#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itq s GLN 13 N 0.00 3.47 0.26 5.31 -0.21 -1.26 -5.06 119.66 122.17 3itq s GLN 13 Ca 0.00 1.79 0.09 0.00 0.02 0.00 0.00 55.36 57.27 3itq s GLN 13 Cb 0.00 -2.22 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 3itq s GLN 13 CO 0.00 -0.80 -0.01 0.95 -2.12 0.00 0.00 175.29 173.31 3itq s THR 14 N -1.58 3.42 0.03 -0.19 -4.23 -1.26 -5.01 115.64 106.82 3itq s THR 14 Ca 0.69 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 59.08 3itq s THR 14 Cb -0.29 -2.82 -0.15 0.00 1.34 0.00 0.00 72.50 70.58 3itq s THR 14 CO 0.34 -0.35 1.40 0.40 -0.54 0.00 0.00 174.62 175.86 3itq h ILE 15 N 1.97 1.31 -2.64 2.99 2.04 -1.97 -3.42 117.51 117.79 3itq h ILE 15 Ca -0.44 -1.01 -0.53 0.00 1.00 0.00 0.00 64.86 63.88 3itq h ILE 15 Cb 1.25 1.78 0.04 0.00 -0.74 0.00 0.00 36.82 39.14 3itq h ILE 15 CO 0.60 0.28 1.03 0.12 0.00 0.00 0.00 178.15 180.19 3itq s PHE 16 N -4.64 2.44 -0.43 1.37 5.36 -1.26 -4.75 117.98 116.06 3itq s PHE 16 Ca -0.15 0.21 0.05 0.00 -0.96 0.00 0.00 56.93 56.08 3itq s PHE 16 Cb 0.04 -4.07 0.18 0.00 -0.34 0.00 0.00 43.02 38.84 3itq s PHE 16 CO 0.71 -4.29 0.38 -3.47 -1.46 0.00 0.00 175.22 167.09 3itq n ASP 17 N 5.24 -0.13 -3.66 6.13 2.03 -1.26 -5.04 116.55 119.85 3itq n ASP 17 Ca 0.16 -2.49 -0.13 0.00 0.52 0.00 0.00 54.79 52.85 3itq n ASP 17 Cb 0.39 -0.58 -0.13 0.00 -0.72 0.00 0.00 41.12 40.08 3itq n ASP 17 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3itq s HIS 18 N -0.27 -0.43 0.22 -0.67 3.76 -1.26 -5.06 115.29 111.59 3itq s HIS 18 Ca 0.33 0.97 0.05 0.00 -0.15 0.00 0.00 55.06 56.26 3itq s HIS 18 Cb 0.06 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.68 3itq s HIS 18 CO -0.18 -0.35 0.32 -1.59 -0.85 0.00 0.00 174.74 172.09 3itq s LYS 19 N 2.40 3.36 0.87 1.40 -2.85 -1.26 -5.01 119.74 118.65 3itq s LYS 19 Ca 0.01 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 3itq s LYS 19 Cb -0.12 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.79 3itq s LYS 19 CO -0.09 0.44 0.00 0.41 0.10 0.00 0.00 175.35 176.22 3itq n GLY 20 N -1.20 -1.27 0.00 0.59 0.00 -1.26 -4.62 105.19 97.43 3itq n GLY 20 Ca -0.08 -1.69 0.05 0.00 0.00 0.00 0.00 46.02 44.29 3itq n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3itq n ASN 21 N 0.12 0.50 -4.12 1.61 3.02 -1.26 -4.85 115.26 110.28 3itq n ASN 21 Ca 0.00 -0.72 -0.11 0.00 -0.03 0.00 0.00 54.58 53.72 3itq n ASN 21 Cb 0.00 1.01 -0.11 0.00 -0.61 0.00 0.00 39.78 40.07 3itq n ASN 21 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3itq s VAL 22 N -1.94 0.58 -0.22 2.41 -7.23 -1.26 -1.08 120.40 111.67 3itq s VAL 22 Ca 0.04 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3itq s VAL 22 Cb 0.07 -1.22 0.03 0.00 0.56 0.00 0.00 36.38 35.82 3itq s VAL 22 CO 0.40 -0.68 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.75 3itq s ILE 23 N -2.72 2.42 -0.56 -0.62 1.01 0.24 -4.89 121.20 116.08 3itq s ILE 23 Ca 0.02 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.42 3itq s ILE 23 Cb -0.01 -2.16 0.06 0.00 0.01 0.00 0.00 42.46 40.36 3itq s ILE 23 CO -0.03 0.34 0.80 -0.54 0.00 0.00 0.00 174.94 175.51 3itq s LYS 24 N 1.28 3.18 0.65 2.79 1.02 -1.26 -0.73 119.74 126.67 3itq s LYS 24 Ca 0.01 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.30 3itq s LYS 24 Cb -0.15 -4.13 0.10 0.00 -0.52 0.00 0.00 37.83 33.13 3itq s LYS 24 CO -0.08 -1.46 0.90 0.95 -0.92 0.00 0.00 175.35 174.74 3itq s THR 25 N 3.33 2.26 0.42 2.17 -4.23 -0.69 -4.99 115.64 113.91 3itq s THR 25 Ca 0.21 -0.70 0.09 0.00 -1.18 0.00 0.00 61.69 60.11 3itq s THR 25 Cb -0.17 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.39 3itq s THR 25 CO 0.13 0.00 2.03 -0.08 -0.54 0.00 0.00 174.62 176.16 3itq h GLU 26 N -0.25 0.50 0.00 3.99 4.81 -1.95 -3.26 114.58 118.42 3itq h GLU 26 Ca -0.36 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3itq h GLU 26 Cb 1.