#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i13 s VAL 8 N 0.00 0.95 -0.07 12.58 1.01 -1.26 -0.76 120.40 132.85 3i13 s VAL 8 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3i13 s VAL 8 Cb 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.45 3i13 s VAL 8 CO 0.00 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.64 3i13 s ILE 9 N 1.18 1.45 0.23 2.22 1.01 0.12 -4.97 121.20 122.45 3i13 s ILE 9 Ca -0.05 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.00 3i13 s ILE 9 Cb -0.14 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3i13 s ILE 9 CO -0.02 0.42 0.05 -0.54 0.00 0.00 0.00 174.94 174.86 3i13 s LYS 10 N 0.42 2.51 0.36 2.79 3.01 -1.26 -0.40 119.74 127.18 3i13 s LYS 10 Ca -0.13 -1.20 -0.06 0.00 -1.01 0.00 0.00 55.97 53.56 3i13 s LYS 10 Cb -0.15 -2.35 0.09 0.00 -1.01 0.00 0.00 37.83 34.41 3i13 s LYS 10 CO 0.05 0.41 0.44 0.27 0.51 0.00 0.00 175.35 177.02 3i13 n ASN 11 N -0.69 -0.36 -0.27 2.83 2.04 0.63 -4.99 115.26 114.44 3i13 n ASN 11 Ca -0.08 -1.04 0.04 0.00 -0.44 0.00 0.00 54.58 53.06 3i13 n ASN 11 Cb 0.57 -0.35 0.13 0.00 -2.53 0.00 0.00 39.78 37.60 3i13 n ASN 11 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3i13 h GLU 12 N 0.00 0.03 0.00 -3.83 4.57 -2.01 -3.41 114.58 109.93 3i13 h GLU 12 Ca -0.15 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3i13 h GLU 12 Cb 0.42 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3i13 h GLU 12 CO 0.10 0.02 0.00 2.41 -1.18 0.00 0.00 179.01 180.36 3i13 n THR 13 N -5.46 0.00 0.64 0.32 -1.04 -1.26 -5.01 114.28 102.46 3i13 n THR 13 Ca 0.13 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.24 3i13 n THR 13 Cb 0.44 -1.12 0.27 0.00 -1.82 0.00 0.00 70.33 68.10 3i13 n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i13 n GLY 14 N 5.00 1.13 0.33 3.41 0.00 -1.26 -4.63 105.19 109.16 3i13 n GLY 14 Ca 0.00 -0.56 0.20 0.00 0.00 0.00 0.00 46.02 45.66 3i13 n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i13 h THR 15 N 3.16 0.30 -3.36 2.61 1.35 -1.94 -3.42 112.91 111.62 3i13 h THR 15 Ca 0.00 -0.10 -0.46 0.00 -0.55 0.00 0.00 66.41 65.30 3i13 h THR 15 Cb 0.71 -0.01 -0.35 0.00 -1.73 0.00 0.00 68.15 66.76 3i13 h THR 15 CO 0.00 0.05 -0.79 -0.63 -0.25 0.00 0.00 175.52 173.90 3i13 s ILE 16 N -5.76 0.75 -0.03 6.82 1.01 -1.26 -1.86 121.20 120.87 3i13 s ILE 16 Ca -0.11 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3i13 s ILE 16 Cb 0.29 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 3i13 s ILE 16 CO 0.78 0.29 -0.16 -0.55 0.00 0.00 0.00 174.94 175.31 3i13 s SER 17 N 1.21 1.95 -0.00 3.58 0.15 0.02 -0.27 113.70 120.34 3i13 s SER 17 Ca -0.06 -0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.36 3i13 s SER 17 Cb -0.14 -0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.72 3i13 s SER 17 CO -0.02 0.16 -0.23 0.27 1.20 0.00 0.00 173.24 174.62 3i13 s ILE 18 N -0.08 2.31 -0.07 6.45 -4.36 0.46 -0.17 121.20 125.74 3i13 s ILE 18 Ca -0.00 -1.13 -0.00 0.00 -0.26 0.00 0.00 60.65 59.25 3i13 s ILE 18 Cb -0.09 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.78 3i13 s ILE 18 CO 0.01 0.50 -0.04 -0.55 0.24 0.00 0.00 174.94 175.10 3i13 s SER 19 N -0.89 1.57 -0.05 4.36 0.15 0.40 -0.70 113.70 118.53 3i13 s SER 19 Ca 0.11 -0.17 -0.30 0.00 0.70 0.00 0.00 55.95 56.29 3i13 s SER 19 Cb -0.10 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.59 3i13 s SER 19 CO 0.01 -0.12 1.29 -1.58 1.20 0.00 0.00 173.24 174.04 3i13 s GLN 20 N 1.49 4.31 -0.13 5.44 0.74 0.06 -0.57 119.66 130.99 3i13 s GLN 20 Ca -0.01 1.78 -0.11 0.00 0.05 0.00 0.00 55.36 57.07 3i13 s GLN 20 Cb -0.13 -3.61 -0.25 0.00 1.10 0.00 0.00 33.01 30.12 3i13 s GLN 20 CO -0.04 -0.54 0.37 -0.07 -0.55 0.00 0.00 175.29 174.46 3i13 h LEU 21 N 8.54 0.34 0.00 3.68 3.38 -0.93 -3.41 115.31 126.92 3i13 h LEU 21 Ca -0.34 -0.85 -0.04 0.00 0.09 0.00 0.00 57.88 56.74 3i13 h LEU 21 Cb 1.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3i13 h LEU 21 CO 0.90 1.76 0.03 -0.46 0.09 0.00 0.00 178.44 180.76 3i13 n ASN 22 N -3.73 -0.56 -0.35 -0.43 0.23 -0.81 -4.98 115.26 104.63 3i13 n ASN 22 Ca -0.31 -1.50 0.26 0.00 -0.53 0.00 0.00 54.58 52.49 3i13 n ASN 22 Cb 0.96 0.96 0.53 0.00 -2.08 0.00 0.00 39.78 40.15 3i13 n ASN 22 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3i13 h LYS 23 N 0.00 0.32 0.00 -3.83 5.09 -2.01 -2.55 116.57 113.58 3i13 h LYS 23 Ca -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.63 3i13 h LYS 23 Cb 0.36 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.61 3i13 h LYS 23 CO 0.12 0.21 0.00 0.09 -2.09 0.00 0.00 179.45 177.78 3i13 n ASN 24 N -4.68 1.54 -3.80 7.07 5.03 -1.26 -4.95 115.26 114.21 3i13 n ASN 24 Ca 0.28 -1.72 -0.24 0.00 0.87 0.00 0.00 54.58 53.78 3i13 n ASN 24 Cb 1.00 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.58 3i13 n ASN 24 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3i13 s VAL 25 N -0.72 0.53 0.12 2.41 1.01 -0.96 -0.45 120.40 122.34 3i13 s VAL 25 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.10 3i13 s VAL 25 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3i13 s VAL 25 CO 0.00 0.27 -0.26 0.26 0.00 0.00 0.00 175.10 175.37 3i13 s TRP 26 N 1.91 2.23 -0.14 5.22 0.52 -0.37 -0.19 118.94 128.12 3i13 s TRP 26 Ca 0.05 -0.39 -0.19 0.00 0.02 0.00 0.00 56.10 55.59 3i13 s TRP 26 Cb -0.12 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 3i13 s TRP 26 CO -0.06 0.31 0.52 0.08 0.02 0.00 0.00 176.95 177.81 3i13 s VAL 27 N -1.06 5.15 -0.08 4.03 1.01 0.26 -0.33 120.40 129.38 3i13 s VAL 27 Ca 0.13 1.01 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 3i13 s VAL 27 Cb -0.10 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3i13 s VAL 27 CO 0.06 0.27 0.29 -1.38 0.00 0.00 0.00 175.10 174.34 3i13 s HIS 28 N 0.96 3.62 -0.06 5.22 -3.43 -0.14 -0.46 115.29 121.00 3i13 s HIS 28 Ca 0.27 0.75 0.02 0.00 -0.80 0.00 0.00 55.06 55.29 3i13 s HIS 28 Cb -0.15 -2.19 0.02 0.00 -1.43 0.00 0.00 32.58 28.83 3i13 s HIS 28 CO 0.11 0.58 -0.09 0.99 -2.00 0.00 0.00 174.74 174.32 3i13 s THR 29 N -0.69 0.94 0.03 -5.38 2.01 0.77 -0.21 115.64 113.10 3i13 s THR 29 Ca 0.19 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.90 3i13 s THR 29 Cb -0.14 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 3i13 s THR 29 CO 0.08 0.32 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.54 3i13 s GLU 30 N 0.83 1.22 0.16 4.92 8.01 -0.25 -0.80 118.70 132.78 3i13 s GLU 30 Ca -0.12 -0.80 -0.03 0.00 0.01 0.00 0.00 54.97 54.03 3i13 s GLU 30 Cb -0.15 -1.27 -0.05 0.00 -4.31 0.00 0.00 34.13 28.35 3i13 s GLU 30 CO 0.02 0.33 0.37 -0.48 0.01 0.00 0.00 175.26 175.51 3i13 s LEU 31 N -0.98 4.26 0.00 1.80 -0.00 -0.78 -1.17 118.68 121.80 3i13 s LEU 31 Ca 0.05 0.52 0.00 0.00 -0.00 0.00 0.00 54.13 54.71 3i13 s LEU 31 Cb -0.08 -3.26 0.00 0.00 -0.00 0.00 0.00 46.19 42.85 3i13 s LEU 31 CO 0.01 0.03 0.00 0.52 -0.00 0.00 0.00 176.35 176.91 3i13 n VAL 39 N -0.11 0.00 -2.12 1.48 0.31 -1.26 -4.93 118.33 111.70 3i13 n VAL 39 Ca -0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.98 3i13 n VAL 39 Cb 0.52 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.44 3i13 n VAL 39 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i13 s PRO 40 N 0.00 3.75 -0.08 5.55 0.04 -1.26 -5.08 135.00 137.91 3i13 s PRO 40 Ca 0.00 0.86 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 3i13 s PRO 40 Cb 0.00 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.46 3i13 s PRO 40 CO 0.00 -0.44 0.22 0.45 0.04 0.00 0.00 177.00 177.26 3i13 s SER 41 N -3.61 -0.22 