2i03 n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2i03 h ASP 96 N 1.66 1.00 -0.83 4.37 3.32 0.18 -3.00 116.42 123.12 2i03 h ASP 96 Ca 0.35 -0.12 -0.57 0.00 0.02 0.00 0.00 57.03 56.72 2i03 h ASP 96 Cb 1.43 -0.26 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 2i03 h ASP 96 CO 0.76 0.83 0.10 -1.84 -1.72 0.00 0.00 179.24 177.37 2i03 n GLU 97 N -4.40 2.94 0.13 3.56 0.28 -1.26 -4.53 120.64 117.35 2i03 n GLU 97 Ca 0.07 -3.61 -0.01 0.00 -0.16 0.00 0.00 57.16 53.44 2i03 n GLU 97 Cb 0.11 -2.23 0.21 0.00 1.43 0.00 0.00 31.44 30.97 2i03 n GLU 97 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2i03 h PHE 98 N 1.91 0.13 0.00 -1.84 3.57 -1.87 -3.47 116.94 115.38 2i03 h PHE 98 Ca 0.47 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2i03 h PHE 98 Cb 1.28 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2i03 h PHE 98 CO 1.17 0.60 0.00 0.41 -2.23 0.00 0.00 178.31 178.26 2i03 n GLY 99 N -0.00 0.78 2.88 2.40 0.00 -1.26 -5.04 105.19 104.95 2i03 n GLY 99 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2i03 n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i03 s HIS 100 N -2.90 0.00 -0.26 1.61 3.76 -1.26 -5.10 115.29 111.14 2i03 s HIS 100 Ca 0.00 0.00 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 2i03 s HIS 100 Cb 0.00 -0.00 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 2i03 s HIS 100 CO 0.00 -0.01 1.49 0.45 -0.85 0.00 0.00 174.74 175.82 2i03 s SER 101 N -0.04 6.47 -0.29 1.40 0.15 -1.26 -4.96 113.70 115.17 2i03 s SER 101 Ca -0.01 1.41 -0.18 0.00 0.70 0.00 0.00 55.95 57.87 2i03 s SER 101 Cb -0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2i03 s SER 101 CO -0.00 -1.21 0.54 -0.63 1.20 0.00 0.00 173.24 173.14 2i03 s ILE 102 N 4.95 5.03 -2.16 6.45 1.01 -1.26 -4.36 121.20 130.85 2i03 s ILE 102 Ca 0.65 0.78 0.24 0.00 0.00 0.00 0.00 60.65 62.32 2i03 s ILE 102 Cb -0.21 -3.89 0.12 0.00 0.01 0.00 0.00 42.46 38.48 2i03 s ILE 102 CO 0.27 -0.02 1.26 -0.46 0.00 0.00 0.00 174.94 175.99 2i03 n ASN 103 N 5.66 1.94 -3.61 3.58 6.94 -0.37 -4.96 115.26 124.43 2i03 n ASN 103 Ca -0.03 -1.46 -0.12 0.00 -0.02 0.00 0.00 54.58 52.95 2i03 n ASN 103 Cb 0.49 0.30 -0.07 0.00 -2.36 0.00 0.00 39.78 38.15 2i03 n ASN 103 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2i03 s ASP 104 N -2.38 -0.54 0.32 0.53 -1.08 -1.19 -5.03 116.67 107.31 2i03 s ASP 104 Ca 0.22 0.93 0.09 0.00 -0.52 0.00 0.00 52.55 53.27 2i03 s ASP 104 Cb 0.19 0.90 -0.05 0.00 -1.46 0.00 0.00 42.92 42.50 2i03 s ASP 104 CO 0.50 -0.25 0.05 -0.31 0.52 0.00 0.00 175.17 175.68 2i03 s TYR 105 N -0.10 2.64 -0.29 -5.34 1.51 -1.26 -0.36 117.35 114.16 2i03 s TYR 105 Ca 0.00 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 2i03 s TYR 105 Cb -0.04 -1.46 0.19 0.00 -0.11 0.00 0.00 41.96 40.54 2i03 s TYR 105 CO -0.01 0.47 0.54 0.45 -1.11 0.00 0.00 175.55 175.88 2i03 s SER 106 N -3.75 -1.05 0.19 2.29 0.15 -0.25 -4.94 113.70 106.34 2i03 s SER 106 Ca 0.35 0.13 -0.27 0.00 0.70 0.00 0.00 55.95 56.86 2i03 s SER 106 Cb -0.03 1.79 -0.08 0.00 -1.71 0.00 0.00 66.02 65.99 2i03 s SER 106 CO 0.21 -0.31 0.84 -0.63 1.20 0.00 0.00 173.24 174.55 2i03 s ILE 107 N 2.75 4.28 0.62 6.45 1.01 -1.26 0.45 121.20 135.50 2i03 s ILE 107 Ca 0.11 1.86 -0.17 0.00 0.00 0.00 0.00 60.65 62.46 2i03 s ILE 107 Cb -0.11 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 2i03 s ILE 107 CO -0.26 0.50 1.12 -0.94 0.00 0.00 0.00 174.94 175.36 2i03 s SER 108 N -1.06 5.33 0.00 3.58 1.04 0.47 -4.82 113.70 118.24 2i03 s SER 108 Ca 0.38 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2i03 s SER 108 Cb -0.24 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.32 2i03 s SER 108 CO 0.28 -1.48 0.40 -0.81 0.98 0.00 0.00 173.24 172.62 2i03 n PRO 109 N -1.99 0.65 -0.07 4.02 -0.04 -1.25 -0.91 135.00 135.40 2i03 n PRO 109 Ca 0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2i03 n PRO 109 Cb 0.52 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 2i03 n PRO 109 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2i03 n ASP 110 N 0.29 2.20 0.00 3.54 2.03 -1.19 -4.66 116.55 118.76 2i03 n ASP 110 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2i03 n ASP 110 Cb 0.20 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2i03 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i03 n GLY 111 N 2.43 2.91 0.13 0.27 0.00 -0.09 -4.88 105.19 105.97 2i03 n GLY 111 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 2i03 n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2i03 h GLN 112 N 2.18 0.03 -4.89 1.61 4.20 -1.93 -3.46 115.11 112.85 2i03 h GLN 112 Ca 0.00 -0.03 -0.30 0.00 0.06 0.00 0.00 58.65 58.39 2i03 h GLN 112 Cb 0.00 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 27.61 2i03 h GLN 112 CO 0.00 0.68 -0.72 -0.06 -0.67 0.00 0.00 178.83 178.06 2i03 s PHE 113 N -3.53 1.02 -0.10 2.96 0.08 -1.26 -0.96 117.98 116.19 2i03 s PHE 113 Ca -0.01 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 56.35 2i03 s PHE 113 Cb 0.12 -0.56 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 2i03 s PHE 113 CO 0.77 -0.03 -0.12 0.42 -0.10 0.00 0.00 175.22 176.17 2i03 s ILE 114 N -2.66 1.29 -0.14 0.64 1.01 -0.63 -0.39 121.20 120.32 2i03 s ILE 114 Ca 0.07 -0.50 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 2i03 s ILE 114 Cb -0.01 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 2i03 s ILE 114 CO -0.01 0.40 0.62 -0.22 0.00 0.00 0.00 174.94 175.74 2i03 s LEU 115 N 1.18 4.23 -0.26 2.97 2.96 0.17 -1.47 118.68 128.46 2i03 s LEU 115 Ca -0.04 0.95 -0.06 0.00 -0.22 0.00 0.00 54.13 54.76 2i03 s LEU 115 Cb -0.14 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 2i03 s LEU 115 CO -0.03 -0.16 0.05 -0.76 -1.32 0.00 0.00 176.35 174.12 2i03 s LEU 116 N 1.26 3.46 -0.23 -0.68 1.43 0.14 -1.09 118.68 122.97 2i03 s LEU 116 Ca 0.31 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 2i03 s LEU 116 Cb -0.16 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2i03 s LEU 116 CO 0.13 -0.09 0.25 -0.70 0.23 0.00 0.00 176.35 176.17 2i03 s GLU 117 N 1.55 4.09 0.30 1.70 2.12 0.52 -2.13 118.70 126.84 2i03 s GLU 117 Ca 0.05 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.22 2i03 s GLU 117 Cb -0.16 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 2i03 s GLU 117 CO 0.02 -0.01 0.42 1.52 -0.54 0.00 0.00 175.26 176.67 2i03 s TYR 118 N 1.25 0.93 -1.43 5.30 1.13 -0.73 -1.24 117.35 122.57 2i03 s TYR 118 Ca 0.11 -1.18 -0.09 0.00 -1.41 0.00 0.00 57.07 54.50 2i03 s TYR 118 Cb -0.14 -0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.64 2i03 s TYR 118 CO 0.06 -1.03 1.03 0.09 -2.51 0.00 0.00 175.55 173.19 2i03 n ASN 119 N -1.02 -5.98 -4.73 -0.18 3.02 -1.26 0.27 115.26 105.38 2i03 n ASN 119 Ca 0.01 -0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 53.60 2i03 n ASN 119 Cb 0.62 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.02 2i03 n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2i03 s TYR 120 N -3.28 3.03 -0.15 3.10 5.04 -1.26 -4.22 117.35 119.61 2i03 s TYR 120 Ca 0.55 0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 55.89 2i03 s TYR 120 Cb -0.25 -3.91 0.05 0.00 0.35 0.00 0.00 41.96 38.21 2i03 s TYR 120 CO 0.68 -3.22 0.06 0.08 -1.34 0.00 0.00 175.55 171.82 2i03 s VAL 121 N 0.74 0.11 0.51 3.14 1.01 0.08 -5.01 120.40 120.98 2i03 s VAL 121 Ca 0.67 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.26 2i03 s VAL 121 Cb -0.43 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 2i03 s VAL 121 CO 0.36 -0.16 1.13 -0.75 0.00 0.00 0.00 175.10 175.67 2i03 s LYS 122 N 2.05 3.55 0.00 2.72 2.20 -1.26 -0.98 119.74 128.03 2i03 s LYS 122 Ca 0.02 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 2i03 s LYS 122 Cb -0.16 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 2i03 s LYS 122 CO -0.08 -0.69 0.00 0.94 -0.36 0.00 0.00 175.35 175.16 2i03 n GLN 123 N -0.98 0.00 0.00 4.03 7.27 -0.73 -4.88 117.38 122.08 2i03 n GLN 123 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 2i03 n GLN 123 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 2i03 n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2i03 n TRP 124 N 0.00 0.00 -0.33 3.69 5.03 -1.21 -4.95 117.44 119.67 2i03 n TRP 124 Ca 0.00 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.57 2i03 n TRP 124 Cb 0.00 0.00 0.19 0.00 -1.03 0.00 0.00 31.31 30.47 2i03 n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2i03 h ARG 125 N 0.00 0.90 0.00 -0.99 2.43 -1.98 -3.33 114.38 111.42 2i03 h ARG 125 Ca 0.00 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2i03 h ARG 125 Cb 0.00 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2i03 h ARG 125 CO 0.00 0.60 -1.29 0.72 -1.51 0.00 0.00 179.97 178.49 2i03 n HIS 126 N -4.66 0.00 -2.15 2.20 8.25 -1.26 -5.06 115.22 112.54 2i03 n HIS 126 Ca 0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.28 2i03 n HIS 126 Cb 0.29 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2i03 n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2i03 s SER 127 N -3.51 5.83 -0.22 0.41 1.04 -1.25 -4.68 113.70 111.32 2i03 s SER 127 Ca -0.02 1.91 -0.36 0.00 0.48 0.00 0.00 55.95 57.95 2i03 s SER 127 Cb 0.01 -2.55 0.15 0.00 0.10 0.00 0.00 66.02 63.73 2i03 s SER 127 CO 0.17 -1.13 1.30 -0.72 0.98 0.00 0.00 173.24 173.84 2i03 s TYR 128 N -2.25 -0.07 0.20 5.02 -0.85 -1.26 -1.77 117.35 116.37 2i03 s TYR 128 Ca 0.66 0.04 0.10 0.00 -0.52 0.00 0.00 57.07 57.35 2i03 s TYR 128 Cb -0.17 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 2i03 s TYR 128 CO 0.32 -0.12 -0.17 0.95 -1.52 0.00 0.00 175.55 175.01 2i03 s THR 129 N -2.24 2.71 0.29 -3.49 -4.23 -0.15 -4.62 115.64 103.91 2i03 s THR 129 Ca 0.11 -1.94 -0.19 0.00 -1.18 0.00 0.00 61.69 58.50 2i03 s THR 129 Cb -0.00 -2.34 0.07 0.00 1.34 0.00 0.00 72.50 71.57 2i03 s THR 129 CO -0.04 -0.16 0.93 0.00 -0.54 0.00 0.00 174.62 174.82 2i03 s ALA 130 N -1.80 -1.17 0.10 3.99 0.00 -0.87 -0.74 121.76 121.27 2i03 s ALA 130 Ca 0.24 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2i03 s ALA 130 Cb -0.08 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2i03 s ALA 130 CO 0.13 -1.03 0.04 -1.12 0.00 0.00 0.00 175.76 173.78 2i03 s SER 131 N -3.29 5.23 -0.01 0.00 0.01 0.14 -1.93 113.70 113.85 2i03 s SER 131 Ca 0.20 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.33 2i03 s SER 131 Cb -0.04 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.89 2i03 s SER 131 CO 0.09 0.16 -0.01 -0.31 0.41 0.00 0.00 173.24 173.57 2i03 s TYR 132 N -1.42 0.19 0.02 2.43 1.51 -1.26 -1.76 117.35 117.06 2i03 s TYR 132 Ca 0.28 -0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.37 2i03 s TYR 132 Cb -0.11 -0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.55 2i03 s TYR 132 CO 0.20 -0.03 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.94 2i03 s ASP 133 N 0.17 1.95 -0.00 2.29 1.01 -0.91 -4.29 116.67 116.89 2i03 s ASP 133 Ca -0.01 -0.39 -0.00 0.00 0.71 0.00 0.00 52.55 52.85 2i03 s ASP 133 Cb -0.03 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 2i03 s ASP 133 CO -0.00 0.14 0.07 -0.63 0.21 0.00 0.00 175.17 174.96 2i03 s ILE 134 N -0.62 4.66 -0.12 0.77 1.01 -1.26 -0.69 121.20 124.96 2i03 s ILE 134 Ca 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.27 2i03 s ILE 134 Cb -0.07 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.28 2i03 s ILE 134 CO 0.01 0.34 -0.14 -0.47 0.00 0.00 0.00 174.94 174.68 2i03 s TYR 135 N -1.19 1.98 -0.70 3.97 5.04 -0.54 -1.66 117.35 124.24 2i03 s TYR 135 Ca 0.23 -0.99 -0.25 0.00 -2.44 0.00 0.00 57.07 53.62 2i03 s TYR 135 Cb -0.12 -1.45 0.05 0.00 0.35 0.00 0.00 41.96 40.79 2i03 s TYR 135 CO 0.14 -0.53 1.12 0.34 -1.34 0.00 0.00 175.55 175.28 2i03 s ASP 136 N 1.19 6.17 0.56 4.32 -1.08 0.12 -1.60 116.67 126.35 2i03 s ASP 136 Ca -0.02 -0.72 0.34 0.00 -0.52 0.00 0.00 52.55 51.62 2i03 s ASP 136 Cb -0.14 -2.49 1.63 0.00 -1.46 0.00 0.00 42.92 40.46 2i03 s ASP 136 CO -0.05 -1.64 2.10 -0.07 0.52 0.00 0.00 175.17 176.03 2i03 h LEU 137 N 12.19 0.00 0.79 -1.34 3.38 -1.32 0.64 115.31 129.64 2i03 h LEU 137 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2i03 h LEU 137 Cb 1.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.82 2i03 h LEU 137 CO 1.23 0.06 -0.38 0.78 0.09 0.00 0.00 178.44 180.22 2i03 h ASN 138 N 0.00 -0.89 -0.36 -0.43 2.35 -1.90 -3.22 115.58 111.13 2i03 h ASN 138 Ca -0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2i03 h ASN 138 Cb 0.34 0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2i03 h ASN 138 CO 0.01 -0.55 0.00 2.29 -1.65 0.00 0.00 177.43 177.53 2i03 n LYS 139 N -5.49 2.30 -3.89 0.81 2.85 -1.18 -4.95 118.16 108.61 2i03 n LYS 139 Ca -0.14 -1.97 -0.26 0.00 -1.05 0.00 0.00 58.31 54.90 2i03 n LYS 139 Cb 0.42 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 2i03 n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2i03 n ARG 140 N 1.17 -4.17 -4.36 -1.58 1.74 0.21 -4.97 116.66 104.70 2i03 n ARG 140 Ca 0.19 0.50 -0.27 0.00 -0.77 0.00 0.00 57.85 57.50 2i03 n ARG 140 Cb 0.52 -4.95 -0.13 0.00 -1.02 0.00 0.00 32.46 26.89 2i03 n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2i03 s GLN 141 N -6.41 1.34 -0.25 5.56 2.00 -0.63 -4.96 119.66 116.31 2i03 s GLN 141 Ca 0.18 -1.33 -0.15 0.00 -2.00 0.00 0.00 55.36 52.06 2i03 s GLN 141 Cb -0.09 -1.73 -0.04 0.00 0.80 0.00 0.00 33.01 31.95 2i03 s GLN 141 CO 0.86 0.40 0.39 -0.51 -0.50 0.00 0.00 175.29 175.93 2i03 s LEU 142 N -2.13 4.07 0.06 3.68 1.43 -1.26 0.14 118.68 124.67 2i03 s LEU 142 Ca 0.13 0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 2i03 s LEU 142 Cb -0.09 -2.48 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 2i03 s LEU 142 CO 0.06 -0.16 1.44 -0.63 0.23 0.00 0.00 176.35 177.29 2i03 s ILE 143 N 1.86 3.43 -0.16 -0.59 1.01 -0.66 -4.90 121.20 121.19 2i03 s ILE 143 Ca 0.17 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.77 2i03 s ILE 143 Cb -0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2i03 s ILE 143 CO 0.09 0.03 0.16 0.35 0.00 0.00 0.00 174.94 175.56 2i03 n THR 144 N 4.41 0.00 -3.81 2.92 -2.24 -1.26 -4.57 114.28 109.73 2i03 n THR 144 Ca 0.13 -0.43 -0.36 0.00 -2.27 0.00 0.00 64.05 61.12 2i03 n THR 144 Cb 0.43 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 2i03 n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2i03 s GLU 145 N -1.24 3.53 -1.54 -0.78 1.03 -1.26 -4.52 118.70 113.91 2i03 s GLU 145 Ca 0.01 -0.09 -0.09 0.00 0.03 0.00 0.00 54.97 54.84 2i03 s GLU 145 Cb 0.02 -3.15 0.07 0.00 -0.80 0.00 0.00 34.13 30.28 2i03 s GLU 145 CO 0.12 0.72 0.60 0.39 -1.33 0.00 0.00 175.26 175.76 2i03 n GLU 146 N 1.55 -3.35 -1.60 -4.83 -0.58 -1.26 -4.68 120.64 105.89 2i03 n GLU 146 Ca -0.15 0.40 -0.31 0.00 -0.42 0.00 0.00 57.16 56.68 2i03 n GLU 146 Cb 0.54 -4.81 0.06 0.00 -0.57 0.00 0.00 31.44 26.65 2i03 n GLU 146 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2i03 s ARG 147 N -6.74 2.77 0.22 3.49 1.70 -1.26 -4.80 118.95 114.33 2i03 s ARG 147 Ca 0.36 0.84 -0.32 0.00 -0.47 0.00 0.00 55.73 56.14 2i03 s ARG 147 Cb -0.19 -1.98 -0.12 0.00 -0.57 0.00 0.00 34.95 32.09 2i03 s ARG 147 CO 0.90 -1.19 1.70 0.42 -1.08 0.00 0.00 175.30 176.06 2i03 s ILE 148 N -3.09 2.05 0.85 4.99 1.01 -1.26 -4.96 121.20 120.78 2i03 s ILE 148 Ca 0.58 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 61.15 2i03 s ILE 148 Cb -0.14 -3.02 0.11 0.00 0.01 0.00 0.00 42.46 39.42 2i03 s ILE 148 CO 0.55 0.00 1.17 -2.16 0.00 0.00 0.00 174.94 174.50 2i03 s PRO 149 N 0.94 1.41 0.61 2.79 0.04 -1.26 -4.53 135.00 134.99 2i03 s PRO 149 Ca 0.73 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 63.24 2i03 s PRO 149 Cb -0.49 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2i03 s PRO 149 CO 0.34 -2.36 1.04 -0.80 0.04 0.00 0.00 177.00 175.27 2i03 s ASN 150 N -2.48 5.86 -0.80 6.66 0.01 -1.26 -3.69 114.94 119.24 2i03 s ASN 150 Ca 0.69 1.70 0.00 0.00 -0.71 0.00 0.00 52.86 54.55 2i03 s ASN 150 Cb -0.25 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.89 2i03 s ASN 150 CO 0.54 -1.11 0.00 0.59 -1.51 0.00 0.00 177.10 175.61 2i03 n ASN 151 N -2.25 -3.25 -4.74 -1.22 3.02 -1.12 -4.98 115.26 100.71 2i03 n ASN 151 Ca 0.08 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 2i03 n ASN 151 Cb 0.53 -2.45 -0.04 0.00 -0.61 0.00 0.00 39.78 37.22 2i03 n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2i03 s THR 152 N -2.45 3.64 -0.26 3.41 2.01 -0.81 -4.58 115.64 116.59 2i03 s THR 152 Ca 0.00 1.41 0.20 0.00 0.31 0.00 0.00 61.69 63.61 2i03 s THR 152 Cb 0.00 -3.90 0.09 0.00 0.01 0.00 0.00 72.50 68.70 2i03 s THR 152 CO 0.00 0.24 1.26 1.56 -0.69 0.00 0.00 174.62 176.99 2i03 h GLN 153 N 5.07 0.00 -1.27 4.92 4.20 -0.89 -2.30 115.11 124.83 2i03 h GLN 153 Ca -0.45 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.43 2i03 h GLN 153 Cb 1.21 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.73 2i03 h GLN 153 CO 0.73 0.15 0.77 -0.46 -0.67 0.00 0.00 178.83 179.35 2i03 s TRP 154 N -3.16 -0.19 -0.08 2.96 -0.11 -1.20 -4.60 118.94 112.57 2i03 s TRP 154 Ca 0.02 0.35 -0.07 0.00 1.22 0.00 0.00 56.10 57.62 2i03 s TRP 154 Cb 0.08 0.47 0.02 0.00 -1.50 0.00 0.00 33.47 32.53 2i03 s TRP 154 CO 0.75 -0.15 0.21 0.08 -4.62 0.00 0.00 176.95 173.22 2i03 s VAL 155 N -0.80 0.00 -0.14 5.86 1.01 -1.26 -0.45 120.40 124.62 2i03 s VAL 155 Ca 0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 2i03 s VAL 155 Cb -0.02 -0.31 0.04 0.00 0.00 0.00 0.00 36.38 36.10 2i03 s VAL 155 CO -0.06 -0.00 0.37 0.28 0.00 0.00 0.00 175.10 175.69 2i03 s THR 156 N 0.11 -0.01 0.73 3.92 -1.32 -0.39 -5.01 115.64 113.67 2i03 s THR 156 Ca -0.00 0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.40 2i03 s THR 156 Cb -0.02 -0.53 0.03 0.00 -1.51 0.00 0.00 72.50 70.47 2i03 s THR 156 CO 0.00 0.01 1.07 0.26 -2.21 0.00 0.00 174.62 173.76 2i03 s TRP 157 N 0.53 2.98 0.94 9.09 0.52 -1.26 -1.93 118.94 129.81 2i03 s TRP 157 Ca -0.03 1.37 -0.12 0.00 0.02 0.00 0.00 56.10 57.34 2i03 s TRP 157 Cb -0.04 -2.96 0.16 0.00 -1.15 0.00 0.00 33.47 29.47 2i03 s TRP 157 CO -0.03 -1.44 1.11 -1.54 0.02 0.00 0.00 176.95 175.08 2i03 s SER 158 N -3.78 3.16 0.51 2.95 1.04 -0.23 -4.89 113.70 112.47 2i03 s SER 158 Ca 0.59 1.12 0.30 0.00 0.48 0.00 0.00 55.95 58.44 2i03 s SER 158 Cb -0.14 -1.76 1.11 0.00 0.10 0.00 0.00 66.02 65.33 2i03 s SER 158 CO 0.55 -2.78 1.89 -0.65 0.98 0.00 0.00 173.24 173.23 2i03 h PRO 159 N -1.66 0.00 0.00 4.02 0.11 -1.81 -3.42 132.00 129.24 2i03 h PRO 159 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2i03 h PRO 159 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2i03 h PRO 159 CO 0.59 0.04 -0.64 1.33 -0.21 0.00 0.00 178.00 179.11 2i03 n VAL 160 N -3.14 0.27 0.00 3.15 0.24 -1.26 -4.79 118.33 112.80 2i03 n VAL 160 Ca 0.01 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2i03 n VAL 160 Cb 0.37 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 2i03 n VAL 160 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i03 n GLY 161 N 2.90 1.00 1.53 7.63 0.00 -1.26 -3.88 105.19 113.11 2i03 n GLY 161 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2i03 n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2i03 n HIS 162 N 0.00 0.03 -2.13 1.61 1.44 -1.26 -3.14 115.22 111.77 2i03 n HIS 162 Ca 0.00 -0.68 -0.32 0.00 -2.01 0.00 0.00 57.72 54.70 2i03 n HIS 162 Cb 0.00 0.07 -0.00 0.00 0.12 0.00 0.00 29.99 30.18 2i03 n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2i03 s LYS 163 N -0.32 3.50 0.00 -1.40 1.02 -1.26 -4.46 119.74 116.83 2i03 s LYS 163 Ca 0.24 1.11 0.03 0.00 0.02 0.00 0.00 55.97 57.37 2i03 s LYS 163 Cb 0.29 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 2i03 s LYS 163 CO -0.11 -0.65 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.05 2i03 s LEU 164 N -4.42 2.06 -0.05 3.17 1.43 -0.05 -1.07 118.68 119.75 2i03 s LEU 164 Ca 0.62 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2i03 s LEU 164 Cb -0.14 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.58 2i03 s LEU 164 CO 0.36 0.09 -0.12 0.00 0.23 0.00 0.00 176.35 176.91 2i03 s ALA 165 N -0.42 1.17 0.07 4.21 0.00 -0.81 0.52 121.76 126.49 2i03 s ALA 165 Ca 0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 2i03 s ALA 165 Cb -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 2i03 s ALA 165 CO -0.00 0.13 0.09 1.52 0.00 0.00 0.00 175.76 177.50 2i03 s TYR 166 N 0.50 0.31 -0.07 0.00 -0.85 -0.12 -1.26 117.35 115.87 2i03 s TYR 166 Ca -0.11 -0.79 0.05 0.00 -0.52 0.00 0.00 57.07 55.70 2i03 s TYR 166 Cb -0.14 -0.21 -0.01 0.00 0.38 0.00 0.00 41.96 41.98 2i03 s TYR 166 CO 0.03 -0.46 -0.22 0.08 -1.52 0.00 0.00 175.55 173.46 2i03 s VAL 167 N -3.79 2.36 -0.10 -3.49 1.01 0.41 -0.65 120.40 116.13 2i03 s VAL 167 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 2i03 s VAL 167 Cb 0.06 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.60 2i03 s VAL 167 CO -0.10 0.57 0.23 0.86 0.00 0.00 0.00 175.10 176.65 2i03 s TRP 168 N -0.18 -0.31 -1.46 5.22 -0.00 -0.46 -0.27 118.94 121.47 2i03 s TRP 168 Ca -0.02 0.76 -0.08 0.00 -0.00 0.00 0.00 56.10 56.76 2i03 s TRP 168 Cb -0.14 -0.01 0.03 0.00 -0.00 0.00 0.00 33.47 33.36 2i03 s TRP 168 CO 0.03 -0.25 0.73 0.09 -0.00 0.00 0.00 176.95 177.56 2i03 n ASN 169 N 4.48 -5.41 -0.38 5.86 5.03 -1.26 -1.86 115.26 121.72 2i03 n ASN 169 Ca -0.21 -0.43 -0.05 0.00 0.87 0.00 0.00 54.58 54.76 2i03 n ASN 169 Cb 0.52 -4.36 -0.02 0.00 -1.02 0.00 0.00 39.78 34.90 2i03 n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2i03 n ASN 170 N -2.59 -4.74 -4.46 6.41 5.03 -1.26 -4.52 115.26 109.13 2i03 n ASN 170 Ca -0.05 0.12 -0.27 0.00 0.87 0.00 0.00 54.58 55.25 2i03 n ASN 170 Cb 0.58 -2.68 -0.11 0.00 -1.02 0.00 0.00 39.78 36.55 2i03 n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2i03 s ASP 171 N -2.33 3.64 -0.06 6.41 1.01 -0.78 -2.12 116.67 122.43 2i03 s ASP 171 Ca 0.00 -0.76 -0.12 0.00 0.71 0.00 0.00 52.55 52.38 2i03 s ASP 171 Cb 0.00 -0.38 -0.05 0.00 1.01 0.00 0.00 42.92 43.50 2i03 s ASP 171 CO 0.00 0.13 0.30 -0.63 0.21 0.00 0.00 175.17 175.18 2i03 s ILE 172 N -1.56 5.24 0.07 0.77 1.01 -1.26 -1.36 121.20 124.10 2i03 s ILE 172 Ca 0.21 0.57 0.05 0.00 0.00 0.00 0.00 60.65 61.48 2i03 s ILE 172 Cb -0.09 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 2i03 s ILE 172 CO 0.11 0.57 -0.14 -0.31 0.00 0.00 0.00 174.94 175.17 2i03 s TYR 173 N -0.86 1.20 -0.02 3.97 1.51 0.17 -0.09 117.35 123.23 2i03 s TYR 173 Ca 0.20 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 2i03 s TYR 173 Cb -0.15 -0.68 -0.00 0.00 -0.11 0.00 0.00 41.96 41.02 2i03 s TYR 173 CO 0.09 0.05 -0.11 0.08 -1.11 0.00 0.00 175.55 174.54 2i03 s VAL 174 N -1.22 0.94 -0.22 0.71 1.01 -0.12 -0.94 120.40 120.56 2i03 s VAL 174 Ca -0.02 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2i03 s VAL 174 Cb -0.10 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.53 2i03 s VAL 174 CO 0.02 0.28 -0.11 -0.54 0.00 0.00 0.00 175.10 174.74 2i03 s LYS 175 N -0.07 2.20 0.32 2.72 1.02 0.18 -0.15 119.74 125.97 2i03 s LYS 175 Ca 0.01 -1.04 0.14 0.00 0.02 0.00 0.00 55.97 55.10 2i03 s LYS 175 Cb -0.07 -2.63 0.52 0.00 -0.52 0.00 0.00 37.83 35.13 2i03 s LYS 175 CO 0.00 -0.47 1.68 0.82 -0.92 0.00 0.00 175.35 176.47 2i03 h ILE 176 N 6.50 1.20 -3.87 2.17 5.03 -1.86 -0.10 117.51 126.57 2i03 h ILE 176 Ca -0.26 -1.80 -0.33 0.00 -0.12 0.00 0.00 64.86 62.36 2i03 h ILE 176 Cb 1.08 2.01 -0.29 0.00 -3.03 0.00 0.00 36.82 36.59 2i03 h ILE 176 CO 0.49 0.49 -0.75 -1.61 -0.68 0.00 0.00 178.15 176.08 2i03 s GLU 177 N -3.66 0.42 0.37 2.37 0.41 -1.26 -4.39 118.70 112.95 2i03 s GLU 177 Ca -0.01 -0.17 0.14 0.00 -0.41 0.00 0.00 54.97 54.52 2i03 s GLU 177 Cb 0.12 -0.42 0.97 0.00 -1.78 0.00 0.00 34.13 33.03 2i03 s GLU 177 CO 0.73 0.09 1.79 -1.35 -0.49 0.00 0.00 175.26 176.04 2i03 h PRO 178 N 6.11 0.51 -0.00 0.39 0.11 -1.84 -2.18 132.00 135.09 2i03 h PRO 178 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2i03 h PRO 178 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2i03 h PRO 178 CO 0.50 0.34 -0.64 0.27 -0.21 0.00 0.00 178.00 178.26 2i03 n ASN 179 N -4.65 0.96 -4.88 -2.05 6.94 -1.26 -4.82 115.26 105.50 2i03 n ASN 179 Ca 0.23 -0.79 -0.29 0.00 -0.02 0.00 0.00 54.58 53.71 2i03 n ASN 179 Cb 0.73 0.53 -0.01 0.00 -2.36 0.00 0.00 39.78 38.67 2i03 n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2i03 s LEU 180 N -2.86 3.57 0.48 -4.53 1.02 -0.82 -4.43 118.68 111.10 2i03 s LEU 180 Ca 0.13 1.15 -0.23 0.00 0.02 0.00 0.00 54.13 55.20 2i03 s LEU 180 Cb 0.17 -4.12 -0.08 0.00 0.02 0.00 0.00 46.19 42.19 2i03 s LEU 180 CO 0.72 -0.62 1.20 -2.65 0.02 0.00 0.00 176.35 175.02 2i03 n PRO 181 N -2.13 1.63 -2.94 1.29 -0.02 -1.26 -4.85 135.00 126.72 2i03 n PRO 181 Ca 0.03 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 2i03 n PRO 181 Cb 0.54 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 2i03 n PRO 181 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2i03 s SER 182 N -0.76 7.08 -0.26 2.55 0.15 -1.26 -4.78 113.70 116.42 2i03 s SER 182 Ca 0.66 1.60 -0.13 0.00 0.70 0.00 0.00 55.95 58.78 2i03 s SER 182 Cb -0.48 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.29 2i03 s SER 182 CO 0.54 -0.12 0.27 -0.31 1.20 0.00 0.00 173.24 174.82 2i03 s TYR 183 N -1.77 3.26 0.21 3.44 2.02 0.79 -4.91 117.35 120.39 2i03 s TYR 183 Ca 0.51 0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 57.20 2i03 s TYR 183 Cb -0.15 -2.45 -0.08 0.00 -0.40 0.00 0.00 41.96 38.88 2i03 s TYR 183 CO 0.20 -0.14 1.06 0.50 -1.57 0.00 0.00 175.55 175.60 2i03 s ARG 184 N 1.73 4.66 -0.10 -0.62 3.52 -1.26 -0.95 118.95 125.92 2i03 s ARG 184 Ca 0.11 1.68 0.09 0.00 -0.13 0.00 0.00 55.73 57.49 2i03 s ARG 184 Cb -0.15 -3.26 -0.13 0.00 -1.56 0.00 0.00 34.95 29.85 2i03 s ARG 184 CO 0.09 0.19 0.03 -0.89 -0.81 0.00 0.00 175.30 173.92 2i03 n ILE 185 N 1.95 0.72 -4.15 4.11 2.08 0.87 -4.50 119.36 120.46 2i03 n ILE 185 Ca 0.01 -0.44 -0.16 0.00 0.56 0.00 0.00 62.75 62.72 2i03 n ILE 185 Cb 0.46 -0.73 -0.11 0.00 -0.75 0.00 0.00 39.64 38.51 2i03 n ILE 185 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2i03 s THR 186 N -2.26 0.91 0.00 1.39 -1.32 -1.21 -4.87 115.64 108.29 2i03 s THR 186 Ca -0.06 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 2i03 s THR 186 Cb 0.03 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2i03 s THR 186 CO 0.43 -0.39 0.41 0.79 -2.21 0.00 0.00 174.62 173.65 2i03 n TRP 187 N 1.05 0.00 1.17 9.09 7.02 -1.26 -4.47 117.44 130.05 2i03 n TRP 187 Ca -0.20 -0.08 0.13 0.00 -1.02 0.00 0.00 57.50 56.33 2i03 n TRP 187 Cb 0.56 -0.01 0.31 0.00 -2.42 0.00 0.00 31.31 29.75 2i03 n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2i03 n THR 188 N -0.08 0.00 -1.64 -0.99 -2.24 -1.26 -4.97 114.28 103.10 2i03 n THR 188 Ca 0.00 -0.11 -0.51 0.00 -2.27 0.00 0.00 64.05 61.16 2i03 n THR 188 Cb 0.21 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 2i03 n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i03 n GLY 189 N 1.38 0.77 3.01 3.38 0.00 -1.26 -4.70 105.19 107.78 2i03 n GLY 189 Ca 0.10 0.75 -0.13 0.00 0.00 0.00 0.00 46.02 46.74 2i03 n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i03 s LYS 190 N 1.46 0.16 -0.02 1.61 2.20 -1.03 -4.93 119.74 119.19 2i03 s LYS 190 Ca 0.87 0.64 -0.38 0.00 -0.36 0.00 0.00 55.97 56.74 2i03 s LYS 190 Cb -0.89 -0.09 -0.17 0.00 -1.51 0.00 0.00 37.83 35.17 2i03 s LYS 190 CO 0.49 -0.24 1.41 -1.91 -0.36 0.00 0.00 175.35 174.74 2i03 n GLU 191 N 4.90 0.99 -1.10 4.03 2.13 -1.26 -0.73 120.64 129.59 2i03 n GLU 191 Ca -0.14 0.36 -0.04 0.00 0.66 0.00 0.00 57.16 58.00 2i03 n GLU 191 Cb 0.51 -1.99 -0.02 0.00 0.27 0.00 0.00 31.44 30.21 2i03 n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2i03 n ASP 192 N 3.07 -5.81 0.08 4.31 8.00 -1.26 -4.71 116.55 120.23 2i03 n ASP 192 Ca 0.21 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2i03 n ASP 192 Cb 0.16 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.63 2i03 n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2i03 n ILE 193 N -2.10 0.61 -4.51 0.53 2.08 -0.02 -4.70 119.36 111.25 2i03 n ILE 193 Ca -0.04 0.20 -0.33 0.00 0.56 0.00 0.00 62.75 63.14 2i03 n ILE 193 Cb 0.51 -1.05 -0.14 0.00 -0.75 0.00 0.00 39.64 38.21 2i03 n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2i03 s ILE 194 N -1.83 3.04 -0.19 1.39 -1.09 0.09 0.29 121.20 122.89 2i03 s ILE 194 Ca 0.00 -0.65 -0.00 0.00 -2.23 0.00 0.00 60.65 57.77 2i03 s ILE 194 Cb 0.00 -2.30 0.01 0.00 -1.58 0.00 0.00 42.46 38.59 2i03 s ILE 194 CO 0.00 0.50 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.74 2i03 s TYR 195 N 0.71 2.83 -0.23 3.97 1.51 0.64 -2.47 117.35 124.30 2i03 s TYR 195 Ca -0.05 -1.47 -0.04 0.00 -1.01 0.00 0.00 57.07 54.50 2i03 s TYR 195 Cb -0.15 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 2i03 s TYR 195 CO 0.02 -0.74 -0.04 -0.80 -1.11 0.00 0.00 175.55 172.88 2i03 s ASN 196 N 1.34 4.35 0.00 2.29 0.01 -0.90 -0.45 114.94 121.57 2i03 s ASN 196 Ca 0.05 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 2i03 s ASN 196 Cb -0.13 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 39.80 2i03 s ASN 196 CO -0.10 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.03 2i03 n GLY 197 N 4.77 2.52 3.25 0.66 0.00 -0.86 -4.33 105.19 111.20 2i03 n GLY 197 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2i03 n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2i03 s ILE 198 N -2.29 1.37 0.59 -0.61 -4.36 -1.26 0.68 121.20 115.33 2i03 s ILE 198 Ca 0.00 -1.75 -0.09 0.00 -0.26 0.00 0.00 60.65 58.55 2i03 s ILE 198 Cb 0.00 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 2i03 s ILE 198 CO 0.00 -0.42 0.95 0.42 0.24 0.00 0.00 174.94 176.13 2i03 s THR 199 N -2.18 4.35 0.46 8.37 -4.23 0.28 -4.74 115.64 117.96 2i03 s THR 199 Ca 0.10 0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 61.05 2i03 s THR 199 Cb -0.05 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.17 2i03 s THR 199 CO 0.03 -0.85 0.63 -0.90 -0.54 0.00 0.00 174.62 173.00 2i03 n ASP 200 N -2.63 0.72 0.09 3.99 5.75 -1.26 -4.81 116.55 118.39 2i03 n ASP 200 Ca 0.04 -1.64 -0.13 0.00 -0.01 0.00 0.00 54.79 53.06 2i03 n ASP 200 Cb 0.56 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 2i03 n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2i03 h TRP 201 N -0.65 -0.95 -0.14 2.11 7.01 -1.99 -1.88 115.95 119.46 2i03 h TRP 201 Ca -0.21 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.71 2i03 h TRP 201 Cb 0.74 0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 28.19 2i03 h TRP 201 CO 0.00 -0.44 -0.40 -0.24 -2.79 0.00 0.00 178.44 174.57 2i03 h VAL 202 N -0.53 1.31 -0.02 2.65 3.04 -1.95 -2.43 116.25 118.32 2i03 h VAL 202 Ca 0.04 -1.53 -0.12 0.00 -1.01 0.00 0.00 66.70 64.08 2i03 h VAL 202 Cb 0.59 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 2i03 h VAL 202 CO -0.24 0.46 -0.57 1.88 -1.01 0.00 0.00 177.57 178.09 2i03 h TYR 203 N 0.27 0.07 -0.13 3.17 -1.99 -1.92 0.14 116.97 116.59 2i03 h TYR 203 Ca 0.02 -0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 2i03 h TYR 203 Cb 0.83 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.55 2i03 h TYR 203 CO 0.02 0.62 -0.27 1.49 -0.00 0.00 0.00 178.16 180.01 2i03 h GLU 204 N 0.04 0.41 0.01 4.88 4.81 -1.12 0.12 114.58 123.74 2i03 h GLU 204 Ca -0.00 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2i03 h GLU 204 Cb 1.02 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2i03 h GLU 204 CO 0.08 0.87 -0.00 1.49 -0.73 0.00 0.00 179.01 180.72 2i03 h GLU 205 N 0.01 -0.01 0.00 1.92 4.57 -1.42 -0.04 114.58 119.61 2i03 h GLU 205 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2i03 h GLU 205 Cb 0.87 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2i03 h GLU 205 CO 0.06 0.82 -1.58 0.39 -1.18 0.00 0.00 179.01 177.52 2i03 n GLU 206 N -4.68 0.64 -0.02 1.92 -0.58 0.50 -4.41 120.64 114.01 2i03 n GLU 206 Ca -0.09 0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.62 2i03 n GLU 206 Cb 0.40 -1.68 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 2i03 n GLU 206 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2i03 n VAL 207 N -2.57 0.20 0.18 2.62 3.14 -1.08 -4.84 118.33 115.99 2i03 n VAL 207 Ca -0.06 -0.05 0.11 0.00 -2.96 0.00 0.00 64.34 61.37 2i03 n VAL 207 Cb 0.67 -1.46 -0.07 0.00 -1.06 0.00 0.00 33.84 31.92 2i03 n VAL 207 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2i03 n PHE 208 N -3.11 0.40 -3.91 1.45 3.72 0.40 -4.96 117.46 111.45 2i03 n PHE 208 Ca -0.07 0.12 -0.30 0.00 -0.05 0.00 0.00 57.45 57.14 2i03 n PHE 208 Cb 0.55 -0.63 0.03 0.00 -0.94 0.00 0.00 39.48 38.49 2i03 n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2i03 n SER 209 N -2.32 -4.85 -3.46 4.37 7.64 -0.06 -4.94 113.62 110.00 2i03 n SER 209 Ca -0.01 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 58.99 2i03 n SER 209 Cb 0.53 -3.91 -0.02 0.00 -1.01 0.00 0.00 64.21 59.80 2i03 n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i03 s ALA 210 N -3.30 -1.71 -0.04 -0.43 0.00 -0.98 -4.97 121.76 110.33 2i03 s ALA 210 Ca 0.66 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 53.32 2i03 s ALA 210 Cb -0.33 0.59 -0.30 0.00 0.00 0.00 0.00 23.12 23.09 2i03 s ALA 210 CO 0.83 -0.70 0.70 -0.92 0.00 0.00 0.00 175.76 175.67 2i03 h TYR 211 N 2.08 0.63 -3.41 0.00 3.20 -1.87 -3.38 116.97 114.23 2i03 h TYR 211 Ca -0.28 -0.46 -0.54 0.00 3.14 0.00 0.00 58.73 60.58 2i03 h TYR 211 Cb 1.27 -0.03 0.09 0.00 1.54 0.00 0.00 36.73 39.60 2i03 h TYR 211 CO 0.25 1.60 0.82 0.45 -1.64 0.00 0.00 178.16 179.64 2i03 n SER 212 N -3.54 3.74 -2.71 -2.11 2.88 -1.26 0.10 113.62 110.71 2i03 n SER 212 Ca -0.23 1.17 -0.06 0.00 -1.33 0.00 0.00 58.87 58.42 2i03 n SER 212 Cb 1.07 -1.59 0.04 0.00 -0.75 0.00 0.00 64.21 62.98 2i03 n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i03 n ALA 213 N 1.62 3.17 -2.92 -1.46 0.00 0.22 -4.59 120.51 116.55 2i03 n ALA 213 Ca 0.07 -3.02 -0.12 0.00 0.00 0.00 0.00 53.44 50.37 2i03 n ALA 213 Cb 0.37 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 2i03 n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2i03 s LEU 214 N -3.36 1.89 -0.15 0.00 0.05 -1.23 -1.96 118.68 113.92 2i03 s LEU 214 Ca 0.27 0.01 -0.02 0.00 0.05 0.00 0.00 54.13 54.45 2i03 s LEU 214 Cb 0.41 0.13 0.05 0.00 -2.05 0.00 0.00 46.19 44.73 2i03 s LEU 214 CO 0.01 -0.05 0.02 0.26 -0.55 0.00 0.00 176.35 176.04 2i03 s TRP 215 N -0.14 0.95 0.40 3.48 0.51 0.22 -4.97 118.94 119.38 2i03 s TRP 215 Ca -0.02 -0.62 -0.24 0.00 -2.12 0.00 0.00 56.10 53.10 2i03 s TRP 215 Cb -0.01 -0.97 -0.09 0.00 -0.81 0.00 0.00 33.47 31.59 2i03 s TRP 215 CO -0.00 -0.51 1.08 -1.58 -0.51 0.00 0.00 176.95 175.43 2i03 s TRP 216 N 1.88 3.21 0.78 -1.98 0.52 -1.26 -0.83 118.94 121.26 2i03 s TRP 216 Ca 0.01 1.62 -0.11 0.00 0.02 0.00 0.00 56.10 57.65 2i03 s TRP 216 Cb -0.15 -3.20 0.06 0.00 -1.15 0.00 0.00 33.47 29.03 2i03 s TRP 216 CO -0.07 -0.81 1.08 -1.54 0.02 0.00 0.00 176.95 175.63 2i03 s SER 217 N -1.46 4.56 0.19 2.95 1.04 0.36 -4.91 113.70 116.44 2i03 s SER 217 Ca 0.58 1.50 -0.24 0.00 0.48 0.00 0.00 55.95 58.27 2i03 s SER 217 Cb -0.24 -2.26 0.08 0.00 0.10 0.00 0.00 66.02 63.69 2i03 s SER 217 CO 0.30 -1.95 1.55 -0.65 0.98 0.00 0.00 173.24 173.47 2i03 h PRO 218 N -1.07 -0.05 -0.46 4.02 0.11 -1.90 -1.26 132.00 131.39 2i03 h PRO 218 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2i03 h PRO 218 Cb 1.25 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2i03 h PRO 218 CO 0.56 -0.03 0.00 0.27 -0.21 0.00 0.00 178.00 178.59 2i03 n ASN 219 N -5.37 2.77 0.00 -2.05 0.23 -1.26 -4.43 115.26 105.14 2i03 n ASN 219 Ca 0.05 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 2i03 n ASN 219 Cb 0.34 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2i03 n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2i03 n GLY 220 N 1.34 0.78 0.09 4.83 0.00 -0.48 -4.65 105.19 107.10 2i03 n GLY 220 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2i03 n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2i03 h THR 221 N 0.00 0.99 -3.10 2.61 2.02 -1.92 -3.45 112.91 110.06 2i03 h THR 221 Ca 0.00 -0.34 -0.63 0.00 0.77 0.00 0.00 66.41 66.21 2i03 h THR 221 Cb 0.00 1.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.54 2i03 h THR 221 CO 0.00 0.08 -0.58 -0.36 0.37 0.00 0.00 175.52 175.03 2i03 s PHE 222 N -5.54 3.23 -0.20 3.16 0.08 -1.26 -1.80 117.98 115.65 2i03 s PHE 222 Ca -0.14 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.01 2i03 s PHE 222 Cb 0.04 -1.63 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 2i03 s PHE 222 CO 0.65 0.53 -0.09 -1.17 -0.10 0.00 0.00 175.22 175.04 2i03 s LEU 223 N -2.47 2.28 -0.01 -0.37 2.96 -0.43 -0.49 118.68 120.15 2i03 s LEU 223 Ca 0.30 -0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 2i03 s LEU 223 Cb -0.12 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 2i03 s LEU 223 CO 0.23 -0.17 0.16 0.00 -1.32 0.00 0.00 176.35 175.25 2i03 s ALA 224 N 1.42 3.87 0.18 5.97 0.00 -0.01 -1.34 121.76 131.85 2i03 s ALA 224 Ca -0.02 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 2i03 s ALA 224 Cb -0.17 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 2i03 s ALA 224 CO -0.08 0.73 0.35 1.52 0.00 0.00 0.00 175.76 178.28 2i03 s TYR 225 N -1.28 0.32 0.11 0.00 1.13 0.36 0.68 117.35 118.67 2i03 s TYR 225 Ca 0.26 -0.67 0.08 0.00 -1.41 0.00 0.00 57.07 55.33 2i03 s TYR 225 Cb -0.12 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 2i03 s TYR 225 CO 0.17 -0.79 -0.16 0.00 -2.51 0.00 0.00 175.55 172.26 2i03 s ALA 226 N -3.96 2.75 -0.09 9.51 0.00 -0.83 -1.16 121.76 127.98 2i03 s ALA 226 Ca 0.17 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.84 2i03 s ALA 226 Cb 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2i03 s ALA 226 CO 0.01 0.61 -0.21 -1.14 0.00 0.00 0.00 175.76 175.02 2i03 s GLN 227 N -2.15 2.73 -0.10 0.00 0.74 0.53 -2.02 119.66 119.39 2i03 s GLN 227 Ca 0.19 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.83 2i03 s GLN 227 Cb -0.11 -2.10 -0.02 0.00 1.10 0.00 0.00 33.01 31.89 2i03 s GLN 227 CO 0.11 0.16 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.80 2i03 s PHE 228 N 0.38 2.75 -0.24 1.67 0.08 0.40 -1.23 117.98 121.80 2i03 s PHE 228 Ca -0.17 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.36 2i03 s PHE 228 Cb -0.17 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2i03 s PHE 228 CO 0.08 -0.09 -0.08 1.21 -0.10 0.00 0.00 175.22 176.23 2i03 s ASN 229 N -0.02 4.19 -0.12 1.36 3.84 -0.46 -0.26 114.94 123.47 2i03 s ASN 229 Ca -0.04 -0.86 0.15 0.00 0.21 0.00 0.00 52.86 52.32 2i03 s ASN 229 Cb -0.14 -1.64 0.54 0.00 -0.55 0.00 0.00 41.25 39.46 2i03 s ASN 229 CO 0.04 -0.11 1.46 0.47 -2.79 0.00 0.00 177.10 176.16 2i03 n ASP 230 N 4.65 4.00 -0.30 -4.21 9.92 0.14 -1.62 116.55 129.13 2i03 n ASP 230 Ca -0.17 -2.60 0.08 0.00 -0.53 0.00 0.00 54.79 51.58 2i03 n ASP 230 Cb 0.47 -0.48 0.17 0.00 -0.64 0.00 0.00 41.12 40.64 2i03 n ASP 230 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2i03 n THR 231 N 0.26 -0.35 -1.00 -3.53 -1.04 -1.25 -0.79 114.28 106.57 2i03 n THR 231 Ca 0.20 1.90 0.08 0.00 -2.04 0.00 0.00 64.05 64.19 2i03 n THR 231 Cb 0.79 -2.69 0.28 0.00 -1.82 0.00 0.00 70.33 66.89 2i03 n THR 231 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2i03 n GLU 232 N -5.31 3.20 -2.81 -2.82 1.02 -1.26 -4.97 120.64 107.69 2i03 n GLU 232 Ca 0.16 -2.91 -0.41 0.00 -0.02 0.00 0.00 57.16 53.98 2i03 n GLU 232 Cb 0.51 -1.92 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 2i03 n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i03 s VAL 233 N -2.84 4.89 0.74 2.62 1.01 0.03 -4.72 120.40 122.14 2i03 s VAL 233 Ca 0.44 1.84 -0.15 0.00 0.00 0.00 0.00 61.98 64.11 2i03 s VAL 233 Cb 0.36 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2i03 s VAL 233 CO 0.10 0.12 1.25 -2.84 0.00 0.00 0.00 175.10 173.73 2i03 s PRO 234 N 1.39 1.98 -0.07 2.72 0.02 -1.26 -4.68 135.00 135.10 2i03 s PRO 234 Ca 0.45 1.90 -0.03 0.00 0.02 0.00 0.00 61.00 63.34 2i03 s PRO 234 Cb -0.19 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 2i03 s PRO 234 CO 0.21 -1.99 0.08 -0.51 -0.33 0.00 0.00 177.00 174.45 2i03 s LEU 235 N -5.17 3.97 -0.09 -5.54 1.43 -1.26 -1.25 118.68 110.77 2i03 s LEU 235 Ca 0.77 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 54.00 2i03 s LEU 235 Cb -0.33 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2i03 s LEU 235 CO 0.46 0.36 0.34 -0.51 0.23 0.00 0.00 176.35 177.23 2i03 s ILE 236 N -1.03 5.21 -0.04 -0.59 1.10 -0.67 -4.89 121.20 120.29 2i03 s ILE 236 Ca 0.17 0.66 0.05 0.00 -0.51 0.00 0.00 60.65 61.02 2i03 s ILE 236 Cb -0.12 -3.65 -0.01 0.00 0.15 0.00 0.00 42.46 38.83 2i03 s ILE 236 CO 0.07 0.49 -0.20 -1.61 -2.11 0.00 0.00 174.94 171.58 2i03 s GLU 237 N -0.32 1.89 0.08 3.50 2.02 -1.26 -1.79 118.70 122.83 2i03 s GLU 237 Ca 0.20 -0.70 -0.20 0.00 0.02 0.00 0.00 54.97 54.29 2i03 s GLU 237 Cb -0.14 -1.68 0.05 0.00 0.10 0.00 0.00 34.13 32.45 2i03 s GLU 237 CO 0.08 0.33 0.48 1.52 0.02 0.00 0.00 175.26 177.68 2i03 s TYR 238 N -0.15 -0.35 0.22 1.61 1.13 -0.53 -4.96 117.35 114.33 2i03 s TYR 238 Ca -0.00 0.26 -0.25 0.00 -1.41 0.00 0.00 57.07 55.67 2i03 s TYR 238 Cb -0.11 0.32 -0.09 0.00 -1.10 0.00 0.00 41.96 40.98 2i03 s TYR 238 CO 0.02 -0.66 0.83 -1.12 -2.51 0.00 0.00 175.55 172.10 2i03 s SER 239 N -2.25 7.36 -0.16 -0.18 0.01 -1.26 0.22 113.70 117.43 2i03 s SER 239 Ca -0.03 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.93 2i03 s SER 239 Cb -0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2i03 s SER 239 CO -0.05 0.11 -0.14 0.12 0.41 0.00 0.00 173.24 173.69 2i03 s PHE 240 N -1.33 2.25 0.09 2.43 5.36 0.13 -4.75 117.98 122.16 2i03 s PHE 240 Ca 0.41 -1.31 -0.02 0.00 -0.96 0.00 0.00 56.93 55.05 2i03 s PHE 240 Cb -0.21 -1.63 -0.26 0.00 -0.34 0.00 0.00 43.02 40.58 2i03 s PHE 240 CO 0.26 -0.69 1.18 1.88 -1.46 0.00 0.00 175.22 176.38 2i03 h TYR 241 N 8.03 0.41 -0.28 10.12 -1.99 -1.96 -1.19 116.97 130.10 2i03 h TYR 241 Ca -0.37 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.07 2i03 h TYR 241 Cb 1.13 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.84 2i03 h TYR 241 CO 0.48 1.22 0.00 0.45 -0.00 0.00 0.00 178.16 180.31 2i03 n SER 242 N -3.51 -0.84 -4.78 3.88 2.88 -1.26 -4.74 113.62 105.25 2i03 n SER 242 Ca -0.07 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.15 2i03 n SER 242 Cb 1.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.52 2i03 n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2i03 s ASP 243 N -4.00 4.95 0.38 -3.46 1.01 -1.26 -4.91 116.67 109.37 2i03 s ASP 243 Ca 0.00 1.84 0.14 0.00 0.71 0.00 0.00 52.55 55.24 2i03 s ASP 243 Cb 0.00 -2.53 0.97 0.00 1.01 0.00 0.00 42.92 42.38 2i03 s ASP 243 CO 0.00 -1.74 1.83 -0.08 0.21 0.00 0.00 175.17 175.39 2i03 h GLU 244 N -0.56 0.51 0.00 8.23 4.81 -2.05 -1.41 114.58 124.12 2i03 h GLU 244 Ca -0.45 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2i03 h GLU 244 Cb 1.23 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 2i03 h GLU 244 CO 0.54 0.34 -0.06 0.66 -0.73 0.00 0.00 179.01 179.75 2i03 h SER 245 N 0.53 0.00 -2.49 1.04 4.64 -1.94 -3.42 113.55 111.91 2i03 h SER 245 Ca 0.51 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.26 2i03 h SER 245 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2i03 h SER 245 CO -0.24 0.06 1.25 -0.22 -0.87 0.00 0.00 176.83 176.81 2i03 s LEU 246 N -7.85 3.86 -0.02 5.97 0.20 -0.53 -4.90 118.68 115.41 2i03 s LEU 246 Ca -0.04 1.87 -0.26 0.00 0.69 0.00 0.00 54.13 56.39 2i03 s LEU 246 Cb 0.15 -3.53 -0.20 0.00 -0.43 0.00 0.00 46.19 42.18 2i03 s LEU 246 CO 0.59 -1.43 1.25 -0.61 -0.29 0.00 0.00 176.35 175.86 2i03 h GLN 247 N 11.96 -0.02 -5.08 1.98 4.15 -1.88 -3.43 115.11 122.77 2i03 h GLN 247 Ca -0.39 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.39 2i03 h GLN 247 Cb 1.19 0.01 -0.21 0.00 0.21 0.00 0.00 27.48 28.67 2i03 h GLN 247 CO 0.98 0.46 -0.63 0.71 -1.93 0.00 0.00 178.83 178.42 2i03 s TYR 248 N -4.23 3.09 0.75 3.99 1.51 -1.26 -5.09 117.35 116.11 2i03 s TYR 248 Ca -0.16 -0.34 -0.15 0.00 -1.01 0.00 0.00 57.07 55.41 2i03 s TYR 248 Cb 0.02 -2.14 0.02 0.00 -0.11 0.00 0.00 41.96 39.74 2i03 s TYR 248 CO 0.66 -0.21 0.94 -2.30 -1.11 0.00 0.00 175.55 173.53 2i03 n PRO 249 N 4.38 0.40 -4.06 -1.71 -0.02 -1.26 -5.00 135.00 127.73 2i03 n PRO 249 Ca -0.17 0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 2i03 n PRO 249 Cb 0.52 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 2i03 n PRO 249 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2i03 s LYS 250 N -3.44 2.91 -0.26 -0.52 -2.85 -0.45 -4.93 119.74 110.21 2i03 s LYS 250 Ca 0.72 -0.76 -0.09 0.00 -1.00 0.00 0.00 55.97 54.84 2i03 s LYS 250 Cb -0.33 -2.71 -0.04 0.00 -2.06 0.00 0.00 37.83 32.70 2i03 s LYS 250 CO 0.52 0.53 0.12 0.99 0.10 0.00 0.00 175.35 177.61 2i03 s THR 251 N -1.54 4.76 -0.06 3.79 2.01 -1.26 0.18 115.64 123.50 2i03 s THR 251 Ca 0.30 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 2i03 s THR 251 Cb -0.11 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 2i03 s THR 251 CO 0.23 0.31 0.42 -0.69 -0.69 0.00 0.00 174.62 174.20 2i03 s VAL 252 N 1.56 5.12 -0.07 3.82 1.01 0.13 -4.91 120.40 127.07 2i03 s VAL 252 Ca 0.06 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 2i03 s VAL 252 Cb -0.15 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2i03 s VAL 252 CO 0.06 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.63 2i03 s ARG 253 N -0.26 0.56 -0.04 2.72 3.03 -1.26 -1.45 118.95 122.25 2i03 s ARG 253 Ca 0.23 0.12 0.03 0.00 2.03 0.00 0.00 55.73 58.14 2i03 s ARG 253 Cb -0.16 -0.92 0.01 0.00 -1.03 0.00 0.00 34.95 32.85 2i03 s ARG 253 CO 0.11 -0.29 -0.11 0.54 -1.13 0.00 0.00 175.30 174.42 2i03 s VAL 254 N 1.92 1.00 -0.12 4.99 0.11 -0.74 -4.92 120.40 122.64 2i03 s VAL 254 Ca 0.04 -0.44 -0.31 0.00 -2.93 0.00 0.00 61.98 58.33 2i03 s VAL 254 Cb -0.12 -0.90 -0.09 0.00 -1.53 0.00 0.00 36.38 33.74 2i03 s VAL 254 CO -0.05 0.31 2.04 -2.65 -3.33 0.00 0.00 175.10 171.43 2i03 n PRO 255 N 3.51 2.19 -3.54 1.54 -0.02 -1.26 -1.67 135.00 135.74 2i03 n PRO 255 Ca -0.21 0.74 -0.18 0.00 -2.02 0.00 0.00 63.50 61.84 2i03 n PRO 255 Cb 0.53 -2.90 -0.13 0.00 -0.02 0.00 0.00 33.50 30.97 2i03 n PRO 255 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2i03 s TYR 256 N 5.78 -0.27 -0.28 6.00 6.14 -0.38 -4.52 117.35 129.83 2i03 s TYR 256 Ca 0.96 0.36 -0.23 0.00 0.64 0.00 0.00 57.07 58.80 2i03 s TYR 256 Cb -0.54 -0.32 -0.01 0.00 0.42 0.00 0.00 41.96 41.52 2i03 s TYR 256 CO 0.44 -0.52 0.76 -1.25 0.64 0.00 0.00 175.55 175.62 2i03 s PRO 257 N 2.33 4.05 0.65 4.97 0.04 -1.26 -4.52 135.00 141.25 2i03 s PRO 257 Ca 0.05 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 61.68 2i03 s PRO 257 Cb -0.15 -3.69 0.02 0.00 0.04 0.00 0.00 34.50 30.73 2i03 s PRO 257 CO -0.11 -0.57 0.97 0.15 0.04 0.00 0.00 177.00 177.49 2i03 s LYS 258 N 2.81 2.70 -0.13 4.56 1.02 -1.26 -1.37 119.74 128.07 2i03 s LYS 258 Ca 0.31 0.02 -0.40 0.00 0.02 0.00 0.00 55.97 55.92 2i03 s LYS 258 Cb -0.15 -2.19 -0.18 0.00 -0.52 0.00 0.00 37.83 34.79 2i03 s LYS 258 CO 0.10 -0.93 1.39 0.00 -0.92 0.00 0.00 175.35 175.00 2i03 n ALA 