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3itq h GLU 26 CO 0.42 0.33 0.00 -0.40 -0.73 0.00 0.00 179.01 178.64 3itq n ASP 27 N -4.47 1.06 -3.63 1.04 5.75 -1.26 -5.07 116.55 109.96 3itq n ASP 27 Ca 0.05 -1.33 -0.11 0.00 -0.01 0.00 0.00 54.79 53.40 3itq n ASP 27 Cb 0.16 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.18 3itq n ASP 27 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3itq s ARG 28 N -0.33 0.67 -0.32 0.11 3.52 -1.23 -5.13 118.95 116.24 3itq s ARG 28 Ca 0.00 0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 56.24 3itq s ARG 28 Cb 0.00 0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.69 3itq s ARG 28 CO 0.00 -0.08 0.42 -2.00 -0.81 0.00 0.00 175.30 172.83 3itq s GLU 29 N 0.33 3.75 -0.00 5.12 2.12 -1.26 -1.70 118.70 127.05 3itq s GLU 29 Ca 0.01 -0.16 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 3itq s GLU 29 Cb -0.05 -3.75 -0.06 0.00 0.26 0.00 0.00 34.13 30.53 3itq s GLU 29 CO -0.03 -0.48 0.38 0.42 -0.54 0.00 0.00 175.26 175.01 3itq s ILE 30 N 2.17 5.08 -0.13 -3.70 -1.09 0.09 -4.84 121.20 118.78 3itq s ILE 30 Ca 0.15 0.73 -0.14 0.00 -2.23 0.00 0.00 60.65 59.16 3itq s ILE 30 Cb -0.16 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 3itq s ILE 30 CO 0.11 0.55 0.33 -1.10 -1.23 0.00 0.00 174.94 173.60 3itq s GLN 31 N -1.17 4.18 -0.38 2.79 -0.21 0.26 -0.59 119.66 124.54 3itq s GLN 31 Ca 0.24 0.18 -0.20 0.00 0.02 0.00 0.00 55.36 55.60 3itq s GLN 31 Cb -0.16 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.47 3itq s GLN 31 CO 0.13 0.32 0.63 0.42 -2.12 0.00 0.00 175.29 174.66 3itq s ILE 32 N 0.20 4.88 -0.23 1.08 1.01 -0.24 -0.45 121.20 127.46 3itq s ILE 32 Ca 0.19 0.44 -0.12 0.00 0.00 0.00 0.00 60.65 61.16 3itq s ILE 32 Cb -0.14 -4.10 -0.18 0.00 0.01 0.00 0.00 42.46 38.06 3itq s ILE 32 CO 0.06 -0.38 -0.03 -0.38 0.00 0.00 0.00 174.94 174.21 3itq n ILE 33 N 5.64 1.57 -3.57 2.92 2.08 0.10 -4.86 119.36 123.24 3itq n ILE 33 Ca -0.02 -0.37 -0.17 0.00 0.56 0.00 0.00 62.75 62.76 3itq n ILE 33 Cb 0.48 -1.81 -0.06 0.00 -0.75 0.00 0.00 39.64 37.50 3itq n ILE 33 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3itq s SER 34 N -7.04 -0.55 -0.03 4.38 1.04 -1.14 -4.98 113.70 105.39 3itq s SER 34 Ca -0.32 0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.68 3itq s SER 34 Cb 0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3itq s SER 34 CO 0.59 -0.58 -0.10 -0.54 0.98 0.00 0.00 173.24 173.59 3itq s LYS 35 N -1.31 1.08 -0.21 4.02 1.02 -1.26 -1.10 119.74 121.98 3itq s LYS 35 Ca -0.11 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.46 3itq s LYS 35 Cb -0.01 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 3itq s LYS 35 CO 0.08 0.14 0.06 0.12 -0.92 0.00 0.00 175.35 174.83 3itq s PHE 36 N 0.16 3.17 0.07 3.18 5.36 0.49 -4.99 117.98 125.42 3itq s PHE 36 Ca -0.03 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 55.84 3itq s PHE 36 Cb -0.09 -2.13 -0.24 0.00 -0.34 0.00 0.00 43.02 40.22 3itq s PHE 36 CO 0.01 -0.05 1.10 0.93 -1.46 0.00 0.00 175.22 175.74 3itq h GLU 37 N 7.29 0.11 -1.92 10.12 4.39 -1.96 -1.26 114.58 131.36 3itq h GLU 37 Ca -0.36 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.12 3itq h GLU 37 Cb 1.17 0.07 -0.25 0.00 -0.10 0.00 0.00 28.75 29.65 3itq h GLU 37 CO 0.64 1.01 -0.32 -2.00 -1.16 0.00 0.00 179.01 177.19 3itq s GLU 38 N -2.67 0.44 0.72 2.33 2.12 -1.26 -3.60 118.70 116.78 3itq s GLU 38 Ca -0.03 1.02 -0.16 0.00 0.36 0.00 0.00 54.97 56.16 3itq s GLU 38 Cb 0.08 0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.83 3itq s GLU 38 CO 0.84 -0.41 1.26 -1.25 -0.54 0.00 0.00 175.26 175.17 3itq s PRO 39 N 2.72 2.15 -0.20 4.30 0.04 -1.26 -5.06 135.00 137.69 3itq s PRO 39 Ca 0.06 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 3itq s PRO 39 Cb -0.13 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3itq s PRO 39 CO -0.17 -1.88 1.34 -1.17 0.04 0.00 0.00 177.00 175.16 3itq s LEU 40 N -4.93 4.08 -0.10 -3.56 2.96 -1.24 -4.80 118.68 111.10 3itq s LEU 40 Ca 0.79 1.59 0.02 0.00 -0.22 0.00 0.00 54.13 56.31 3itq s LEU 40 Cb -0.34 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.82 3itq s LEU 40 CO 0.44 -0.91 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.78 3itq s ILE 41 N 3.96 1.43 -0.08 6.68 1.01 -0.47 -2.47 121.20 131.25 3itq s ILE 41 Ca 0.58 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3itq s ILE 41 Cb -0.21 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3itq s ILE 41 CO 0.20 0.43 -0.14 -0.69 0.00 0.00 0.00 174.94 174.73 3itq s VAL 42 N 0.87 1.33 -0.15 2.92 1.01 0.21 -0.38 120.40 126.20 3itq s VAL 42 Ca -0.09 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 3itq s VAL 42 Cb -0.15 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3itq s VAL 42 CO 0.01 0.40 0.42 -0.69 0.00 0.00 0.00 175.10 175.23 3itq s VAL 43 N 0.71 5.21 -0.06 2.92 1.01 -0.26 -0.66 120.40 129.27 3itq s VAL 43 Ca -0.13 0.79 0.05 0.00 0.00 0.00 0.00 61.98 62.69 3itq s VAL 43 Cb -0.16 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3itq s VAL 43 CO 0.03 0.31 -0.21 -0.76 0.00 0.00 0.00 175.10 174.47 3itq s LEU 44 N 0.83 2.00 0.23 3.92 1.43 -0.02 -0.72 118.68 126.34 3itq s LEU 44 Ca 0.22 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 3itq s LEU 44 Cb -0.14 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 3itq s LEU 44 CO 0.08 0.20 0.16 -0.83 0.23 0.00 0.00 176.35 176.19 3itq s GLY 45 N -0.02 1.52 -1.55 -3.19 0.00 0.40 -0.98 107.32 103.50 3itq s GLY 45 Ca -0.05 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.28 3itq s GLY 45 CO 0.03 -1.41 0.21 -2.01 0.00 0.00 0.00 173.10 169.93 3itq n ASN 46 N -0.89 -5.58 -0.05 1.64 5.15 -1.23 -0.57 115.26 113.72 3itq n ASN 46 Ca -0.08 -0.11 -0.14 0.00 -0.60 0.00 0.00 54.58 53.65 3itq n ASN 46 Cb 0.57 -4.55 -0.07 0.00 -0.53 0.00 0.00 39.78 35.20 3itq n ASN 46 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3itq h VAL 47 N -0.48 1.36 -4.23 3.44 2.07 -1.31 -3.43 116.25 113.68 3itq h VAL 47 Ca -0.46 -1.53 -0.58 0.00 0.82 0.00 0.00 66.70 64.94 3itq h VAL 47 Cb 1.33 1.98 -0.27 0.00 -1.52 0.00 0.00 31.29 32.82 3itq h VAL 47 CO 0.53 0.46 -0.84 -0.76 0.02 0.00 0.00 177.57 176.97 3itq s LEU 48 N -8.88 2.14 0.76 2.57 1.43 -1.08 -5.05 118.68 110.56 3itq s LEU 48 Ca -0.13 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 3itq s LEU 48 Cb 0.06 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.34 3itq s LEU 48 CO 0.79 0.18 1.09 -0.94 0.23 0.00 0.00 176.35 177.70 3itq s SER 49 N -1.00 4.63 0.27 2.29 1.04 -1.26 -4.49 113.70 115.17 3itq s SER 49 Ca 0.07 1.78 -0.03 0.00 0.48 0.00 0.00 55.95 58.26 3itq s SER 49 Cb -0.09 -2.51 0.38 0.00 0.10 0.00 0.00 66.02 63.91 3itq s SER 49 CO 0.01 -1.95 1.91 0.44 0.98 0.00 0.00 173.24 174.64 3itq h ASP 50 N -1.07 1.05 -0.58 7.02 3.32 -1.98 -1.19 116.42 122.99 3itq h ASP 50 Ca -0.44 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3itq h ASP 50 Cb 1.23 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3itq h ASP 50 CO 0.52 0.71 0.24 -0.08 -1.72 0.00 0.00 179.24 178.92 3itq h GLU 51 N 1.22 0.87 -0.84 3.56 4.57 -1.99 -1.82 114.58 120.14 3itq h GLU 51 Ca 0.39 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 3itq h GLU 51 Cb 0.03 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 3itq h GLU 51 CO -0.13 0.73 0.55 0.93 -1.18 0.00 0.00 179.01 179.92 3itq h GLU 52 N 0.80 1.09 -0.52 1.92 5.08 -1.79 -0.44 114.58 120.72 3itq h GLU 52 Ca 0.20 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3itq h GLU 52 Cb 0.18 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3itq h GLU 52 CO -0.02 0.72 0.29 0.00 -1.00 0.00 0.00 179.01 179.00 3itq h ASP 54 N 0.58 0.82 -0.44 0.00 3.32 -0.92 -2.44 116.42 117.35 3itq h ASP 54 Ca 0.21 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3itq h ASP 54 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3itq h ASP 54 CO -0.12 0.91 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.83 3itq h GLU 55 N 0.78 0.92 -0.76 3.56 5.08 -0.58 -1.06 114.58 122.52 3itq h GLU 55 Ca 0.14 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 3itq h GLU 55 Cb 0.51 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3itq h GLU 55 CO 0.03 1.00 0.31 -0.07 -1.00 0.00 0.00 179.01 179.28 3itq h LEU 56 N 0.82 1.03 -0.22 1.33 3.38 -1.04 -0.76 115.31 119.83 3itq h LEU 56 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3itq h LEU 56 Cb 0.69 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3itq h LEU 56 CO 0.05 0.90 0.10 0.40 0.09 0.00 0.00 178.44 179.98 3itq h ILE 57 N 1.10 1.16 -0.67 1.22 2.04 -1.25 -1.96 117.51 119.14 3itq h ILE 57 Ca 0.25 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.72 3itq h ILE 57 Cb 0.19 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3itq h ILE 57 CO -0.02 0.15 0.36 -0.33 0.00 0.00 0.00 178.15 178.31 3itq h GLU 58 N 0.22 0.64 -0.36 