0.14 6.66 0.15 -0.32 -4.71 113.70 111.78 3i13 s SER 41 Ca 0.57 0.44 0.07 0.00 0.70 0.00 0.00 55.95 57.73 3i13 s SER 41 Cb -0.11 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 3i13 s SER 41 CO 0.43 -0.10 -0.02 0.20 1.20 0.00 0.00 173.24 174.95 3i13 s ASN 42 N 0.42 4.74 0.29 5.45 0.01 0.20 -1.09 114.94 124.96 3i13 s ASN 42 Ca -0.02 -0.34 -0.02 0.00 -0.71 0.00 0.00 52.86 51.77 3i13 s ASN 42 Cb -0.04 -1.02 0.01 0.00 0.41 0.00 0.00 41.25 40.61 3i13 s ASN 42 CO -0.02 0.13 0.41 0.61 -1.51 0.00 0.00 177.10 176.72 3i13 n GLY 43 N 0.25 2.25 3.66 0.66 0.00 0.70 -4.82 105.19 107.89 3i13 n GLY 43 Ca -0.11 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 3i13 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i13 s LEU 44 N 0.00 3.29 -0.17 0.99 1.43 -0.47 -0.97 118.68 122.77 3i13 s LEU 44 Ca 0.24 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3i13 s LEU 44 Cb -0.01 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3i13 s LEU 44 CO 0.17 0.08 -0.16 -0.69 0.23 0.00 0.00 176.35 175.97 3i13 s VAL 45 N -1.81 2.44 -0.24 -1.59 1.01 0.55 -1.18 120.40 119.57 3i13 s VAL 45 Ca 0.28 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3i13 s VAL 45 Cb -0.09 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3i13 s VAL 45 CO 0.19 0.51 0.02 -0.76 0.00 0.00 0.00 175.10 175.06 3i13 s LEU 46 N 1.12 3.24 -0.58 3.92 1.43 0.85 -1.23 118.68 127.43 3i13 s LEU 46 Ca 0.01 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 3i13 s LEU 46 Cb -0.14 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.33 3i13 s LEU 46 CO -0.06 -0.05 0.76 0.21 0.23 0.00 0.00 176.35 177.44 3i13 s ASN 47 N 1.53 6.21 0.42 2.29 2.47 0.40 -1.34 114.94 126.92 3i13 s ASN 47 Ca 0.05 -1.05 0.07 0.00 0.42 0.00 0.00 52.86 52.35 3i13 s ASN 47 Cb -0.15 -2.34 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 3i13 s ASN 47 CO 0.00 -1.13 0.22 0.42 -3.72 0.00 0.00 177.10 172.89 3i13 s THR 48 N 3.12 2.34 -0.30 -5.21 -4.23 -0.80 -4.80 115.64 105.75 3i13 s THR 48 Ca 0.17 -1.63 0.27 0.00 -1.18 0.00 0.00 61.69 59.32 3i13 s THR 48 Cb -0.20 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 71.01 3i13 s THR 48 CO 0.10 0.00 1.77 0.77 -0.54 0.00 0.00 174.62 176.73 3i13 h SER 49 N 1.34 0.00 -0.11 3.99 4.64 -1.94 -2.98 113.55 118.49 3i13 h SER 49 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3i13 h SER 49 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3i13 h SER 49 CO 0.68 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.93 3i13 n LYS 50 N -2.88 2.31 0.00 4.77 4.01 -1.26 -4.98 118.16 120.13 3i13 n LYS 50 Ca 0.03 -1.92 0.00 0.00 -0.51 0.00 0.00 58.31 55.91 3i13 n LYS 50 Cb 0.40 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.45 3i13 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i13 n GLY 51 N 1.37 1.02 3.84 0.72 0.00 -1.13 -4.92 105.19 106.09 3i13 n GLY 51 Ca 0.16 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 3i13 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i13 s LEU 52 N 0.00 4.47 -0.07 0.99 1.43 0.10 -1.91 118.68 123.70 3i13 s LEU 52 Ca 0.00 0.95 0.05 0.00 -1.03 0.00 0.00 54.13 54.10 3i13 s LEU 52 Cb 0.00 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 3i13 s LEU 52 CO 0.00 0.33 -0.24 -0.69 0.23 0.00 0.00 176.35 175.98 3i13 s VAL 53 N -1.08 1.97 -0.09 -1.59 1.01 -0.45 -1.20 120.40 118.97 3i13 s VAL 53 Ca 0.23 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3i13 s VAL 53 Cb -0.17 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3i13 s VAL 53 CO 0.13 0.55 0.04 -0.76 0.00 0.00 0.00 175.10 175.05 3i13 s LEU 54 N 0.03 3.78 -0.40 3.92 1.43 -0.55 -0.11 118.68 126.78 3i13 s LEU 54 Ca -0.09 0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 3i13 s LEU 54 Cb -0.15 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3i13 s LEU 54 CO 0.05 0.38 0.44 -0.69 0.23 0.00 0.00 176.35 176.76 3i13 s VAL 55 N -0.94 5.09 0.15 -1.59 1.01 -0.33 -0.46 120.40 123.33 3i13 s VAL 55 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3i13 s VAL 55 Cb -0.12 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3i13 s VAL 55 CO 0.03 -0.34 0.00 0.47 0.00 0.00 0.00 175.10 175.27 3i13 n ASP 56 N 5.59 -2.46 -0.32 3.32 10.43 0.16 -1.37 116.55 131.90 3i13 n ASP 56 Ca -0.07 0.44 0.00 0.00 2.57 0.00 0.00 54.79 57.73 3i13 n ASP 56 Cb 0.48 -0.58 0.00 0.00 1.84 0.00 0.00 41.12 42.86 3i13 n ASP 56 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3i13 n SER 57 N -1.55 0.00 -2.71 -2.24 3.41 -1.22 -4.77 113.62 104.54 3i13 n SER 57 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 3i13 n SER 57 Cb 0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 3i13 n SER 57 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i13 n SER 58 N 0.00 -0.12 -0.29 4.04 2.88 -1.26 -4.89 113.62 113.97 3i13 n SER 58 Ca 0.00 -2.54 0.12 0.00 -1.33 0.00 0.00 58.87 55.11 3i13 n SER 58 Cb 0.00 1.08 0.27 0.00 -0.75 0.00 0.00 64.21 64.81 3i13 n SER 58 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3i13 h TRP 59 N 1.69 0.46 -4.12 0.66 4.06 -1.74 -3.06 115.95 113.90 3i13 h TRP 59 Ca -0.18 0.04 -0.29 0.00 2.06 0.00 0.00 58.89 60.52 3i13 h TRP 59 Cb 0.85 -0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 28.87 3i13 h TRP 59 CO 0.00 -0.12 -0.17 0.16 -3.56 0.00 0.00 178.44 174.75 3i13 s ASP 60 N -5.16 1.03 0.18 -3.49 1.47 -1.26 -4.22 116.67 105.22 3i13 s ASP 60 Ca -0.12 -1.54 -0.06 0.00 1.18 0.00 0.00 52.55 52.01 3i13 s ASP 60 Cb 0.25 0.69 0.08 0.00 -0.34 0.00 0.00 42.92 43.59 3i13 s ASP 60 CO 0.77 -1.34 1.53 0.44 0.68 0.00 0.00 175.17 177.25 3i13 h ASP 61 N 2.07 0.82 -0.11 2.11 3.32 -1.87 -1.70 116.42 121.05 3i13 h ASP 61 Ca -0.28 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 56.44 3i13 h ASP 61 Cb 1.24 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 3i13 h ASP 61 CO 0.38 1.11 -0.14 0.11 -1.72 0.00 0.00 179.24 178.98 3i13 h LYS 62 N 0.63 -0.18 -0.40 3.56 6.56 -1.97 -0.18 116.57 124.57 3i13 h LYS 62 Ca 0.05 0.01 -0.13 0.00 -1.06 0.00 0.00 60.65 59.52 3i13 h LYS 62 Cb 0.95 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.64 3i13 h LYS 62 CO 0.09 -0.12 -0.26 -0.07 -2.06 0.00 0.00 179.45 177.02 3i13 h LEU 63 N -0.19 0.93 -0.14 2.94 3.38 -1.96 -2.11 115.31 118.16 3i13 h LEU 63 Ca 0.08 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3i13 h LEU 63 Cb 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3i13 h LEU 63 CO -0.22 1.16 0.02 0.74 0.09 0.00 0.00 178.44 180.24 3i13 h THR 64 N 0.71 0.94 -0.50 0.22 2.02 -1.07 0.14 112.91 115.37 3i13 h THR 64 Ca 0.08 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.30 3i13 h THR 64 Cb 0.84 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3i13 h THR 64 CO 0.07 0.01 0.19 0.11 0.37 0.00 0.00 175.52 176.28 3i13 h LYS 65 N 0.08 0.37 -0.45 6.66 1.57 -0.99 -1.06 116.57 122.75 3i13 h LYS 65 Ca 0.06 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3i13 h LYS 65 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3i13 h LYS 65 CO -0.08 0.24 -0.14 1.49 -0.57 0.00 0.00 179.45 180.39 3i13 h GLU 66 N 0.38 0.84 -0.32 3.15 4.81 -1.06 -0.80 114.58 121.58 3i13 h GLU 66 Ca 0.24 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3i13 h GLU 66 Cb 0.24 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3i13 h GLU 66 CO -0.23 0.93 0.15 1.25 -0.73 0.00 0.00 179.01 180.38 3i13 h LEU 67 N 0.75 0.42 -0.16 1.64 5.85 -0.69 -1.24 115.31 121.88 3i13 h LEU 67 Ca 0.12 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3i13 h LEU 67 Cb 0.65 