259 N -2.77 -1.68 -0.04 5.17 0.00 0.41 -0.68 120.51 120.91 2i03 n ALA 259 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2i03 n ALA 259 Cb 0.58 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2i03 n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i03 n GLY 260 N 2.85 2.48 3.88 0.00 0.00 -1.26 -4.85 105.19 108.28 2i03 n GLY 260 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2i03 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i03 s ALA 261 N -2.90 2.28 0.11 4.61 0.00 0.14 -4.98 121.76 121.02 2i03 s ALA 261 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 2i03 s ALA 261 Cb 0.00 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 2i03 s ALA 261 CO 0.00 -2.12 1.53 0.08 0.00 0.00 0.00 175.76 175.24 2i03 s VAL 262 N -3.62 3.03 0.50 0.00 1.01 -1.26 -4.89 120.40 115.18 2i03 s VAL 262 Ca 0.67 0.66 0.01 0.00 0.00 0.00 0.00 61.98 63.31 2i03 s VAL 262 Cb -0.09 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2i03 s VAL 262 CO 0.51 0.03 0.72 0.20 0.00 0.00 0.00 175.10 176.57 2i03 s ASN 263 N 1.55 5.57 0.51 3.32 0.01 -1.26 -4.53 114.94 120.11 2i03 s ASN 263 Ca 0.69 0.15 -0.17 0.00 -0.71 0.00 0.00 52.86 52.82 2i03 s ASN 263 Cb -0.40 -1.23 -0.08 0.00 0.41 0.00 0.00 41.25 39.96 2i03 s ASN 263 CO 0.31 -0.91 0.99 -2.16 -1.51 0.00 0.00 177.10 173.82 2i03 s PRO 264 N -4.66 3.89 0.20 -0.60 0.04 -1.26 -4.80 135.00 127.81 2i03 s PRO 264 Ca 0.53 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.66 2i03 s PRO 264 Cb -0.10 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2i03 s PRO 264 CO 0.38 -0.32 0.18 0.95 0.04 0.00 0.00 177.00 178.22 2i03 s THR 265 N -2.50 4.54 0.06 1.26 -4.23 -0.64 -4.91 115.64 109.22 2i03 s THR 265 Ca 0.60 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 2i03 s THR 265 Cb -0.11 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 2i03 s THR 265 CO 0.29 -0.22 -0.20 0.54 -0.54 0.00 0.00 174.62 174.49 2i03 s VAL 266 N -1.92 1.61 0.06 2.29 0.11 -1.26 -1.35 120.40 119.94 2i03 s VAL 266 Ca 0.32 -1.31 0.04 0.00 -2.93 0.00 0.00 61.98 58.10 2i03 s VAL 266 Cb -0.09 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 2i03 s VAL 266 CO 0.24 0.08 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.45 2i03 s LYS 267 N -1.45 0.68 -0.02 1.54 1.02 -0.36 -4.98 119.74 116.16 2i03 s LYS 267 Ca 0.06 -0.88 0.07 0.00 0.02 0.00 0.00 55.97 55.24 2i03 s LYS 267 Cb -0.09 -0.53 -0.02 0.00 -0.52 0.00 0.00 37.83 36.67 2i03 s LYS 267 CO 0.03 0.11 -0.22 0.12 -0.92 0.00 0.00 175.35 174.46 2i03 s PHE 268 N -1.45 1.96 0.04 3.18 5.36 -1.26 -0.35 117.98 125.46 2i03 s PHE 268 Ca -0.05 -0.38 -0.01 0.00 -0.96 0.00 0.00 56.93 55.53 2i03 s PHE 268 Cb -0.09 -1.26 -0.03 0.00 -0.34 0.00 0.00 43.02 41.30 2i03 s PHE 268 CO 0.01 -0.04 -0.02 -0.06 -1.46 0.00 0.00 175.22 173.65 2i03 s PHE 269 N -0.48 0.39 -0.03 10.12 0.40 -0.31 -1.32 117.98 126.74 2i03 s PHE 269 Ca 0.08 -0.80 0.01 0.00 -0.60 0.00 0.00 56.93 55.62 2i03 s PHE 269 Cb -0.09 -0.29 0.01 0.00 0.51 0.00 0.00 43.02 43.17 2i03 s PHE 269 CO -0.01 -0.30 -0.06 0.08 0.70 0.00 0.00 175.22 175.64 2i03 s VAL 270 N -2.79 0.58 0.03 -0.44 1.01 0.13 -0.49 120.40 118.44 2i03 s VAL 270 Ca -0.04 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.82 2i03 s VAL 270 Cb -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 2i03 s VAL 270 CO -0.06 0.22 -0.21 0.54 0.00 0.00 0.00 175.10 175.59 2i03 s VAL 271 N 0.61 1.68 -0.56 2.92 0.11 -0.45 -0.90 120.40 123.81 2i03 s VAL 271 Ca -0.08 -1.14 -0.20 0.00 -2.93 0.00 0.00 61.98 57.62 2i03 s VAL 271 Cb -0.12 -1.45 0.07 0.00 -1.53 0.00 0.00 36.38 33.35 2i03 s VAL 271 CO 0.00 0.27 0.73 0.21 -3.33 0.00 0.00 175.10 172.98 2i03 s ASN 272 N -1.04 6.22 0.00 3.54 3.04 -1.26 -1.31 114.94 124.13 2i03 s ASN 272 Ca 0.08 -1.00 0.02 0.00 0.04 0.00 0.00 52.86 51.99 2i03 s ASN 272 Cb -0.09 -2.33 0.10 0.00 -1.54 0.00 0.00 41.25 37.40 2i03 s ASN 272 CO 0.01 -1.07 0.77 0.35 -3.04 0.00 0.00 177.10 174.12 2i03 n THR 273 N 5.71 0.00 0.11 -5.21 -2.24 -0.75 -1.99 114.28 109.91 2i03 n THR 273 Ca -0.06 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.78 2i03 n THR 273 Cb 0.45 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.39 2i03 n THR 273 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2i03 n ASP 274 N -0.54 1.78 -3.08 3.42 8.00 -1.26 -4.58 116.55 120.29 2i03 n ASP 274 Ca 0.01 -0.15 -0.38 0.00 0.71 0.00 0.00 54.79 54.99 2i03 n ASP 274 Cb 0.01 1.48 0.02 0.00 -0.02 0.00 0.00 41.12 42.61 2i03 n ASP 274 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2i03 n SER 275 N -1.82 6.89 -4.18 -2.24 7.64 -0.84 -4.96 113.62 114.10 2i03 n SER 275 Ca -0.01 -3.77 -0.29 0.00 1.01 0.00 0.00 58.87 55.81 2i03 n SER 275 Cb 0.31 -0.98 -0.16 0.00 -1.01 0.00 0.00 64.21 62.36 2i03 n SER 275 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2i03 s LEU 276 N -4.04 1.97 0.00 -3.43 2.34 -1.26 -4.84 118.68 109.42 2i03 s LEU 276 Ca 0.47 -0.44 0.00 0.00 0.06 0.00 0.00 54.13 54.22 2i03 s LEU 276 Cb 0.35 -1.18 0.00 0.00 -0.56 0.00 0.00 46.19 44.79 2i03 s LEU 276 CO -0.28 0.17 0.00 -1.20 -1.06 0.00 0.00 176.35 173.98 2i03 n SER 277 N 3.23 0.00 0.00 1.48 7.64 -1.26 -5.00 113.62 119.71 2i03 n SER 277 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2i03 n SER 277 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2i03 n SER 277 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2i03 n SER 278 N 0.00 0.00 0.00 6.43 3.41 -1.26 -4.92 113.62 117.28 2i03 n SER 278 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2i03 n SER 278 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2i03 n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2i03 n VAL 279 N 0.00 0.00 -3.13 -3.33 0.31 -1.26 -5.06 118.33 105.86 2i03 n VAL 279 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 2i03 n VAL 279 Cb 0.00 -0.15 -0.05 0.00 -0.91 0.00 0.00 33.84 32.73 2i03 n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2i03 s THR 280 N -1.15 5.09 -0.80 2.52 2.01 -1.26 -4.98 115.64 117.07 2i03 s THR 280 Ca 0.00 1.29 -0.25 0.00 0.31 0.00 0.00 61.69 63.04 2i03 s THR 280 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 2i03 s THR 280 CO 0.00 0.27 1.88 0.20 -0.69 0.00 0.00 174.62 176.28 2i03 s ASN 281 N 0.75 5.28 0.09 3.53 0.01 -1.26 -4.50 114.94 118.84 2i03 s ASN 281 Ca 0.34 -0.35 -0.08 0.00 -0.71 0.00 0.00 52.86 52.06 2i03 s ASN 281 Cb -0.17 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.89 2i03 s ASN 281 CO 0.16 -2.54 0.10 0.00 -1.51 0.00 0.00 177.10 173.31 2i03 n ALA 282 N 13.20 -1.73 -2.73 0.60 0.00 -1.26 -4.88 120.51 123.70 2i03 n ALA 282 Ca 0.32 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.49 2i03 n ALA 282 Cb 0.49 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2i03 n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2i03 s THR 283 N -0.42 5.16 -0.12 0.00 2.01 -1.26 -4.99 115.64 116.02 2i03 s THR 283 Ca 0.20 0.11 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 2i03 s THR 283 Cb -0.25 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2i03 s THR 283 CO 0.19 0.38 0.35 -0.44 -0.69 0.00 0.00 174.62 174.41 2i03 s SER 284 N 0.88 6.56 -0.23 3.53 0.01 -1.26 -4.54 113.70 118.64 2i03 s SER 284 Ca 0.06 0.66 -0.13 0.00 1.31 0.00 0.00 55.95 57.85 2i03 s SER 284 Cb -0.13 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2i03 s SER 284 CO 0.03 0.12 0.27 -0.63 0.41 0.00 0.00 173.24 173.44 2i03 s ILE 285 N 0.19 5.28 0.23 1.44 1.09 -0.08 -4.87 121.20 124.48 2i03 s ILE 285 Ca 0.20 0.42 -0.23 0.00 -1.10 0.00 0.00 60.65 59.94 2i03 s ILE 285 Cb -0.14 -3.61 -0.09 0.00 -1.06 0.00 0.00 42.46 37.57 2i03 s ILE 285 CO 0.07 0.29 0.79 -1.58 -0.10 0.00 0.00 174.94 174.41 2i03 s GLN 286 N 1.27 4.41 -0.25 2.79 0.74 -1.26 -0.69 119.66 126.66 2i03 s GLN 286 Ca 0.13 1.05 0.02 0.00 0.05 0.00 0.00 55.36 56.61 2i03 s GLN 286 Cb -0.14 -2.95 0.05 0.00 1.10 0.00 0.00 33.01 31.07 2i03 s GLN 286 CO 0.07 0.41 -0.12 0.42 -0.55 0.00 0.00 175.29 175.51 2i03 s ILE 287 N -1.46 2.20 0.00 -2.34 1.01 -0.43 -4.83 121.20 115.34 2i03 s ILE 287 Ca 0.43 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.57 2i03 s ILE 287 Cb -0.19 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.05 2i03 s ILE 287 CO 0.23 0.06 0.00 0.35 0.00 0.00 0.00 174.94 175.58 2i03 n THR 288 N 4.47 0.00 0.00 2.92 -2.24 -1.26 -4.11 114.28 114.06 2i03 n THR 288 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2i03 n THR 288 Cb 0.43 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2i03 n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i03 n ALA 289 N -3.00 0.00 -1.17 6.98 0.00 -1.26 -4.99 120.51 117.07 2i03 n ALA 289 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2i03 n ALA 289 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 2i03 n ALA 289 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2i03 s PRO 290 N 0.00 1.97 0.23 0.00 0.04 -1.26 -4.88 135.00 131.09 2i03 s PRO 290 Ca 0.00 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 2i03 s PRO 290 Cb 0.00 -1.84 0.32 0.00 0.04 0.00 0.00 34.50 33.01 2i03 s PRO 290 CO 0.00 -1.91 1.81 0.00 0.04 0.00 0.00 177.00 176.94 2i03 h ALA 291 N -0.92 1.03 0.00 8.56 0.00 -1.98 0.31 119.26 126.26 2i03 h ALA 291 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2i03 h ALA 291 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2i03 h ALA 291 CO 0.49 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.69 2i03 n SER 292 N -4.76 0.00 -0.08 0.00 3.41 -1.26 -1.77 113.62 109.16 2i03 n SER 292 Ca 0.11 0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.81 2i03 n SER 292 Cb 0.22 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 2i03 n SER 292 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2i03 n MET 293 N -1.28 0.38 0.28 4.33 0.00 0.85 -4.54 117.12 117.14 2i03 n MET 293 Ca 0.02 0.12 0.19 0.00 0.00 0.00 0.00 57.70 58.02 2i03 n MET 293 Cb 0.03 -1.22 0.93 0.00 0.00 0.00 0.00 33.22 32.96 2i03 n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2i03 h LEU 294 N -0.26 0.00 -2.07 -0.89 3.38 -0.14 -2.98 115.31 112.36 2i03 h LEU 294 Ca -0.38 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.69 2i03 h LEU 294 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2i03 h LEU 294 CO -0.14 0.00 0.33 0.16 0.09 0.00 0.00 178.44 178.87 2i03 h ILE 295 N 0.00 0.56 -1.08 1.22 3.07 -1.58 -3.45 117.51 116.24 2i03 h ILE 295 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2i03 h ILE 295 Cb 0.18 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 2i03 h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2i03 n GLY 296 N -1.52 3.02 3.76 0.16 0.00 -1.12 -5.14 105.19 104.36 2i03 n GLY 296 Ca 0.06 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2i03 n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i03 s ASP 297 N 1.74 6.58 0.37 1.61 1.01 -1.26 -4.95 116.67 121.76 2i03 s ASP 297 Ca 0.00 2.81 -0.05 0.00 0.71 0.00 0.00 52.55 56.01 2i03 s ASP 297 Cb 0.00 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.31 2i03 s ASP 297 CO 0.00 -0.71 0.57 0.00 0.21 0.00 0.00 175.17 175.24 2i03 n HIS 298 N 1.29 -1.71 -4.09 4.23 1.44 -1.26 -1.03 115.22 114.08 2i03 n HIS 298 Ca 0.03 -2.25 -0.07 0.00 -2.01 0.00 0.00 57.72 53.42 2i03 n HIS 298 Cb 0.40 0.66 -0.10 0.00 0.12 0.00 0.00 29.99 31.07 2i03 n HIS 298 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2i03 s TYR 299 N -2.71 0.54 -0.30 -1.40 2.02 0.13 -4.79 117.35 110.85 2i03 s TYR 299 Ca 0.26 -1.04 -0.09 0.00 -0.37 0.00 0.00 57.07 55.83 2i03 s TYR 299 Cb -0.02 -0.39 -0.01 0.00 -0.40 0.00 0.00 41.96 41.14 2i03 s TYR 299 CO 0.19 -0.36 0.12 -1.17 -1.57 0.00 0.00 175.55 172.76 2i03 s LEU 300 N -2.88 3.93 0.00 -1.29 2.96 -1.26 -1.19 118.68 118.95 2i03 s LEU 300 Ca 0.07 -0.49 0.11 0.00 -0.22 0.00 0.00 54.13 53.60 2i03 s LEU 300 Cb 0.07 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2i03 s LEU 300 CO -0.09 -0.16 0.60 0.00 -1.32 0.00 0.00 176.35 175.38 2i03 s ASP 302 N -1.54 -0.40 -0.05 0.00 -1.08 -1.17 -4.89 116.67 107.53 2i03 s ASP 302 Ca 0.08 0.75 0.00 0.00 -0.52 0.00 0.00 52.55 52.86 2i03 s ASP 302 Cb 0.08 0.84 0.03 0.00 -1.46 0.00 0.00 42.92 42.40 2i03 s ASP 302 CO 0.30 -0.13 -0.01 0.54 0.52 0.00 0.00 175.17 176.39 2i03 s VAL 303 N 0.40 0.37 -0.04 1.11 0.11 -1.26 -0.52 120.40 120.58 2i03 s VAL 303 Ca 0.02 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2i03 s VAL 303 Cb -0.05 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2i03 s VAL 303 CO -0.09 0.21 0.00 -0.89 -3.33 0.00 0.00 175.10 171.00 2i03 s THR 304 N 1.31 0.20 0.16 5.04 2.01 -0.16 -5.00 115.64 119.19 2i03 s THR 304 Ca -0.05 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 2i03 s THR 304 Cb -0.13 -0.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.99 2i03 s THR 304 CO -0.02 0.16 0.94 0.26 -0.69 0.00 0.00 174.62 175.27 2i03 s TRP 305 N 1.19 3.88 -0.22 4.92 0.52 -1.26 0.18 118.94 128.15 2i03 s TRP 305 Ca -0.07 1.83 -0.15 0.00 0.02 0.00 0.00 56.10 57.73 2i03 s TRP 305 Cb -0.13 -3.01 -0.18 0.00 -1.15 0.00 0.00 33.47 29.00 2i03 s TRP 305 CO -0.02 0.32 0.01 0.00 0.02 0.00 0.00 176.95 177.27 2i03 n ALA 306 N 2.25 1.00 -3.36 0.98 0.00 0.19 -4.89 120.51 116.68 2i03 n ALA 306 Ca 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.62 2i03 n ALA 306 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 19.45 19.61 2i03 n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2i03 n THR 307 N -4.11 0.00 0.31 0.00 -2.24 -0.65 -4.61 114.28 102.98 2i03 n THR 307 Ca -0.41 -0.64 0.19 0.00 -2.27 0.00 0.00 64.05 60.92 2i03 n THR 307 Cb 0.83 0.37 1.03 0.00 -2.10 0.00 0.00 70.33 70.46 2i03 n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2i03 h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.96 -3.06 115.11 110.39 2i03 h GLN 308 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2i03 h GLN 308 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2i03 h GLN 308 CO 0.12 0.02 -0.08 0.39 -0.95 0.00 0.00 178.83 178.32 2i03 n GLU 309 N -3.40 1.12 -4.03 1.46 1.02 -1.26 -4.85 120.64 110.71 2i03 n GLU 309 Ca -0.03 -1.18 -0.25 0.00 -0.02 0.00 0.00 57.16 55.68 2i03 n GLU 309 Cb 0.11 -0.80 -0.17 0.00 -0.02 0.00 0.00 31.44 30.57 2i03 n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2i03 s ARG 310 N -0.71 1.31 0.14 3.49 3.52 -1.16 -1.63 118.95 123.91 2i03 s ARG 310 Ca 0.04 -0.20 0.10 0.00 -0.13 0.00 0.00 55.73 55.54 2i03 s ARG 310 Cb 0.04 -1.36 -0.04 0.00 -1.56 0.00 0.00 34.95 32.03 2i03 s ARG 310 CO 0.00 -0.20 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.56 2i03 s ILE 311 N 1.48 2.06 -0.04 4.11 2.07 -0.59 0.53 121.20 130.81 2i03 s ILE 311 Ca -0.00 -1.77 0.06 0.00 -1.41 0.00 0.00 60.65 57.53 2i03 s ILE 311 Cb -0.13 -1.87 -0.01 0.00 0.13 0.00 0.00 42.46 40.58 2i03 s ILE 311 CO -0.05 -0.05 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.77 2i03 s SER 312 N -2.22 2.67 0.05 4.50 1.04 0.13 -0.50 113.70 119.37 2i03 s SER 312 Ca 0.13 -0.43 0.09 0.00 0.48 0.00 0.00 55.95 56.22 2i03 s SER 312 Cb -0.09 -0.56 -0.03 0.00 0.10 0.00 0.00 66.02 65.44 2i03 s SER 312 CO 0.06 0.24 -0.24 -0.76 0.98 0.00 0.00 173.24 173.51 2i03 s LEU 313 N -0.26 2.18 -0.11 2.42 2.01 0.11 -0.99 118.68 124.03 2i03 s LEU 313 Ca 0.01 -0.58 0.03 0.00 0.01 0.00 0.00 54.13 53.60 2i03 s LEU 313 Cb -0.11 -1.17 0.01 0.00 0.01 0.00 0.00 46.19 44.92 2i03 s LEU 313 CO 0.01 0.22 -0.20 -1.10 1.01 0.00 0.00 176.35 176.29 2i03 s GLN 314 N -1.27 2.68 0.10 1.70 -0.21 0.33 0.02 119.66 123.00 2i03 s GLN 314 Ca 0.10 -0.74 0.08 0.00 0.02 0.00 0.00 55.36 54.82 2i03 s GLN 314 Cb -0.10 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 2i03 s GLN 314 CO 0.02 0.06 -0.17 -1.58 -2.12 0.00 0.00 175.29 171.50 2i03 s TRP 315 N 0.64 2.58 -0.02 0.91 0.52 0.32 -1.07 118.94 122.82 2i03 s TRP 315 Ca -0.13 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.77 2i03 s TRP 315 Cb -0.16 -1.39 0.00 0.00 -1.15 0.00 0.00 33.47 30.78 2i03 s TRP 315 CO 0.03 0.37 -0.07 -1.17 0.02 0.00 0.00 176.95 176.13 2i03 s LEU 316 N -2.01 1.76 0.72 2.99 2.96 -0.33 -1.21 118.68 123.55 2i03 s LEU 316 Ca 0.18 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.81 2i03 s LEU 316 Cb -0.11 -0.44 0.04 0.00 0.50 0.00 0.00 46.19 46.17 2i03 s LEU 316 CO 0.10 0.04 1.13 -0.13 -1.32 0.00 0.00 176.35 176.17 2i03 s ARG 317 N 0.24 2.36 0.56 1.98 0.52 -0.79 0.23 118.95 124.05 2i03 s ARG 317 Ca -0.03 1.44 0.24 0.00 -0.52 0.00 0.00 55.73 56.85 2i03 s ARG 317 Cb -0.08 -1.89 1.57 0.00 0.52 0.00 0.00 34.95 35.07 2i03 s ARG 317 CO 0.00 -1.60 2.20 -0.09 0.02 0.00 0.00 175.30 175.83 2i03 h ARG 318 N -0.48 0.00 -4.66 3.54 2.43 -1.39 -2.81 114.38 111.00 2i03 h ARG 318 Ca -0.46 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.00 2i03 h ARG 318 Cb 1.26 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.61 2i03 h ARG 318 CO 0.51 0.00 0.34 0.42 -1.51 0.00 0.00 179.97 179.73 2i03 s ILE 319 N -4.83 4.92 -0.26 1.20 -1.09 -1.26 -4.83 121.20 115.04 2i03 s ILE 319 Ca -0.05 -1.40 -0.02 0.00 -2.23 0.00 0.00 60.65 56.95 2i03 s ILE 319 Cb 0.16 -4.58 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 2i03 s ILE 319 CO 0.60 -1.23 1.48 0.00 -1.23 0.00 0.00 174.94 174.55 2i03 n GLN 320 N 6.03 0.83 -0.02 2.79 6.02 -1.06 -3.57 117.38 128.40 2i03 n GLN 320 Ca 0.04 -0.68 0.01 0.00 -0.01 0.00 0.00 57.00 56.36 2i03 n GLN 320 Cb 0.45 -1.98 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 2i03 n GLN 320 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2i03 n ASN 321 N 3.86 3.04 -3.88 1.08 3.02 -1.26 -2.31 115.26 118.80 2i03 n ASN 321 Ca 0.18 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.51 2i03 n ASN 321 Cb 0.15 1.08 -0.17 0.00 -0.61 0.00 0.00 39.78 40.23 2i03 n ASN 321 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2i03 s TYR 322 N -2.42 0.89 -0.02 3.10 6.14 -1.23 -1.77 117.35 122.03 2i03 s TYR 322 Ca -0.03 -0.29 0.02 0.00 0.64 0.00 0.00 57.07 57.40 2i03 s TYR 322 Cb 0.04 -0.80 0.01 0.00 0.42 0.00 0.00 41.96 41.63 2i03 s TYR 322 CO 0.34 -0.27 -0.06 -1.54 0.64 0.00 0.00 175.55 174.67 2i03 s SER 323 N 1.21 0.86 -0.10 4.32 1.04 0.64 -1.88 113.70 119.80 2i03 s SER 323 Ca -0.06 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.26 2i03 s SER 323 Cb -0.14 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.69 2i03 s SER 323 CO -0.02 0.02 -0.14 -0.69 0.98 0.00 0.00 173.24 173.39 2i03 s VAL 324 N 0.38 3.05 -0.16 5.02 1.01 -0.35 -0.24 120.40 129.10 2i03 s VAL 324 Ca -0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2i03 s VAL 324 Cb -0.09 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2i03 s VAL 324 CO 0.00 0.55 -0.01 -0.32 0.00 0.00 0.00 175.10 175.32 2i03 s MET 325 N -0.06 3.74 -0.02 2.72 1.75 0.29 -0.52 119.30 127.21 2i03 s MET 325 Ca -0.03 -0.46 0.04 0.00 -1.25 0.00 0.00 55.69 53.99 2i03 s MET 325 Cb -0.14 -3.00 -0.03 0.00 2.84 0.00 0.00 34.83 34.50 2i03 s MET 325 CO 0.04 0.27 -0.12 -0.51 -0.65 0.00 0.00 175.02 174.05 2i03 s ASP 326 N 0.32 4.25 -0.25 1.11 1.01 0.10 -1.61 116.67 121.60 2i03 s ASP 326 Ca -0.02 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.06 2i03 s ASP 326 Cb -0.14 -0.91 0.05 0.00 1.01 0.00 0.00 42.92 42.93 2i03 s ASP 326 CO 0.02 0.31 -0.11 -0.63 0.21 0.00 0.00 175.17 174.97 2i03 s ILE 327 N -0.86 2.31 0.02 0.77 1.01 -1.26 -0.72 121.20 122.47 2i03 s ILE 327 Ca 0.14 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.40 2i03 s ILE 327 Cb -0.11 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2i03 s ILE 327 CO 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 174.94 175.06 2i03 s ASP 329 N -1.65 3.16 0.12 0.00 1.11 0.26 -1.55 116.67 118.12 2i03 s ASP 329 Ca 0.20 -0.48 -0.31 0.00 0.18 0.00 0.00 52.55 52.14 2i03 s ASP 329 Cb -0.11 -0.37 -0.07 0.00 1.07 0.00 0.00 42.92 43.44 2i03 s ASP 329 CO 0.11 0.31 1.27 -0.47 1.18 0.00 0.00 175.17 177.56 2i03 s TYR 330 N -0.67 3.36 -0.39 4.23 5.04 -0.65 -1.29 117.35 126.98 2i03 s TYR 330 Ca 0.11 1.22 -0.15 0.00 -2.44 0.00 0.00 57.07 55.81 2i03 s TYR 330 Cb -0.10 -3.52 0.01 0.00 0.35 0.00 0.00 41.96 38.70 2i03 s TYR 330 CO -0.00 -1.65 0.31 0.34 -1.34 0.00 0.00 175.55 173.21 2i03 s ASP 331 N 0.75 6.12 0.15 4.32 -1.08 -0.11 -4.95 116.67 121.87 2i03 s ASP 331 Ca 0.59 -0.73 -0.27 0.00 -0.52 0.00 0.00 52.55 51.61 2i03 s ASP 331 Cb -0.33 -2.17 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 2i03 s ASP 331 CO 0.32 -0.42 1.58 -0.08 0.52 0.00 0.00 175.17 177.10 2i03 h GLU 332 N 8.61 -0.37 -1.20 4.34 4.57 -1.94 0.27 114.58 128.85 2i03 h GLU 332 Ca -0.28 0.03 -0.48 0.00 -1.18 0.00 0.00 59.36 57.45 2i03 h GLU 332 Cb 1.13 0.08 -0.22 0.00 -0.16 0.00 0.00 28.75 29.58 2i03 h GLU 332 CO 0.72 -0.25 0.62 0.45 -1.18 0.00 0.00 179.01 179.37 2i03 n SER 333 N -5.42 6.37 0.00 1.04 2.88 -1.26 -3.89 113.62 113.33 2i03 n SER 333 Ca -0.02 -3.39 0.00 0.00 -1.33 0.00 0.00 58.87 54.13 2i03 n SER 333 Cb 0.35 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2i03 n SER 333 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2i03 n SER 334 N -0.39 0.00 0.00 -3.46 7.64 -0.93 -5.02 113.62 111.46 2i03 n SER 334 Ca 0.46 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2i03 n SER 334 Cb 0.78 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2i03 n SER 334 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i03 n GLY 335 N 0.93 2.74 3.99 0.23 0.00 0.90 -5.00 105.19 108.97 2i03 n GLY 335 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2i03 n GLY 335 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i03 s ARG 336 N -0.14 1.38 -0.09 1.61 1.04 -1.26 -4.80 118.95 116.70 2i03 s ARG 336 Ca 0.00 -1.11 0.04 0.00 -1.04 0.00 0.00 55.73 53.62 2i03 s ARG 336 Cb 0.00 -2.25 -0.01 0.00 -2.04 0.00 0.00 34.95 30.65 2i03 s ARG 336 CO 0.00 -1.69 -0.22 -1.58 -0.04 0.00 0.00 175.30 171.76 2i03 s TRP 337 N -3.29 2.56 -0.11 5.89 0.52 -1.26 -0.93 118.94 122.31 2i03 s TRP 337 Ca 0.69 -0.85 0.01 0.00 0.02 0.00 0.00 56.10 55.97 2i03 s TRP 337 Cb -0.04 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 2i03 s TRP 337 CO 0.46 -0.30 -0.16 -0.80 0.02 0.00 0.00 176.95 176.17 2i03 s ASN 338 N 0.13 3.76 -0.40 2.95 0.02 -0.41 -4.90 114.94 116.09 2i03 s ASN 338 Ca -0.12 -0.38 -0.06 0.00 -1.02 0.00 0.00 52.86 51.29 2i03 s ASN 338 Cb -0.16 -1.47 0.09 0.00 0.02 0.00 0.00 41.25 39.73 2i03 s ASN 338 CO 0.06 0.18 0.20 0.00 0.02 0.00 0.00 177.10 177.57 2i03 s LEU 340 N 1.29 4.19 0.41 0.00 1.43 -1.25 -4.96 118.68 119.78 2i03 s LEU 340 Ca 0.04 1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 54.85 2i03 s LEU 340 Cb -0.23 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 2i03 s LEU 340 CO -0.01 -0.97 1.37 0.54 0.23 0.00 0.00 176.35 177.51 2i03 s VAL 341 N 4.22 2.38 0.00 -1.59 0.11 -1.26 -0.87 120.40 123.38 2i03 s VAL 341 Ca 0.69 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 2i03 s VAL 341 Cb -0.29 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 2i03 s VAL 341 CO 0.26 0.06 0.00 0.00 -3.33 0.00 0.00 175.10 172.09 2i03 n ALA 342 N 0.14 0.00 0.71 1.54 0.00 -1.26 -4.76 120.51 116.87 2i03 n ALA 342 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.55 2i03 n ALA 342 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 2i03 n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i03 n ARG 343 N -0.17 1.75 -3.12 0.00 1.74 -0.05 -4.23 116.66 112.58 2i03 n ARG 343 Ca 0.00 -0.66 -0.39 0.00 -0.77 0.00 0.00 57.85 56.03 2i03 n ARG 343 Cb 0.00 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 2i03 n ARG 343 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2i03 