2.37 5.08 -0.90 -1.74 114.58 119.89 3itq h GLU 58 Ca 0.08 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3itq h GLU 58 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3itq h GLU 58 CO -0.01 0.42 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.14 3itq h LEU 59 N 0.66 0.70 -0.58 1.33 3.38 -0.99 -1.20 115.31 118.61 3itq h LEU 59 Ca 0.30 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3itq h LEU 59 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3itq h LEU 59 CO -0.20 0.91 -0.25 0.77 0.09 0.00 0.00 178.44 179.76 3itq h SER 60 N 0.61 0.89 -0.57 -0.43 4.64 -1.02 0.26 113.55 117.93 3itq h SER 60 Ca 0.09 -0.34 -0.09 0.00 -0.47 0.00 0.00 61.79 60.98 3itq h SER 60 Cb 0.70 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3itq h SER 60 CO 0.05 1.09 0.03 0.11 -0.87 0.00 0.00 176.83 177.25 3itq h LYS 61 N 0.74 1.01 -0.31 4.77 1.57 -0.90 -1.53 116.57 121.92 3itq h LYS 61 Ca 0.09 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 3itq h LYS 61 Cb 0.79 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3itq h LYS 61 CO 0.07 0.97 -0.06 0.77 -0.57 0.00 0.00 179.45 180.62 3itq h SER 62 N 0.93 0.59 -0.87 0.86 0.02 -1.05 -2.99 113.55 111.05 3itq h SER 62 Ca 0.18 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3itq h SER 62 Cb 0.49 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 3itq h SER 62 CO 0.02 0.80 0.48 0.50 -1.14 0.00 0.00 176.83 177.50 3itq h LYS 63 N 0.36 1.20 -0.68 3.45 1.63 -0.70 -2.72 116.57 119.11 3itq h LYS 63 Ca 0.08 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3itq h LYS 63 Cb 0.54 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3itq h LYS 63 CO 0.03 0.88 0.00 1.28 -3.45 0.00 0.00 179.45 178.18 3itq n LEU 64 N -4.37 2.79 -4.29 5.20 4.77 -0.60 -5.10 117.00 115.41 3itq n LEU 64 Ca 0.09 -1.41 -0.44 0.00 -0.03 0.00 0.00 56.01 54.22 3itq n LEU 64 Cb 0.09 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3itq n LEU 64 CO 0.38 0.43 1.04 0.00 -1.33 0.00 0.00 177.39 177.92 3itq n ALA 65 N 0.34 4.38 -2.62 -1.18 0.00 -1.03 -5.04 120.51 115.36 3itq n ALA 65 Ca 0.12 -4.58 -0.42 0.00 0.00 0.00 0.00 53.44 48.56 3itq n ALA 65 Cb 0.57 -2.60 0.01 0.00 0.00 0.00 0.00 19.45 17.43 3itq n ALA 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3itq n VAL 75 N 2.91 5.07 -2.42 0.00 0.24 -1.26 -5.04 118.33 117.83 3itq n VAL 75 Ca 0.28 -5.24 0.00 0.00 -2.04 0.00 0.00 64.34 57.34 3itq n VAL 75 Cb 0.39 -2.12 0.00 0.00 -1.47 0.00 0.00 33.84 30.64 3itq n VAL 75 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3itq n ASN 76 N 2.10 0.00 -0.69 -1.34 0.23 -1.26 -5.04 115.26 109.26 3itq n ASN 76 Ca 0.37 -0.93 0.05 0.00 -0.53 0.00 0.00 54.58 53.54 3itq n ASN 76 Cb 0.33 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.13 3itq n ASN 76 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3itq n ASP 77 N -2.80 1.37 -0.20 0.53 8.00 -1.26 -4.85 116.55 117.33 3itq n ASP 77 Ca 0.00 -2.89 0.01 0.00 0.71 0.00 0.00 54.79 52.63 3itq n ASP 77 Cb 0.00 -0.39 0.12 0.00 -0.02 0.00 0.00 41.12 40.83 3itq n ASP 77 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3itq h ILE 78 N 3.38 0.58 0.00 0.53 2.04 -1.96 -1.41 117.51 120.66 3itq h ILE 78 Ca -0.06 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3itq h ILE 78 Cb 1.30 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3itq h ILE 78 CO 0.03 0.04 -0.08 0.03 0.00 0.00 0.00 178.15 178.17 3itq h ARG 79 N 0.21 0.00 -0.01 2.37 3.08 -1.89 0.21 114.38 118.36 3itq h ARG 79 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3itq h ARG 79 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3itq h ARG 79 CO -0.45 0.08 -0.13 0.25 -1.07 0.00 0.00 179.97 178.64 3itq n THR 80 N -4.30 0.00 0.00 2.04 -2.24 -0.97 -1.11 114.28 107.70 3itq n THR 80 Ca -0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3itq n THR 80 Cb 0.16 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3itq n THR 80 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3itq n SER 81 N -0.07 0.00 0.08 3.42 3.41 -0.57 -4.94 113.62 114.95 3itq n SER 81 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.61 3itq n SER 81 Cb 0.19 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 3itq n SER 81 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3itq h SER 82 N 0.00 0.00 -4.17 4.04 4.64 -1.73 -3.50 113.55 112.82 3itq h SER 82 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3itq h SER 82 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3itq h SER 82 CO 0.00 0.86 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 3itq n GLY 83 N 1.24 -1.81 3.67 -0.77 0.00 0.74 -4.83 105.19 103.43 3itq n GLY 83 Ca 0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 3itq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itq s ALA 84 N -3.56 3.63 -0.24 4.61 0.00 0.26 -4.68 121.76 121.78 3itq s ALA 84 Ca 0.00 1.