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3i13 h LEU 67 CO 0.05 0.43 0.08 0.40 -0.34 0.00 0.00 178.44 179.05 3i13 h ILE 68 N 0.38 1.12 -0.86 4.05 2.04 -0.99 -1.59 117.51 121.66 3i13 h ILE 68 Ca 0.11 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3i13 h ILE 68 Cb 0.12 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3i13 h ILE 68 CO -0.01 0.11 0.43 -0.33 0.00 0.00 0.00 178.15 178.34 3i13 h GLU 69 N 0.14 1.23 -0.29 2.37 5.08 -1.07 0.53 114.58 122.58 3i13 h GLU 69 Ca 0.06 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3i13 h GLU 69 Cb 0.11 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3i13 h GLU 69 CO -0.01 0.94 0.15 1.98 -1.00 0.00 0.00 179.01 181.07 3i13 h MET 70 N 1.22 0.40 -0.05 2.33 4.05 -0.76 -2.36 114.93 119.77 3i13 h MET 70 Ca 0.30 -0.05 -0.19 0.00 -0.28 0.00 0.00 59.70 59.48 3i13 h MET 70 Cb 0.10 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 3i13 h MET 70 CO -0.04 0.35 -0.79 -0.39 0.23 0.00 0.00 176.91 176.28 3i13 h VAL 71 N 0.34 1.41 -0.61 -5.77 -1.51 -0.98 -2.28 116.25 106.84 3i13 h VAL 71 Ca 0.10 -2.28 -0.04 0.00 -1.23 0.00 0.00 66.70 63.26 3i13 h VAL 71 Cb 0.07 2.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.43 3i13 h VAL 71 CO -0.02 0.68 0.24 -0.33 -1.23 0.00 0.00 177.57 176.92 3i13 h GLU 72 N 0.22 0.92 -0.01 5.19 5.08 -0.86 -0.38 114.58 124.73 3i13 h GLU 72 Ca -0.04 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3i13 h GLU 72 Cb 1.38 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 3i13 h GLU 72 CO 0.13 0.78 0.00 -0.22 -1.00 0.00 0.00 179.01 178.70 3i13 h LYS 73 N 0.86 0.02 -0.06 2.33 3.64 -1.36 0.44 116.57 122.43 3i13 h LYS 73 Ca 0.20 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3i13 h LYS 73 Cb 0.21 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3i13 h LYS 73 CO -0.02 0.22 0.02 -0.22 -2.27 0.00 0.00 179.45 177.18 3i13 h LYS 74 N -0.19 0.09 0.00 1.90 3.64 -1.26 -3.25 116.57 117.49 3i13 h LYS 74 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i13 h LYS 74 Cb 0.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3i13 h LYS 74 CO -0.00 0.22 -0.48 1.19 -2.27 0.00 0.00 179.45 178.12 3i13 n PHE 75 N -4.96 0.15 -3.48 1.91 3.72 -0.17 -4.96 117.46 109.68 3i13 n PHE 75 Ca -0.06 0.04 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 3i13 n PHE 75 Cb 0.11 -0.39 0.09 0.00 -0.94 0.00 0.00 39.48 38.35 3i13 n PHE 75 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i13 n GLN 76 N -1.67 -6.91 -3.89 -1.08 1.13 0.13 -4.99 117.38 100.11 3i13 n GLN 76 Ca 0.05 0.84 -0.08 0.00 -1.94 0.00 0.00 57.00 55.87 3i13 n GLN 76 Cb 0.36 -5.85 -0.03 0.00 0.11 0.00 0.00 30.24 24.83 3i13 n GLN 76 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3i13 s LYS 77 N -5.62 1.73 0.29 -1.09 -2.85 -1.17 -5.07 119.74 105.97 3i13 s LYS 77 Ca 0.15 -1.05 -0.08 0.00 -1.00 0.00 0.00 55.97 53.98 3i13 s LYS 77 Cb -0.07 0.58 -0.06 0.00 -2.06 0.00 0.00 37.83 36.22 3i13 s LYS 77 CO 0.73 -0.77 0.61 1.03 0.10 0.00 0.00 175.35 177.05 3i13 s ARG 78 N -3.94 3.75 -0.14 1.78 1.81 -1.26 -4.34 118.95 116.61 3i13 s ARG 78 Ca 0.14 0.24 -0.29 0.00 -1.72 0.00 0.00 55.73 54.10 3i13 s ARG 78 Cb -0.05 -2.58 -0.01 0.00 -0.45 0.00 0.00 34.95 31.86 3i13 s ARG 78 CO 0.07 0.20 1.10 0.08 -0.68 0.00 0.00 175.30 176.07 3i13 s VAL 79 N -2.04 4.56 -0.12 3.52 1.01 -1.26 0.01 120.40 126.08 3i13 s VAL 79 Ca 0.47 1.86 0.11 0.00 0.00 0.00 0.00 61.98 64.42 3i13 s VAL 79 Cb -0.11 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 3i13 s VAL 79 CO 0.26 -0.07 0.03 0.35 0.00 0.00 0.00 175.10 175.68 3i13 n THR 80 N 4.89 0.85 -3.78 3.92 -2.24 -0.34 -4.79 114.28 112.79 3i13 n THR 80 Ca 0.11 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3i13 n THR 80 Cb 0.47 -0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 3i13 n THR 80 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i13 s ASP 81 N -4.57 -0.14 -0.01 3.42 1.11 -1.24 -2.09 116.67 113.15 3i13 s ASP 81 Ca -0.07 -0.01 0.01 0.00 0.18 0.00 0.00 52.55 52.66 3i13 s ASP 81 Cb 0.04 0.30 0.00 0.00 1.07 0.00 0.00 42.92 44.33 3i13 s ASP 81 CO 0.50 -0.46 -0.03 -0.69 1.18 0.00 0.00 175.17 175.67 3i13 s VAL 82 N -1.55 0.25 -0.24 -1.27 1.01 0.01 -1.49 120.40 117.13 3i13 s VAL 82 Ca -0.12 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 3i13 s VAL 82 Cb -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3i13 s VAL 82 CO 0.03 0.09 0.12 -0.63 0.00 0.00 0.00 175.10 174.70 3i13 s ILE 83 N 0.11 4.94 -0.27 2.22 1.01 0.39 -0.53 121.20 129.06 3i13 s ILE 83 Ca -0.01 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 3i13 s ILE 83 Cb -0.03 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3i13 s ILE 83 CO -0.00 0.35 0.27 -0.63 0.00 0.00 0.00 174.94 174.92 3i13 s ILE 84 N 1.19 5.26 -0.52 2.92 -1.09 -0.27 0.39 121.20 129.09 3i13 s ILE 84 Ca 0.06 0.35 0.23 0.00 -2.23 0.00 0.00 60.65 59.06 3i13 s ILE 84 Cb -0.14 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 3i13 s ILE 84 CO 0.05 0.22 1.15 0.35 -1.23 0.00 0.00 174.94 175.48 3i13 n THR 85 N 4.97 0.36 -3.73 2.92 -2.24 -1.26 -4.65 114.28 110.65 3i13 n THR 85 Ca -0.12 -0.34 -0.02 0.00 -2.27 0.00 0.00 64.05 61.31 3i13 n THR 85 Cb 0.51 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3i13 n THR 85 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3i13 s HIS 86 N -3.23 -0.07 -1.58 4.78 -3.43 -1.26 -1.45 115.29 109.05 3i13 s HIS 86 Ca 0.03 -0.17 0.10 0.00 -0.80 0.00 0.00 55.06 54.23 3i13 s HIS 86 Cb 0.13 0.62 0.37 0.00 -1.43 0.00 0.00 32.58 32.26 3i13 s HIS 86 CO 0.77 -0.65 1.24 0.00 -2.00 0.00 0.00 174.74 174.10 3i13 n ALA 87 N -0.52 2.68 -1.84 -1.38 0.00 -1.26 -4.28 120.51 113.90 3i13 n ALA 87 Ca -0.06 -0.77 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 3i13 n ALA 87 Cb 0.61 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.08 3i13 n ALA 87 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3i13 s HIS 88 N -1.62 3.52 0.25 0.00 3.76 -1.26 -4.75 115.29 115.20 3i13 s HIS 88 Ca 0.27 1.25 -0.03 0.00 -0.15 0.00 0.00 55.06 56.40 3i13 s HIS 88 Cb 0.16 -2.80 0.43 0.00 1.11 0.00 0.00 32.58 31.48 3i13 s HIS 88 CO 0.15 -0.84 1.82 0.00 -0.85 0.00 0.00 174.74 175.01 3i13 h ALA 89 N -0.43 1.25 -0.01 -1.40 0.00 -1.91 0.70 119.26 117.46 3i13 h ALA 89 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i13 h ALA 89 Cb 1.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3i13 h ALA 89 CO 0.62 0.13 0.09 0.38 0.00 0.00 0.00 179.25 180.47 3i13 h ASP 90 N 0.84 0.00 0.00 0.00 2.03 -1.84 0.50 116.42 117.95 3i13 h ASP 90 Ca 0.42 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.43 3i13 h ASP 90 Cb 0.39 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.84 3i13 h ASP 90 CO -0.25 0.00 -2.06 0.54 -1.03 0.00 0.00 179.24 176.44 3i13 n ARG 91 N -3.13 0.44 -0.04 4.15 5.12 0.07 -3.84 116.66 119.44 3i13 n ARG 91 Ca -0.02 0.13 0.09 0.00 -1.93 0.00 0.00 57.85 56.12 3i13 n ARG 91 Cb 0.16 -1.31 0.10 0.00 -1.16 0.00 0.00 32.46 30.24 3i13 n ARG 91 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3i13 n ILE 92 N -3.29 0.12 0.30 0.55 3.06 -0.23 -3.45 119.36 116.43 3i13 n ILE 92 Ca -0.34 -0.56 0.16 0.00 -2.50 0.00 0.00 62.75 59.51 3i13 n ILE 92 Cb 0.82 1.28 0.94 0.00 0.54 0.00 0.00 39.64 43.22 3i13 n ILE 92 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3i13 h GLY 93 N 3.60 0.00 -2.44 4.50 0.00 -0.91 -0.97 103.07 106.85 3i13 h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i13 h GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3i13 n GLY 94 N -1.18 2.09 