s GLN 344 N -1.98 4.39 -0.04 5.56 -2.07 -1.23 -4.28 119.66 120.01 2i03 s GLN 344 Ca 0.12 0.91 0.07 0.00 -1.82 0.00 0.00 55.36 54.63 2i03 s GLN 344 Cb 0.13 -3.31 -0.02 0.00 -1.09 0.00 0.00 33.01 28.72 2i03 s GLN 344 CO 0.44 0.45 -0.24 -1.01 -1.32 0.00 0.00 175.29 173.61 2i03 s HIS 345 N -0.55 2.43 -0.09 9.60 3.76 -0.63 -4.92 115.29 124.88 2i03 s HIS 345 Ca 0.34 -0.52 -0.05 0.00 -0.15 0.00 0.00 55.06 54.67 2i03 s HIS 345 Cb -0.20 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 2i03 s HIS 345 CO 0.21 -0.09 0.13 0.42 -0.85 0.00 0.00 174.74 174.57 2i03 s ILE 346 N -0.43 5.36 -0.09 0.60 1.01 -1.26 -0.55 121.20 125.85 2i03 s ILE 346 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 2i03 s ILE 346 Cb -0.12 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 39.01 2i03 s ILE 346 CO 0.01 0.55 -0.05 -0.70 0.00 0.00 0.00 174.94 174.76 2i03 s GLU 347 N -1.22 1.13 0.15 2.79 2.12 0.66 -5.00 118.70 119.33 2i03 s GLU 347 Ca 0.17 -0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 2i03 s GLU 347 Cb -0.12 -1.26 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 2i03 s GLU 347 CO 0.07 -0.23 0.12 0.00 -0.54 0.00 0.00 175.26 174.68 2i03 s MET 348 N 1.61 1.01 0.01 4.30 0.23 -1.26 -0.26 119.30 124.94 2i03 s MET 348 Ca 0.01 -1.40 -0.00 0.00 -1.03 0.00 0.00 55.69 53.27 2i03 s MET 348 Cb -0.13 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 33.43 2i03 s MET 348 CO -0.05 -0.31 -0.01 0.45 -2.03 0.00 0.00 175.02 173.07 2i03 s SER 349 N -3.04 0.16 -0.01 -1.18 0.15 -0.73 -4.98 113.70 104.06 2i03 s SER 349 Ca 0.24 -0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.65 2i03 s SER 349 Cb 0.06 0.08 -0.14 0.00 -1.71 0.00 0.00 66.02 64.31 2i03 s SER 349 CO 0.03 -0.22 0.23 0.35 1.20 0.00 0.00 173.24 174.82 2i03 n THR 350 N 2.03 0.00 -0.02 6.45 -2.24 -1.26 -4.59 114.28 114.64 2i03 n THR 350 Ca -0.20 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 2i03 n THR 350 Cb 0.56 0.34 -0.14 0.00 -2.10 0.00 0.00 70.33 69.00 2i03 n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2i03 n THR 351 N -1.78 1.62 0.00 4.28 -2.24 -1.26 -5.05 114.28 109.86 2i03 n THR 351 Ca -0.01 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2i03 n THR 351 Cb 0.24 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 2i03 n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i03 n GLY 352 N 1.59 3.27 3.99 3.38 0.00 -1.26 -4.83 105.19 111.32 2i03 n GLY 352 Ca -0.18 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 2i03 n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2i03 s TRP 353 N 0.52 2.79 -0.13 1.61 -2.14 -1.26 -4.65 118.94 115.68 2i03 s TRP 353 Ca 0.00 -0.42 -0.22 0.00 2.66 0.00 0.00 56.10 58.12 2i03 s TRP 353 Cb 0.00 -2.35 -0.03 0.00 -3.10 0.00 0.00 33.47 27.99 2i03 s TRP 353 CO 0.00 -0.37 0.68 0.08 -2.66 0.00 0.00 176.95 174.67 2i03 s VAL 354 N -2.37 5.02 0.00 -0.66 1.01 -0.98 -4.84 120.40 117.59 2i03 s VAL 354 Ca 0.54 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.87 2i03 s VAL 354 Cb -0.09 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2i03 s VAL 354 CO 0.32 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2i03 n GLY 355 N 3.40 -1.55 0.20 4.51 0.00 -1.26 -3.68 105.19 106.80 2i03 n GLY 355 Ca -0.01 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 2i03 n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i03 h ARG 356 N 0.00 -0.41 0.00 1.61 3.08 -1.95 -3.40 114.38 113.31 2i03 h ARG 356 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2i03 h ARG 356 Cb 0.00 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2i03 h ARG 356 CO 0.00 -0.10 -0.02 1.19 -1.07 0.00 0.00 179.97 179.97 2i03 n PHE 357 N -5.07 0.00 -3.60 3.04 3.72 -1.26 -4.92 117.46 109.36 2i03 n PHE 357 Ca -0.08 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.28 2i03 n PHE 357 Cb 0.25 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 2i03 n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2i03 s ARG 358 N -0.76 0.27 0.26 -1.08 1.70 -1.26 -5.00 118.95 113.08 2i03 s ARG 358 Ca 0.00 -0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.86 2i03 s ARG 358 Cb 0.00 0.13 -0.14 0.00 -0.57 0.00 0.00 34.95 34.37 2i03 s ARG 358 CO 0.00 -0.12 1.27 -2.30 -1.08 0.00 0.00 175.30 173.07 2i03 n PRO 359 N -0.08 1.77 -0.97 3.89 -0.02 -1.24 -4.35 135.00 133.99 2i03 n PRO 359 Ca 0.01 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 2i03 n PRO 359 Cb 0.58 -2.19 0.13 0.00 -0.02 0.00 0.00 33.50 32.01 2i03 n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2i03 s SER 360 N -0.04 3.57 0.19 2.55 1.04 -1.26 -4.96 113.70 114.80 2i03 s SER 360 Ca 0.65 2.11 -0.15 0.00 0.48 0.00 0.00 55.95 59.03 2i03 s SER 360 Cb -0.68 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 62.81 2i03 s SER 360 CO 0.55 -2.67 0.62 -0.70 0.98 0.00 0.00 173.24 172.01 2i03 s GLU 361 N -4.61 4.03 0.35 4.02 2.12 -1.26 -4.92 118.70 118.44 2i03 s GLU 361 Ca 0.66 0.59 -0.15 0.00 0.36 0.00 0.00 54.97 56.42 2i03 s GLU 361 Cb -0.22 -2.83 -0.09 0.00 0.26 0.00 0.00 34.13 31.25 2i03 s GLU 361 CO 0.55 0.40 0.78 -1.25 -0.54 0.00 0.00 175.26 175.21 2i03 s PRO 362 N -2.17 4.01 -0.27 4.30 0.04 -1.26 -4.56 135.00 135.08 2i03 s PRO 362 Ca 0.42 0.72 0.02 0.00 0.04 0.00 0.00 61.00 62.20 2i03 s PRO 362 Cb -0.14 -2.38 0.07 0.00 0.04 0.00 0.00 34.50 32.09 2i03 s PRO 362 CO 0.20 0.09 -0.05 -1.01 0.04 0.00 0.00 177.00 176.27 2i03 s HIS 363 N -2.08 2.90 0.27 0.56 3.76 0.95 -4.94 115.29 116.72 2i03 s HIS 363 Ca 0.55 -2.18 -0.19 0.00 -0.15 0.00 0.00 55.06 53.09 2i03 s HIS 363 Cb -0.10 -1.95 -0.09 0.00 1.11 0.00 0.00 32.58 31.55 2i03 s HIS 363 CO 0.19 -0.85 0.77 -0.06 -0.85 0.00 0.00 174.74 173.94 2i03 s PHE 364 N 1.22 3.57 0.67 1.40 0.40 -1.26 0.01 117.98 123.99 2i03 s PHE 364 Ca -0.03 1.42 -0.11 0.00 -0.60 0.00 0.00 56.93 57.61 2i03 s PHE 364 Cb -0.19 -2.65 -0.01 0.00 0.51 0.00 0.00 43.02 40.68 2i03 s PHE 364 CO -0.07 0.23 1.05 0.95 0.70 0.00 0.00 175.22 178.08 2i03 s THR 365 N -1.69 4.22 0.26 0.64 -4.23 -0.91 -4.87 115.64 109.06 2i03 s THR 365 Ca 0.48 0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 61.58 2i03 s THR 365 Cb -0.15 -3.58 0.36 0.00 1.34 0.00 0.00 72.50 70.47 2i03 s THR 365 CO 0.20 -0.94 1.56 0.25 -0.54 0.00 0.00 174.62 175.14 2i03 h LEU 366 N -0.57 -1.16 0.00 4.79 5.85 -1.93 0.41 115.31 122.70 2i03 h LEU 366 Ca -0.44 0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2i03 h LEU 366 Cb 1.21 0.68 0.00 0.00 0.37 0.00 0.00 40.66 42.92 2i03 h LEU 366 CO 0.59 -0.31 0.00 -0.90 -0.34 0.00 0.00 178.44 177.48 2i03 n ASP 367 N -5.56 0.00 -0.96 1.25 5.68 -1.26 -4.86 116.55 110.84 2i03 n ASP 367 Ca 0.13 -0.40 -0.12 0.00 -0.50 0.00 0.00 54.79 53.90 2i03 n ASP 367 Cb 0.45 -0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 40.26 2i03 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i03 n GLY 368 N 0.38 1.22 0.38 6.12 0.00 0.14 -4.84 105.19 108.59 2i03 n GLY 368 Ca 0.13 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2i03 n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i03 n ASN 369 N -1.09 1.34 -3.82 1.61 5.03 -1.26 -4.88 115.26 112.19 2i03 n ASN 369 Ca -0.12 -1.19 -0.08 0.00 0.87 0.00 0.00 54.58 54.05 2i03 n ASN 369 Cb 0.58 0.10 -0.03 0.00 -1.02 0.00 0.00 39.78 39.42 2i03 n ASN 369 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2i03 s SER 370 N -2.30 -0.27 0.15 6.41 1.04 -1.26 -2.02 113.70 115.45 2i03 s SER 370 Ca 0.29 -0.57 -0.24 0.00 0.48 0.00 0.00 55.95 55.91 2i03 s SER 370 Cb 0.20 0.68 0.07 0.00 0.10 0.00 0.00 66.02 67.06 2i03 s SER 370 CO 0.45 -1.25 0.70 0.72 0.98 0.00 0.00 173.24 174.84 2i03 s PHE 371 N -3.91 -0.41 0.03 5.02 -0.12 0.11 -2.14 117.98 116.56 2i03 s PHE 371 Ca 0.11 0.17 0.08 0.00 -0.05 0.00 0.00 56.93 57.24 2i03 s PHE 371 Cb -0.04 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 2i03 s PHE 371 CO 0.04 -0.86 -0.23 0.71 -0.05 0.00 0.00 175.22 174.82 2i03 s TYR 372 N -3.64 2.41 -0.03 3.49 1.51 0.10 -0.16 117.35 121.04 2i03 s TYR 372 Ca 0.04 -0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 55.48 2i03 s TYR 372 Cb -0.02 -1.44 0.06 0.00 -0.11 0.00 0.00 41.96 40.45 2i03 s TYR 372 CO -0.08 0.14 0.57 -1.59 -1.11 0.00 0.00 175.55 173.48 2i03 s LYS 373 N -1.17 0.96 -0.23 -0.62 -2.85 -0.89 -0.03 119.74 114.90 2i03 s LYS 373 Ca 0.12 0.08 -0.27 0.00 -1.00 0.00 0.00 55.97 54.90 2i03 s LYS 373 Cb -0.10 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 2i03 s LYS 373 CO 0.02 -0.30 0.96 0.42 0.10 0.00 0.00 175.35 176.55 2i03 s ILE 374 N -1.40 4.74 0.19 3.79 1.01 -1.26 -0.92 121.20 127.36 2i03 s ILE 374 Ca -0.11 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.42 2i03 s ILE 374 Cb -0.01 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 2i03 s ILE 374 CO 0.07 -0.14 -0.00 0.27 0.00 0.00 0.00 174.94 175.14 2i03 s ILE 375 N 3.07 0.81 0.24 2.92 -4.36 -0.39 -4.49 121.20 118.99 2i03 s ILE 375 Ca 0.41 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.50 2i03 s ILE 375 Cb -0.15 -2.19 -0.09 0.00 1.25 0.00 0.00 42.46 41.28 2i03 s ILE 375 CO 0.06 -0.42 1.09 -0.55 0.24 0.00 0.00 174.94 175.36 2i03 s SER 376 N -3.22 7.29 1.13 4.36 0.15 -1.26 -1.12 113.70 121.03 2i03 s SER 376 Ca 0.25 2.19 -0.16 0.00 0.70 0.00 0.00 55.95 58.93 2i03 s SER 376 Cb 0.06 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 62.00 2i03 s SER 376 CO 0.06 -0.15 1.09 0.21 1.20 0.00 0.00 173.24 175.65 2i03 s ASN 377 N -0.65 1.49 0.28 5.45 3.84 0.24 -4.86 114.94 120.73 2i03 s ASN 377 Ca 0.46 0.88 0.25 0.00 0.21 0.00 0.00 52.86 54.66 2i03 s ASN 377 Cb -0.31 -1.31 0.66 0.00 -0.55 0.00 0.00 41.25 39.74 2i03 s ASN 377 CO 0.38 -3.80 1.72 -0.08 -2.79 0.00 0.00 177.10 172.54 2i03 h GLU 378 N -2.36 0.00 -0.02 0.43 4.57 -1.96 -2.41 114.58 112.82 2i03 h GLU 378 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2i03 h GLU 378 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2i03 h GLU 378 CO 0.44 0.00 -0.05 -1.91 -1.18 0.00 0.00 179.01 176.31 2i03 n GLU 379 N -2.53 2.04 -0.46 1.92 2.13 -1.26 -4.96 120.64 117.52 2i03 n GLU 379 Ca 0.05 -1.60 0.00 0.00 0.66 0.00 0.00 57.16 56.27 2i03 n GLU 379 Cb 0.46 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.70 2i03 n GLU 379 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i03 n GLY 380 N 1.32 0.77 3.59 8.31 0.00 -0.91 -4.83 105.19 113.45 2i03 n GLY 380 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2i03 n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i03 s TYR 381 N -2.03 3.00 -0.20 1.61 1.51 -1.26 0.70 117.35 120.68 2i03 s TYR 381 Ca 0.00 0.01 -0.29 0.00 -1.01 0.00 0.00 57.07 55.78 2i03 s TYR 381 Cb 0.00 -1.77 -0.00 0.00 -0.11 0.00 0.00 41.96 40.08 2i03 s TYR 381 CO 0.00 0.31 1.14 1.03 -1.11 0.00 0.00 175.55 176.92 2i03 s ARG 382 N -0.65 4.25 0.12 -0.62 0.52 -1.26 0.80 118.95 122.11 2i03 s ARG 382 Ca 0.10 1.49 -0.01 0.00 -0.52 0.00 0.00 55.73 56.79 2i03 s ARG 382 Cb -0.12 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 2i03 s ARG 382 CO 0.02 -0.67 0.03 -1.01 0.02 0.00 0.00 175.30 173.70 2i03 s HIS 383 N 3.34 0.86 -0.10 -0.53 3.76 -0.28 -1.62 115.29 120.73 2i03 s HIS 383 Ca 0.49 -1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 53.92 2i03 s HIS 383 Cb -0.18 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 2i03 s HIS 383 CO 0.10 -0.45 1.18 0.42 -0.85 0.00 0.00 174.74 175.14 2i03 s ILE 384 N -3.97 4.35 -0.03 0.60 1.01 -1.26 -1.27 121.20 120.64 2i03 s ILE 384 Ca 0.21 1.66 0.03 0.00 0.00 0.00 0.00 60.65 62.55 2i03 s ILE 384 Cb 0.07 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 2i03 s ILE 384 CO 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 174.94 174.79 2i03 s TYR 386 N -0.83 3.25 0.10 0.00 5.04 0.12 -2.10 117.35 122.93 2i03 s TYR 386 Ca 0.13 0.07 0.09 0.00 -2.44 0.00 0.00 57.07 54.92 2i03 s TYR 386 Cb -0.11 -2.26 -0.04 0.00 0.35 0.00 0.00 41.96 39.90 2i03 s TYR 386 CO 0.03 -0.04 -0.19 -0.06 -1.34 0.00 0.00 175.55 173.94 2i03 s PHE 387 N 1.20 2.51 -0.21 4.97 0.40 0.77 -2.10 117.98 125.52 2i03 s PHE 387 Ca 0.06 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 56.03 2i03 s PHE 387 Cb -0.14 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 2i03 s PHE 387 CO 0.05 0.35 0.11 -0.65 0.70 0.00 0.00 175.22 175.78 2i03 s GLN 388 N -1.97 4.03 0.63 0.44 1.11 -1.26 -0.71 119.66 121.93 2i03 s GLN 388 Ca 0.17 -0.30 0.30 0.00 0.01 0.00 0.00 55.36 55.53 2i03 s GLN 388 Cb -0.10 -3.37 1.62 0.00 -1.01 0.00 0.00 33.01 30.14 2i03 s GLN 388 CO 0.08 0.18 1.96 -0.84 0.01 0.00 0.00 175.29 176.68 2i03 h ILE 389 N 4.92 0.19 -0.23 1.08 3.07 -1.74 -1.36 117.51 123.43 2i03 h ILE 389 Ca -0.38 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 65.94 2i03 h ILE 389 Cb 1.16 0.69 -0.05 0.00 -0.27 0.00 0.00 36.82 38.35 2i03 h ILE 389 CO 0.69 0.00 -0.11 -0.90 -1.05 0.00 0.00 178.15 176.78 2i03 n ASP 390 N -3.29 2.67 -3.92 2.16 5.75 -1.26 -4.12 116.55 114.53 2i03 n ASP 390 Ca 0.02 -3.52 -0.23 0.00 -0.01 0.00 0.00 54.79 51.04 2i03 n ASP 390 Cb 0.45 -0.57 -0.17 0.00 -1.03 0.00 0.00 41.12 39.80 2i03 n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2i03 s LYS 391 N -3.10 1.22 0.11 0.11 3.01 -0.51 -4.86 119.74 115.71 2i03 s LYS 391 Ca 0.41 -0.21 -0.22 0.00 -1.01 0.00 0.00 55.97 54.94 2i03 s LYS 391 Cb 0.37 -1.18 -0.08 0.00 -1.01 0.00 0.00 37.83 35.93 2i03 s LYS 391 CO 0.01 -0.11 1.71 1.57 0.51 0.00 0.00 175.35 179.04 2i03 h LYS 392 N 7.44 -0.08 -6.44 1.68 2.10 -1.88 -3.40 116.57 116.00 2i03 h LYS 392 Ca -0.32 0.01 -0.54 0.00 -2.00 0.00 0.00 60.65 57.79 2i03 h LYS 392 Cb 1.16 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 2i03 h LYS 392 CO 0.44 -0.05 0.03 -0.51 -2.00 0.00 0.00 179.45 177.36 2i03 s ASP 393 N -5.13 7.02 0.42 7.07 1.01 -1.26 -4.98 116.67 120.82 2i03 s ASP 393 Ca -0.14 1.31 0.07 0.00 0.71 0.00 0.00 52.55 54.51 2i03 s ASP 393 Cb 0.08 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 2i03 s ASP 393 CO 0.67 0.11 0.21 0.00 0.21 0.00 0.00 175.17 176.37 2i03 s THR 395 N -2.60 1.91 0.21 0.00 2.01 -0.89 -4.88 115.64 111.41 2i03 s THR 395 Ca 0.41 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 2i03 s THR 395 Cb 0.03 -1.74 -0.09 0.00 0.01 0.00 0.00 72.50 70.70 2i03 s THR 395 CO 0.23 0.52 1.30 -0.36 -0.69 0.00 0.00 174.62 175.61 2i03 s PHE 396 N 1.33 3.25 -0.67 4.92 0.08 -1.26 -0.70 117.98 124.93 2i03 s PHE 396 Ca 0.05 1.25 0.14 0.00 0.12 0.00 0.00 56.93 58.49 2i03 s PHE 396 Cb -0.13 -3.60 -0.14 0.00 -0.57 0.00 0.00 43.02 38.58 2i03 s PHE 396 CO -0.12 -1.83 0.59 0.44 -0.10 0.00 0.00 175.22 174.20 2i03 n ILE 397 N 2.42 0.00 -4.23 0.64 -5.35 -0.19 -4.93 119.36 107.71 2i03 n ILE 397 Ca 0.05 -0.18 -0.15 0.00 -0.27 0.00 0.00 62.75 62.20 2i03 n ILE 397 Cb 0.43 1.01 -0.10 0.00 -1.74 0.00 0.00 39.64 39.23 2i03 n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2i03 s THR 398 N -2.27 1.13 0.11 7.28 -4.23 -1.25 -4.89 115.64 111.52 2i03 s THR 398 Ca 0.05 -1.94 -0.25 0.00 -1.18 0.00 0.00 61.69 58.38 2i03 s THR 398 Cb 0.10 -1.71 0.08 0.00 1.34 0.00 0.00 72.50 72.31 2i03 s THR 398 CO 0.55 -0.68 0.77 -1.59 -0.54 0.00 0.00 174.62 173.14 2i03 s LYS 399 N -3.44 1.15 0.00 3.99 -2.85 -1.26 -4.65 119.74 112.68 2i03 s LYS 399 Ca 0.13 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 2i03 s LYS 399 Cb 0.01 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2i03 s LYS 399 CO 0.01 -0.51 0.00 0.41 0.10 0.00 0.00 175.35 175.35 2i03 n GLY 400 N -0.35 2.41 2.52 0.59 0.00 -1.26 -4.91 105.19 104.19 2i03 n GLY 400 Ca -0.11 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 2i03 n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i03 n THR 401 N -1.81 5.32 -3.85 2.61 -2.24 -1.26 -4.81 114.28 108.24 2i03 n THR 401 Ca 0.00 -4.59 -0.08 0.00 -2.27 0.00 0.00 64.05 57.11 2i03 n THR 401 Cb 0.00 -1.94 -0.00 0.00 -2.10 0.00 0.00 70.33 66.29 2i03 n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2i03 s TRP 402 N -1.85 -0.03 0.06 4.78 1.48 -1.26 -5.05 118.94 117.08 2i03 s TRP 402 Ca 0.51 -0.52 0.06 0.00 -1.06 0.00 0.00 56.10 55.09 2i03 s TRP 402 Cb 0.20 0.74 -0.03 0.00 -1.16 0.00 0.00 33.47 33.22 2i03 s TRP 402 CO -0.11 -1.37 -0.16 -1.21 -4.06 0.00 0.00 176.95 170.04 2i03 s GLU 403 N -3.23 0.94 -0.23 3.25 2.02 -1.26 -4.56 118.70 115.63 2i03 s GLU 403 Ca 0.13 -0.92 -0.27 0.00 0.02 0.00 0.00 54.97 53.94 2i03 s GLU 403 Cb -0.05 -0.99 0.00 0.00 0.10 0.00 0.00 34.13 33.18 2i03 s GLU 403 CO 0.09 0.23 0.93 0.08 0.02 0.00 0.00 175.26 176.61 2i03 s VAL 404 N -1.08 4.77 -0.02 2.63 1.01 -0.64 -2.18 120.40 124.89 2i03 s VAL 404 Ca 0.01 1.79 -0.21 0.00 0.00 0.00 0.00 61.98 63.57 2i03 s VAL 404 Cb -0.09 -4.21 -0.27 0.00 0.00 0.00 0.00 36.38 31.81 2i03 s VAL 404 CO 0.02 -0.12 1.01 0.40 0.00 0.00 0.00 175.10 176.42 2i03 h ILE 405 N 5.42 1.46 -1.82 2.22 1.08 0.11 -3.45 117.51 122.52 2i03 h ILE 405 Ca -0.22 -2.29 0.03 0.00 -0.39 0.00 0.00 64.86 61.99 2i03 h ILE 405 Cb 1.08 2.86 -0.21 0.00 -3.07 0.00 0.00 36.82 37.49 2i03 h ILE 405 CO 0.92 0.66 0.40 -0.83 -0.69 0.00 0.00 178.15 178.61 2i03 s GLY 406 N -4.24 -0.41 -0.24 5.37 0.00 -1.01 -4.97 107.32 101.82 2i03 s GLY 406 Ca -0.13 1.64 -0.21 0.00 0.00 0.00 0.00 44.72 46.02 2i03 s GLY 406 CO 0.83 0.93 0.65 -0.42 0.00 0.00 0.00 173.10 175.08 2i03 s ILE 407 N -1.36 4.98 -0.16 0.90 1.01 -1.26 -0.31 121.20 124.99 2i03 s ILE 407 Ca -0.05 1.18 0.17 0.00 0.00 0.00 0.00 60.65 61.95 2i03 s ILE 407 Cb -0.00 -3.95 -0.24 0.00 0.01 0.00 0.00 42.46 38.27 2i03 s ILE 407 CO 0.04 0.04 0.12 -0.62 0.00 0.00 0.00 174.94 174.51 2i03 n GLU 408 N 5.60 0.89 -3.43 2.79 -0.58 -0.17 -4.97 120.64 120.76 2i03 n GLU 408 Ca -0.00 -0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.58 2i03 n GLU 408 Cb 0.49 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.86 2i03 n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i03 s ALA 409 N -2.59 -1.63 -0.13 0.62 0.00 -1.18 -4.88 121.76 111.97 2i03 s ALA 409 Ca -0.09 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.41 2i03 s ALA 409 Cb 0.07 0.79 0.06 0.00 0.00 0.00 0.00 23.12 24.03 2i03 s ALA 409 CO 0.78 -0.74 0.27 -1.17 0.00 0.00 0.00 175.76 174.90 2i03 s LEU 410 N -2.63 -0.09 0.00 0.00 2.96 -1.26 -1.13 118.68 116.52 2i03 s LEU 410 Ca 0.01 0.60 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 2i03 s LEU 410 Cb -0.01 0.76 0.01 0.00 0.50 0.00 0.00 46.19 47.45 2i03 s LEU 410 CO -0.11 -0.22 0.06 0.35 -1.32 0.00 0.00 176.35 175.11 2i03 n THR 411 N 4.97 0.00 0.20 3.68 -2.24 0.16 -5.01 114.28 116.05 2i03 n THR 411 Ca -0.13 -1.06 0.09 0.00 -2.27 0.00 0.00 64.05 60.68 2i03 n THR 411 Cb 0.51 0.06 0.27 0.00 -2.10 0.00 0.00 70.33 69.06 2i03 n THR 411 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2i03 h SER 412 N 0.47 0.00 0.05 3.42 4.64 -2.01 -3.34 113.55 116.78 2i03 h SER 412 Ca -0.18 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.76 2i03 h SER 412 Cb 0.58 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.63 2i03 h SER 412 CO 0.30 0.24 -2.18 0.47 -0.87 0.00 0.00 176.83 174.78 2i03 n ASP 413 N -3.23 2.02 -4.26 4.97 8.00 -1.26 -4.91 116.55 117.88 2i03 n ASP 413 Ca 0.02 0.11 -0.17 0.00 0.71 0.00 0.00 54.79 55.46 2i03 n ASP 413 Cb 0.54 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 2i03 n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2i03 s TYR 414 N -2.52 1.53 -0.10 1.24 1.51 -1.25 -2.65 117.35 115.11 2i03 s TYR 414 Ca -0.30 -1.22 -0.00 0.00 -1.01 0.00 0.00 57.07 54.53 2i03 s TYR 414 Cb 0.09 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 41.08 2i03 s TYR 414 CO 0.65 -0.38 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.47 2i03 s LEU 415 N -3.32 1.13 -0.04 -1.29 1.98 -0.91 -0.66 118.68 115.57 2i03 s LEU 415 Ca 0.37 -0.26 -0.03 0.00 -2.89 0.00 0.00 54.13 51.32 2i03 s LEU 415 Cb 0.07 -0.75 -0.04 0.00 0.66 0.00 0.00 46.19 46.13 2i03 s LEU 415 CO 0.14 -0.11 0.14 -0.31 -1.89 0.00 0.00 176.35 174.31 2i03 s TYR 416 N 1.61 3.48 0.16 5.38 1.51 -0.29 -1.03 117.35 128.17 2i03 s TYR 416 Ca 0.02 0.36 -0.19 0.00 -1.01 0.00 0.00 57.07 56.26 2i03 s TYR 416 Cb -0.13 -1.84 0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2i03 s TYR 416 CO -0.06 0.64 0.51 1.52 -1.11 0.00 0.00 175.55 177.05 2i03 s TYR 417 N -1.19 -0.28 -0.03 2.71 -0.85 0.02 -1.00 117.35 116.73 2i03 s TYR 417 Ca 0.22 -0.01 0.01 0.00 -0.52 0.00 0.00 57.07 56.77 2i03 s TYR 417 Cb -0.12 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.59 2i03 s TYR 417 CO 0.13 -0.82 -0.02 0.42 -1.52 0.00 0.00 175.55 173.73 2i03 s ILE 418 N -3.81 4.00 0.28 -3.49 -1.09 0.58 0.04 121.20 117.71 2i03 s ILE 418 Ca 0.04 -0.56 -0.15 0.00 -2.23 0.00 0.00 60.65 57.75 2i03 s ILE 418 Cb -0.00 -2.73 0.01 0.00 -1.58 0.00 0.00 42.46 38.16 2i03 s ILE 418 CO -0.09 0.46 0.60 -0.94 -1.23 0.00 0.00 174.94 173.73 2i03 s SER 419 N -1.29 -0.06 -0.49 3.58 1.04 -0.95 0.84 113.70 116.36 2i03 s SER 419 Ca 0.17 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.74 2i03 s SER 419 Cb -0.11 0.68 0.44 0.00 0.10 0.00 0.00 66.02 67.12 2i03 s SER 419 CO 0.07 -1.29 1.51 -0.46 0.98 0.00 0.00 173.24 174.05 2i03 n ASN 420 N -0.61 5.99 -0.00 7.02 0.23 -0.92 -2.11 115.26 124.84 2i03 n ASN 420 Ca -0.03 -3.77 -0.12 0.00 -0.53 0.00 0.00 54.58 50.14 2i03 n ASN 420 Cb 0.61 -0.63 -0.09 0.00 -2.08 0.00 0.00 39.78 37.58 2i03 n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2i03 h GLU 421 N 2.30 -0.09 -6.01 -3.83 4.81 -1.86 -3.38 114.58 106.53 2i03 h GLU 421 Ca 0.45 0.01 -0.80 0.00 -0.13 0.00 0.00 59.36 58.88 2i03 h GLU 421 Cb 1.04 0.02 0.04 0.00 0.63 0.00 0.00 28.75 30.48 2i03 h GLU 421 CO 1.09 0.49 0.19 0.98 -0.73 0.00 0.00 179.01 181.04 2i03 n TYR 422 N -4.81 0.87 -0.90 0.92 9.36 -1.26 -0.33 117.16 121.01 2i03 n TYR 422 Ca -0.08 1.06 -0.02 0.00 3.32 0.00 0.00 57.90 62.18 2i03 n TYR 422 Cb 0.31 -2.12 -0.01 0.00 -0.63 0.00 0.00 39.34 36.88 2i03 n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2i03 n LYS 423 N 2.00 -1.92 -1.56 2.98 4.01 -1.26 -2.75 118.16 119.65 2i03 n LYS 423 Ca 0.22 0.48 -0.19 0.00 -0.51 0.00 0.00 58.31 58.31 2i03 n LYS 423 Cb 0.06 -4.65 -0.08 0.00 -0.51 0.00 0.00 35.03 29.85 2i03 n LYS 423 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2i03 n GLY 424 N 0.68 1.83 3.49 0.72 0.00 0.55 -4.95 105.19 107.51 2i03 n GLY 424 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2i03 n GLY 424 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2i03 s MET 425 N -3.63 3.23 0.64 1.61 0.23 -1.11 -4.95 119.30 115.32 2i03 s MET 425 Ca 0.00 -0.84 0.30 0.00 -1.03 0.00 0.00 55.69 54.13 2i03 s MET 425 Cb 0.00 -3.89 1.64 0.00 -1.53 0.00 0.00 34.83 31.05 2i03 s MET 425 CO 0.00 -0.60 1.95 -1.35 -2.03 0.00 0.00 175.02 173.00 2i03 h PRO 426 N 8.56 0.00 -0.38 3.16 0.11 -1.88 -1.92 132.00 139.65 2i03 h PRO 426 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2i03 h PRO 426 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2i03 h PRO 426 CO 0.68 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 2i03 n GLY 427 N -1.29 0.86 3.66 -0.55 0.00 -1.26 -4.88 105.19 101.72 2i03 n GLY 427 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 2i03 n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i03 s GLY 428 N -1.09 1.67 -0.03 -0.02 0.00 -0.72 -2.10 107.32 105.03 2i03 s GLY 428 Ca 0.28 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.53 2i03 s GLY 428 CO 0.20 -1.53 -0.05 0.50 0.00 0.00 0.00 173.10 172.22 2i03 s ARG 429 N -3.30 0.73 0.02 2.90 1.81 -0.05 -4.12 118.95 116.95 2i03 s ARG 429 Ca 0.29 -0.15 -0.03 0.00 -1.72 0.00 0.00 55.73 54.12 2i03 s ARG 429 Cb -0.08 -0.73 -0.01 0.00 -0.45 0.00 0.00 34.95 33.68 2i03 s ARG 429 CO 0.19 -0.00 0.04 -0.80 -0.68 0.00 0.00 175.30 174.05 2i03 s ASN 430 N 0.54 0.18 0.05 0.23 0.01 -0.90 -0.86 114.94 114.19 2i03 s ASN 430 Ca -0.07 -0.45 -0.21 0.00 -0.71 0.00 0.00 52.86 51.43 2i03 s ASN 430 Cb -0.11 0.15 -0.06 0.00 0.41 0.00 0.00 41.25 41.65 2i03 s ASN 430 CO 0.00 -0.37 0.60 -0.22 -1.51 0.00 0.00 177.10 175.61 2i03 s LEU 431 N -1.62 4.49 0.09 0.60 2.96 -1.26 -2.24 118.68 121.70 2i03 s LEU 431 Ca -0.13 1.26 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 2i03 s LEU 431 Cb -0.07 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 2i03 s LEU 431 CO -0.01 0.19 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.82 2i03 s TYR 432 N -0.70 0.90 -0.04 5.38 1.51 0.11 -0.91 117.35 123.60 2i03 s TYR 432 Ca 0.31 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 2i03 s TYR 432 Cb -0.19 -0.51 0.01 0.00 -0.11 0.00 0.00 41.96 41.16 2i03 s TYR 432 CO 0.19 -0.12 -0.07 -1.59 -1.11 0.00 0.00 175.55 172.85 2i03 s LYS 433 N -3.46 0.99 -0.04 -0.62 -2.85 -0.09 -0.80 119.74 112.87 2i03 s LYS 433 Ca 0.09 -0.22 0.06 0.00 -1.00 0.00 0.00 55.97 54.89 2i03 s LYS 433 Cb 0.03 -0.92 -0.02 0.00 -2.06 0.00 0.00 37.83 34.85 2i03 s LYS 433 CO -0.03 0.01 -0.21 -1.50 0.10 0.00 0.00 175.35 173.72 2i03 s ILE 434 N 0.59 2.49 -0.10 3.79 2.07 -0.20 -0.36 121.20 129.47 2i03 s ILE 434 Ca -0.09 -0.93 -0.30 0.00 -1.41 0.00 0.00 60.65 57.92 2i03 s ILE 434 Cb -0.12 -1.93 -0.02 0.00 0.13 0.00 0.00 42.46 40.52 2i03 s ILE 434 CO 0.01 0.58 1.09 -1.58 -1.91 0.00 0.00 174.94 173.13 2i03 s GLN 435 N -0.53 4.37 0.43 3.50 0.74 -0.80 -2.14 119.66 125.23 2i03 s GLN 435 Ca 0.07 1.50 0.17 0.00 0.05 0.00 0.00 55.36 57.15 2i03 s GLN 435 Cb -0.11 -3.57 0.97 0.00 1.10 0.00 0.00 33.01 31.40 2i03 s GLN 435 CO 0.01 -0.41 1.93 -0.07 -0.55 0.00 0.00 175.29 176.20 2i03 h LEU 436 N 8.31 0.00 -0.45 3.68 4.07 -1.85 -2.55 115.31 126.51 2i03 h LEU 436 Ca -0.31 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.48 2i03 h LEU 436 Cb 1.14 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.86 2i03 h LEU 436 CO 0.88 0.25 -0.77 0.28 -1.08 0.00 0.00 178.44 178.00 2i03 h SER 437 N 0.00 0.14 -2.30 -0.43 0.02 -1.92 -3.42 113.55 105.65 2i03 h SER 437 Ca -0.00 -0.10 -0.37 0.00 -0.84 0.00 0.00 61.79 60.47 2i03 h SER 437 Cb 0.48 -0.04 -0.35 0.00 0.14 0.00 0.00 62.40 62.63 2i03 h SER 437 CO 0.03 0.85 -0.67 -0.62 -1.14 0.00 0.00 176.83 175.29 2i03 s ASP 438 N -6.87 2.07 0.46 3.07 -1.08 -0.97 -4.99 116.67 108.36 2i03 s ASP 438 Ca -0.02 -0.85 0.29 0.00 -0.52 0.00 0.00 52.55 51.45 2i03 s ASP 438 Cb 0.11 0.32 1.57 0.00 -1.46 0.00 0.00 42.92 43.46 2i03 s ASP 438 CO 0.80 -0.40 1.87 1.88 0.52 0.00 0.00 175.17 179.85 2i03 h TYR 439 N 8.30 0.00 0.00 -5.34 0.05 -1.80 0.20 116.97 118.37 2i03 h TYR 439 Ca -0.15 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 2i03 h TYR 439 Cb 1.