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.83 3itq s ALA 84 Cb 0.00 -3.75 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 3itq s ALA 84 CO 0.00 -1.33 0.79 0.12 0.00 0.00 0.00 175.76 175.34 3itq s PHE 85 N 3.65 3.32 0.14 0.00 2.19 -1.26 -1.02 117.98 124.98 3itq s PHE 85 Ca 0.77 1.09 -0.27 0.00 0.33 0.00 0.00 56.93 58.84 3itq s PHE 85 Cb -0.37 -3.01 -0.07 0.00 -1.31 0.00 0.00 43.02 38.26 3itq s PHE 85 CO 0.33 -0.37 0.85 -0.51 1.83 0.00 0.00 175.22 177.35 3itq s LEU 86 N 2.70 4.54 0.42 6.12 1.43 -0.99 -5.01 118.68 127.90 3itq s LEU 86 Ca 0.34 1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.87 3itq s LEU 86 Cb -0.15 -3.41 -0.08 0.00 0.03 0.00 0.00 46.19 42.57 3itq s LEU 86 CO 0.08 0.08 1.34 -1.81 0.23 0.00 0.00 176.35 176.27 3itq s ASP 87 N -0.59 6.16 0.13 2.29 1.01 -1.26 -4.81 116.67 119.60 3itq s ASP 87 Ca 0.40 2.72 -0.31 0.00 0.71 0.00 0.00 52.55 56.07 3itq s ASP 87 Cb -0.23 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 40.96 3itq s ASP 87 CO 0.27 -0.96 1.68 -1.81 0.21 0.00 0.00 175.17 174.56 3itq s ASP 88 N -0.69 6.52 0.20 0.27 1.01 -1.26 -4.87 116.67 117.85 3itq s ASP 88 Ca 0.59 2.64 -0.01 0.00 0.71 0.00 0.00 52.55 56.48 3itq s ASP 88 Cb -0.39 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 40.96 3itq s ASP 88 CO 0.51 -0.91 0.28 -0.46 0.21 0.00 0.00 175.17 174.80 3itq n ASN 89 N 4.88 -0.77 -0.07 0.27 0.23 -1.26 -5.03 115.26 113.50 3itq n ASN 89 Ca 0.16 -2.08 -0.02 0.00 -0.53 0.00 0.00 54.58 52.11 3itq n ASN 89 Cb 0.39 1.45 0.24 0.00 -2.08 0.00 0.00 39.78 39.77 3itq n ASN 89 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3itq h GLU 90 N 0.00 0.69 0.01 -3.83 4.22 -1.99 -1.99 114.58 111.69 3itq h GLU 90 Ca -0.15 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.14 3itq h GLU 90 Cb 0.68 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3itq h GLU 90 CO 0.21 0.66 -0.00 1.25 -2.18 0.00 0.00 179.01 178.94 3itq h LEU 91 N 0.66 -0.01 -0.78 1.64 5.85 -1.97 0.09 115.31 120.79 3itq h LEU 91 Ca 0.14 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3itq h LEU 91 Cb 0.31 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3itq h LEU 91 CO 0.00 0.06 0.10 0.71 -0.34 0.00 0.00 178.44 178.97 3itq h THR 92 N -0.07 1.26 -0.74 1.05 1.35 -1.87 -1.47 112.91 112.42 3itq h THR 92 Ca -0.00 -1.00 -0.04 0.00 -0.55 0.00 0.00 66.41 64.82 3itq h THR 92 Cb 0.07 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 67.12 3itq h THR 92 CO 0.00 0.37 0.30 0.00 -0.25 0.00 0.00 175.52 175.95 3itq h ALA 93 N 1.14 0.96 -0.19 6.62 0.00 -1.21 0.89 119.26 127.47 3itq h ALA 93 Ca 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3itq h ALA 93 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3itq h ALA 93 CO 0.01 0.58 0.06 -0.22 0.00 0.00 0.00 179.25 179.67 3itq h LYS 94 N 1.06 0.30 -0.43 0.00 3.64 -0.70 -0.90 116.57 119.54 3itq h LYS 94 Ca 0.25 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3itq h LYS 94 Cb 0.20 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3itq h LYS 94 CO -0.02 0.41 -0.09 0.82 -2.27 0.00 0.00 179.45 178.30 3itq h ILE 95 N 0.14 1.27 -0.33 2.00 2.04 -1.12 -2.08 117.51 119.43 3itq h ILE 95 Ca 0.06 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 3itq h ILE 95 Cb 0.24 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3itq h ILE 95 CO -0.00 0.40 0.03 -0.33 0.00 0.00 0.00 178.15 178.25 3itq h GLU 96 N 0.66 0.49 -0.22 2.37 5.08 -0.68 0.75 114.58 123.03 3itq h GLU 96 Ca 0.11 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3itq h GLU 96 Cb 0.62 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3itq h GLU 96 