0.35 4.60 0.00 -1.16 -3.43 105.19 106.46 3i13 n GLY 94 Ca -0.03 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.42 3i13 n GLY 94 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i13 h ILE 95 N 2.91 1.09 -0.25 -0.61 6.09 -1.52 -1.92 117.51 123.30 3i13 h ILE 95 Ca 0.00 -0.30 0.01 0.00 -1.37 0.00 0.00 64.86 63.20 3i13 h ILE 95 Cb 1.20 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 38.60 3i13 h ILE 95 CO 0.21 0.16 0.13 0.50 -3.07 0.00 0.00 178.15 176.08 3i13 h LYS 96 N 0.88 0.27 -0.46 2.19 3.64 -1.84 -0.92 116.57 120.33 3i13 h LYS 96 Ca 0.31 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 3i13 h LYS 96 Cb 0.11 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3i13 h LYS 96 CO -0.09 0.18 0.27 1.15 -2.27 0.00 0.00 179.45 178.68 3i13 h THR 97 N 0.28 1.04 0.09 1.00 2.02 -1.72 -1.13 112.91 114.48 3i13 h THR 97 Ca 0.10 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3i13 h THR 97 Cb 0.02 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3i13 h THR 97 CO -0.06 0.10 -0.16 -0.07 0.37 0.00 0.00 175.52 175.70 3i13 h LEU 98 N 0.53 -0.43 -0.83 2.58 3.38 -0.89 -1.87 115.31 117.78 3i13 h LEU 98 Ca 0.18 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3i13 h LEU 98 Cb 0.03 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3i13 h LEU 98 CO -0.09 -0.23 0.44 0.11 0.09 0.00 0.00 178.44 178.77 3i13 h LYS 99 N -0.30 1.16 0.00 1.13 1.79 -1.00 -1.56 116.57 117.79 3i13 h LYS 99 Ca 0.02 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 3i13 h LYS 99 Cb 0.32 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3i13 h LYS 99 CO -0.09 0.87 -0.05 1.05 -1.08 0.00 0.00 179.45 180.14 3i13 h GLU 100 N 1.16 0.00 -0.01 3.15 4.11 -1.08 -2.67 114.58 119.24 3i13 h GLU 100 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 3i13 h GLU 100 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3i13 h GLU 100 CO -0.04 0.05 -0.16 0.54 0.07 0.00 0.00 179.01 179.47 3i13 n ARG 101 N -3.12 1.28 -1.33 1.06 1.74 -0.72 -4.93 116.66 110.63 3i13 n ARG 101 Ca 0.03 -0.80 -0.04 0.00 -0.77 0.00 0.00 57.85 56.27 3i13 n ARG 101 Cb 0.47 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 3i13 n ARG 101 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i13 n GLY 102 N 1.28 0.55 3.66 -0.13 0.00 -0.81 -5.03 105.19 104.73 3i13 n GLY 102 Ca 0.15 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3i13 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i13 s ILE 103 N -2.14 4.91 0.17 -0.61 1.01 -0.65 -4.96 121.20 118.92 3i13 s ILE 103 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 3i13 s ILE 103 Cb 0.00 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 3i13 s ILE 103 CO 0.00 0.04 1.16 -0.54 0.00 0.00 0.00 174.94 175.60 3i13 s LYS 104 N 2.16 4.52 -0.43 2.79 1.02 -0.89 -4.30 119.74 124.62 3i13 s LYS 104 Ca 0.36 1.81 0.01 0.00 0.02 0.00 0.00 55.97 58.16 3i13 s LYS 104 Cb -0.16 -3.26 0.12 0.00 -0.52 0.00 0.00 37.83 34.00 3i13 s LYS 104 CO 0.11 -0.04 0.18 0.00 -0.92 0.00 0.00 175.35 174.68 3i13 s ALA 105 N -0.02 3.13 0.29 5.17 0.00 -1.26 -0.81 121.76 128.26 3i13 s ALA 105 Ca 0.52 -2.76 -0.27 0.00 0.00 0.00 0.00 51.96 49.45 3i13 s ALA 105 Cb -0.31 -2.22 -0.10 0.00 0.00 0.00 0.00 23.12 20.49 3i13 s ALA 105 CO 0.35 -1.83 0.94 -1.01 0.00 0.00 0.00 175.76 174.21 3i13 s HIS 106 N 0.64 3.80 0.25 0.00 0.09 0.31 -0.33 115.29 120.05 3i13 s HIS 106 Ca 0.12 1.83 -0.22 0.00 -0.00 0.00 0.00 55.06 56.79 3i13 s HIS 106 Cb -0.21 -2.94 0.03 0.00 -0.00 0.00 0.00 32.58 29.46 3i13 s HIS 106 CO -0.05 0.30 0.77 -1.54 -0.00 0.00 0.00 174.74 174.22 3i13 s SER 107 N -1.46 -0.25 0.83 1.40 1.04 -1.26 -1.11 113.70 112.89 3i13 s SER 107 Ca 0.47 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 56.23 3i13 s SER 107 Cb -0.21 0.67 0.09 0.00 0.10 0.00 0.00 66.02 66.67 3i13 s SER 107 CO 0.27 -1.24 1.09 0.42 0.98 0.00 0.00 173.24 174.76 3i13 s THR 108 N -3.77 2.95 0.31 2.02 -4.23 -1.26 -0.90 115.64 110.76 3i13 s THR 108 Ca 0.11 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 3i13 s THR 108 Cb -0.05 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.10 3i13 s THR 108 CO 0.06 -0.40 1.94 0.00 -0.54 0.00 0.00 174.62 175.67 3i13 h ALA 109 N -1.23 1.49 -0.28 3.99 0.00 -1.69 -1.86 119.26 119.68 3i13 h ALA 109 Ca -0.48 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 3i13 h ALA 109 Cb 1.27 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i13 h ALA 109 CO 0.58 0.41 -0.30 1.25 0.00 0.00 0.00 179.25 181.19 3i13 h LEU 110 N 1.04 0.74 -0.88 0.00 5.85 -1.92 -0.36 115.31 119.77 3i13 h LEU 110 Ca 0.35 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3i13 h LEU 110 Cb 0.08 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3i13 h LEU 110 CO -0.11 1.07 0.53 0.74 -0.34 0.00 0.00 178.44 180.33 3i13 h THR 111 N 0.42 1.24 -0.62 1.05 2.02 -1.82 -0.96 112.91 114.24 3i13 h THR 111 Ca 0.04 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 3i13 h THR 111 Cb 0.87 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3i13 h THR 111 CO 0.07 0.26 0.32 0.00 0.37 0.00 0.00 175.52 176.54 3i13 h ALA 112 N 1.29 0.80 -0.29 6.16 0.00 -0.88 0.29 119.26 126.63 3i13 h ALA 112 Ca 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3i13 h ALA 112 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3i13 h ALA 112 CO -0.06 0.34 0.07 1.49 0.00 0.00 0.00 179.25 181.10 3i13 h GLU 113 N 0.85 0.46 -0.72 0.00 4.81 -0.71 0.13 114.58 119.40 3i13 h GLU 113 Ca 0.22 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3i13 h GLU 113 Cb 0.09 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3i13 h GLU 113 CO -0.03 0.54 0.23 -0.07 -0.73 0.00 0.00 179.01 178.95 3i13 h LEU 114 N 0.30 1.04 -0.12 1.64 3.38 -1.07 0.52 115.31 121.01 3i13 h LEU 114 Ca 0.09 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3i13 h LEU 114 Cb 0.28 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3i13 h LEU 114 CO 0.00 0.97 -0.13 0.00 0.09 0.00 0.00 178.44 179.37 3i13 h ALA 115 N 1.11 -0.05 -0.91 1.53 0.00 -0.56 -1.30 119.26 119.08 3i13 h ALA 115 Ca 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3i13 h ALA 115 Cb 0.30 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3i13 h ALA 115 CO -0.01 -0.59 0.53 -0.22 0.00 0.00 0.00 179.25 178.96 3i13 h LYS 116 N -0.17 1.25 -0.61 0.00 3.64 -0.50 -0.95 116.57 119.22 3i13 h LYS 116 Ca 0.09 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3i13 h LYS 116 Cb 0.29 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3i13 h LYS 116 CO -0.22 0.89 0.40 -0.22 -2.27 0.00 0.00 179.45 178.04 3i13 h LYS 117 N 1.26 0.64 -0.69 1.90 3.64 -0.44 -2.57 116.57 120.31 3i13 h LYS 117 Ca 0.32 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3i13 h LYS 117 Cb -0.02 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3i13 h LYS 117 CO -0.06 0.42 0.00 0.09 -2.27 0.00 0.00 179.45 177.64 3i13 n ASN 118 N -4.47 4.05 0.00 4.20 5.03 -0.53 -4.93 115.26 118.60 3i13 n ASN 118 Ca 0.08 -2.14 0.00 0.00 0.87 0.00 0.00 54.58 53.39 3i13 n ASN 118 Cb 0.18 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.44 3i13 n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i13 n GLY 119 N 1.45 0.63 3.93 7.41 0.00 -0.97 -5.05 105.19 112.59 3i13 n GLY 119 Ca 0.24 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3i13 n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i13 s TYR 120 N -2.00 3.49 0.66 1.61 1.51 -0.41 -5.00 117.35 117.20 3i13 s TYR 120 Ca 0.00 0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 56.28 3i13 