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2i03 h TYR 439 CO 0.28 0.00 -0.22 1.15 -1.05 0.00 0.00 178.16 178.31 2i03 h THR 440 N 0.00 0.75 -3.52 -2.88 2.02 -1.90 -3.38 112.91 104.00 2i03 h THR 440 Ca 0.00 -0.92 -0.78 0.00 0.77 0.00 0.00 66.41 65.48 2i03 h THR 440 Cb 0.11 1.57 -0.25 0.00 -1.74 0.00 0.00 68.15 67.84 2i03 h THR 440 CO 0.00 0.22 0.34 -0.54 0.37 0.00 0.00 175.52 175.91 2i03 s LYS 441 N -4.03 3.81 -0.12 6.66 1.02 0.06 -5.01 119.74 122.14 2i03 s LYS 441 Ca -0.02 -2.62 0.00 0.00 0.02 0.00 0.00 55.97 53.36 2i03 s LYS 441 Cb 0.13 -4.55 -0.02 0.00 -0.52 0.00 0.00 37.83 32.87 2i03 s LYS 441 CO 0.64 -1.35 -0.13 0.54 -0.92 0.00 0.00 175.35 174.13 2i03 s VAL 442 N 0.08 3.12 -0.05 3.17 0.11 -1.26 -1.91 120.40 123.66 2i03 s VAL 442 Ca 0.24 -0.65 0.05 0.00 -2.93 0.00 0.00 61.98 58.69 2i03 s VAL 442 Cb -0.09 -2.30 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 2i03 s VAL 442 CO -0.08 0.54 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.15 2i03 s THR 443 N 0.12 2.69 -0.21 5.04 2.01 0.51 -4.95 115.64 120.84 2i03 s THR 443 Ca -0.06 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 60.90 2i03 s THR 443 Cb -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2i03 s THR 443 CO 0.05 0.58 0.50 0.00 -0.69 0.00 0.00 174.62 175.06 2i03 n LEU 445 N 4.89 1.59 0.00 0.00 4.77 -0.08 -4.56 117.00 123.61 2i03 n LEU 445 Ca -0.05 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2i03 n LEU 445 Cb 0.50 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2i03 n LEU 445 CO 0.41 0.30 -0.31 -1.54 -1.33 0.00 0.00 177.39 174.92 2i03 n SER 446 N -0.35 3.13 -0.20 -1.43 3.41 -1.23 -4.83 113.62 112.12 2i03 n SER 446 Ca 0.10 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2i03 n SER 446 Cb 0.42 0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 64.76 2i03 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i03 n GLU 448 N -4.23 1.29 -0.29 0.00 4.71 -1.26 -4.03 120.64 116.83 2i03 n GLU 448 Ca 0.01 -0.80 0.20 0.00 -0.01 0.00 0.00 57.16 56.56 2i03 n GLU 448 Cb 0.12 -1.48 0.49 0.00 -1.01 0.00 0.00 31.44 29.55 2i03 n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2i03 h LEU 449 N 1.94 0.47 -5.00 -4.62 3.38 -1.74 -3.36 115.31 106.38 2i03 h LEU 449 Ca 0.00 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2i03 h LEU 449 Cb 0.54 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.14 2i03 h LEU 449 CO 0.00 0.15 -0.09 -3.20 0.09 0.00 0.00 178.44 175.39 2i03 n ASN 450 N -4.58 -1.45 0.07 -0.43 2.85 -1.26 -5.05 115.26 105.41 2i03 n ASN 450 Ca 0.22 -1.67 0.21 0.00 -0.11 0.00 0.00 54.58 53.23 2i03 n ASN 450 Cb 0.76 0.79 0.71 0.00 1.24 0.00 0.00 39.78 43.28 2i03 n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2i03 h PRO 451 N 3.47 0.00 0.13 1.20 0.13 -1.72 0.33 132.00 135.53 2i03 h PRO 451 Ca -0.17 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.73 2i03 h PRO 451 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 2i03 h PRO 451 CO -0.14 0.00 -0.98 0.93 -0.23 0.00 0.00 178.00 177.57 2i03 h GLU 452 N 0.00 0.44 0.00 0.86 4.39 -1.96 -3.38 114.58 114.93 2i03 h GLU 452 Ca 0.22 -0.64 -0.29 0.00 0.34 0.00 0.00 59.36 58.98 2i03 h GLU 452 Cb 1.30 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 30.13 2i03 h GLU 452 CO -0.00 1.28 -1.89 -2.13 -1.16 0.00 0.00 179.01 175.11 2i03 n ARG 453 N -4.00 0.65 -4.04 2.33 0.63 -0.84 -4.61 116.66 106.78 2i03 n ARG 453 Ca -0.14 0.18 -0.31 0.00 -0.92 0.00 0.00 57.85 56.66 2i03 n ARG 453 Cb 0.88 -1.71 -0.16 0.00 0.45 0.00 0.00 32.46 31.93 2i03 n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i03 n GLN 455 N 4.62 0.21 -3.60 0.00 6.02 0.13 -4.39 117.38 120.37 2i03 n GLN 455 Ca -0.16 -0.41 -0.29 0.00 -0.01 0.00 0.00 57.00 56.13 2i03 n GLN 455 Cb 0.47 -0.59 -0.15 0.00 1.02 0.00 0.00 30.24 30.99 2i03 n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2i03 s TYR 456 N -0.10 0.64 0.25 1.08 6.14 -1.17 -0.87 117.35 123.32 2i03 s TYR 456 Ca 0.00 -0.97 0.10 0.00 0.64 0.00 0.00 57.07 56.84 2i03 s TYR 456 Cb 0.00 -1.05 -0.04 0.00 0.42 0.00 0.00 41.96 41.29 2i03 s TYR 456 CO 0.00 -0.78 -0.07 0.71 0.64 0.00 0.00 175.55 176.05 2i03 s TYR 457 N 1.99 2.60 0.05 4.97 1.51 -0.04 -1.32 117.35 127.11 2i03 s TYR 457 Ca 0.07 -0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 2i03 s TYR 457 Cb -0.16 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 2i03 s TYR 457 CO -0.29 0.61 0.05 -1.54 -1.11 0.00 0.00 175.55 173.27 2i03 s SER 458 N -3.41 0.30 0.05 2.29 1.04 -0.94 -4.60 113.70 108.43 2i03 s SER 458 Ca 0.29 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 2i03 s SER 458 Cb -0.07 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 2i03 s SER 458 CO 0.18 -0.57 -0.04 0.54 0.98 0.00 0.00 173.24 174.33 2i03 s VAL 459 N -3.26 0.26 -0.28 5.02 0.11 -1.26 -0.94 120.40 120.05 2i03 s VAL 459 Ca 0.01 -1.51 -0.03 0.00 -2.93 0.00 0.00 61.98 57.52 2i03 s VAL 459 Cb 0.03 -1.10 0.09 0.00 -1.53 0.00 0.00 36.38 33.87 2i03 s VAL 459 CO -0.08 -0.80 0.11 -0.55 -3.33 0.00 0.00 175.10 170.46 2i03 s SER 460 N -2.41 3.53 0.46 3.54 0.15 -0.52 -4.97 113.70 113.49 2i03 s SER 460 Ca -0.00 -1.29 -0.18 0.00 0.70 0.00 0.00 55.95 55.17 2i03 s SER 460 Cb 0.01 -0.52 -0.09 0.00 -1.71 0.00 0.00 66.02 63.71 2i03 s SER 460 CO -0.06 -0.41 0.94 -0.36 1.20 0.00 0.00 173.24 174.55 2i03 s PHE 461 N 1.94 3.39 0.92 3.44 0.40 -1.26 -1.66 117.98 125.14 2i03 s PHE 461 Ca 0.08 1.48 -0.14 0.00 -0.60 0.00 0.00 56.93 57.75 2i03 s PHE 461 Cb -0.16 -2.78 0.15 0.00 0.51 0.00 0.00 43.02 40.74 2i03 s PHE 461 CO -0.28 -0.22 1.20 -1.54 0.70 0.00 0.00 175.22 175.07 2i03 s SER 462 N -2.67 3.47 0.25 1.36 1.04 0.25 -4.86 113.70 112.54 2i03 s SER 462 Ca 0.59 0.70 -0.11 0.00 0.48 0.00 0.00 55.95 57.61 2i03 s SER 462 Cb -0.10 -1.08 0.37 0.00 0.10 0.00 0.00 66.02 65.31 2i03 s SER 462 CO 0.23 -2.55 1.58 0.11 0.98 0.00 0.00 173.24 173.59 2i03 h LYS 463 N -1.50 -0.01 -0.51 4.02 1.79 -1.57 0.12 116.57 118.91 2i03 h LYS 463 Ca -0.47 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 57.77 2i03 h LYS 463 Cb 1.30 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.82 2i03 h LYS 463 CO 0.54 -0.00 0.12 0.39 -1.08 0.00 0.00 179.45 179.42 2i03 n GLU 464 N -5.55 2.27 -2.60 3.15 -0.58 -1.26 -4.94 120.64 111.13 2i03 n GLU 464 Ca 0.13 -3.09 -0.17 0.00 -0.42 0.00 0.00 57.16 53.61 2i03 n GLU 464 Cb 0.44 -1.94 -0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2i03 n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i03 n ALA 465 N -0.95 -0.79 0.12 0.62 0.00 0.03 -4.84 120.51 114.70 2i03 n ALA 465 Ca 0.38 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 2i03 n ALA 465 Cb 1.18 -2.10 0.04 0.00 0.00 0.00 0.00 19.45 18.57 2i03 n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2i03 h LYS 466 N -0.27 0.00 -4.57 0.00 3.64 -1.80 -3.41 116.57 110.16 2i03 h LYS 466 Ca -0.39 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.78 2i03 h LYS 466 Cb 1.28 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.95 2i03 h LYS 466 CO 0.45 0.67 -0.67 0.71 -2.27 0.00 0.00 179.45 178.35 2i03 s TYR 467 N -3.03 0.92 -0.03 1.91 2.02 -1.26 -0.93 117.35 116.95 2i03 s TYR 467 Ca 0.02 -1.06 -0.26 0.00 -0.37 0.00 0.00 57.07 55.40 2i03 s TYR 467 Cb 0.09 -0.54 0.06 0.00 -0.40 0.00 0.00 41.96 41.17 2i03 s TYR 467 CO 0.76 -0.30 0.58 1.52 -1.57 0.00 0.00 175.55 176.54 2i03 s TYR 468 N -3.79 -0.53 -0.15 2.71 1.13 -0.61 -0.59 117.35 115.52 2i03 s TYR 468 Ca 0.18 0.85 -0.03 0.00 -1.41 0.00 0.00 57.07 56.67 2i03 s TYR 468 Cb 0.07 0.34 -0.02 0.00 -1.10 0.00 0.00 41.96 41.24 2i03 s TYR 468 CO -0.01 -0.57 -0.07 -1.14 -2.51 0.00 0.00 175.55 171.25 2i03 s GLN 469 N -1.42 3.57 -0.10 -3.49 0.74 -0.67 -0.84 119.66 117.45 2i03 s GLN 469 Ca -0.11 -0.58 -0.09 0.00 0.05 0.00 0.00 55.36 54.64 2i03 s GLN 469 Cb -0.01 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 2i03 s GLN 469 CO 0.07 0.21 0.20 -0.51 -0.55 0.00 0.00 175.29 174.70 2i03 s LEU 470 N 0.43 4.40 -0.33 3.68 1.43 -0.50 -1.43 118.68 126.36 2i03 s LEU 470 Ca -0.06 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2i03 s LEU 470 Cb -0.15 -2.18 0.10 0.00 0.03 0.00 0.00 46.19 43.99 2i03 s LEU 470 CO 0.04 0.38 0.07 -0.13 0.23 0.00 0.00 176.35 176.94 2i03 s ARG 471 N -1.00 1.17 -0.15 1.70 0.52 -0.12 -2.14 118.95 118.94 2i03 s ARG 471 Ca 0.17 -1.56 -0.27 0.00 -0.52 0.00 0.00 55.73 53.55 2i03 s ARG 471 Cb -0.13 -2.70 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 2i03 s ARG 471 CO 0.06 -0.96 0.88 0.00 0.02 0.00 0.00 175.30 175.30 2i03 n SER 473 N 5.12 2.58 0.00 0.00 3.41 -0.43 -1.34 113.62 122.95 2i03 n SER 473 Ca 0.06 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 2i03 n SER 473 Cb 0.49 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2i03 n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i03 n GLY 474 N -0.76 0.86 0.05 5.00 0.00 -1.26 -1.01 105.19 108.08 2i03 n GLY 474 Ca 0.12 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 45.04 2i03 n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i03 n PRO 475 N -1.03 0.11 -1.04 1.61 -0.04 -0.68 -0.69 135.00 133.24 2i03 n PRO 475 Ca 0.00 0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 2i03 n PRO 475 Cb 0.00 -1.66 0.06 0.00 -0.04 0.00 0.00 33.50 31.87 2i03 n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i03 n GLY 476 N 0.92 -0.32 3.75 0.55 0.00 -0.52 -4.53 105.19 105.03 2i03 n GLY 476 Ca 0.05 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 2i03 n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i03 s LEU 477 N 0.00 3.81 0.26 0.99 1.43 -1.26 -4.65 118.68 119.26 2i03 s LEU 477 Ca 0.28 2.71 -0.31 0.00 -1.03 0.00 0.00 54.13 55.78 2i03 s LEU 477 Cb -0.01 -4.34 -0.13 0.00 0.03 0.00 0.00 46.19 41.74 2i03 s LEU 477 CO 0.19 -1.62 1.48 -2.65 0.23 0.00 0.00 176.35 173.98 2i03 n PRO 478 N -1.17 2.31 -4.13 1.29 -0.02 -1.26 -4.68 135.00 127.34 2i03 n PRO 478 Ca 0.11 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 62.18 2i03 n PRO 478 Cb 0.46 -2.53 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 2i03 n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2i03 s LEU 479 N -0.17 1.25 -0.17 2.45 2.96 -0.45 -4.26 118.68 120.29 2i03 s LEU 479 Ca 0.66 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 2i03 s LEU 479 Cb -0.58 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 2i03 s LEU 479 CO 0.50 -0.07 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.07 2i03 s TYR 480 N 1.27 2.93 0.19 5.38 1.51 -0.06 -1.51 117.35 127.05 2i03 s TYR 480 Ca -0.04 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.42 2i03 s TYR 480 Cb -0.14 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 2i03 s TYR 480 CO -0.02 -0.27 -0.04 0.95 -1.11 0.00 0.00 175.55 175.05 2i03 s THR 481 N 0.76 1.02 0.05 -0.71 -4.23 -0.91 0.54 115.64 112.16 2i03 s THR 481 Ca -0.03 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 58.51 2i03 s THR 481 Cb -0.15 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2i03 s THR 481 CO 0.02 -0.51 -0.15 -0.76 -0.54 0.00 0.00 174.62 172.68 2i03 s LEU 482 N -3.23 2.78 0.06 4.79 1.43 -0.31 -1.41 118.68 122.78 2i03 s LEU 482 Ca 0.23 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2i03 s LEU 482 Cb 0.05 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2i03 s LEU 482 CO 0.05 0.24 0.08 -1.00 0.23 0.00 0.00 176.35 175.95 2i03 s HIS 483 N -1.00 0.31 -0.15 0.29 3.76 -0.02 -0.48 115.29 118.00 2i03 s HIS 483 Ca 0.16 -0.75 -0.02 0.00 -0.15 0.00 0.00 55.06 54.30 2i03 s HIS 483 Cb -0.11 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.36 2i03 s HIS 483 CO 0.07 -0.43 -0.09 -1.54 -0.85 0.00 0.00 174.74 171.90 2i03 s SER 484 N -2.68 4.29 0.35 1.40 1.04 -0.80 -1.58 113.70 115.72 2i03 s SER 484 Ca 0.03 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.22 2i03 s SER 484 Cb 0.04 -1.68 0.66 0.00 0.10 0.00 0.00 66.02 65.14 2i03 s SER 484 CO -0.09 0.14 1.98 0.28 0.98 0.00 0.00 173.24 176.54 2i03 h SER 485 N 6.89 0.72 -0.71 7.02 0.02 -1.28 0.54 113.55 126.76 2i03 h SER 485 Ca -0.29 -0.01 0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2i03 h SER 485 Cb 1.20 -0.17 -0.11 0.00 0.14 0.00 0.00 62.40 63.46 2i03 h SER 485 CO 0.59 0.50 0.11 1.62 -1.14 0.00 0.00 176.83 178.50 2i03 h VAL 486 N 0.84 0.48 0.00 2.27 3.04 -1.90 -3.17 116.25 117.82 2i03 h VAL 486 Ca 0.27 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 2i03 h VAL 486 Cb 0.05 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.59 2i03 h VAL 486 CO -0.08 0.04 -0.22 0.59 -1.01 0.00 0.00 177.57 176.89 2i03 n ASN 487 N -5.22 0.68 -1.31 3.17 5.03 -1.19 -4.99 115.26 111.43 2i03 n ASN 487 Ca 0.13 -0.47 -0.11 0.00 0.87 0.00 0.00 54.58 54.99 2i03 n ASN 487 Cb 0.44 1.01 -0.00 0.00 -1.02 0.00 0.00 39.78 40.20 2i03 n ASN 487 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2i03 n ASP 488 N -1.11 -3.71 -4.76 6.41 10.43 0.19 -4.98 116.55 119.02 2i03 n ASP 488 Ca 0.00 -0.01 -0.40 0.00 2.57 0.00 0.00 54.79 56.95 2i03 n ASP 488 Cb 0.03 -2.93 -0.06 0.00 1.84 0.00 0.00 41.12 40.01 2i03 n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2i03 s LYS 489 N -4.58 4.65 -0.13 -1.24 1.02 -1.15 -4.80 119.74 113.50 2i03 s LYS 489 Ca 0.00 1.27 -0.29 0.00 0.02 0.00 0.00 55.97 56.97 2i03 s LYS 489 Cb -0.00 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2i03 s LYS 489 CO 0.00 0.46 1.13 0.20 -0.92 0.00 0.00 175.35 176.22 2i03 s GLY 490 N -0.80 1.97 0.01 -3.33 0.00 -1.26 -1.90 107.32 102.01 2i03 s GLY 490 Ca 0.39 0.43 -0.09 0.00 0.00 0.00 0.00 44.72 45.45 2i03 s GLY 490 CO 0.28 2.20 0.88 1.41 0.00 0.00 0.00 173.10 177.87 2i03 h LEU 491 N 8.78 0.58 0.00 0.66 3.38 -1.13 -3.48 115.31 124.10 2i03 h LEU 491 Ca -0.28 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 56.95 2i03 h LEU 491 Cb 1.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2i03 h LEU 491 CO 0.92 1.60 0.00 -2.11 0.09 0.00 0.00 178.44 178.94 2i03 n ARG 492 N -3.57 0.00 -3.29 1.13 1.85 -1.23 -5.01 116.66 106.53 2i03 n ARG 492 Ca -0.18 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.29 2i03 n ARG 492 Cb 1.07 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.41 2i03 n ARG 492 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2i03 s VAL 493 N -2.00 5.14 -0.05 8.89 1.01 -1.26 -1.16 120.40 130.97 2i03 s VAL 493 Ca 0.00 0.90 -0.17 0.00 0.00 0.00 0.00 61.98 62.71 2i03 s VAL 493 Cb 0.00 -3.81 -0.31 0.00 0.00 0.00 0.00 36.38 32.26 2i03 s VAL 493 CO 0.00 0.22 0.78 -0.07 0.00 0.00 0.00 175.10 176.03 2i03 h LEU 494 N 7.67 0.56 -7.02 3.92 3.38 -0.24 -3.48 115.31 120.10 2i03 h LEU 494 Ca -0.35 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 56.69 2i03 h LEU 494 Cb 1.16 -0.18 -0.21 0.00 0.09 0.00 0.00 40.66 41.51 2i03 h LEU 494 CO 0.74 1.60 0.03 -0.70 0.09 0.00 0.00 178.44 180.19 2i03 s GLU 495 N -2.51 0.72 0.00 1.13 2.56 -0.94 -4.99 118.70 114.68 2i03 s GLU 495 Ca -0.15 1.12 0.00 0.00 0.00 0.00 0.00 54.97 55.94 2i03 s GLU 495 Cb 0.03 0.21 0.00 0.00 2.00 0.00 0.00 34.13 36.37 2i03 s GLU 495 CO 0.84 -0.13 0.63 -0.40 -0.56 0.00 0.00 175.26 175.64 2i03 n ASP 496 N 3.80 1.22 -3.44 -1.70 5.68 -1.26 -0.89 116.55 119.96 2i03 n ASP 496 Ca -0.18 -1.34 -0.25 0.00 -0.50 0.00 0.00 54.79 52.51 2i03 n ASP 496 Cb 0.58 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.59 2i03 n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2i03 n ASN 497 N -0.17 -5.24 -0.30 -1.12 3.02 -1.26 -4.85 115.26 105.35 2i03 n ASN 497 Ca 0.00 -0.49 -0.03 0.00 -0.03 0.00 0.00 54.58 54.03 2i03 n ASN 497 Cb 0.13 -4.21 0.13 0.00 -0.61 0.00 0.00 39.78 35.22 2i03 n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2i03 h SER 498 N -1.69 1.05 -0.09 6.41 4.64 -1.95 -1.25 113.55 120.67 2i03 h SER 498 Ca -0.53 -0.09 0.02 0.00 -0.47 0.00 0.00 61.79 60.73 2i03 h SER 498 Cb 1.35 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2i03 h SER 498 CO 0.59 0.84 -0.02 0.00 -0.87 0.00 0.00 176.83 177.36 2i03 h ALA 499 N 1.33 0.06 -0.05 5.18 0.00 -2.00 -1.01 119.26 122.77 2i03 h ALA 499 Ca 0.30 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2i03 h ALA 499 Cb 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2i03 h ALA 499 CO -0.05 -0.49 -0.20 1.25 0.00 0.00 0.00 179.25 179.76 2i03 h LEU 500 N -0.00 0.07 -0.73 0.00 5.85 -1.80 -2.40 115.31 116.30 2i03 h LEU 500 Ca 0.05 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2i03 h LEU 500 Cb 0.07 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2i03 h LEU 500 CO -0.10 0.29 0.07 -0.78 -0.34 0.00 0.00 178.44 177.58 2i03 h ASP 501 N 0.07 1.00 -0.56 1.25 3.58 -0.24 -1.99 116.42 119.53 2i03 h ASP 501 Ca 0.01 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 2i03 h ASP 501 Cb 0.41 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2i03 h ASP 501 CO 0.03 1.01 0.19 0.11 -2.88 0.00 0.00 179.24 177.70 2i03 h LYS 502 N 0.97 0.87 0.29 0.28 1.79 -0.71 -3.06 116.57 116.99 2i03 h LYS 502 Ca 0.19 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2i03 h LYS 502 Cb 0.46 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2i03 h LYS 502 CO 0.02 0.77 -0.14 0.52 -1.08 0.00 0.00 179.45 179.54 2i03 h MET 503 N 0.79 -0.37 0.00 3.15 2.86 -1.32 -3.14 114.93 116.90 2i03 h MET 503 Ca 0.18 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2i03 h MET 503 Cb 0.26 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2i03 h MET 503 CO -0.01 -0.12 0.12 1.28 1.06 0.00 0.00 176.91 179.25 2i03 n LEU 504 N -5.17 0.34 0.22 1.22 4.77 -0.76 -1.18 117.00 116.44 2i03 n LEU 504 Ca -0.10 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 2i03 n LEU 504 Cb 0.23 -0.61 0.24 0.00 -2.33 0.00 0.00 43.42 40.94 2i03 n LEU 504 CO 0.33 -0.72 0.81 0.06 -1.33 0.00 0.00 177.39 176.54 2i03 h GLN 505 N 0.00 0.00 -0.83 3.23 3.07 -1.48 -3.09 115.11 116.01 2i03 h GLN 505 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.51 2i03 h GLN 505 Cb 0.25 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 27.67 2i03 h GLN 505 CO 0.00 0.05 0.29 0.09 0.09 0.00 0.00 178.83 179.34 2i03 n ASN 506 N -3.12 4.28 -3.80 0.06 3.02 -0.33 -4.88 115.26 110.49 2i03 n ASN 506 Ca 0.03 -3.08 -0.12 0.00 -0.03 0.00 0.00 54.58 51.38 2i03 n ASN 506 Cb 0.51 -0.72 -0.12 0.00 -0.61 0.00 0.00 39.78 38.84 2i03 n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i03 s VAL 507 N -2.62 0.01 -0.99 2.41 0.11 -1.17 -3.82 120.40 114.33 2i03 s VAL 507 Ca 0.47 -0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 59.19 2i03 s VAL 507 Cb 0.38 -0.33 0.03 0.00 -1.53 0.00 0.00 36.38 34.92 2i03 s VAL 507 CO 0.11 -0.05 1.56 -1.10 -3.33 0.00 0.00 175.10 172.30 2i03 s GLN 508 N -0.10 3.34 0.53 1.54 -0.21 0.12 -4.96 119.66 119.92 2i03 s GLN 508 Ca -0.02 -0.91 -0.14 0.00 0.02 0.00 0.00 55.36 54.31 2i03 s GLN 508 Cb -0.02 -5.27 -0.06 0.00 1.00 0.00 0.00 33.01 28.65 2i03 s GLN 508 CO 0.01 -2.48 0.96 -1.64 -2.12 0.00 0.00 175.29 170.02 2i03 s MET 509 N 5.47 3.82 0.65 2.91 -1.94 -1.26 -4.30 119.30 124.64 2i03 s MET 509 Ca 0.52 0.81 -0.06 0.00 -1.71 0.00 0.00 55.69 55.24 2i03 s MET 509 Cb -0.02 -2.16 0.04 0.00 2.01 0.00 0.00 34.83 34.70 2i03 s MET 509 CO -0.07 -0.32 0.96 -1.25 -0.01 0.00 0.00 175.02 174.32 2i03 s PRO 510 N -4.37 2.55 0.30 2.03 0.04 -1.26 -4.14 135.00 130.15 2i03 s PRO 510 Ca 0.56 -0.14 0.09 0.00 0.04 0.00 0.00 61.00 61.55 2i03 s PRO 510 Cb -0.10 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2i03 s PRO 510 CO 0.38 -0.97 0.08 -1.54 0.04 0.00 0.00 177.00 174.98 2i03 s SER 511 N -4.41 4.68 -0.14 6.66 1.04 0.12 -4.88 113.70 116.77 2i03 s SER 511 Ca 0.57 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 56.34 2i03 s SER 511 Cb -0.11 -0.84 0.02 0.00 0.10 0.00 0.00 66.02 65.19 2i03 s SER 511 CO 0.45 -0.14 -0.18 -0.75 0.98 0.00 0.00 173.24 173.61 2i03 s LYS 512 N -3.76 2.58 -0.26 4.02 2.20 -1.26 0.13 119.74 123.39 2i03 s LYS 512 Ca 0.34 -0.69 -0.07 0.00 -0.36 0.00 0.00 55.97 55.19 2i03 s LYS 512 Cb -0.05 -2.19 -0.02 0.00 -1.51 0.00 0.00 37.83 34.06 2i03 s LYS 512 CO 0.21 -0.10 0.07 0.21 -0.36 0.00 0.00 175.35 175.38 2i03 s LYS 513 N 1.08 3.56 -0.23 4.03 2.20 -0.59 -4.94 119.74 124.85 2i03 s LYS 513 Ca -0.03 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 54.99 2i03 s LYS 513 Cb -0.14 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 2i03 s LYS 513 CO -0.05 -0.23 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.52 2i03 s LEU 514 N 1.59 3.03 0.00 5.43 0.20 -1.26 -1.18 118.68 126.50 2i03 s LEU 514 Ca 0.06 -0.34 -0.05 0.00 0.69 0.00 0.00 54.13 54.49 2i03 s LEU 514 Cb -0.15 -1.78 0.02 0.00 -0.43 0.00 0.00 46.19 43.84 2i03 s LEU 514 CO 0.03 -0.02 0.31 -0.67 -0.29 0.00 0.00 176.35 175.72 2i03 n ASP 515 N 4.81 -0.91 -3.87 3.68 4.64 -0.80 -5.02 116.55 119.08 2i03 n ASP 515 Ca -0.18 -1.75 -0.16 0.00 -1.38 0.00 0.00 54.79 51.33 2i03 n ASP 515 Cb 0.51 1.55 -0.09 0.00 -1.04 0.00 0.00 41.12 42.05 2i03 n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 2i03 s PHE 516 N -5.45 1.47 0.29 -0.67 -0.71 -1.26 -0.45 117.98 111.19 2i03 s PHE 516 Ca 0.09 -1.47 0.02 0.00 -1.04 0.00 0.00 56.93 54.53 2i03 s PHE 516 Cb -0.02 -0.68 -0.04 0.00 -1.21 0.00 0.00 43.02 41.07 2i03 s PHE 516 CO 0.06 -0.69 0.13 0.96 -1.34 0.00 0.00 175.22 174.35 2i03 s ILE 517 N -3.79 0.41 -0.12 -4.49 -4.36 -0.03 -4.95 121.20 103.86 2i03 s ILE 517 Ca 0.39 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 2i03 s ILE 517 Cb 0.05 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.23 2i03 s ILE 517 CO 0.19 0.00 -0.13 -0.63 0.24 0.00 0.00 174.94 174.60 2i03 s ILE 518 N -3.66 1.42 -0.17 8.37 1.01 -1.26 -0.42 121.20 126.48 2i03 s ILE 518 Ca 0.36 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2i03 s ILE 518 Cb 0.06 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.20 2i03 s ILE 518 CO 0.16 0.43 -0.16 -0.76 0.00 0.00 0.00 174.94 174.61 2i03 s LEU 519 N 1.29 2.40 -0.31 2.97 1.43 0.63 -4.86 118.68 122.22 2i03 s LEU 519 Ca -0.01 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 2i03 s LEU 519 Cb -0.14 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.55 2i03 s LEU 519 CO -0.06 0.05 0.32 0.59 0.23 0.00 0.00 176.35 177.47 2i03 n ASN 520 N 4.32 -2.56 0.00 2.29 3.02 -1.26 -1.48 115.26 119.59 2i03 n ASN 520 Ca -0.20 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2i03 n ASN 520 Cb 0.51 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 2i03 n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2i03 n GLU 521 N -0.80 0.00 -2.95 3.52 -0.58 -1.26 -4.96 120.64 113.62 2i03 n GLU 521 Ca -0.10 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.27 2i03 n GLU 521 Cb 0.35 -0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.15 2i03 n GLU 521 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2i03 s THR 522 N 0.00 4.40 -0.13 2.62 2.01 -0.55 -5.06 115.64 118.93 2i03 s THR 522 Ca 0.00 1.54 -0.06 0.00 0.31 0.00 0.00 61.69 63.48 2i03 s THR 522 Cb 0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2i03 s THR 522 CO 0.00 0.19 0.10 -1.59 -0.69 0.00 0.00 174.62 172.63 2i03 s LYS 523 N -1.99 3.49 -0.08 4.92 -2.85 -1.26 -0.27 119.74 121.70 2i03 s LYS 523 Ca 0.46 -0.22 0.04 0.00 -1.00 0.00 0.00 55.97 55.25 2i03 s LYS 523 Cb -0.18 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.46 2i03 s LYS 523 CO 0.22 0.65 -0.20 -0.06 0.10 0.00 0.00 175.35 176.07 2i03 s PHE 524 N -0.69 2.14 0.47 1.78 0.40 0.43 -4.94 117.98 117.58 2i03 s PHE 524 Ca 0.12 -0.81 -0.08 0.00 -0.60 0.00 0.00 56.93 55.56 2i03 s PHE 524 Cb -0.12 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 2i03 s PHE 524 CO 0.03 -0.33 0.82 -1.58 0.70 0.00 0.00 175.22 174.85 2i03 s TRP 525 N 0.35 3.53 0.18 0.36 0.52 -1.26 -0.85 118.94 121.78 2i03 s TRP 525 Ca -0.15 0.99 -0.17 0.00 0.02 0.00 0.00 56.10 56.79 2i03 s TRP 525 Cb -0.16 -2.43 0.03 0.00 -1.15 0.00 0.00 33.47 29.76 2i03 s TRP 525 CO 0.06 -0.27 0.49 1.52 0.02 0.00 0.00 176.95 178.78 2i03 s TYR 526 N -2.65 -0.11 0.06 -1.98 -0.85 0.41 -1.52 117.35 110.70 2i03 s TYR 526 Ca 0.50 -0.23 0.01 0.00 -0.52 0.00 0.00 57.07 56.84 2i03 s TYR 526 Cb -0.10 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 2i03 s TYR 526 CO 0.40 -0.87 -0.05 1.14 -1.52 0.00 0.00 175.55 174.65 2i03 s GLN 527 N -3.87 0.59 -0.03 -3.49 -2.07 -0.76 -1.90 119.66 108.14 2i03 s GLN 527 Ca 0.09 -1.00 -0.01 0.00 -1.82 0.00 0.00 55.36 52.62 2i03 s GLN 527 Cb -0.00 -0.08 0.03 0.00 -1.09 0.00 0.00 33.01 31.87 2i03 s GLN 527 CO -0.04 -0.02 0.05 -1.64 -1.32 0.00 0.00 175.29 172.32 2i03 s MET 528 N -2.71 -0.02 -0.44 9.60 -1.94 -0.32 -2.01 119.30 121.46 2i03 s MET 528 Ca -0.01 0.24 -0.23 0.00 -1.71 0.00 0.00 55.69 53.98 2i03 s MET 528 Cb -0.02 -0.26 0.02 0.00 2.01 0.00 0.00 34.83 36.59 2i03 s MET 528 CO -0.04 -0.18 0.75 0.42 -0.01 0.00 0.00 175.02 175.96 2i03 s ILE 529 N 1.20 4.70 0.01 2.53 -1.09 0.13 -1.54 121.20 127.14 2i03 s ILE 529 Ca -0.08 0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 58.60 2i03 s ILE 529 Cb -0.13 -4.28 -0.06 0.00 -1.58 0.00 0.00 42.46 36.41 2i03 s ILE 529 CO -0.04 -0.66 0.43 -0.76 -1.23 0.00 0.00 174.94 172.68 2i03 s LEU 530 N 3.17 4.48 0.89 2.97 1.43 0.34 -2.12 118.68 129.84 2i03 s LEU 530 Ca 0.28 1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 54.28 2i03 s LEU 530 Cb -0.13 -2.64 0.13 0.00 0.03 0.00 0.00 46.19 43.59 2i03 s LEU 530 CO 0.21 0.32 1.15 -2.84 0.23 0.00 0.00 176.35 175.42 2i03 s PRO 531 N -1.11 1.15 0.49 1.29 0.02 -1.26 0.13 135.00 135.71 2i03 s PRO 531 Ca 0.25 1.57 -0.23 0.00 0.02 0.00 0.00 61.00 62.60 2i03 s PRO 531 Cb -0.17 -1.74 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 2i03 s PRO 531 CO 0.14 -2.54 1.26 -2.14 -0.33 0.00 0.00 177.00 173.39 2i03 s PRO 532 N -4.59 3.51 -1.41 5.54 0.02 -1.26 -2.57 135.00 134.24 2i03 s PRO 532 Ca 0.67 2.01 -0.08 0.00 0.02 0.00 0.00 61.00 63.62 2i03 s PRO 532 Cb -0.23 -2.37 0.01 0.00 0.02 0.00 0.00 34.50 31.92 2i03 s PRO 532 CO 0.57 -0.82 1.06 0.72 -0.33 0.00 0.00 177.00 178.20 2i03 n HIS 533 N -0.66 -2.68 -1.65 6.54 8.25 -1.26 -4.89 115.22 118.87 2i03 n HIS 533 Ca 0.08 0.91 -0.45 0.00 -0.26 0.00 0.00 57.72 58.00 2i03 n HIS 533 Cb 0.46 -4.89 -0.02 0.00 1.12 0.00 0.00 29.99 26.66 2i03 n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2i03 n PHE 534 N -4.90 1.94 -3.83 4.41 7.35 -1.06 -4.97 117.46 116.39 2i03 n PHE 534 Ca -0.02 0.52 -0.30 0.00 -0.76 0.00 0.00 57.45 56.89 2i03 n PHE 534 Cb 0.57 -2.40 -0.15 0.00 0.35 0.00 0.00 39.48 37.85 2i03 n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2i03 s ASP 535 N 0.06 4.08 0.00 -2.13 2.15 -1.26 -4.98 116.67 114.60 2i03 s ASP 535 Ca 0.66 -1.61 0.00 0.00 0.43 0.00 0.00 52.55 52.03 2i03 s ASP 535 Cb -0.68 -1.07 0.01 0.00 -0.30 0.00 0.00 42.92 40.88 2i03 s ASP 535 CO 0.53 -0.37 0.83 2.29 -0.17 0.00 0.00 175.17 178.28 2i03 n LYS 536 N 4.70 0.00 0.05 4.34 2.85 -1.26 0.01 118.16 128.85 2i03 n LYS 536 Ca -0.03 0.33 -0.16 0.00 -1.05 0.00 0.00 58.31 57.40 2i03 n LYS 536 Cb 0.43 -1.68 -0.14 0.00 -0.65 0.00 0.00 35.03 32.99 2i03 n LYS 536 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2i03 h SER 537 N 0.00 0.34 -4.15 -5.58 0.87 -1.93 -3.37 113.55 99.72 2i03 h SER 537 Ca 0.00 -0.48 -0.48 0.00 -1.23 0.00 0.00 61.79 59.60 2i03 h SER 537 Cb 0.35 -0.11 0.04 0.00 -0.44 0.00 0.00 62.40 62.24 2i03 h SER 537 CO 0.00 1.41 0.38 -0.75 -0.53 0.00 0.00 176.83 177.33 2i03 s LYS 538 N -2.62 3.60 -0.34 2.24 2.20 0.10 -4.89 119.74 120.03 2i03 s LYS 538 Ca -0.09 1.21 -0.09 0.00 -0.36 0.00 0.00 55.97 56.64 2i03 s LYS 538 Cb 0.07 -2.07 0.02 0.00 -1.51 0.00 0.00 37.83 34.34 2i03 s LYS 538 CO 0.85 -0.58 0.16 0.15 -0.36 0.00 0.00 175.35 175.57 2i03 s LYS 539 N -3.79 2.96 0.17 4.03 1.02 -1.26 -4.29 119.74 118.57 2i03 s LYS 539 Ca 0.64 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.67 2i03 s LYS 539 Cb -0.15 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2i03 s LYS 539 CO 0.30 -0.59 0.32 0.71 -0.92 0.00 0.00 175.35 175.18 2i03 s TYR 540 N 1.54 3.48 0.44 3.18 1.51 -0.24 -4.50 117.35 122.75 2i03 s TYR 540 Ca 0.02 0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.06 2i03 s TYR 540 Cb -0.18 -1.73 -0.09 0.00 -0.11 0.00 0.00 41.96 39.84 2i03 s TYR 540 CO 0.05 0.46 1.02 -1.25 -1.11 0.00 0.00 175.55 174.73 2i03 s PRO 541 N -3.29 4.04 -0.06 -1.71 0.04 -1.26 -0.77 135.00 131.99 2i03 s PRO 541 Ca 0.36 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.81 2i03 s PRO 541 Cb -0.11 -2.30 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 2i03 s PRO 541 CO 0.29 -0.22 -0.20 -1.17 0.04 0.00 0.00 177.00 175.74 2i03 s LEU 542 N -3.07 1.94 -0.20 -3.56 0.20 -0.45 -1.80 118.68 111.75 2i03 s LEU 542 Ca 0.62 -0.42 -0.03 0.00 0.69 0.00 0.00 54.13 55.00 2i03 s LEU 542 Cb -0.17 -1.13 -0.01 0.00 -0.43 0.00 0.00 46.19 44.46 2i03 s LEU 542 CO 0.21 0.16 -0.08 -0.22 -0.29 0.00 0.00 176.35 176.13 2i03 s LEU 543 N 0.15 2.77 -0.47 -0.68 0.20 -0.16 -0.11 118.68 120.39 2i03 s LEU 543 Ca -0.08 -0.40 -0.17 0.00 0.69 0.00 0.00 54.13 54.16 2i03 s LEU 543 Cb -0.14 -1.68 0.05 0.00 -0.43 0.00 0.00 46.19 43.99 2i03 s LEU 543 CO 0.04 0.02 0.50 -0.22 -0.29 0.00 0.00 176.35 176.40 2i03 s LEU 544 N 1.20 5.14 -0.37 -0.68 2.96 -0.01 -1.04 118.68 125.87 2i03 s LEU 544 Ca 0.02 -0.97 -0.26 0.00 -0.22 0.00 0.00 54.13 52.70 2i03 s LEU 544 Cb -0.14 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.22 2i03 s LEU 544 CO -0.03 -0.72 0.94 -0.62 -1.32 0.00 0.00 176.35 174.60 2i03 s ASP 545 N 2.39 6.69 0.14 3.68 -1.08 0.12 -1.71 116.67 126.89 2i03 s ASP 545 Ca 0.11 0.59 0.10 0.00 -0.52 0.00 0.00 52.55 52.83 2i03 s ASP 545 Cb -0.20 -2.47 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 2i03 s ASP 545 CO 0.11 -0.87 -0.23 0.54 0.52 0.00 0.00 175.17 175.23 2i03 s VAL 546 N 3.51 2.06 0.03 1.11 0.11 -0.11 -4.30 120.40 122.80 2i03 s VAL 546 Ca 0.39 -1.77 0.00 0.00 -2.93 0.00 0.00 61.98 57.67 2i03 s VAL 546 Cb -0.12 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 2i03 s VAL 546 CO 0.19 -0.05 0.00 0.00 -3.33 0.00 0.00 175.10 171.91 2i03 n TYR 547 N 0.76 -0.20 -1.29 1.54 9.36 -1.26 -4.14 117.16 121.93 2i03 n TYR 547 Ca -0.17 0.04 -0.10 0.00 3.32 0.00 0.00 57.90 60.99 2i03 n TYR 547 Cb 0.54 0.38 -0.04 0.00 -0.63 0.00 0.00 39.34 39.59 2i03 n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2i03 n ALA 548 N -2.60 -0.15 -1.30 2.98 0.00 -1.26 -3.21 120.51 114.97 2i03 n ALA 548 Ca 0.00 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 2i03 n ALA 548 Cb 0.00 -1.68 0.08 0.00 0.00 0.00 0.00 19.45 17.85 2i03 n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2i03 s GLY 549 N -2.40 1.88 0.08 0.00 0.00 -1.26 -4.85 107.32 100.76 2i03 s GLY 549 Ca 0.00 0.43 -0.34 0.00 0.00 0.00 0.00 44.72 44.81 2i03 s GLY 549 CO 0.00 0.78 1.70 -1.55 0.00 0.00 0.00 173.10 174.04 2i03 n PRO 550 N -3.17 2.24 -1.58 2.90 -0.04 -1.26 -1.35 135.00 132.74 2i03 n PRO 550 Ca 0.10 0.81 -0.04 0.00 -0.04 0.00 0.00 63.50 64.33 2i03 n PRO 550 Cb 0.52 -2.62 -0.01 0.00 -0.04 0.00 0.00 33.50 31.35 2i03 n PRO 550 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i03 s SER 552 N -2.89 4.89 -0.27 0.00 1.04 -0.46 -4.16 113.70 111.85 2i03 s SER 552 Ca 0.00 -0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.38 2i03 s SER 552 Cb 0.00 -0.67 0.15 0.00 0.10 0.00 0.00 66.02 65.60 2i03 s SER 552 CO 0.00 -1.46 0.52 -1.58 0.98 0.00 0.00 173.24 171.69 2i03 s GLN 553 N -4.99 0.47 0.00 4.02 0.74 -1.26 -1.01 119.66 117.63 2i03 s GLN 553 Ca 0.61 0.93 0.12 0.00 0.05 0.00 0.00 55.36 57.07 2i03 s GLN 553 Cb -0.09 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.26 2i03 s GLN 553 CO 0.42 -0.52 0.66 1.63 -0.55 0.00 0.00 175.29 176.93 2i03 n LYS 554 N 5.41 2.18 -3.89 1.67 4.76 -1.26 -4.86 118.16 122.16 2i03 n LYS 554 Ca -0.04 -0.56 -0.35 0.00 -2.87 0.00 0.00 58.31 54.49 2i03 n LYS 554 Cb 0.50 -1.12 -0.13 0.00 -1.84 0.00 0.00 35.03 32.44 2i03 n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i03 s ALA 555 N -1.61 2.90 0.35 7.82 0.00 -1.26 -4.78 121.76 125.18 2i03 s ALA 555 Ca 0.09 -2.06 -0.03 0.00 0.00 0.00 0.00 51.96 49.95 2i03 s ALA 555 Cb 0.09 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 21.17 2i03 s ALA 555 CO 0.33 -1.46 0.51 0.16 0.00 0.00 0.00 175.76 175.30 2i03 s ASP 556 N 1.36 0.88 -0.37 0.00 1.47 -1.26 -4.43 116.67 114.32 2i03 s ASP 556 Ca 0.00 -1.48 0.03 0.00 1.18 0.00 0.00 52.55 52.29 2i03 s ASP 556 Cb -0.20 0.69 0.55 0.00 -0.34 0.00 0.00 42.92 43.62 2i03 s ASP 556 CO -0.03 -1.35 1.75 0.35 0.68 0.00 0.00 175.17 176.58 2i03 n THR 557 N -0.57 2.81 -3.13 2.11 -2.24 -0.89 -4.96 114.28 107.41 2i03 n THR 557 Ca 0.00 -1.58 -0.38 0.00 -2.27 0.00 0.00 64.05 59.83 2i03 n THR 557 Cb 0.61 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 2i03 n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2i03 s VAL 558 N -2.71 4.57 -0.13 2.28 1.01 -1.26 -1.69 120.40 122.46 2i03 s VAL 558 Ca 0.47 1.36 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 2i03 s VAL 558 Cb 0.39 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2i03 s VAL 558 CO 0.09 0.40 0.61 0.12 0.00 0.00 0.00 175.10 176.32 2i03 s PHE 559 N -1.30 3.48 0.02 5.22 5.36 -0.18 -4.90 117.98 125.69 2i03 s PHE 559 Ca 0.37 1.03 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 2i03 s PHE 559 Cb -0.19 -2.74 -0.01 0.00 -0.34 0.00 0.00 43.02 39.74 2i03 s PHE 559 CO 0.22 0.00 -0.07 1.03 -1.46 0.00 0.00 175.22 174.95 2i03 s ARG 560 N 1.20 0.50 -0.47 10.12 0.52 -1.26 -4.91 118.95 124.65 2i03 s ARG 560 Ca 0.31 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 2i03 s ARG 560 Cb -0.16 -0.39 0.12 0.00 0.52 0.00 0.00 34.95 35.04 2i03 s ARG 560 CO 0.13 0.09 0.22 -0.51 0.02 0.00 0.00 175.30 175.25 2i03 s LEU 561 N -0.83 4.75 0.00 2.53 1.02 -1.26 -4.87 118.68 120.03 2i03 s LEU 561 Ca -0.03 -2.59 0.00 0.00 0.02 0.00 0.00 54.13 51.53 2i03 s LEU 561 Cb -0.06 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.45 2i03 s LEU 561 CO 0.00 -0.35 0.00 -0.46 0.02 0.00 0.00 176.35 175.57 2i03 n ASN 562 N 3.73 0.00 -0.21 2.29 0.23 -1.26 -5.01 115.26 115.03 2i03 n ASN 562 Ca 0.04 -0.43 -0.01 0.00 -0.53 0.00 0.00 54.58 53.65 2i03 n ASN 562 Cb 0.37 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.17 2i03 n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2i03 h TRP 563 N 0.43 0.53 -0.33 -2.53 7.01 -1.97 -0.97 115.95 118.13 2i03 h TRP 563 Ca 0.00 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.08 2i03 h TRP 563 Cb 0.00 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 2i03 h TRP 563 CO 0.00 0.21 0.23 0.00 -2.79 0.00 0.00 178.44 176.09 2i03 h ALA 564 N 1.37 2.04 -0.67 2.65 0.00 -1.98 0.17 119.26 122.84 2i03 h ALA 564 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2i03 h ALA 564 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2i03 h ALA 564 CO -0.23 -0.10 0.37 1.15 0.00 0.00 0.00 179.25 180.44 2i03 h THR 565 N 0.22 1.21 -0.20 0.00 2.02 -1.51 -1.83 112.91 112.81 2i03 h THR 565 Ca 0.15 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 2i03 h THR 565 Cb 0.31 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2i03 h THR 565 CO -0.03 0.23 -0.04 0.22 0.37 0.00 0.00 175.52 176.27 2i03 h TYR 566 N 0.92 0.43 -0.33 3.16 3.20 -0.90 -0.83 116.97 122.62 2i03 h TYR 566 Ca 0.24 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 62.08 2i03 h TYR 566 Cb 0.04 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 2i03 h TYR 566 CO -0.01 0.63 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.99 2i03 h LEU 567 N 0.11 -0.30 0.08 2.82 3.38 -0.92 -1.35 115.31 119.14 2i03 h LEU 567 Ca 0.05 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2i03 h LEU 567 Cb 0.48 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2i03 h LEU 567 CO 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 178.44 178.41 2i03 h ALA 568 N 1.33 -0.10 0.84 1.53 0.00 -1.34 -0.57 119.26 120.95 2i03 h ALA 568 Ca 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2i03 h ALA 568 Cb 0.24 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2i03 h ALA 568 CO -0.34 -0.27 -0.40 1.03 0.00 0.00 0.00 179.25 179.27 2i03 h SER 569 N -0.68 -0.95 0.20 0.00 0.87 -1.11 -2.08 113.55 109.80 2i03 h SER 569 Ca -0.01 0.03 -0.35 0.00 -1.23 0.00 0.00 61.79 60.23 2i03 h SER 569 Cb 0.55 0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2i03 h SER 569 CO 0.02 -0.67 -1.74 0.74 -0.53 0.00 0.00 176.83 174.66 2i03 h THR 570 N -1.15 0.96 0.00 2.23 2.02 -1.37 -3.39 112.91 112.21 2i03 h THR 570 Ca -0.11 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.54 2i03 h THR 570 Cb 0.87 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 2i03 h THR 570 CO 0.19 0.86 -0.76 -0.62 0.37 0.00 0.00 175.52 175.55 2i03 n GLU 571 N -3.60 0.08 -3.37 6.66 -0.58 -0.55 -4.99 120.64 114.30 2i03 n GLU 571 Ca -0.24 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.32 2i03 n GLU 571 Cb 1.08 -1.53 0.08 0.00 -0.57 0.00 0.00 31.44 30.50 2i03 n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2i03 n ASN 572 N -1.63 -3.66 -4.54 1.62 4.13 -0.33 -4.93 115.26 105.92 2i03 n ASN 572 Ca 0.04 -0.53 -0.33 0.00 1.68 0.00 0.00 54.58 55.44 2i03 n ASN 572 Cb 0.36 -4.62 -0.12 0.00 -1.54 0.00 0.00 39.78 33.86 2i03 n ASN 572 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2i03 s ILE 573 N -3.31 3.46 -0.12 2.41 1.01 -0.88 -4.47 121.20 119.30 2i03 s ILE 573 Ca 0.22 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 2i03 s ILE 573 Cb -0.10 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 2i03 s ILE 573 CO 0.66 0.59 0.81 -0.63 0.00 0.00 0.00 174.94 176.37 2i03 s ILE 574 N -0.71 4.93 -0.32 2.92 1.01 -0.75 -3.33 121.20 124.95 2i03 s ILE 574 Ca 0.11 1.63 -0.07 0.00 0.00 0.00 0.00 60.65 62.32 2i03 s ILE 574 Cb -0.11 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.25 2i03 s ILE 574 CO 0.01 0.11 0.11 -0.69 0.00 0.00 0.00 174.94 174.48 2i03 s VAL 575 N 1.62 4.02 0.21 2.92 1.01 -0.90 -0.99 120.40 128.29 2i03 s VAL 575 Ca 0.40 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2i03 s VAL 575 Cb -0.17 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2i03 s VAL 575 CO 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 175.10 175.17 2i03 s ALA 576 N 1.48 3.10 -0.05 5.51 0.00 -0.21 0.17 121.76 131.77 2i03 s ALA 576 Ca 0.01 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 2i03 s ALA 576 Cb -0.18 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2i03 s ALA 576 CO 0.03 0.40 0.13 -1.12 0.00 0.00 0.00 175.76 175.20 2i03 s SER 577 N -3.17 -0.12 -0.04 0.00 0.01 -0.85 0.13 113.70 109.66 2i03 s SER 577 Ca 0.28 0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.79 2i03 s SER 577 Cb -0.08 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.42 2i03 s SER 577 CO 0.18 -0.06 -0.10 0.12 0.41 0.00 0.00 173.24 173.79 2i03 s PHE 578 N -0.02 1.12 -0.49 2.43 5.36 -1.26 -1.83 117.98 123.28 2i03 s PHE 578 Ca -0.01 -0.33 -0.14 0.00 -0.96 0.00 0.00 56.93 55.50 2i03 s PHE 578 Cb -0.01 -0.82 0.11 0.00 -0.34 0.00 0.00 43.02 41.95 2i03 s PHE 578 CO 0.00 -0.16 0.41 -0.51 -1.46 0.00 0.00 175.22 173.50 2i03 s ASP 579 N 0.39 6.01 0.00 6.13 1.01 -0.58 -4.86 116.67 124.77 2i03 s ASP 579 Ca -0.07 -1.67 0.00 0.00 0.71 0.00 0.00 52.55 51.52 2i03 s ASP 579 Cb -0.11 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.68 2i03 s ASP 579 CO 0.01 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.27 2i03 n GLY 580 N 5.12 2.23 3.70 0.21 0.00 -1.26 -4.14 105.19 111.05 2i03 n GLY 580 Ca -0.12 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2i03 n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i03 n ARG 581 N 0.00 1.99 0.00 1.61 3.00 -1.26 -1.50 116.66 120.50 2i03 n ARG 581 Ca 0.00 0.70 0.00 0.00 -0.01 0.00 0.00 57.85 58.54 2i03 n ARG 581 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 32.46 30.10 2i03 n ARG 581 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2i03 n GLY 582 N 0.80 3.06 3.60 -0.13 0.00 0.30 -4.27 105.19 108.56 2i03 n GLY 582 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2i03 n GLY 582 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i03 n SER 583 N 0.00 -0.06 -4.82 1.61 7.64 -0.56 0.44 113.62 117.87 2i03 n SER 583 Ca 0.00 0.51 -0.22 0.00 1.01 0.00 0.00 58.87 60.16 2i03 n SER 583 Cb 0.00 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 61.75 2i03 n SER 583 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2i03 s GLY 584 N -2.08 2.20 -0.44 0.23 0.00 -0.18 -3.49 107.32 103.56 2i03 s GLY 584 Ca 0.68 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2i03 s GLY 584 CO 0.56 -1.78 0.00 -1.72 0.00 0.00 0.00 173.10 170.17 2i03 n TYR 585 N -1.42 -0.01 -1.95 1.90 4.01 -1.26 -4.85 117.16 113.58 2i03 n TYR 585 Ca 0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 2i03 n TYR 585 Cb 0.63 -1.11 0.03 0.00 -0.31 0.00 0.00 39.34 38.58 2i03 n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2i03 n GLN 586 N -2.84 0.23 0.00 -0.72 6.02 -1.26 -4.52 117.38 114.29 2i03 n GLN 586 Ca -0.04 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 2i03 n GLN 586 Cb 0.15 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 30.83 2i03 n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i03 n GLY 587 N -0.14 0.26 0.21 1.08 0.00 -1.26 -4.65 105.19 100.68 2i03 n GLY 587 Ca 0.04 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.40 2i03 n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i03 h ASP 588 N 0.00 0.11 -0.76 1.61 3.32 -0.05 -2.59 116.42 118.06 2i03 h ASP 588 Ca 0.00 -0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.15 2i03 h ASP 588 Cb 0.00 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.44 2i03 h ASP 588 CO 0.00 0.37 0.35 0.50 -1.72 0.00 0.00 179.24 178.75 2i03 h LYS 589 N 0.10 0.53 0.03 3.56 3.64 -1.86 0.63 116.57 123.20 2i03 h LYS 589 Ca 0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2i03 h LYS 589 Cb 0.52 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2i03 h LYS 589 CO 0.04 0.35 -0.01 0.82 -2.27 0.00 0.00 179.45 178.37 2i03 h ILE 590 N 0.55 1.39 -0.34 2.00 2.04 -1.81 -3.21 117.51 118.13 2i03 h ILE 590 Ca 0.40 -1.73 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 2i03 h ILE 590 Cb 0.54 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 2i03 h ILE 590 CO -0.34 0.41 0.21 -0.03 0.00 0.00 0.00 178.15 178.40 2i03 h MET 591 N -0.85 0.47 -0.09 2.37 4.05 -1.04 0.95 114.93 120.79 2i03 h MET 591 Ca -0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2i03 h MET 591 Cb 0.71 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2i03 h MET 591 CO 0.01 0.35 0.00 0.72 0.23 0.00 0.00 176.91 178.21 2i03 n HIS 592 N -4.82 0.12 -0.22 1.39 8.25 0.21 -4.02 115.22 116.13 2i03 n HIS 592 Ca -0.01 -0.06 0.03 0.00 -0.26 0.00 0.00 57.72 57.42 2i03 n HIS 592 Cb 0.05 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.43 2i03 n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i03 h ALA 593 N 3.34 1.54 -0.44 -1.41 0.00 -1.48 -2.23 119.26 118.57 2i03 h ALA 593 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2i03 h ALA 593 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2i03 h ALA 593 CO 0.00 0.39 0.00 0.44 0.00 0.00 0.00 179.25 180.08 2i03 n ILE 594 N -4.45 1.46 -1.66 0.00 -5.35 -1.26 -4.92 119.36 103.18 2i03 n ILE 594 Ca 0.10 -0.86 -0.47 0.00 -0.27 0.00 0.00 62.75 61.25 2i03 n ILE 594 Cb 0.11 -0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 37.87 2i03 n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2i03 n ASN 595 N 0.64 2.97 -1.15 7.28 4.05 -0.84 -0.35 115.26 127.85 2i03 n ASN 595 Ca 0.18 1.09 -0.14 0.00 0.45 0.00 0.00 54.58 56.16 2i03 n ASN 595 Cb 0.73 -1.41 -0.06 0.00 1.23 0.00 0.00 39.78 40.28 2i03 n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2i03 n ARG 596 N 3.37 -1.58 -2.75 1.20 1.74 0.40 -4.81 116.66 114.23 2i03 n ARG 596 Ca 0.17 0.97 -0.03 0.00 -0.77 0.00 0.00 57.85 58.19 2i03 n ARG 596 Cb 0.28 -5.33 0.06 0.00 -1.02 0.00 0.00 32.46 26.45 2i03 n ARG 596 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2i03 n ARG 597 N -1.43 1.47 -1.77 5.56 3.00 0.52 -4.91 116.66 119.10 2i03 n ARG 597 Ca -0.14 -2.98 -0.37 0.00 -0.00 0.00 0.00 57.85 54.35 2i03 n ARG 597 Cb 0.60 -1.10 0.06 0.00 0.00 0.00 0.00 32.46 32.01 2i03 n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2i03 s LEU 598 N -3.61 3.67 0.00 6.15 1.43 -1.21 -2.97 118.68 122.14 2i03 s LEU 598 Ca 0.24 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.00 2i03 s LEU 598 Cb 0.38 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2i03 s LEU 598 CO -0.03 -1.85 0.00 0.61 0.23 0.00 0.00 176.35 175.31 2i03 n GLY 599 N 0.82 0.48 0.00 -3.19 0.00 -1.26 -4.86 105.19 97.19 2i03 n GLY 599 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2i03 n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i03 n THR 600 N -2.87 0.00 -0.20 2.61 -2.24 -1.16 -4.75 114.28 105.67 2i03 n THR 600 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2i03 n THR 600 Cb 0.00 -0.02 0.30 0.00 -2.10 0.00 0.00 70.33 68.51 2i03 n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2i03 h PHE 601 N 0.00 0.85 -0.12 4.78 0.04 -1.94 -0.94 116.94 119.62 2i03 h PHE 601 Ca 0.00 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2i03 h PHE 601 Cb 0.00 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 2i03 h PHE 601 CO 0.00 0.48 -0.17 1.05 -0.60 0.00 0.00 178.31 179.08 2i03 h GLU 602 N 0.87 0.19 0.12 1.51 9.09 -1.91 0.18 114.58 124.63 2i03 h GLU 602 Ca 0.30 -0.05 -0.22 0.00 0.05 0.00 0.00 59.36 59.45 2i03 h GLU 602 Cb 0.11 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 2i03 h GLU 602 CO -0.09 0.36 -1.07 -0.39 0.05 0.00 0.00 179.01 177.87 2i03 h VAL 603 N 0.18 1.28 -0.74 -1.06 -1.51 -1.69 -3.19 116.25 109.52 2i03 h VAL 603 Ca 0.03 -2.45 0.13 0.00 -1.23 0.00 0.00 66.70 63.18 2i03 h VAL 603 Cb 0.41 2.95 -0.09 0.00 -2.13 0.00 0.00 31.29 32.43 2i03 h VAL 603 CO 0.03 0.69 0.30 -0.33 -1.23 0.00 0.00 177.57 177.03 2i03 h GLU 604 N -0.39 0.45 -0.38 5.19 5.08 -1.02 -1.01 114.58 122.50 2i03 h GLU 604 Ca -0.22 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 2i03 h GLU 604 Cb 1.66 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 2i03 h GLU 604 CO 0.09 0.29 0.02 -0.44 -1.00 0.00 0.00 179.01 177.97 2i03 h ASP 605 N 0.46 0.55 0.28 1.42 3.32 -0.75 -0.95 116.42 120.75 2i03 h ASP 605 Ca 0.40 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 2i03 h ASP 605 Cb 0.58 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2i03 h ASP 605 CO -0.38 0.61 -0.27 -0.61 -1.72 0.00 0.00 179.24 176.86 2i03 h GLN 606 N 0.56 0.00 -0.04 3.56 5.75 -1.18 0.11 115.11 123.88 2i03 h GLN 606 Ca 0.12 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.44 2i03 h GLN 606 Cb 0.33 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.89 2i03 h GLN 606 CO 0.01 0.27 -0.67 0.82 -2.65 0.00 0.00 178.83 176.61 2i03 h ILE 607 N 0.00 1.37 -0.86 2.39 2.04 -0.93 -2.83 117.51 118.69 2i03 h ILE 607 Ca -0.00 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 63.83 2i03 h ILE 607 Cb 0.48 2.