CO 0.04 0.50 0.05 -0.22 -1.00 0.00 0.00 179.01 178.38 3itq h LYS 97 N 0.48 0.36 -0.50 2.33 3.64 -0.98 -0.34 116.57 121.57 3itq h LYS 97 Ca 0.11 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3itq h LYS 97 Cb 0.27 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3itq h LYS 97 CO 0.01 0.49 0.33 -0.09 -2.27 0.00 0.00 179.45 177.91 3itq h ARG 98 N 0.17 0.65 -0.98 1.90 2.43 -0.76 -2.50 114.38 115.29 3itq h ARG 98 Ca 0.07 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3itq h ARG 98 Cb 0.29 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3itq h ARG 98 CO 0.00 0.43 0.64 0.82 -1.51 0.00 0.00 179.97 180.36 3itq h ILE 99 N 0.67 1.20 -0.70 1.20 2.04 -0.77 -2.09 117.51 119.06 3itq h ILE 99 Ca 0.18 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3itq h ILE 99 Cb -0.07 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 35.79 3itq h ILE 99 CO -0.04 0.23 0.42 -1.28 0.00 0.00 0.00 178.15 177.48 3itq h SER 100 N 1.27 0.83 -0.48 1.72 0.87 -0.62 -2.14 113.55 115.00 3itq h SER 100 Ca 0.38 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.85 3itq h SER 100 Cb -0.06 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3itq h SER 100 CO -0.11 0.64 0.12 0.28 -0.53 0.00 0.00 176.83 177.23 3itq h SER 101 N 0.96 0.72 0.00 6.23 0.02 -1.09 -0.18 113.55 120.20 3itq h SER 101 Ca 0.25 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3itq h SER 101 Cb -0.04 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3itq h SER 101 CO -0.05 0.76 0.00 -0.38 -1.14 0.00 0.00 176.83 176.02 3itq n ILE 102 N -4.49 0.00 0.00 3.27 5.41 -0.81 -4.88 119.36 117.87 3itq n ILE 102 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3itq n ILE 102 Cb 0.22 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 3itq n ILE 102 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3itq n ASN 104 N -0.15 0.00 -3.84 4.38 4.13 -0.09 -4.74 115.26 114.96 3itq n ASN 104 Ca 0.00 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.11 3itq n ASN 104 Cb 0.01 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.10 3itq n ASN 104 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3itq s VAL 105 N 0.00 0.10 0.60 2.41 1.01 -1.18 -4.96 120.40 118.37 3itq s VAL 105 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 3itq s VAL 105 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3itq s VAL 105 CO 0.00 0.09 1.30 -2.65 0.00 0.00 0.00 175.10 173.84 3itq n PRO 106 N 3.70 1.37 0.30 2.72 -0.02 -1.26 -4.50 135.00 137.31 3itq n PRO 106 Ca -0.21 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 61.97 3itq n PRO 106 Cb 0.54 -2.53 1.00 0.00 -0.02 0.00 0.00 33.50 32.50 3itq n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3itq h ALA 107 N 0.95 1.37 0.00 3.55 0.00 -1.93 -0.87 119.26 122.34 3itq h ALA 107 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3itq h ALA 107 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3itq h ALA 107 CO 0.55 -0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.36 3itq h SER 108 N 0.00 0.00 0.23 0.00 4.64 -1.93 -0.11 113.55 116.37 3itq h SER 108 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3itq h SER 108 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3itq h SER 108 CO -0.00 0.00 -0.34 1.41 -0.87 0.00 0.00 176.83 177.03 3itq n HIS 109 N -2.58 0.00 -2.98 4.77 8.25 -0.33 -1.00 115.22 121.34 3itq n HIS 109 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 3itq n HIS 109 Cb 0.07 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 3itq n HIS 109 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3itq s GLY 110 N -2.57 2.12 0.13 -1.41 0.00 -0.06 -0.72 107.32 104.81 3itq s GLY 110 Ca 0.21 -0.09 0.26 0.00 0.00 0.00 0.00 44.72 45.10 3itq s GLY 110 CO 0.56 0.10 1.79 1.18 0.00 0.00 0.00 173.10 176.74 3itq n GLU 111 N -0.88 0.15 0.00 2.90 1.02 -0.37 -4.74 120.64 118.71 3itq n GLU 111 Ca 0.03 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3itq n GLU 111 Cb 0.54 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3itq n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3itq n GLY 112 N 1.11 0.75 3.72 0.62 0.00 -1.26 -4.94 105.19 105.19 3itq n GLY 112 Ca 0.05 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3itq