s TYR 120 Cb 0.00 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3i13 s TYR 120 CO 0.00 0.25 1.18 -1.21 -1.11 0.00 0.00 175.55 174.66 3i13 s GLU 121 N -3.74 2.60 -0.17 -0.62 2.02 -1.26 -3.96 118.70 113.57 3i13 s GLU 121 Ca 0.40 1.67 -0.22 0.00 0.02 0.00 0.00 54.97 56.85 3i13 s GLU 121 Cb -0.10 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 3i13 s GLU 121 CO 0.31 -1.46 0.67 -1.21 0.02 0.00 0.00 175.26 173.59 3i13 s GLU 122 N -3.77 4.26 0.67 1.61 2.02 -1.26 -4.74 118.70 117.50 3i13 s GLU 122 Ca 0.73 0.71 -0.11 0.00 0.02 0.00 0.00 54.97 56.32 3i13 s GLU 122 Cb -0.27 -3.56 0.17 0.00 0.10 0.00 0.00 34.13 30.57 3i13 s GLU 122 CO 0.40 -0.20 0.57 -0.35 0.02 0.00 0.00 175.26 175.70 3i13 n PRO 123 N 4.87 -2.32 0.12 0.39 -0.04 -1.26 -4.96 135.00 131.80 3i13 n PRO 123 Ca -0.01 -0.92 -0.02 0.00 -0.04 0.00 0.00 63.50 62.52 3i13 n PRO 123 Cb 0.50 -0.89 0.08 0.00 -0.04 0.00 0.00 33.50 33.14 3i13 n PRO 123 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i13 h LEU 124 N 0.00 0.00 1.47 1.53 3.38 -0.97 -3.46 115.31 117.26 3i13 h LEU 124 Ca -0.22 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.49 3i13 h LEU 124 Cb 0.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3i13 h LEU 124 CO 0.14 0.69 -0.31 0.61 0.09 0.00 0.00 178.44 179.67 3i13 n GLY 125 N 0.76 0.32 0.05 0.83 0.00 -1.14 -4.91 105.19 101.10 3i13 n GLY 125 Ca -0.00 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.77 3i13 n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i13 n ASP 126 N -0.37 0.61 -4.75 1.61 5.75 -0.07 -3.68 116.55 115.64 3i13 n ASP 126 Ca -0.15 -0.05 -0.40 0.00 -0.01 0.00 0.00 54.79 54.18 3i13 n ASP 126 Cb 0.56 0.78 -0.06 0.00 -1.03 0.00 0.00 41.12 41.36 3i13 n ASP 126 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3i13 s LEU 127 N -4.29 4.64 0.00 -2.12 1.43 -0.17 -4.99 118.68 113.19 3i13 s LEU 127 Ca 0.02 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 3i13 s LEU 127 Cb 0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3i13 s LEU 127 CO 0.80 0.16 0.00 0.00 0.23 0.00 0.00 176.35 177.54 3i13 n GLN 128 N 1.53 2.50 -0.09 1.70 1.13 -1.26 -4.01 117.38 118.88 3i13 n GLN 128 Ca -0.02 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.93 3i13 n GLN 128 Cb 0.47 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.78 3i13 n GLN 128 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3i13 h THR 129 N 0.02 1.27 -3.21 5.09 2.02 -1.93 -3.41 112.91 112.77 3i13 h THR 129 Ca 0.00 -1.00 -0.63 0.00 0.77 0.00 0.00 66.41 65.54 3i13 h THR 129 Cb 0.00 1.38 -0.34 0.00 -1.74 0.00 0.00 68.15 67.44 3i13 h THR 129 CO 0.00 0.32 -0.85 -0.69 0.37 0.00 0.00 175.52 174.66 3i13 s VAL 130 N -4.88 1.81 -0.05 3.16 1.01 -1.26 -0.89 120.40 119.29 3i13 s VAL 130 Ca -0.13 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3i13 s VAL 130 Cb 0.08 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3i13 s VAL 130 CO 0.76 0.50 -0.10 -0.89 0.00 0.00 0.00 175.10 175.37 3i13 s THR 131 N 0.98 0.98 -0.23 3.92 2.01 -0.66 -4.99 115.64 117.64 3i13 s THR 131 Ca -0.05 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 3i13 s THR 131 Cb -0.15 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3i13 s THR 131 CO -0.03 0.31 -0.01 0.20 -0.69 0.00 0.00 174.62 174.40 3i13 s ASN 132 N 0.59 4.52 0.21 3.53 0.01 -1.26 -0.77 114.94 121.78 3i13 s ASN 132 Ca -0.12 -0.42 0.10 0.00 -0.71 0.00 0.00 52.86 51.71 3i13 s ASN 132 Cb -0.14 -1.78 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 3i13 s ASN 132 CO 0.02 -0.05 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.70 3i13 s LEU 133 N 1.50 2.91 -0.04 0.60 1.43 0.58 -5.00 118.68 120.65 3i13 s LEU 133 Ca 0.05 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3i13 s LEU 133 Cb -0.15 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.55 3i13 s LEU 133 CO -0.02 0.08 0.04 -0.75 0.23 0.00 0.00 176.35 175.93 3i13 s LYS 134 N -3.05 0.10 -0.33 1.70 2.20 -1.26 -1.04 119.74 118.06 3i13 s LYS 134 Ca 0.26 0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 56.12 3i13 s LYS 134 Cb -0.08 -0.54 0.08 0.00 -1.51 0.00 0.00 37.83 35.78 3i13 s LYS 134 CO 0.15 -0.27 0.05 -0.06 -0.36 0.00 0.00 175.35 174.87 3i13 s PHE 135 N 1.77 3.45 0.00 4.03 0.08 -0.03 -4.95 117.98 122.33 3i13 s PHE 135 Ca 0.00 -2.29 0.00 0.00 0.12 0.00 0.00 56.93 54.76 3i13 s PHE 135 Cb -0.12 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.76 3i13 s PHE 135 CO -0.03 -0.89 0.00 0.41 -0.10 0.00 0.00 175.22 174.61 3i13 n GLY 136 N 4.52 3.61 0.08 4.36 0.00 -1.26 -1.27 105.19 115.24 3i13 n GLY 136 Ca -0.07 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3i13 n GLY 136 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i13 n ASN 137 N 8.86 0.69 -4.61 1.61 2.04 -1.26 -4.92 115.26 117.66 3i13 n ASN 137 Ca 0.00 -0.48 -0.41 0.00 -0.44 0.00 0.00 54.58 53.25 3i13 n ASN 137 Cb 0.00 0.23 -0.06 0.00 -2.53 0.00 0.00 39.78 37.42 3i13 n ASN 137 CO 0.00 0.00 0.00 -0.32 -0.44 0.00 0.00 177.26 176.50 3i13 s MET 138 N -2.83 3.97 -0.01 -3.83 0.00 -0.40 -5.05 119.30 111.15 3i13 s MET 138 Ca 0.15 0.45 -0.15 0.00 0.00 0.00 0.00 55.69 56.14 3i13 s MET 138 Cb 0.18 -3.71 -0.06 0.00 0.00 0.00 0.00 34.83 31.24 3i13 s MET 138 CO 0.64 -0.57 0.43 0.15 0.00 0.00 0.00 175.02 175.67 3i13 s LYS 139 N 2.70 4.00 -0.03 4.11 1.02 -1.26 -0.86 119.74 129.42 3i13 s LYS 139 Ca 0.28 0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.70 3i13 s LYS 139 Cb -0.15 -3.25 0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3i13 s LYS 139 CO 0.11 0.62 0.04 0.08 -0.92 0.00 0.00 175.35 175.28 3i13 s VAL 140 N -0.86 -0.07 -0.10 3.17 1.01 -0.21 -4.24 120.40 119.10 3i13 s VAL 140 Ca 0.24 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 3i13 s VAL 140 Cb -0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3i13 s VAL 140 CO 0.13 0.14 -0.07 -0.70 0.00 0.00 0.00 175.10 174.60 3i13 s GLU 141 N 1.67 3.07 -0.04 2.72 2.12 0.34 -0.31 118.70 128.27 3i13 s GLU 141 Ca -0.01 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.77 3i13 s GLU 141 Cb -0.12 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.57 3i13 s GLU 141 CO -0.03 0.49 -0.08 0.95 -0.54 0.00 0.00 175.26 176.05 3i13 s THR 142 N -0.33 3.58 -0.04 -1.70 -4.23 0.05 -0.16 115.64 112.82 3i13 s THR 142 Ca 0.05 -0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 3i13 s THR 142 Cb -0.13 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.26 3i13 s THR 142 CO 0.02 0.53 0.07 0.12 -0.54 0.00 0.00 174.62 174.83 3i13 s PHE 143 N -0.86 -0.01 -0.48 3.99 5.36 -0.51 -1.65 117.98 123.82 3i13 s PHE 143 Ca 0.14 0.28 -0.20 0.00 -0.96 0.00 0.00 56.93 56.19 3i13 s PHE 143 Cb -0.11 -0.31 0.04 0.00 -0.34 0.00 0.00 43.02 42.30 3i13 s PHE 143 CO 0.03 -0.16 0.66 -0.47 -1.46 0.00 0.00 175.22 173.82 3i13 s TYR 144 N 1.64 3.03 -1.24 10.12 5.04 -0.07 -0.91 117.35 134.96 3i13 s TYR 144 Ca -0.02 -0.28 0.26 0.00 -2.44 0.00 0.00 57.07 54.59 3i13 s TYR 144 Cb -0.12 -3.49 0.74 0.00 0.35 0.00 0.00 41.96 39.44 3i13 s TYR 144 CO -0.04 -0.99 1.56 -0.35 -1.34 0.00 0.00 175.55 174.40 3i13 n PRO 145 N 6.32 0.26 0.00 4.97 -0.04 -1.26 -4.93 135.00 140.31 3i13 n PRO 145 Ca -0.04 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3i13 n PRO 145 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3i13 n PRO 145 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i13 n GLY 146 N 1.44 0.25 3.80 0.55 0.00 -1.26 -4.38 105.19 105.58 3i13 n GLY 146 Ca 0.08 -2.30 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 