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 2i03 h ILE 607 CO 0.04 0.61 0.57 -0.08 0.00 0.00 0.00 178.15 179.28 2i03 h GLU 608 N 0.09 1.12 -0.44 2.37 4.22 -0.57 0.69 114.58 122.06 2i03 h GLU 608 Ca -0.07 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.30 2i03 h GLU 608 Cb 1.35 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2i03 h GLU 608 CO 0.13 0.74 0.29 0.00 -2.18 0.00 0.00 179.01 178.00 2i03 h ALA 609 N 1.32 0.56 -0.28 2.92 0.00 -0.78 0.40 119.26 123.40 2i03 h ALA 609 Ca 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2i03 h ALA 609 Cb -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2i03 h ALA 609 CO -0.08 0.01 0.06 0.00 0.00 0.00 0.00 179.25 179.24 2i03 h ALA 610 N 1.17 0.37 -0.18 0.00 0.00 -1.19 0.53 119.26 119.96 2i03 h ALA 610 Ca 0.16 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2i03 h ALA 610 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2i03 h ALA 610 CO -0.04 0.04 0.13 -0.09 0.00 0.00 0.00 179.25 179.29 2i03 h ARG 611 N 0.29 0.11 0.20 0.00 2.43 -0.45 0.35 114.38 117.31 2i03 h ARG 611 Ca 0.09 -0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 58.93 2i03 h ARG 611 Cb 0.30 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2i03 h ARG 611 CO 0.00 0.07 -1.43 1.96 -1.51 0.00 0.00 179.97 179.07 2i03 h GLN 612 N 0.12 0.43 -0.12 0.20 1.08 0.64 -3.34 115.11 114.11 2i03 h GLN 612 Ca 0.08 -0.74 -0.01 0.00 -1.45 0.00 0.00 58.65 56.53 2i03 h GLN 612 Cb 0.18 0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2i03 h GLN 612 CO -0.01 1.35 0.04 0.74 -0.95 0.00 0.00 178.83 179.99 2i03 h PHE 613 N 0.12 0.20 0.00 2.96 0.04 0.11 -2.40 116.94 117.97 2i03 h PHE 613 Ca -0.22 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.52 2i03 h PHE 613 Cb 2.10 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 40.19 2i03 h PHE 613 CO 0.10 0.33 0.00 -1.13 -0.60 0.00 0.00 178.31 177.02 2i03 n SER 614 N -4.87 0.00 -0.53 2.17 3.41 0.01 -0.77 113.62 113.05 2i03 n SER 614 Ca -0.05 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.63 2i03 n SER 614 Cb 0.14 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.27 2i03 n SER 614 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2i03 n LYS 615 N -0.82 2.49 0.00 4.33 4.76 -0.90 -4.44 118.16 123.58 2i03 n LYS 615 Ca 0.00 -2.48 0.10 0.00 -2.87 0.00 0.00 58.31 53.06 2i03 n LYS 615 Cb 0.00 -1.56 -0.02 0.00 -1.84 0.00 0.00 35.03 31.61 2i03 n LYS 615 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2i03 n MET 616 N -0.57 1.22 0.00 1.97 2.81 0.05 -5.00 117.12 117.60 2i03 n MET 616 Ca 0.16 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 2i03 n MET 616 Cb 0.67 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 2i03 n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i03 n GLY 617 N 1.37 3.19 1.72 3.03 0.00 -1.26 -4.85 105.19 108.38 2i03 n GLY 617 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2i03 n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2i03 n PHE 618 N -1.84 2.10 -4.08 1.61 1.16 -1.26 -4.59 117.46 110.56 2i03 n PHE 618 Ca 0.00 -1.43 -0.26 0.00 -1.87 0.00 0.00 57.45 53.89 2i03 n PHE 618 Cb 0.00 -0.66 -0.17 0.00 -1.61 0.00 0.00 39.48 37.04 2i03 n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2i03 s VAL 619 N -3.12 1.04 -0.79 1.97 1.01 -1.26 -1.08 120.40 118.18 2i03 s VAL 619 Ca 0.52 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2i03 s VAL 619 Cb 0.43 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2i03 s VAL 619 CO 0.09 0.36 1.63 -0.62 0.00 0.00 0.00 175.10 176.56 2i03 s ASP 620 N 1.42 5.75 0.00 3.32 -1.08 0.05 -4.80 116.67 121.33 2i03 s ASP 620 Ca -0.00 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.58 2i03 s ASP 620 Cb -0.13 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2i03 s ASP 620 CO -0.05 -2.12 0.74 -0.46 0.52 0.00 0.00 175.17 173.80 2i03 n ASN 621 N 11.25 0.00 -0.55 -0.34 6.94 -1.26 -0.01 115.26 131.29 2i03 n ASN 621 Ca 0.21 0.26 0.13 0.00 -0.02 0.00 0.00 54.58 55.16 2i03 n ASN 621 Cb 0.50 -0.26 0.29 0.00 -2.36 0.00 0.00 39.78 37.95 2i03 n ASN 621 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2i03 n LYS 622 N -1.24 1.57 -3.20 -3.83 5.02 -1.26 -4.48 118.16 110.74 2i03 n LYS 622 Ca 0.00 -1.11 -0.24 0.00 -2.02 0.00 0.00 58.31 54.94 2i03 n LYS 622 Cb 0.02 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.49 2i03 n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2i03 n ARG 623 N 0.25 0.77 -4.02 1.97 1.74 0.99 -4.88 116.66 113.49 2i03 n ARG 623 Ca 0.14 -3.27 -0.34 0.00 -0.77 0.00 0.00 57.85 53.62 2i03 n ARG 623 Cb 0.44 -1.25 -0.15 0.00 -1.02 0.00 0.00 32.46 30.48 2i03 n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2i03 s ILE 624 N -1.24 2.67 0.43 0.55 1.01 -1.26 -1.34 121.20 122.02 2i03 s ILE 624 Ca 0.35 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.29 2i03 s ILE 624 Cb 0.17 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2i03 s ILE 624 CO -0.11 0.45 0.21 0.00 0.00 0.00 0.00 174.94 175.49 2i03 s ALA 625 N 1.37 3.71 -0.14 9.38 0.00 0.85 -1.15 121.76 135.78 2i03 s ALA 625 Ca 0.05 -1.98 -0.12 0.00 0.00 0.00 0.00 51.96 49.91 2i03 s ALA 625 Cb -0.14 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.55 2i03 s ALA 625 CO -0.08 -0.19 0.36 -1.50 0.00 0.00 0.00 175.76 174.35 2i03 s ILE 626 N -2.61 -0.00 0.05 0.00 2.07 -0.95 -0.83 121.20 118.93 2i03 s ILE 626 Ca 0.40 0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.52 2i03 s ILE 626 Cb 0.03 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 42.13 2i03 s ILE 626 CO 0.22 0.00 0.30 -1.66 -1.91 0.00 0.00 174.94 171.90 2i03 s TRP 627 N 0.26 -0.09 0.11 3.50 1.48 -0.69 -0.68 118.94 122.83 2i03 s TRP 627 Ca -0.01 -0.07 -0.26 0.00 -1.06 0.00 0.00 56.10 54.70 2i03 s TRP 627 Cb -0.03 0.09 0.07 0.00 -1.16 0.00 0.00 33.47 32.45 2i03 s TRP 627 CO -0.00 -0.51 0.92 0.20 -4.06 0.00 0.00 176.95 173.50 2i03 s GLY 628 N -2.14 -0.31 0.06 3.67 0.00 -0.75 -0.93 107.32 106.93 2i03 s GLY 628 Ca -0.04 0.39 0.09 0.00 0.00 0.00 0.00 44.72 45.15 2i03 s GLY 628 CO -0.04 0.10 -0.24 0.86 0.00 0.00 0.00 173.10 173.78 2i03 s TRP 629 N -3.27 2.08 0.00 1.90 -0.11 -1.26 -1.68 118.94 116.61 2i03 s TRP 629 Ca 0.10 -0.39 0.00 0.00 1.22 0.00 0.00 56.10 57.02 2i03 s TRP 629 Cb -0.01 -1.22 0.00 0.00 -1.50 0.00 0.00 33.47 30.74 2i03 s TRP 629 CO -0.02 0.16 0.00 0.45 -4.62 0.00 0.00 176.95 172.92 2i03 n SER 630 N 1.59 0.00 0.07 5.86 2.88 -0.71 0.13 113.62 123.44 2i03 n SER 630 Ca -0.17 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.33 2i03 n SER 630 Cb 0.53 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.17 2i03 n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2i03 h TYR 631 N 0.00 0.37 -0.03 0.66 5.03 -1.86 -1.55 116.97 119.60 2i03 h TYR 631 Ca 0.00 -0.11 -0.08 0.00 2.58 0.00 0.00 58.73 61.12 2i03 h TYR 631 Cb 0.00 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 2i03 h TYR 631 CO 0.00 0.70 -0.38 0.78 -1.32 0.00 0.00 178.16 177.94 2i03 h GLY 632 N 1.22 0.06 1.10 1.82 0.00 -0.28 -0.09 103.07 106.89 2i03 h GLY 632 Ca 0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 2i03 h GLY 632 CO 0.07 0.05 -0.37 -1.33 0.00 0.00 0.00 176.54 174.96 2i03 h GLY 633 N 1.16 0.98 0.93 4.60 0.00 -1.27 0.23 103.07 109.70 2i03 h GLY 633 Ca 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.33 2i03 h GLY 633 CO 0.05 0.90 -0.04 -1.82 0.00 0.00 0.00 176.54 175.63 2i03 h TYR 634 N 0.71 -0.11 -0.36 5.60 3.20 -0.71 -1.18 116.97 124.13 2i03 h TYR 634 Ca 0.06 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2i03 h TYR 634 Cb 0.96 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2i03 h TYR 634 CO 0.07 -0.00 0.17 0.28 -1.64 0.00 0.00 178.16 177.03 2i03 h VAL 635 N -0.19 1.17 -0.69 1.81 2.07 -0.97 -0.24 116.25 119.20 2i03 h VAL 635 Ca -0.01 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.12 2i03 h VAL 635 Cb 0.15 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2i03 h VAL 635 CO 0.02 0.18 0.35 0.74 0.02 0.00 0.00 177.57 178.87 2i03 h THR 636 N 0.44 0.86 -0.59 2.57 2.02 -0.87 0.40 112.91 117.73 2i03 h THR 636 Ca 0.12 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2i03 h THR 636 Cb 0.12 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2i03 h THR 636 CO -0.02 0.11 0.05 0.28 0.37 0.00 0.00 175.52 176.32 2i03 h SER 637 N 0.60 0.96 -0.26 4.18 0.02 -0.64 0.86 113.55 119.26 2i03 h SER 637 Ca 0.34 -0.24 -0.17 0.00 -0.84 0.00 0.00 61.79 60.88 2i03 h SER 637 Cb 0.34 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2i03 h SER 637 CO -0.26 0.98 -0.50 0.24 -1.14 0.00 0.00 176.83 176.16 2i03 h MET 638 N 0.92 0.84 -0.50 3.45 2.86 -0.19 -1.55 114.93 120.75 2i03 h MET 638 Ca 0.18 -0.50 -0.07 0.00 -2.06 0.00 0.00 59.70 57.25 2i03 h MET 638 Cb 0.47 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 2i03 h MET 638 CO 0.02 1.14 0.06 0.28 1.06 0.00 0.00 176.91 179.46 2i03 h VAL 639 N 0.66 1.26 0.00 -2.22 2.07 0.01 -1.29 116.25 116.74 2i03 h VAL 639 Ca 0.03 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 2i03 h VAL 639 Cb 1.09 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2i03 h VAL 639 CO 0.11 0.35 -0.23 -0.07 0.02 0.00 0.00 177.57 177.75 2i03 h LEU 640 N 0.72 0.00 -2.14 2.57 3.38 -0.77 -2.45 115.31 116.63 2i03 h LEU 640 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2i03 h LEU 640 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2i03 h LEU 640 CO 0.01 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.39 2i03 n GLY 641 N -0.14 1.64 0.17 0.83 0.00 -0.59 -4.29 105.19 102.80 2i03 n GLY 641 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 2i03 n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i03 h SER 642 N 3.70 0.31 0.00 1.61 4.64 -0.73 -3.43 113.55 119.64 2i03 h SER 642 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2i03 h SER 642 Cb 0.83 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2i03 h SER 642 CO 0.00 0.86 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 2i03 n GLY 643 N 0.33 0.45 0.09 -0.77 0.00 -1.26 -4.96 105.19 99.06 2i03 n GLY 643 Ca -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 2i03 n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i03 h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.47 113.55 114.42 2i03 h SER 644 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2i03 h SER 644 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2i03 h SER 644 CO 0.00 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 2i03 n GLY 645 N 0.97 2.19 0.21 -0.77 0.00 -1.26 -4.90 105.19 101.64 2i03 n GLY 645 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2i03 n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2i03 h VAL 646 N 0.00 1.33 -3.18 1.61 2.07 -1.95 -3.45 116.25 112.68 2i03 h VAL 646 Ca 0.00 -1.89 -0.67 0.00 0.82 0.00 0.00 66.70 64.96 2i03 h VAL 646 Cb 0.00 1.86 -0.14 0.00 -1.52 0.00 0.00 31.29 31.50 2i03 h VAL 646 CO 0.00 0.59 -0.59 -0.36 0.02 0.00 0.00 177.57 177.23 2i03 s PHE 647 N -3.89 3.25 -0.01 1.57 0.40 -1.26 -4.57 117.98 113.47 2i03 s PHE 647 Ca -0.07 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 2i03 s PHE 647 Cb 0.11 -1.86 -0.26 0.00 0.51 0.00 0.00 43.02 41.52 2i03 s PHE 647 CO 0.85 0.46 0.81 -0.22 0.70 0.00 0.00 175.22 177.82 2i03 h LYS 648 N 5.38 0.17 -3.35 0.44 3.64 -1.45 -3.46 116.57 117.95 2i03 h LYS 648 Ca -0.49 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 58.60 2i03 h LYS 648 Cb 1.20 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.04 2i03 h LYS 648 CO 0.57 0.97 0.03 0.00 -2.27 0.00 0.00 179.45 178.75 2i03 s GLY 650 N -2.94 -0.61 -0.10 0.00 0.00 0.09 -2.23 107.32 101.53 2i03 s GLY 650 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.39 2i03 s GLY 650 CO 0.04 0.17 -0.10 -0.42 0.00 0.00 0.00 173.10 172.79 2i03 s ILE 651 N -3.72 1.11 -0.22 0.90 1.01 0.15 -1.45 121.20 118.97 2i03 s ILE 651 Ca 0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2i03 s ILE 651 Cb -0.01 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2i03 s ILE 651 CO -0.13 0.37 -0.06 0.00 0.00 0.00 0.00 174.94 175.12 2i03 s ALA 652 N 1.37 2.73 -0.20 9.38 0.00 -0.57 -1.80 121.76 132.67 2i03 s ALA 652 Ca -0.01 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2i03 s ALA 652 Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2i03 s ALA 652 CO -0.05 -0.53 -0.05 0.08 0.00 0.00 0.00 175.76 175.21 2i03 s VAL 653 N 1.42 3.47 -1.43 0.00 1.01 -0.67 -1.26 120.40 122.94 2i03 s VAL 653 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2i03 s VAL 653 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2i03 s VAL 653 CO -0.05 0.44 0.32 0.00 0.00 0.00 0.00 175.10 175.81 2i03 n ALA 654 N 4.41 -2.07 -1.75 5.51 0.00 0.13 -1.73 120.51 125.01 2i03 n ALA 654 Ca -0.18 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 52.62 2i03 n ALA 654 Cb 0.51 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.55 2i03 n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2i03 s PRO 655 N -6.83 3.18 0.08 0.00 0.04 -1.26 -3.28 135.00 126.93 2i03 s PRO 655 Ca 0.05 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 61.70 2i03 s PRO 655 Cb -0.02 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2i03 s PRO 655 CO 0.93 -0.87 0.51 0.08 0.04 0.00 0.00 177.00 177.68 2i03 s VAL 656 N -3.16 4.88 -0.05 -0.36 1.01 -1.22 -4.54 120.40 116.95 2i03 s VAL 656 Ca 0.57 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.52 2i03 s VAL 656 Cb -0.12 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 2i03 s VAL 656 CO 0.54 0.42 0.02 -1.54 0.00 0.00 0.00 175.10 174.55 2i03 n SER 657 N 1.34 3.63 -3.65 3.32 3.41 -1.26 -4.25 113.62 116.15 2i03 n SER 657 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.44 2i03 n SER 657 Cb 0.52 0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 65.04 2i03 n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i03 s ARG 658 N -2.14 0.66 0.54 4.33 1.70 -1.26 0.17 118.95 122.94 2i03 s ARG 658 Ca -0.03 1.13 0.25 0.00 -0.47 0.00 0.00 55.73 56.61 2i03 s ARG 658 Cb 0.02 0.13 1.41 0.00 -0.57 0.00 0.00 34.95 35.93 2i03 s ARG 658 CO 0.23 -0.15 2.01 -1.49 -1.08 0.00 0.00 175.30 174.83 2i03 h TRP 659 N 6.88 0.00 0.00 5.89 4.06 -1.86 -1.49 115.95 129.43 2i03 h TRP 659 Ca -0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.64 2i03 h TRP 659 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 2i03 h TRP 659 CO 0.11 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.38 2i03 n GLU 660 N -4.32 0.14 0.13 0.49 1.02 -1.26 -1.41 120.64 115.43 2i03 n GLU 660 Ca 0.08 0.55 0.10 0.00 -0.02 0.00 0.00 57.16 57.87 2i03 n GLU 660 Cb 0.54 -1.89 0.04 0.00 -0.02 0.00 0.00 31.44 30.10 2i03 n GLU 660 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2i03 h TYR 661 N 0.00 0.00 -3.62 -0.32 0.05 -1.64 -3.30 116.97 108.14 2i03 h TYR 661 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.30 2i03 h TYR 661 Cb 0.12 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.91 2i03 h TYR 661 CO 0.00 0.09 0.16 -0.47 -1.05 0.00 0.00 178.16 176.90 2i03 s TYR 662 N -3.25 3.27 0.60 4.88 5.04 -0.50 -4.82 117.35 122.56 2i03 s TYR 662 Ca 0.01 0.64 -0.19 0.00 -2.44 0.00 0.00 57.07 55.10 2i03 s TYR 662 Cb 0.08 -2.70 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 2i03 s TYR 662 CO 0.76 -0.78 1.22 0.16 -1.34 0.00 0.00 175.55 175.57 2i03 s ASP 663 N -4.29 5.14 0.09 4.32 1.47 -1.26 -0.45 116.67 121.69 2i03 s ASP 663 Ca 0.53 2.42 -0.29 0.00 1.18 0.00 0.00 52.55 56.39 2i03 s ASP 663 Cb -0.10 -2.60 -0.14 0.00 -0.34 0.00 0.00 42.92 39.74 2i03 s ASP 663 CO 0.45 -1.63 1.64 0.77 0.68 0.00 0.00 175.17 177.08 2i03 h SER 664 N 0.88 -0.70 -0.30 2.11 4.64 -1.39 -1.76 113.55 117.03 2i03 h SER 664 Ca -0.51 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2i03 h SER 664 Cb 1.30 0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 63.54 2i03 h SER 664 CO 0.55 -0.40 -0.33 0.58 -0.87 0.00 0.00 176.83 176.35 2i03 h VAL 665 N -0.61 0.24 0.19 0.95 2.07 -1.94 0.24 116.25 117.39 2i03 h VAL 665 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2i03 h VAL 665 Cb 0.53 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2i03 h VAL 665 CO -0.01 0.00 -0.09 0.22 0.02 0.00 0.00 177.57 177.71 2i03 h TYR 666 N -0.31 -0.23 -0.01 1.57 5.03 -1.92 -3.10 116.97 118.00 2i03 h TYR 666 Ca 0.14 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.46 2i03 h TYR 666 Cb 0.54 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.88 2i03 h TYR 666 CO -0.50 0.18 -0.07 1.15 -1.32 0.00 0.00 178.16 177.60 2i03 h THR 667 N -0.78 0.81 0.00 1.81 2.02 -1.19 -2.69 112.91 112.89 2i03 h THR 667 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2i03 h THR 667 Cb 0.52 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2i03 h THR 667 CO 0.04 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 175.59 2i03 h GLU 668 N -0.12 0.00 -0.45 6.66 5.08 -0.67 -0.64 114.58 124.43 2i03 h GLU 668 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2i03 h GLU 668 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2i03 h GLU 668 CO -0.09 0.01 0.27 -0.09 -1.00 0.00 0.00 179.01 178.11 2i03 h ARG 669 N 0.00 0.61 0.00 2.33 2.43 -1.39 0.47 114.38 118.83 2i03 h ARG 669 Ca -0.00 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.96 2i03 h ARG 669 Cb 0.42 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2i03 h ARG 669 CO 0.00 0.43 -1.77 0.66 -1.51 0.00 0.00 179.97 177.78 2i03 n TYR 670 N -4.44 0.00 0.84 2.20 4.01 -1.12 -4.63 117.16 114.02 2i03 n TYR 670 Ca 0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.86 2i03 n TYR 670 Cb 0.08 -0.52 -0.09 0.00 -0.31 0.00 0.00 39.34 38.50 2i03 n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2i03 n MET 671 N -2.31 1.15 0.00 -0.72 2.81 -0.26 0.15 117.12 117.93 2i03 n MET 671 Ca -0.15 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 2i03 n MET 671 Cb 0.74 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 2i03 n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i03 n GLY 672 N 1.41 -0.24 3.88 3.03 0.00 0.15 -4.64 105.19 108.77 2i03 n GLY 672 Ca 0.04 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 2i03 n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i03 s LEU 673 N 0.00 4.28 -1.13 0.99 1.02 -1.26 -4.21 118.68 118.36 2i03 s LEU 673 Ca 0.00 0.78 -0.06 0.00 0.02 0.00 0.00 54.13 54.87 2i03 s LEU 673 Cb 0.00 -3.27 0.04 0.00 0.02 0.00 0.00 46.19 42.97 2i03 s LEU 673 CO 0.00 0.07 2.66 -0.81 0.02 0.00 0.00 176.35 178.30 2i03 n PRO 674 N 0.39 3.85 -4.35 1.29 -0.04 -1.26 -1.95 135.00 132.92 2i03 n PRO 674 Ca -0.04 -2.83 -0.27 0.00 -0.04 0.00 0.00 63.50 60.32 2i03 n PRO 674 Cb 0.52 -2.53 -0.13 0.00 -0.04 0.00 0.00 33.50 31.32 2i03 n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2i03 s THR 675 N -0.52 2.01 0.24 0.52 -4.23 -1.26 -4.66 115.64 107.74 2i03 s THR 675 Ca 0.59 -1.66 0.31 0.00 -1.18 0.00 0.00 61.69 59.75 2i03 s THR 675 Cb 0.23 -1.80 0.31 0.00 1.34 0.00 0.00 72.50 72.58 2i03 s THR 675 CO -0.10 0.03 1.94 1.55 -0.54 0.00 0.00 174.62 177.49 2i03 h PRO 676 N 3.99 0.00 0.00 3.99 0.13 -1.96 0.22 132.00 138.37 2i03 h PRO 676 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2i03 h PRO 676 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2i03 h PRO 676 CO 0.39 0.00 -0.29 0.93 -0.23 0.00 0.00 178.00 178.80 2i03 h GLU 677 N 0.00 0.00 0.00 0.86 3.07 -1.95 -3.45 114.58 113.11 2i03 h GLU 677 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2i03 h GLU 677 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2i03 h GLU 677 CO 0.00 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.14 2i03 n ASP 678 N -2.26 0.00 -0.74 1.42 -0.08 0.74 -5.03 116.55 110.60 2i03 n ASP 678 Ca 0.04 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.38 2i03 n ASP 678 Cb 0.44 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.02 2i03 n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2i03 n ASN 679 N 0.00 1.40 -0.23 1.67 4.05 -0.82 -4.87 115.26 116.46 2i03 n ASN 679 Ca 0.00 -2.96 -0.00 0.00 0.45 0.00 0.00 54.58 52.06 2i03 n ASN 679 Cb 0.00 -0.40 0.11 0.00 1.23 0.00 0.00 39.78 40.72 2i03 n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2i03 h LEU 680 N 0.68 0.46 -0.98 1.20 5.85 -1.55 -2.75 115.31 118.22 2i03 h LEU 680 Ca -0.06 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2i03 h LEU 680 Cb 1.31 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.22 2i03 h LEU 680 CO 0.03 0.28 0.61 0.44 -0.34 0.00 0.00 178.44 179.46 2i03 h ASP 681 N 0.60 0.88 0.89 1.25 3.32 -1.89 -0.65 116.42 120.81 2i03 h ASP 681 Ca 0.31 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.27 2i03 h ASP 681 Cb 0.28 