n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itq s LEU 113 N -1.22 4.37 -0.06 0.99 1.43 -1.26 -4.68 118.68 118.25 3itq s LEU 113 Ca 0.00 2.44 0.05 0.00 -1.03 0.00 0.00 54.13 55.59 3itq s LEU 113 Cb 0.00 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 3itq s LEU 113 CO 0.00 -0.72 -0.23 -1.00 0.23 0.00 0.00 176.35 174.63 3itq s HIS 114 N 1.13 2.49 -0.18 0.29 3.76 -0.87 -2.34 115.29 119.57 3itq s HIS 114 Ca 0.67 -0.69 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 3itq s HIS 114 Cb -0.39 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 3itq s HIS 114 CO 0.31 -0.20 -0.02 0.42 -0.85 0.00 0.00 174.74 174.40 3itq s ILE 115 N -0.15 3.86 0.10 0.60 -1.09 -0.19 -0.67 121.20 123.65 3itq s ILE 115 Ca -0.04 -0.36 0.10 0.00 -2.23 0.00 0.00 60.65 58.13 3itq s ILE 115 Cb -0.14 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 3itq s ILE 115 CO 0.04 0.46 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.19 3itq s LEU 116 N 0.76 2.35 -0.01 2.97 1.02 -0.22 -0.57 118.68 124.98 3itq s LEU 116 Ca -0.01 -0.66 -0.02 0.00 0.02 0.00 0.00 54.13 53.47 3itq s LEU 116 Cb -0.14 -1.30 -0.00 0.00 0.02 0.00 0.00 46.19 44.76 3itq s LEU 116 CO 0.02 0.21 0.03 0.54 0.02 0.00 0.00 176.35 177.17 3itq s ASN 117 N -1.82 0.02 -0.12 2.29 4.22 -0.27 -0.98 114.94 118.29 3itq s ASN 117 Ca 0.14 -0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.81 3itq s ASN 117 Cb -0.10 0.10 0.02 0.00 1.28 0.00 0.00 41.25 42.55 3itq s ASN 117 CO 0.05 -0.10 -0.11 -0.31 -2.04 0.00 0.00 177.10 174.59 3itq s TYR 118 N -0.37 1.79 0.78 1.54 2.02 0.43 -4.33 117.35 119.20 3itq s TYR 118 Ca -0.04 -0.92 -0.05 0.00 -0.37 0.00 0.00 57.07 55.69 3itq s TYR 118 Cb -0.03 -1.37 0.14 0.00 -0.40 0.00 0.00 41.96 40.30 3itq s TYR 118 CO -0.00 -0.54 1.07 -1.21 -1.57 0.00 0.00 175.55 173.30 3itq s GLU 119 N 1.43 1.47 0.17 -0.62 0.41 -1.26 -0.92 118.70 119.38 3itq s GLU 119 Ca 0.01 -0.85 -0.33 0.00 -0.41 0.00 0.00 54.97 53.39 3itq s GLU 119 Cb -0.13 -2.20 -0.16 0.00 -1.78 0.00 0.00 34.13 29.86 3itq s GLU 119 CO -0.07 -1.66 1.12 0.28 -0.49 0.00 0.00 175.26 174.44 3itq n VAL 120 N -3.07 0.97 -1.50 2.63 0.31 -1.24 -1.22 118.33 115.22 3itq n VAL 120 Ca 0.14 -0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 3itq n VAL 120 Cb 0.60 -0.78 -0.05 0.00 -0.91 0.00 0.00 33.84 32.70 3itq n VAL 120 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3itq n ASP 121 N 1.95 -4.44 -4.56 4.52 8.00 0.30 -4.96 116.55 117.36 3itq n ASP 121 Ca 0.15 0.26 -0.30 0.00 0.71 0.00 0.00 54.79 55.61 3itq n ASP 121 Cb 0.24 -3.14 -0.10 0.00 -0.02 0.00 0.00 41.12 38.10 3itq n ASP 121 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3itq s GLN 122 N -3.31 2.16 0.36 -1.24 -0.21 -0.35 -4.95 119.66 112.12 3itq s GLN 122 Ca 0.00 -0.98 -0.12 0.00 0.02 0.00 0.00 55.36 54.28 3itq s GLN 122 Cb 0.00 -2.31 0.03 0.00 1.00 0.00 0.00 33.01 31.74 3itq s GLN 122 CO 0.00 0.53 0.68 1.14 -2.12 0.00 0.00 175.29 175.51 3itq s GLN 123 N -1.97 2.07 -0.02 2.91 -2.07 -1.26 -2.26 119.66 117.07 3itq s GLN 123 Ca 0.19 -1.49 0.02 0.00 -1.82 0.00 0.00 55.36 52.27 3itq s GLN 123 Cb -0.11 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.38 3itq s GLN 123 CO 0.11 -0.94 -0.06 1.52 -1.32 0.00 0.00 175.29 174.61 3itq s TYR 124 N -2.74 0.61 0.54 9.60 -0.85 -0.66 -4.95 117.35 118.90 3itq s TYR 124 Ca 0.20 -0.13 -0.20 0.00 -0.52 0.00 0.00 57.07 56.42 3itq s TYR 124 Cb -0.04 -0.45 -0.06 0.00 0.38 0.00 0.00 41.96 41.80 3itq s TYR 124 CO 0.13 -0.06 1.14 -1.59 -1.52 0.00 0.00 175.55 173.66 3itq s LYS 125 N 0.18 3.37 0.25 -3.49 -2.85 -1.26 -1.41 119.74 114.53 3itq s LYS 125 Ca -0.02 1.66 -0.31 0.00 -1.00 0.00 0.00 55.97 56.30 3itq s LYS 125 Cb -0.06 -2.05 -0.12 0.00 -2.06 0.00 0.00 37.83 33.53 3itq s LYS 125 CO -0.00 -0.84 1.58 0.00 0.10 0.00 0.00 175.35 176.18 3itq n ALA 126 N -1.22 2.15 -3.09 0.59 0.00 -1.26 -4.64 120.51 113.04 3itq n ALA 126 Ca 0.11 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 3itq n ALA 126 Cb 0.50 -2.42 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 3itq n ALA 126 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3itq s HIS 127 N 0.34 0.55 0.08 0.00 -0.00 -0.12 -4.84 115.29 111.29 3itq s HIS 127 Ca 0.69 -0.89 -0.06 0.00 -0.00 0.00 0.00 