3i13 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i13 s LYS 147 N -0.89 3.61 0.00 1.61 1.02 -1.26 -4.66 119.74 119.17 3i13 s LYS 147 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.25 3i13 s LYS 147 Cb 0.00 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3i13 s LYS 147 CO 0.00 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 3i13 n GLY 148 N -0.68 -0.57 0.35 -3.33 0.00 -1.26 -3.07 105.19 96.63 3i13 n GLY 148 Ca 0.09 0.56 0.05 0.00 0.00 0.00 0.00 46.02 46.72 3i13 n GLY 148 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i13 h HIS 149 N 0.00 1.07 -4.56 1.61 -0.00 -1.87 0.13 115.15 111.53 3i13 h HIS 149 Ca 0.00 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.17 3i13 h HIS 149 Cb 0.00 -0.34 -0.15 0.00 -0.00 0.00 0.00 27.41 26.92 3i13 h HIS 149 CO 0.00 0.46 -0.62 0.95 -0.00 0.00 0.00 177.93 178.72 3i13 s THR 150 N -6.00 0.01 0.35 6.26 -4.23 -1.26 -3.03 115.64 107.74 3i13 s THR 150 Ca -0.12 -1.98 0.25 0.00 -1.18 0.00 0.00 61.69 58.66 3i13 s THR 150 Cb 0.21 -2.45 0.26 0.00 1.34 0.00 0.00 72.50 71.86 3i13 s THR 150 CO 0.80 -0.05 2.00 1.05 -0.54 0.00 0.00 174.62 177.88 3i13 h GLU 151 N 2.64 0.00 -0.01 3.99 4.11 -1.84 -3.28 114.58 120.19 3i13 h GLU 151 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 3i13 h GLU 151 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3i13 h GLU 151 CO 0.53 0.16 -0.32 -0.40 0.07 0.00 0.00 179.01 179.05 3i13 n ASP 152 N -3.63 1.29 -4.64 3.06 5.75 -1.26 -4.34 116.55 112.77 3i13 n ASP 152 Ca -0.01 -1.14 -0.46 0.00 -0.01 0.00 0.00 54.79 53.16 3i13 n ASP 152 Cb 0.29 0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.90 3i13 n ASP 152 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3i13 n ASN 153 N -0.37 2.35 -4.46 -1.12 2.04 -1.24 -4.80 115.26 107.67 3i13 n ASN 153 Ca 0.05 1.14 -0.24 0.00 -0.44 0.00 0.00 54.58 55.09 3i13 n ASN 153 Cb 0.26 -1.36 -0.10 0.00 -2.53 0.00 0.00 39.78 36.05 3i13 n ASN 153 CO 0.00 0.00 0.00 0.27 -0.44 0.00 0.00 177.26 177.09 3i13 s ILE 154 N 0.02 2.42 0.30 1.53 -4.36 -0.53 -4.36 121.20 116.22 3i13 s ILE 154 Ca 0.71 -2.39 0.09 0.00 -0.26 0.00 0.00 60.65 58.80 3i13 s ILE 154 Cb -0.72 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 3i13 s ILE 154 CO 0.49 -0.40 0.08 0.68 0.24 0.00 0.00 174.94 176.03 3i13 s VAL 155 N -2.55 3.34 -0.08 8.37 -7.23 -0.09 -4.67 120.40 117.49 3i13 s VAL 155 Ca 0.30 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 3i13 s VAL 155 Cb -0.04 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.95 3i13 s VAL 155 CO 0.15 -0.28 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.81 3i13 s VAL 156 N -2.36 1.39 -0.09 1.32 1.01 -0.84 -1.43 120.40 119.40 3i13 s VAL 156 Ca 0.34 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3i13 s VAL 156 Cb -0.05 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3i13 s VAL 156 CO 0.22 0.41 -0.20 0.86 0.00 0.00 0.00 175.10 176.38 3i13 s TRP 157 N 0.62 2.60 -0.65 5.22 -0.11 0.78 0.32 118.94 127.72 3i13 s TRP 157 Ca -0.15 -0.73 -0.07 0.00 1.22 0.00 0.00 56.10 56.36 3i13 s TRP 157 Cb -0.16 -1.70 0.17 0.00 -1.50 0.00 0.00 33.47 30.28 3i13 s TRP 157 CO 0.05 -0.23 0.51 -0.51 -4.62 0.00 0.00 176.95 172.15 3i13 s LEU 158 N 0.06 5.76 0.56 5.86 1.43 -0.05 -0.50 118.68 131.80 3i13 s LEU 158 Ca -0.08 -2.62 0.37 0.00 -1.03 0.00 0.00 54.13 50.77 3i13 s LEU 158 Cb -0.15 -1.99 1.86 0.00 0.03 0.00 0.00 46.19 45.94 3i13 s LEU 158 CO 0.05 -0.49 2.12 1.55 0.23 0.00 0.00 176.35 179.81 3i13 h PRO 159 N 7.53 0.00 0.00 1.29 0.13 -1.86 0.86 132.00 139.95 3i13 h PRO 159 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3i13 h PRO 159 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3i13 h PRO 159 CO 0.75 0.00 -0.08 1.04 -0.23 0.00 0.00 178.00 179.48 3i13 n GLN 160 N -2.90 0.13 0.00 0.86 6.02 -1.26 -3.86 117.38 116.36 3i13 n GLN 160 Ca -0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3i13 n GLN 160 Cb 0.14 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.76 3i13 n GLN 160 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3i13 n TYR 161 N -1.86 0.00 -3.81 1.08 4.01 -0.77 -5.03 117.16 110.77 3i13 n TYR 161 Ca 0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.57 3i13 n TYR 161 Cb 0.38 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.42 3i13 n TYR 161 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i13 n ASN 162 N -0.64 -0.80 -4.44 7.72 4.13 0.22 -4.59 115.26 116.87 3i13 n ASN 162 Ca 0.00 -0.91 -0.33 0.00 1.68 0.00 0.00 54.58 55.02 3i13 n ASN 162 Cb 0.01 -3.59 -0.13 0.00 -1.54 0.00 0.00 39.78 34.53 3i13 n ASN 162 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3i13 s ILE 163 N -3.80 3.50 -0.21 2.41 1.01 -1.15 -0.24 121.20 122.73 3i13 s ILE 163 Ca 0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 3i13 s ILE 163 Cb -0.00 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3i13 s ILE 163 CO 0.85 0.50 -0.02 -0.22 0.00 0.00 0.00 174.94 176.05 3i13 s LEU 164 N 0.40 3.12 -0.57 2.97 2.96 -0.07 -0.87 118.68 126.63 3i13 s LEU 164 Ca -0.07 -0.27 -0.22 0.00 -0.22 0.00 0.00 54.13 53.35 3i13 s LEU 164 Cb -0.15 -1.79 0.06 0.00 0.50 0.00 0.00 46.19 44.81 3i13 s LEU 164 CO 0.04 0.04 0.85 -0.69 -1.32 0.00 0.00 176.35 175.27 3i13 s VAL 165 N 1.15 4.52 -0.34 1.68 1.01 0.15 -0.12 120.40 128.45 3i13 s VAL 165 Ca 0.02 -0.17 0.20 0.00 0.00 0.00 0.00 61.98 62.03 3i13 s VAL 165 Cb -0.14 -4.51 0.25 0.00 0.00 0.00 0.00 36.38 31.97 3i13 s VAL 165 CO 0.01 -1.13 1.55 1.23 0.00 0.00 0.00 175.10 176.76 3i13 h GLY 166 N 10.68 0.00 0.00 4.51 0.00 -1.03 -2.23 103.07 115.00 3i13 h GLY 166 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3i13 h GLY 166 CO 1.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.23 3i13 n GLY 167 N 1.14 1.00 0.00 4.60 0.00 -1.21 -3.26 105.19 107.46 3i13 n GLY 167 Ca 0.03 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.54 3i13 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i13 h LEU 169 N 0.00 0.00 -8.32 0.00 5.85 -1.92 -3.43 115.31 107.49 3i13 h LEU 169 Ca 0.00 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.05 3i13 h LEU 169 Cb 0.37 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.09 3i13 h LEU 169 CO 0.00 0.17 -0.82 -0.69 -0.34 0.00 0.00 178.44 176.76 3i13 s VAL 170 N -4.21 2.48 0.09 1.05 1.01 -0.93 -4.85 120.40 115.05 3i13 s VAL 170 Ca -0.03 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 3i13 s VAL 170 Cb 0.13 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 3i13 s VAL 170 CO 0.62 0.52 0.48 -0.54 0.00 0.00 0.00 175.10 176.19 3i13 s LYS 171 N 0.83 3.93 0.64 2.72 -0.14 -1.26 -3.26 119.74 123.20 3i13 s LYS 171 Ca -0.06 0.41 -0.13 0.00 -1.36 0.00 0.00 55.97 54.84 3i13 s LYS 171 Cb -0.15 -3.04 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 3i13 s LYS 171 CO -0.01 0.56 1.05 -1.54 -0.76 0.00 0.00 175.35 174.65 3i13 s SER 172 N -1.54 5.73 0.30 2.83 1.04 -1.26 -4.67 113.70 116.12 3i13 s SER 172 Ca 0.33 1.64 0.06 0.00 0.48 0.00 0.00 55.95 58.45 3i13 s SER 172 Cb -0.15 -2.50 0.77 0.00 0.10 0.00 0.00 66.02 64.23 3i13 s SER 172 CO 0.18 -1.21 1.72 0.74 0.98 0.00 0.00 173.24 175.65 3i13 h THR 173 N -0.20 0.54 0.00 2.02 2.02 -1.93 -1.12 112.91 114.24 3i13 h THR 173 Ca -0.45 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 3i13 h THR 173 Cb 1.21 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3i13 h THR 173 CO 0.58 0.09 -0.11 0.77 0.37 0.00 0.00 175.52 177.22 3i13 h SER 174 N 0.51 0.00 -2.68 4.18 4.64 -1.96 -3.42 113.55 114.81 3i13 h SER 174 Ca 