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2i03 h ASP 681 CO -0.23 0.46 -0.71 -0.74 -1.72 0.00 0.00 179.24 176.30 2i03 h HIS 682 N 0.95 0.00 -0.82 4.55 2.76 -1.87 -2.30 115.15 118.41 2i03 h HIS 682 Ca 0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 2i03 h HIS 682 Cb 0.50 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 2i03 h HIS 682 CO -0.01 0.71 0.53 1.88 -1.30 0.00 0.00 177.93 179.73 2i03 h TYR 683 N 0.00 1.06 0.00 5.26 0.05 -0.88 -1.47 116.97 120.99 2i03 h TYR 683 Ca -0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2i03 h TYR 683 Cb 1.35 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2i03 h TYR 683 CO 0.00 0.68 0.00 0.54 -1.05 0.00 0.00 178.16 178.33 2i03 n ARG 684 N -4.48 0.10 0.00 4.88 5.12 -0.65 -3.55 116.66 118.07 2i03 n ARG 684 Ca 0.08 0.09 0.11 0.00 -1.93 0.00 0.00 57.85 56.20 2i03 n ARG 684 Cb 0.03 -1.61 -0.00 0.00 -1.16 0.00 0.00 32.46 29.72 2i03 n ARG 684 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2i03 n ASN 685 N -1.78 1.55 -0.94 0.55 4.13 -0.61 -4.40 115.26 113.76 2i03 n ASN 685 Ca 0.06 -1.24 0.01 0.00 1.68 0.00 0.00 54.58 55.09 2i03 n ASN 685 Cb 0.37 0.62 0.21 0.00 -1.54 0.00 0.00 39.78 39.43 2i03 n ASN 685 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2i03 n SER 686 N -0.62 2.64 -4.88 6.41 3.41 -0.84 -5.02 113.62 114.72 2i03 n SER 686 Ca 0.08 -3.58 -0.30 0.00 -0.26 0.00 0.00 58.87 54.80 2i03 n SER 686 Cb 0.41 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 2i03 n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2i03 s THR 687 N -3.13 4.80 0.11 6.66 -4.23 -1.26 -4.76 115.64 113.83 2i03 s THR 687 Ca 0.42 0.60 -0.08 0.00 -1.18 0.00 0.00 61.69 61.45 2i03 s THR 687 Cb 0.38 -3.72 -0.19 0.00 1.34 0.00 0.00 72.50 70.30 2i03 s THR 687 CO 0.01 -0.47 1.27 0.58 -0.54 0.00 0.00 174.62 175.47 2i03 h VAL 688 N 1.20 1.34 0.00 2.29 2.07 -0.61 -3.31 116.25 119.23 2i03 h VAL 688 Ca -0.47 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 64.74 2i03 h VAL 688 Cb 1.19 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2i03 h VAL 688 CO 0.64 0.70 0.00 0.00 0.02 0.00 0.00 177.57 178.93 2i03 h MET 689 N 0.32 0.00 0.00 1.57 -0.00 -1.91 -1.71 114.93 113.20 2i03 h MET 689 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.58 2i03 h MET 689 Cb 1.59 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.18 2i03 h MET 689 CO 0.18 0.00 -0.12 0.66 -0.00 0.00 0.00 176.91 177.63 2i03 h SER 690 N 0.00 0.00 -0.67 -0.10 4.64 -1.95 -2.83 113.55 112.64 2i03 h SER 690 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2i03 h SER 690 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2i03 h SER 690 CO 0.00 0.12 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 2i03 n ARG 691 N -3.22 2.79 -0.25 4.77 1.74 -0.64 -4.63 116.66 117.22 2i03 n ARG 691 Ca 0.01 -2.51 0.03 0.00 -0.77 0.00 0.00 57.85 54.61 2i03 n ARG 691 Cb 0.41 -1.60 0.13 0.00 -1.02 0.00 0.00 32.46 30.38 2i03 n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i03 h ALA 692 N 4.22 0.66 -0.65 7.54 0.00 -1.55 -2.22 119.26 127.26 2i03 h ALA 692 Ca 0.00 0.25 0.14 0.00 0.00 0.00 0.00 54.91 55.30 2i03 h ALA 692 Cb 1.01 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 19.15 2i03 h ALA 692 CO 0.05 -0.42 0.01 1.49 0.00 0.00 0.00 179.25 180.38 2i03 h GLU 693 N 0.06 0.12 0.00 0.00 4.57 -1.86 -0.79 114.58 116.68 2i03 h GLU 693 Ca 0.38 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 2i03 h GLU 693 Cb 0.64 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2i03 h GLU 693 CO -0.68 0.08 0.02 0.09 -1.18 0.00 0.00 179.01 177.34 2i03 n ASN 694 N -5.28 0.53 0.00 1.04 5.03 -0.84 -1.76 115.26 113.99 2i03 n ASN 694 Ca 0.10 0.74 0.07 0.00 0.87 0.00 0.00 54.58 56.37 2i03 n ASN 694 Cb 0.38 -0.80 0.34 0.00 -1.02 0.00 0.00 39.78 38.67 2i03 n ASN 694 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2i03 n PHE 695 N -2.22 0.00 0.29 3.10 3.01 -0.30 -2.63 117.46 118.71 2i03 n PHE 695 Ca -0.01 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.59 2i03 n PHE 695 Cb 0.05 -0.48 0.87 0.00 -0.01 0.00 0.00 39.48 39.91 2i03 n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2i03 h LYS 696 N 0.00 0.00 -0.36 -1.08 1.57 -1.52 -2.33 116.57 112.85 2i03 h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i03 h LYS 696 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2i03 h LYS 696 CO 0.00 0.02 0.00 1.04 -0.57 0.00 0.00 179.45 179.94 2i03 n GLN 697 N -3.89 1.97 -4.10 3.15 1.13 -1.08 -4.96 117.38 109.61 2i03 n GLN 697 Ca -0.03 -1.49 -0.10 0.00 -1.94 0.00 0.00 57.00 53.44 2i03 n GLN 697 Cb 0.10 -1.36 -0.08 0.00 0.11 0.00 0.00 30.24 29.00 2i03 n GLN 697 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2i03 s VAL 698 N -1.52 0.03 -0.25 5.09 -7.23 -0.88 -4.91 120.40 110.74 2i03 s VAL 698 Ca 0.30 -1.73 -0.09 0.00 -1.81 0.00 0.00 61.98 58.66 2i03 s VAL 698 Cb 0.16 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2i03 s VAL 698 CO 0.22 -0.15 0.12 -1.61 -0.31 0.00 0.00 175.10 173.38 2i03 s GLU 699 N -4.07 3.88 -0.00 4.82 2.02 -0.77 -4.99 118.70 119.59 2i03 s GLU 699 Ca 0.28 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 54.98 2i03 s GLU 699 Cb 0.05 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 2i03 s GLU 699 CO 0.07 -0.06 -0.23 -0.47 0.02 0.00 0.00 175.26 174.59 2i03 s TYR 700 N 1.35 2.06 -0.21 1.61 5.04 -1.26 -0.73 117.35 125.21 2i03 s TYR 700 Ca 0.06 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 2i03 s TYR 700 Cb -0.15 -1.30 0.04 0.00 0.35 0.00 0.00 41.96 40.91 2i03 s TYR 700 CO 0.06 0.00 -0.11 -1.17 -1.34 0.00 0.00 175.55 172.99 2i03 s LEU 701 N -0.72 2.50 -0.25 6.97 0.20 -0.53 -0.97 118.68 125.88 2i03 s LEU 701 Ca 0.09 -0.98 -0.10 0.00 0.69 0.00 0.00 54.13 53.84 2i03 s LEU 701 Cb -0.09 -1.31 -0.04 0.00 -0.43 0.00 0.00 46.19 44.32 2i03 s LEU 701 CO -0.00 -0.15 0.14 -0.22 -0.29 0.00 0.00 176.35 175.83 2i03 s LEU 702 N 1.33 3.87 -0.02 -0.68 0.20 0.16 -1.50 118.68 122.04 2i03 s LEU 702 Ca -0.02 -0.02 0.05 0.00 0.69 0.00 0.00 54.13 54.82 2i03 s LEU 702 Cb -0.17 -2.05 -0.01 0.00 -0.43 0.00 0.00 46.19 43.53 2i03 s LEU 702 CO -0.08 0.01 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.19 2i03 s ILE 703 N 1.40 1.32 -0.28 6.68 1.01 -0.39 -1.57 121.20 129.36 2i03 s ILE 703 Ca 0.06 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 2i03 s ILE 703 Cb -0.15 -1.10 0.09 0.00 0.01 0.00 0.00 42.46 41.31 2i03 s ILE 703 CO 0.06 0.37 0.71 -2.28 0.00 0.00 0.00 174.94 173.81 2i03 s HIS 704 N -0.33 -1.03 0.29 3.97 2.46 -1.03 0.23 115.29 119.85 2i03 s HIS 704 Ca 0.05 2.06 -0.29 0.00 0.47 0.00 0.00 55.06 57.35 2i03 s HIS 704 Cb -0.07 0.62 -0.10 0.00 -0.13 0.00 0.00 32.58 32.90 2i03 s HIS 704 CO -0.00 -0.51 1.20 0.20 -2.47 0.00 0.00 174.74 173.15 2i03 s GLY 705 N 1.65 3.00 0.37 1.59 0.00 -1.26 -2.38 107.32 110.29 2i03 s GLY 705 Ca -0.10 1.06 0.20 0.00 0.00 0.00 0.00 44.72 45.88 2i03 s GLY 705 CO -0.20 1.71 1.64 -0.91 0.00 0.00 0.00 173.10 175.34 2i03 h THR 706 N 3.12 0.66 -0.95 0.90 1.35 -0.91 -3.17 112.91 113.90 2i03 h THR 706 Ca -0.47 -1.59 -0.48 0.00 -0.55 0.00 0.00 66.41 63.32 2i03 h THR 706 Cb 1.22 2.07 -0.29 0.00 -1.73 0.00 0.00 68.15 69.42 2i03 h THR 706 CO 0.67 0.32 0.61 0.00 -0.25 0.00 0.00 175.52 176.87 2i03 n ALA 707 N -2.22 5.44 -2.24 6.62 0.00 0.35 -4.67 120.51 123.79 2i03 n ALA 707 Ca 0.01 -2.77 -0.41 0.00 0.00 0.00 0.00 53.44 50.27 2i03 n ALA 707 Cb 0.57 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2i03 n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2i03 s ASP 708 N -1.21 5.93 0.24 0.00 -1.08 -1.17 -4.23 116.67 115.15 2i03 s ASP 708 Ca 0.55 0.54 0.25 0.00 -0.52 0.00 0.00 52.55 53.37 2i03 s ASP 708 Cb 0.46 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 40.09 2i03 s ASP 708 CO 0.11 -1.82 1.72 -2.24 0.52 0.00 0.00 175.17 173.46 2i03 h ASP 709 N 12.14 0.00 0.00 -0.34 2.03 -1.91 -3.29 116.42 125.05 2i03 h ASP 709 Ca -0.28 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2i03 h ASP 709 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2i03 h ASP 709 CO 1.15 0.01 0.00 -3.20 -1.03 0.00 0.00 179.24 176.17 2i03 n ASN 710 N -2.38 0.00 -4.30 4.15 2.85 -1.26 -4.74 115.26 109.57 2i03 n ASN 710 Ca 0.05 0.16 -0.46 0.00 -0.11 0.00 0.00 54.58 54.23 2i03 n ASN 710 Cb 0.45 -0.38 -0.05 0.00 1.24 0.00 0.00 39.78 41.04 2i03 n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2i03 s VAL 711 N -0.76 5.15 0.42 3.44 1.01 -1.26 -4.84 120.40 123.57 2i03 s VAL 711 Ca 0.00 -1.54 -0.26 0.00 0.00 0.00 0.00 61.98 60.18 2i03 s VAL 711 Cb 0.00 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 2i03 s VAL 711 CO 0.00 -0.87 1.45 -1.00 0.00 0.00 0.00 175.10 174.68 2i03 s HIS 712 N 1.56 2.52 0.52 5.22 3.76 -1.24 -4.71 115.29 122.92 2i03 s HIS 712 Ca 0.03 1.23 0.34 0.00 -0.15 0.00 0.00 55.06 56.51 2i03 s HIS 712 Cb -0.29 -3.96 1.49 0.00 1.11 0.00 0.00 32.58 30.93 2i03 s HIS 712 CO 0.03 -2.95 1.80 0.35 -0.85 0.00 0.00 174.74 173.12 2i03 h PHE 713 N 2.63 0.09 -0.94 1.40 3.57 -1.79 0.12 116.94 122.01 2i03 h PHE 713 Ca -0.51 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.28 2i03 h PHE 713 Cb 1.25 -0.03 -0.15 0.00 2.79 0.00 0.00 35.95 39.82 2i03 h PHE 713 CO 0.51 0.00 0.36 0.37 -2.23 0.00 0.00 178.31 177.33 2i03 h GLN 714 N 0.05 0.21 -0.89 1.11 4.15 -1.94 0.81 115.11 118.60 2i03 h GLN 714 Ca 0.57 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.99 2i03 h GLN 714 Cb 2.16 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 29.75 2i03 h GLN 714 CO -0.05 0.14 0.59 1.96 -1.93 0.00 0.00 178.83 179.53 2i03 h GLN 715 N 0.22 1.14 0.00 1.69 4.20 -1.08 0.51 115.11 121.79 2i03 h GLN 715 Ca 0.65 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 59.12 2i03 h GLN 715 Cb 1.42 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 2i03 h GLN 715 CO -0.67 0.76 -0.82 0.77 -0.67 0.00 0.00 178.83 178.19 2i03 h SER 716 N 1.18 0.00 0.22 1.46 0.02 -1.26 -2.97 113.55 112.19 2i03 h SER 716 Ca 0.34 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2i03 h SER 716 Cb -0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2i03 h SER 716 CO -0.09 0.82 -0.26 0.00 -1.14 0.00 0.00 176.83 176.16 2i03 h ALA 717 N 1.18 1.48 0.00 3.77 0.00 0.14 -0.27 119.26 125.56 2i03 h ALA 717 Ca -0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 2i03 h ALA 717 Cb 1.57 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2i03 h ALA 717 CO 0.11 0.38 -1.12 1.96 0.00 0.00 0.00 179.25 180.58 2i03 h GLN 718 N 0.07 0.00 -0.04 0.00 1.08 -0.93 -2.90 115.11 112.39 2i03 h GLN 718 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2i03 h GLN 718 Cb 0.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2i03 h GLN 718 CO 0.04 0.88 -0.01 0.82 -0.95 0.00 0.00 178.83 179.60 2i03 h ILE 719 N 0.00 1.30 -0.77 2.54 2.04 -1.26 -2.03 117.51 119.33 2i03 h ILE 719 Ca -0.06 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.89 2i03 h ILE 719 Cb 1.80 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 39.67 2i03 h ILE 719 CO 0.12 0.25 0.51 0.77 0.00 0.00 0.00 178.15 179.80 2i03 h SER 720 N -0.27 0.87 -0.45 1.72 4.64 -1.16 -2.00 113.55 116.89 2i03 h SER 720 Ca 0.01 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 2i03 h SER 720 Cb 0.41 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2i03 h SER 720 CO 0.00 0.62 -0.07 0.50 -0.87 0.00 0.00 176.83 177.01 2i03 h LYS 721 N 1.02 0.90 -0.33 4.77 3.64 -1.39 -0.64 116.57 124.54 2i03 h LYS 721 Ca 0.29 -0.30 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2i03 h LYS 721 Cb -0.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2i03 h LYS 721 CO -0.07 0.94 -0.23 0.00 -2.27 0.00 0.00 179.45 177.83 2i03 h ALA 722 N 1.09 0.98 -0.31 5.00 0.00 -0.83 -1.05 119.26 124.15 2i03 h ALA 722 Ca 0.14 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2i03 h ALA 722 Cb 0.59 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2i03 h ALA 722 CO 0.04 0.60 -0.50 -0.07 0.00 0.00 0.00 179.25 179.31 2i03 h LEU 723 N 0.57 0.96 -0.12 0.00 3.38 -1.10 -2.38 115.31 116.61 2i03 h LEU 723 Ca 0.08 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2i03 h LEU 723 Cb 0.70 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2i03 h LEU 723 CO 0.05 1.29 0.01 0.58 0.09 0.00 0.00 178.44 180.46 2i03 h VAL 724 N 0.68 1.23 0.00 1.22 2.07 -1.00 0.15 116.25 120.60 2i03 h VAL 724 Ca 0.03 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2i03 h VAL 724 Cb 1.10 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2i03 h VAL 724 CO 0.11 0.21 0.00 0.44 0.02 0.00 0.00 177.57 178.36 2i03 h ASP 725 N -0.03 0.00 -0.01 0.57 5.19 -1.15 -1.07 116.42 119.92 2i03 h ASP 725 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2i03 h ASP 725 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 2i03 h ASP 725 CO 0.00 0.00 -0.23 0.55 -3.12 0.00 0.00 179.24 176.45 2i03 n VAL 726 N -2.35 0.00 -1.62 -1.35 3.14 -0.90 -5.00 118.33 110.25 2i03 n VAL 726 Ca -0.01 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 2i03 n VAL 726 Cb 0.09 1.18 0.00 0.00 -1.06 0.00 0.00 33.84 34.05 2i03 n VAL 726 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i03 n GLY 727 N 0.99 0.38 3.76 7.55 0.00 -0.40 -4.97 105.19 112.49 2i03 n GLY 727 Ca 0.06 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 2i03 n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i03 s VAL 728 N -2.00 5.32 0.19 1.61 1.01 0.43 -5.02 120.40 121.94 2i03 s VAL 728 Ca 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 2i03 s VAL 728 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2i03 s VAL 728 CO 0.00 0.44 0.55 -0.62 0.00 0.00 0.00 175.10 175.48 2i03 s ASP 729 N 0.13 6.72 0.25 3.32 2.15 -1.26 -4.43 116.67 123.55 2i03 s ASP 729 Ca 0.16 1.01 -0.21 0.00 0.43 0.00 0.00 52.55 53.94 2i03 s ASP 729 Cb -0.13 -2.26 0.06 0.00 -0.30 0.00 0.00 42.92 40.29 2i03 s ASP 729 CO 0.04 0.01 0.90 0.72 -0.17 0.00 0.00 175.17 176.67 2i03 s PHE 730 N -1.65 -0.00 0.06 -5.34 -0.71 -1.26 -4.74 117.98 104.33 2i03 s PHE 730 Ca 0.43 -0.46 0.04 0.00 -1.04 0.00 0.00 56.93 55.90 2i03 s PHE 730 Cb -0.13 0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 42.37 2i03 s PHE 730 CO 0.20 -1.12 -0.02 -0.65 -1.34 0.00 0.00 175.22 172.29 2i03 s GLN 731 N -2.75 2.57 0.25 1.99 -1.52 -0.14 -5.03 119.66 115.04 2i03 s GLN 731 Ca 0.16 -0.78 0.01 0.00 -1.95 0.00 0.00 55.36 52.80 2i03 s GLN 731 Cb -0.03 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 30.17 2i03 s GLN 731 CO 0.06 0.57 0.20 0.00 -0.25 0.00 0.00 175.29 175.87 2i03 s ALA 732 N -1.21 1.33 -0.30 6.09 0.00 -1.26 -0.66 121.76 125.75 2i03 s ALA 732 Ca 0.23 -1.79 -0.18 0.00 0.00 0.00 0.00 51.96 50.21 2i03 s ALA 732 Cb -0.12 1.40 0.19 0.00 0.00 0.00 0.00 23.12 24.60 2i03 s ALA 732 CO 0.15 -0.63 1.25 1.41 0.00 0.00 0.00 175.76 177.94 2i03 s MET 733 N -3.90 0.07 0.27 0.00 0.00 -0.61 -4.88 119.30 110.24 2i03 s MET 733 Ca 0.39 0.15 0.07 0.00 0.00 0.00 0.00 55.69 56.30 2i03 s MET 733 Cb 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 34.83 34.93 2i03 s MET 733 CO 0.17 -0.02 0.27 1.67 0.00 0.00 0.00 175.02 177.11 2i03 s TRP 734 N 1.94 3.16 -0.26 4.11 -2.14 -1.26 -2.47 118.94 122.02 2i03 s TRP 734 Ca -0.01 -0.12 0.00 0.00 2.66 0.00 0.00 56.10 58.63 2i03 s TRP 734 Cb -0.01 -1.54 0.08 0.00 -3.10 0.00 0.00 33.47 28.89 2i03 s TRP 734 CO -0.15 0.41 0.02 0.71 -2.66 0.00 0.00 176.95 175.28 2i03 s TYR 735 N -2.12 2.12 0.18 1.66 2.02 -1.00 -4.92 117.35 115.28 2i03 s TYR 735 Ca 0.35 -1.74 -0.30 0.00 -0.37 0.00 0.00 57.07 55.01 2i03 s TYR 735 Cb -0.08 -1.68 -0.09 0.00 -0.40 0.00 0.00 41.96 39.71 2i03 s TYR 735 CO 0.27 -0.80 1.36 0.95 -1.57 0.00 0.00 175.55 175.76 2i03 s THR 736 N 1.48 3.14 0.00 -0.71 -4.23 -1.26 -0.96 115.64 113.11 2i03 s THR 736 Ca 0.02 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2i03 s THR 736 Cb -0.18 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2i03 s THR 736 CO -0.12 0.11 0.00 0.47 -0.54 0.00 0.00 174.62 174.54 2i03 n ASP 737 N 3.06 -4.77 -4.87 3.99 8.00 -1.26 -4.88 116.55 115.83 2i03 n ASP 737 Ca 0.08 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.25 2i03 n ASP 737 Cb 0.42 -2.40 -0.05 0.00 -0.02 0.00 0.00 41.12 39.07 2i03 n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2i03 s GLU 738 N -1.26 3.81 0.00 -1.24 0.41 -1.06 -4.64 118.70 114.72 2i03 s GLU 738 Ca 0.00 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 2i03 s GLU 738 Cb 0.00 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.53 2i03 s GLU 738 CO 0.00 0.43 0.00 -0.40 -0.49 0.00 0.00 175.26 174.80 2i03 n ASP 739 N 0.34 0.05 0.05 -0.19 5.68 -1.26 -0.49 116.55 120.73 2i03 n ASP 739 Ca -0.03 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.36 2i03 n ASP 739 Cb 0.52 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.05 2i03 n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2i03 h HIS 740 N 0.00 0.26 0.00 2.11 -0.00 -1.91 -2.69 115.15 112.92 2i03 h HIS 740 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2i03 h HIS 740 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 2i03 h HIS 740 CO 0.00 0.14 -0.73 0.78 -0.00 0.00 0.00 177.93 178.13 2i03 h GLY 741 N 0.26 0.00 -7.01 5.26 0.00 -1.99 -3.48 103.07 96.12 2i03 h GLY 741 Ca 0.17 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.89 2i03 h GLY 741 CO -0.03 0.00 -0.95 1.39 0.00 0.00 0.00 176.54 176.94 2i03 n ILE 742 N -2.47 -1.25 1.00 2.60 5.41 -1.01 -4.82 119.36 118.82 2i03 n ILE 742 Ca 0.02 -0.47 0.12 0.00 1.00 0.00 0.00 62.75 63.41 2i03 n ILE 742 Cb 0.50 -1.22 0.07 0.00 -0.71 0.00 0.00 39.64 38.28 2i03 n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i03 n ALA 743 N -4.54 2.79 -1.68 -1.39 0.00 -1.26 -3.45 120.51 110.98 2i03 n ALA 743 Ca -0.31 -0.67 -0.38 0.00 0.00 0.00 0.00 53.44 52.08 2i03 n ALA 743 Cb 0.69 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 19.38 2i03 n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2i03 n SER 744 N 0.94 1.57 -0.17 0.00 3.41 -1.26 -4.63 113.62 113.48 2i03 n SER 744 Ca 0.13 0.85 -0.07 0.00 -0.26 0.00 0.00 58.87 59.52 2i03 n SER 744 Cb 0.56 -1.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.02 2i03 n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2i03 h SER 745 N 0.67 -1.19 -0.32 4.04 0.87 -1.99 0.16 113.55 115.80 2i03 h SER 745 Ca -0.50 0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 2i03 h SER 745 Cb 1.35 0.57 -0.01 0.00 -0.44 0.00 0.00 62.40 63.86 2i03 h SER 745 CO 0.53 -0.32 0.01 0.71 -0.53 0.00 0.00 176.83 177.22 2i03 h THR 746 N -0.22 1.26 -0.48 2.23 1.35 -1.98 -2.35 112.91 112.73 2i03 h THR 746 Ca 0.20 -0.94 -0.02 0.00 -0.55 0.00 0.00 66.41 65.10 2i03 h THR 746 Cb 0.55 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 2i03 h THR 746 CO -0.62 0.30 0.22 0.00 -0.25 0.00 0.00 175.52 175.17 2i03 h ALA 747 N 0.85 0.61 -0.05 6.62 0.00 -1.79 -0.36 119.26 125.14 2i03 h ALA 747 Ca 0.09 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2i03 h ALA 747 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2i03 h ALA 747 CO 0.02 0.19 -0.08 1.25 0.00 0.00 0.00 179.25 180.63 2i03 h HIS 748 N 0.62 -0.19 -0.70 0.00 2.76 -0.68 0.12 115.15 117.09 2i03 h HIS 748 Ca 0.16 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2i03 h HIS 748 Cb 0.14 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 2i03 h HIS 748 CO -0.00 -0.12 0.38 1.96 -1.30 0.00 0.00 177.93 178.85 2i03 h GLN 749 N -0.11 0.97 -0.22 5.26 4.20 -1.28 -2.97 115.11 120.96 2i03 h GLN 749 Ca 0.05 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2i03 h GLN 749 Cb 0.18 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2i03 h GLN 749 CO -0.12 0.73 0.07 1.25 -0.67 0.00 0.00 178.83 180.10 2i03 h HIS 750 N 0.96 0.36 -0.35 2.96 2.76 -0.54 -2.33 115.15 118.96 2i03 h HIS 750 Ca 0.24 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.30 2i03 h HIS 750 Cb 0.04 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2i03 h HIS 750 CO -0.00 0.41 -0.13 0.97 -1.30 0.00 0.00 177.93 177.88 2i03 h ILE 751 N 0.20 1.25 0.00 6.26 2.10 -0.75 -0.75 117.51 125.81 2i03 h ILE 751 Ca 0.07 -1.13 -0.12 0.00 1.08 0.00 0.00 64.86 64.77 2i03 h ILE 751 Cb 0.22 1.12 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 2i03 h ILE 751 CO -0.00 0.37 -0.57 1.88 -1.08 0.00 0.00 178.15 178.75 2i03 h TYR 752 N 0.57 0.00 -0.20 2.19 0.05 -1.52 -0.55 116.97 117.51 2i03 h TYR 752 Ca 0.10 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.76 2i03 h TYR 752 Cb 0.56 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 2i03 h TYR 752 CO 0.02 0.57 -0.35 1.15 -1.05 0.00 0.00 178.16 178.51 2i03 h THR 753 N 0.00 1.33 -0.22 -2.88 2.02 -1.09 -1.20 112.91 110.88 2i03 h THR 753 Ca -0.01 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 2i03 h THR 753 Cb 1.17 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 2i03 h THR 753 CO 0.07 0.49 0.09 -0.74 0.37 0.00 0.00 175.52 175.80 2i03 h HIS 754 N 0.28 0.33 -0.54 3.16 -0.00 -0.99 -2.36 115.15 115.02 2i03 h HIS 754 Ca 0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2i03 h HIS 754 Cb 0.94 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.23 2i03 h HIS 754 CO 0.09 0.36 0.14 0.52 -0.00 0.00 0.00 177.93 179.04 2i03 h MET 755 N 0.21 0.82 -0.45 5.26 2.07 -1.10 -2.23 114.93 119.50 2i03 h MET 755 Ca 0.07 -0.16 -0.01 0.00 -2.07 0.00 0.00 59.70 57.53 2i03 h MET 755 Cb 0.16 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.74 2i03 h MET 755 CO -0.01 0.73 0.22 0.77 1.07 0.00 0.00 176.91 179.69 2i03 h SER 756 N 0.79 0.58 -0.60 1.22 0.02 -0.97 -1.08 113.55 113.51 2i03 h SER 756 Ca 0.18 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2i03 h SER 756 Cb 0.27 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 2i03 h SER 756 CO -0.00 0.54 0.37 0.45 -1.14 0.00 0.00 176.83 177.04 2i03 h HIS 757 N 0.58 0.69 -0.03 3.45 3.86 -1.17 0.40 115.15 122.94 2i03 h HIS 757 Ca 0.15 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2i03 h HIS 757 Cb 0.10 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 2i03 h HIS 757 CO -0.01 0.40 0.02 0.35 0.86 0.00 0.00 177.93 179.54 2i03 h PHE 758 N 0.73 0.04 -0.15 2.45 3.57 -1.03 -0.26 116.94 122.28 2i03 h PHE 758 Ca 0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2i03 h PHE 758 Cb 0.01 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2i03 h PHE 758 CO -0.05 0.05 0.06 0.82 -2.23 0.00 0.00 178.31 176.96 2i03 h ILE 759 N 0.01 1.15 -0.36 1.41 1.08 -1.01 -0.43 117.51 119.36 2i03 h ILE 759 Ca 0.01 -0.46 0.07 0.00 -0.39 0.00 0.00 64.86 64.09 2i03 h ILE 759 Cb 0.03 1.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 2i03 h ILE 759 CO -0.00 0.14 -0.04 0.11 -0.69 0.00 0.00 178.15 177.67 2i03 h LYS 760 N 0.09 0.05 -0.41 2.37 1.57 -0.78 0.28 116.57 119.73 2i03 h LYS 760 Ca 0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2i03 h LYS 760 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2i03 h LYS 760 CO -0.00 0.03 0.27 0.37 -0.57 0.00 0.00 179.45 179.54 2i03 h GLN 761 N 0.05 0.55 -0.77 3.15 -0.00 -0.90 0.37 115.11 117.56 2i03 h GLN 761 Ca 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 2i03 h GLN 761 Cb 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 27.48 27.58 2i03 h GLN 761 CO -0.33 0.38 0.49 0.00 0.00 0.00 0.00 178.83 179.36 2i03 n PHE 763 N -4.40 0.47 0.76 0.00 3.72 0.02 -5.03 117.46 113.00 2i03 n PHE 763 Ca 0.08 0.14 0.09 0.00 -0.05 0.00 0.00 57.45 57.71 2i03 n PHE 763 Cb 0.05 -0.62 0.08 0.00 -0.94 0.00 0.00 39.48 38.05 2i03 n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14