0.58 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.35 3i13 h SER 174 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3i13 h SER 174 CO -0.48 0.11 1.04 0.00 -0.87 0.00 0.00 176.83 176.63 3i13 s ALA 175 N -3.80 3.63 -2.48 5.18 0.00 -0.43 -4.90 121.76 118.96 3i13 s ALA 175 Ca -0.00 0.83 0.21 0.00 0.00 0.00 0.00 51.96 53.00 3i13 s ALA 175 Cb 0.11 -3.71 0.13 0.00 0.00 0.00 0.00 23.12 19.65 3i13 s ALA 175 CO 0.58 -1.33 1.13 1.63 0.00 0.00 0.00 175.76 177.77 3i13 n LYS 176 N 6.95 1.83 -3.94 0.00 4.76 -1.26 -4.86 118.16 121.64 3i13 n LYS 176 Ca 0.16 -1.60 -0.12 0.00 -2.87 0.00 0.00 58.31 53.89 3i13 n LYS 176 Cb 0.43 -1.40 -0.00 0.00 -1.84 0.00 0.00 35.03 32.22 3i13 n LYS 176 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 3i13 s ASP 177 N -1.84 0.44 0.07 4.39 1.47 -1.26 -5.05 116.67 114.89 3i13 s ASP 177 Ca 0.23 -1.31 0.24 0.00 1.18 0.00 0.00 52.55 52.89 3i13 s ASP 177 Cb 0.17 0.77 0.98 0.00 -0.34 0.00 0.00 42.92 44.50 3i13 s ASP 177 CO 0.31 -1.52 1.76 0.18 0.68 0.00 0.00 175.17 176.58 3i13 n LEU 178 N -0.55 0.22 0.00 2.11 4.77 -1.26 -5.00 117.00 117.28 3i13 n LEU 178 Ca -0.04 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3i13 n LEU 178 Cb 0.61 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3i13 n LEU 178 CO 0.28 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 3i13 n GLY 179 N 0.92 0.73 3.60 -0.72 0.00 -1.26 -4.70 105.19 103.75 3i13 n GLY 179 Ca 0.05 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 3i13 n GLY 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i13 s ASN 180 N -4.00 6.30 -0.10 1.61 2.47 -1.26 -4.87 114.94 115.10 3i13 s ASN 180 Ca 0.00 0.71 0.15 0.00 0.42 0.00 0.00 52.86 54.14 3i13 s ASN 180 Cb 0.00 -2.54 0.51 0.00 -1.45 0.00 0.00 41.25 37.77 3i13 s ASN 180 CO 0.00 -1.48 1.43 1.33 -3.72 0.00 0.00 177.10 174.66 3i13 n VAL 181 N 7.05 1.72 0.16 -5.21 0.24 -1.26 -4.57 118.33 116.45 3i13 n VAL 181 Ca 0.16 -1.37 0.01 0.00 -2.04 0.00 0.00 64.34 61.09 3i13 n VAL 181 Cb 0.48 0.12 0.30 0.00 -1.47 0.00 0.00 33.84 33.27 3i13 n VAL 181 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i13 h ALA 182 N 2.57 1.27 -0.56 2.33 0.00 -1.91 -2.68 119.26 120.28 3i13 h ALA 182 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i13 h ALA 182 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3i13 h ALA 182 CO 0.15 0.54 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 3i13 n ASP 183 N -4.04 3.86 -4.97 0.00 8.00 -1.26 -5.02 116.55 113.12 3i13 n ASP 183 Ca -0.02 -2.20 -0.21 0.00 0.71 0.00 0.00 54.79 53.07 3i13 n ASP 183 Cb 0.45 -0.44 0.02 0.00 -0.02 0.00 0.00 41.12 41.13 3i13 n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i13 s ALA 184 N -1.37 3.99 -0.47 2.24 0.00 -1.01 -3.85 121.76 121.29 3i13 s ALA 184 Ca 0.41 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3i13 s ALA 184 Cb 0.24 -1.96 0.15 0.00 0.00 0.00 0.00 23.12 21.55 3i13 s ALA 184 CO 0.24 -0.40 0.29 0.71 0.00 0.00 0.00 175.76 176.60 3i13 s TYR 185 N -2.51 1.95 -0.44 0.00 1.51 0.45 -4.98 117.35 113.33 3i13 s TYR 185 Ca 0.51 -2.48 0.24 0.00 -1.01 0.00 0.00 57.07 54.34 3i13 s TYR 185 Cb -0.10 -1.75 0.50 0.00 -0.11 0.00 0.00 41.96 40.50 3i13 s TYR 185 CO 0.36 -0.76 1.67 -0.39 -1.11 0.00 0.00 175.55 175.32 3i13 h VAL 186 N 4.99 0.00 -0.08 0.71 -1.51 -1.94 -0.12 116.25 118.30 3i13 h VAL 186 Ca 0.07 -0.87 -0.16 0.00 -1.23 0.00 0.00 66.70 64.51 3i13 h VAL 186 Cb 0.90 1.87 0.01 0.00 -2.13 0.00 0.00 31.29 31.94 3i13 h VAL 186 CO 0.48 0.00 -0.56 -1.13 -1.23 0.00 0.00 177.57 175.13 3i13 h ASN 187 N 0.00 0.62 1.60 4.19 -0.00 -1.96 -3.35 115.58 116.68 3i13 h ASN 187 Ca 0.00 -0.67 -0.07 0.00 -0.00 0.00 0.00 56.30 55.56 3i13 h ASN 187 Cb 0.91 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 39.04 3i13 h ASN 187 CO 0.00 1.20 -0.41 -0.33 -0.00 0.00 0.00 177.43 177.89 3i13 h GLU 188 N 0.09 0.00 -0.84 6.67 3.07 -1.77 -3.32 114.58 118.48 3i13 h GLU 188 Ca -0.05 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.89 3i13 h GLU 188 Cb 1.22 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.06 3i13 h GLU 188 CO 0.11 0.28 0.50 2.35 -1.40 0.00 0.00 179.01 180.85 3i13 h TRP 189 N 0.00 0.91 -0.39 4.33 2.91 -0.95 -1.00 115.95 121.77 3i13 h TRP 189 Ca -0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3i13 h TRP 189 Cb 1.24 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.59 3i13 h TRP 189 CO 0.00 0.41 0.24 0.77 -1.03 0.00 0.00 178.44 178.83 3i13 h SER 190 N 0.86 0.46 -1.00 2.65 0.02 -1.78 -1.43 113.55 113.34 3i13 h SER 190 Ca 0.39 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 3i13 h SER 190 Cb 0.29 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 3i13 h SER 190 CO -0.22 0.36 0.66 0.74 -1.14 0.00 0.00 176.83 177.24 3i13 h THR 191 N 0.52 1.25 -0.53 -2.27 2.02 -1.55 -1.00 112.91 111.35 3i13 h THR 191 Ca 0.14 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3i13 h THR 191 Cb -0.02 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.15 3i13 h THR 191 CO -0.03 0.25 0.26 0.28 0.37 0.00 0.00 175.52 176.65 3i13 h SER 192 N 1.35 0.70 -0.51 4.18 0.02 -0.90 0.12 113.55 118.51 3i13 h SER 192 Ca 0.37 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3i13 h SER 192 Cb -0.15 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3i13 h SER 192 CO -0.08 0.63 0.23 0.40 -1.14 0.00 0.00 176.83 176.87 3i13 h ILE 193 N 0.72 1.20 -0.44 3.27 2.04 -1.00 -1.71 117.51 121.59 3i13 h ILE 193 Ca 0.18 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3i13 h ILE 193 Cb 0.11 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3i13 h ILE 193 CO -0.02 0.22 0.29 -0.33 0.00 0.00 0.00 178.15 178.31 3i13 h GLU 194 N 0.67 0.51 -0.32 2.37 4.39 -0.73 -0.12 114.58 121.35 3i13 h GLU 194 Ca 0.17 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.71 3i13 h GLU 194 Cb 0.14 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3i13 h GLU 194 CO -0.02 0.34 -0.35 -0.91 -1.16 0.00 0.00 179.01 176.91 3i13 h ASN 195 N 0.52 0.75 0.02 1.42 2.35 0.09 -0.52 115.58 120.21 3i13 h ASN 195 Ca 0.17 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3i13 h ASN 195 Cb 0.04 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.20 3i13 h ASN 195 CO -0.04 1.03 -0.01 0.58 -1.65 0.00 0.00 177.43 177.34 3i13 h VAL 196 N 0.60 1.11 -0.49 2.81 2.07 -0.62 -2.01 116.25 119.71 3i13 h VAL 196 Ca 0.06 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.22 3i13 h VAL 196 Cb 0.88 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3i13 h VAL 196 CO 0.08 0.10 0.33 -0.07 0.02 0.00 0.00 177.57 178.02 3i13 h LEU 197 N -0.19 0.48 -0.35 2.57 3.38 -0.73 -0.41 115.31 120.06 3i13 h LEU 197 Ca -0.00 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3i13 h LEU 197 Cb 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i13 h LEU 197 CO 0.00 0.34 -0.56 0.11 0.09 0.00 0.00 178.44 178.42 3i13 h LYS 198 N 0.56 0.79 -0.10 1.13 1.57 -1.06 -3.30 116.57 116.17 3i13 h LYS 198 Ca 0.20 -0.51 -0.22 0.00 -1.87 0.00 0.00 60.65 58.25 3i13 h LYS 198 Cb 0.09 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3i13 h LYS 198 CO -0.05 1.14 -0.83 -0.09 -0.57 0.00 0.00 179.45 179.04 3i13 h ARG 199 N 0.61 0.67 -3.32 3.15 2.43 -0.70 -3.40 114.38 113.82 3i13 h ARG 199 Ca 0.01 -0.59 -0.64 0.00 -0.81 0.00 0.00 59.98 57.96 3i13 h ARG 199 Cb 1.15 0.14 -0.41 0.00 -0.42 0.00 0.00 29.97 30.43 3i13 h ARG 199 CO 0.12 1.20 -0.64 0.71 -1.51 0.00 0.00 179.97 179.85 3i13 s TYR 200 N -3.61 3.04 -0.70 2.20 2.02 -0.23 -4.96 117.35 115.12 3i13 s TYR 200 Ca -0.09 -3.09 0.25 0.00 -0.37 0.00 0.00 57.07 53.78 3i13 s TYR 200 Cb 0.09 -2.70 0.63 0.00 -0.40 0.00 0.00 41.96 39.58 3i13 s TYR 200 CO 0.89 -0.74 1.60 0.54 -1.57 0.00 0.00 175.55 176.28 3i13 n ARG 201 N 3.12 0.27 -3.71 -0.62 5.12 -1.25 -4.50 116.66 115.08 3i13 n ARG 201 Ca 0.06 0.16 -0.30 0.00 -1.93 0.00 0.00 57.85 55.85 3i13 n ARG 201 Cb 0.32 -1.76 -0.14 0.00 -1.16 0.00 0.00 32.46 29.73 3i13 n ARG 201 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3i13 s ASN 202 N -4.40 3.84 -0.16 0.55 3.04 -1.26 -5.11 114.94 111.44 3i13 s ASN 202 Ca 0.09 -2.02 -0.04 0.00 0.04 0.00 0.00 52.86 50.93 3i13 s ASN 202 Cb 0.13 -0.90 -0.02 0.00 -1.54 0.00 0.00 41.25 38.91 3i13 s ASN 202 CO 0.64 -0.36 -0.04 -0.63 -3.04 0.00 0.00 177.10 173.68 3i13 s ILE 203 N 1.14 3.80 -0.13 -5.21 1.01 -1.26 -4.88 121.20 115.67 3i13 s ILE 203 Ca 0.13 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.18 3i13 s ILE 203 Cb -0.20 -2.67 -0.25 0.00 0.01 0.00 0.00 42.46 39.34 3i13 s ILE 203 CO -0.14 0.48 0.57 0.78 0.00 0.00 0.00 174.94 176.63 3i13 h ASN 204 N 6.90 0.19 -4.27 3.58 2.35 -0.86 -3.43 115.58 120.04 3i13 h ASN 204 Ca -0.32 -0.82 -0.24 0.00 -0.55 0.00 0.00 56.30 54.38 3i13 h ASN 204 Cb 1.19 -0.06 -0.25 0.00 0.05 0.00 0.00 38.32 39.25 3i13 h ASN 204 CO 0.62 1.39 -0.72 0.00 -1.65 0.00 0.00 177.43 177.06 3i13 s ALA 205 N -2.37 0.20 -0.16 -0.83 0.00 -1.18 -4.80 121.76 112.62 3i13 s ALA 205 Ca -0.21 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3i13 s ALA 205 Cb 0.02 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.18 3i13 s ALA 205 CO 0.71 -0.03 -0.18 0.08 0.00 0.00 0.00 175.76 176.34 3i13 s VAL 206 N -0.64 2.35 -0.41 0.00 1.01 0.20 -0.89 120.40 122.04 3i13 s VAL 206 Ca -0.06 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3i13 s VAL 206 Cb -0.05 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.37 3i13 s VAL 206 CO -0.00 0.53 0.33 -0.69 0.00 0.00 0.00 175.10 175.26 3i13 s VAL 207 N 0.98 5.22 0.75 2.92 1.01 0.83 -1.30 120.40 130.80 3i13 s VAL 207 Ca -0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3i13 s VAL 207 Cb -0.15 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.34 3i13 s VAL 207 CO -0.04 -0.31 1.09 -2.16 0.00 0.00 0.00 175.10 173.68 3i13 s PRO 208 N 1.79 2.51 0.32 2.72 0.04 -1.26 -0.44 135.00 140.68 3i13 s PRO 208 Ca 0.07 0.66 0.02 0.00 0.04 0.00 0.00 61.00 61.79 3i13 s PRO 208 Cb -0.18 -1.96 0.59 0.00 0.04 0.00 0.00 34.50 32.98 3i13 s PRO 208 CO 0.11 -1.33 1.94 0.78 0.04 0.00 0.00 177.00 178.54 3i13 h GLY 209 N -0.88 1.15 -5.90 0.56 0.00 -0.81 -3.42 103.07 93.76 3i13 h GLY 209 Ca -0.46 -0.38 -0.25 0.00 0.00 0.00 0.00 47.33 46.25 3i13 h GLY 209 CO 0.60 0.30 -0.69 0.30 0.00 0.00 0.00 176.54 177.05 3i13 s HIS 210 N -5.83 -0.02 0.00 5.60 3.76 -1.26 -0.62 115.29 116.91 3i13 s HIS 210 Ca -0.11 0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 3i13 s HIS 210 Cb 0.19 -0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.81 3i13 s HIS 210 CO 0.79 -0.05 0.00 0.41 -0.85 0.00 0.00 174.74 175.04 3i13 n GLY 211 N 3.52 -1.25 3.80 -2.22 0.00 -1.26 -3.98 105.19 103.79 3i13 n GLY 211 Ca -0.18 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.38 3i13 n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i13 s GLU 212 N 0.00 4.39 0.26 1.61 0.41 -1.26 -4.74 118.70 119.37 3i13 s GLU 212 Ca 0.00 1.27 -0.30 0.00 -0.41 0.00 0.00 54.97 55.53 3i13 s GLU 212 Cb 0.00 -2.52 -0.10 0.00 -1.78 0.00 0.00 34.13 29.72 3i13 s GLU 212 CO 0.00 0.11 1.48 0.08 -0.49 0.00 0.00 175.26 176.44 3i13 s VAL 213 N -1.84 2.48 0.00 2.63 1.01 -1.26 -4.56 120.40 118.86 3i13 s VAL 213 Ca 0.56 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.95 3i13 s VAL 213 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3i13 s VAL 213 CO 0.20 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3i13 n GLY 214 N 2.13 5.37 0.00 4.51 0.00 -0.42 -4.98 105.19 111.81 3i13 n GLY 214 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3i13 n GLY 214 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i13 n ASP 215 N 0.00 0.54 0.22 1.61 5.68 -1.26 -0.62 116.55 122.71 3i13 n ASP 215 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.47 3i13 n ASP 215 Cb 0.00 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 40.81 3i13 n ASP 215 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3i13 h LYS 216 N 0.00 0.00 -0.80 0.11 3.64 -1.92 -1.00 116.57 116.60 3i13 h LYS 216 Ca 0.00 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 3i13 h LYS 216 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3i13 h LYS 216 CO 0.00 0.00 0.57 0.78 -2.27 0.00 0.00 179.45 178.53 3i13 h GLY 217 N 0.00 0.10 1.36 5.01 0.00 -1.99 0.04 103.07 107.59 3i13 h GLY 217 Ca 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 3i13 h GLY 217 CO -0.00 -0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.92 3i13 h LEU 218 N 0.04 0.75 -0.37 3.11 3.38 -1.48 0.39 115.31 121.14 3i13 h LEU 218 Ca 0.39 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3i13 h LEU 218 Cb 1.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3i13 h LEU 218 CO -0.02 0.83 -0.26 -0.07 0.09 0.00 0.00 178.44 179.01 3i13 h LEU 219 N 0.72 0.86 -0.71 1.67 3.38 -1.16 -1.31 115.31 118.76 3i13 h LEU 219 Ca 0.14 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3i13 h LEU 219 Cb 0.48 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3i13 h LEU 219 CO 0.02 1.12 0.30 -0.07 0.09 0.00 0.00 178.44 179.90 3i13 h LEU 220 N 0.62 0.97 -0.59 1.67 3.38 -1.20 -1.38 115.31 118.78 3i13 h LEU 220 Ca 0.07 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3i13 h LEU 220 Cb 0.83 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3i13 h LEU 220 CO 0.07 0.87 0.37 -0.74 0.09 0.00 0.00 178.44 179.10 3i13 h HIS 221 N 1.02 0.69 -0.44 1.13 2.76 -0.13 -1.57 115.15 118.61 3i13 h HIS 221 Ca 0.24 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3i13 h HIS 221 Cb 0.19 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 3i13 h HIS 221 CO 0.01 0.40 0.21 1.15 -1.30 0.00 0.00 177.93 178.40 3i13 h THR 222 N 0.73 1.18 -0.99 6.26 2.02 -0.83 -1.35 112.91 119.93 3i13 h THR 222 Ca 0.24 -0.52 0.17 0.00 0.77 0.00 0.00 66.41 67.07 3i13 h THR 222 Cb 0.01 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.04 3i13 h THR 222 CO -0.09 0.20 0.61 -0.07 0.37 0.00 0.00 175.52 176.54 3i13 h LEU 223 N 0.56 0.76 -0.54 2.58 3.38 -1.00 -2.33 115.31 118.72 3i13 h LEU 223 Ca 0.15 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 3i13 h LEU 223 Cb 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3i13 h LEU 223 CO -0.02 0.31 -0.44 -0.78 0.09 0.00 0.00 178.44 177.61 3i13 h ASP 224 N 0.77 0.74 0.48 -0.43 3.58 -0.57 -2.80 116.42 118.18 3i13 h ASP 224 Ca 0.54 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 3i13 h ASP 224 Cb 0.84 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 3i13 h ASP 224 CO -0.32 1.07 -0.08 -0.07 -2.88 0.00 0.00 179.24 176.96 3i13 h LEU 225 N 0.55 0.00 -0.33 2.28 3.38 -0.77 -1.80 115.31 118.63 3i13 h LEU 225 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i13 h LEU 225 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3i13 h LEU 225 CO 0.09 0.08 -0.14 0.18 0.09 0.00 0.00 178.44 178.74 3i13 n LEU 226 N -3.39 0.65 -0.01 1.67 4.77 -0.93 -4.78 117.00 114.98 3i13 n LEU 226 Ca -0.01 -0.08 0.16 0.00 -0.03 0.00 0.00 56.01 56.04 3i13 n LEU 226 Cb 0.23 -0.15 0.94 0.00 -2.33 0.00 0.00 43.42 42.11 3i13 n LEU 226 CO 0.28 0.12 1.10 0.29 -1.33 0.00 0.00 177.39 177.85