55.06 54.80 3itq s HIS 127 Cb -0.55 0.12 -0.05 0.00 -0.00 0.00 0.00 32.58 32.09 3itq s HIS 127 CO 0.44 -1.03 0.33 0.71 -0.00 0.00 0.00 174.74 175.19 3itq s TYR 128 N -3.74 3.53 -0.06 0.38 2.02 -1.26 -1.48 117.35 116.73 3itq s TYR 128 Ca 0.25 0.58 0.13 0.00 -0.37 0.00 0.00 57.07 57.65 3itq s TYR 128 Cb -0.00 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 3itq s TYR 128 CO 0.12 0.52 1.40 -0.44 -1.57 0.00 0.00 175.55 175.58 3itq h ASP 129 N 3.38 0.00 -4.17 2.29 3.32 -1.95 -3.46 116.42 115.83 3itq h ASP 129 Ca -0.48 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.10 3itq h ASP 129 Cb 1.18 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.76 3itq h ASP 129 CO 0.70 0.65 0.37 -0.72 -1.72 0.00 0.00 179.24 178.52 3itq s TYR 130 N -2.91 3.24 0.48 4.55 -0.85 -1.26 -4.85 117.35 115.76 3itq s TYR 130 Ca 0.03 1.50 -0.17 0.00 -0.52 0.00 0.00 57.07 57.91 3itq s TYR 130 Cb 0.08 -2.90 -0.08 0.00 0.38 0.00 0.00 41.96 39.44 3itq s TYR 130 CO 0.77 -0.64 0.95 -0.06 -1.52 0.00 0.00 175.55 175.04 3itq s PHE 131 N -2.47 3.42 0.53 -3.49 0.08 -1.26 -5.03 117.98 109.76 3itq s PHE 131 Ca 0.61 1.45 -0.21 0.00 0.12 0.00 0.00 56.93 58.91 3itq s PHE 131 Cb -0.12 -2.76 -0.06 0.00 -0.57 0.00 0.00 43.02 39.51 3itq s PHE 131 CO 0.31 -0.27 1.19 0.00 -0.10 0.00 0.00 175.22 176.34 3itq s ALA 132 N -2.48 2.75 0.46 5.36 0.00 -1.26 -4.86 121.76 121.73 3itq s ALA 132 Ca 0.59 0.97 0.27 0.00 0.00 0.00 0.00 51.96 53.78 3itq s ALA 132 Cb -0.10 -3.42 1.31 0.00 0.00 0.00 0.00 23.12 20.92 3itq s ALA 132 CO 0.27 -0.91 1.78 1.49 0.00 0.00 0.00 175.76 178.39 3itq h GLU 133 N 1.40 0.20 0.00 0.00 4.81 -1.97 0.94 114.58 119.97 3itq h GLU 133 Ca -0.50 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3itq h GLU 133 Cb 1.27 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 3itq h GLU 133 CO 0.57 0.13 -0.02 1.12 -0.73 0.00 0.00 179.01 180.09 3itq h HIS 134 N 0.21 0.00 -4.11 0.92 2.07 -2.00 -3.47 115.15 108.77 3itq h HIS 134 Ca 0.59 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.58 3itq h HIS 134 Cb 1.86 0.00 0.11 0.00 2.57 0.00 0.00 27.41 31.95 3itq h HIS 134 CO -0.00 0.02 0.46 0.45 -3.07 0.00 0.00 177.93 175.79 3itq s SER 135 N -6.01 5.14 0.25 3.10 0.15 0.32 -4.94 113.70 111.71 3itq s SER 135 Ca 0.04 2.36 -0.03 0.00 0.70 0.00 0.00 55.95 59.02 3itq s SER 135 Cb 0.07 -2.59 0.44 0.00 -1.71 0.00 0.00 66.02 62.22 3itq s SER 135 CO 0.62 -1.63 1.79 -0.09 1.20 0.00 0.00 173.24 175.14 3itq h ARG 136 N 0.77 0.71 -0.01 5.44 2.43 -1.93 -2.34 114.38 119.45 3itq h ARG 136 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3itq h ARG 136 Cb 1.29 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3itq h ARG 136 CO 0.55 0.47 -0.07 0.43 -1.51 0.00 0.00 179.97 179.84 3itq n SER 137 N -4.78 1.08 0.22 -3.80 7.64 -1.26 -4.22 113.62 108.50 3itq n SER 137 Ca 0.15 -1.19 0.15 0.00 1.01 0.00 0.00 58.87 58.99 3itq n SER 137 Cb 0.32 0.02 0.58 0.00 -1.01 0.00 0.00 64.21 64.13 3itq n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3itq h ALA 138 N 4.07 1.00 0.00 -0.43 0.00 -1.66 -2.89 119.26 119.34 3itq h ALA 138 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3itq h ALA 138 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3itq h ALA 138 CO 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.00 3itq h ALA 139 N 2.11 1.08 -2.14 0.00 0.00 -1.76 -3.19 119.26 115.35 3itq h ALA 139 Ca 0.00 -0.22 -0.58 0.00 0.00 0.00 0.00 54.91 54.11 3itq h ALA 139 Cb 0.50 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.85 3itq h ALA 139 CO 0.00 0.31 -0.89 -1.71 0.00 0.00 0.00 179.25 176.96 3itq n ASN 140 N -3.50 1.59 -4.82 0.00 5.15 -1.10 -5.04 115.26 107.54 3itq n ASN 140 Ca -0.00 -2.97 -0.31 0.00 -0.60 0.00 0.00 54.58 50.69 3itq n ASN 140 Cb 0.41 -0.65 0.06 0.00 -0.53 0.00 0.00 39.78 39.06 3itq n ASN 140 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3itq s ASN 141 N -1.60 5.22 0.49 1.20 3.84 -1.21 -4.56 114.94 118.31 3itq s ASN 141 Ca 0.36 1.52 -0.24 0.00 0.21 0.00 0.00 52.86 54.71 3itq s ASN 141 Cb 0.15 -2.37 -0.07 0.00 -0.55 0.00 0.00 41.25 38.41 3itq s ASN 141 CO -0.08 -1.53 1.37 -0.13 -2.79 0.00 0.00 177.10 173.94 3itq s ARG 142 N -5.09 3.49 0.00 0.43 0.52 -1.26 -1.08 118.95 115.96 3itq s ARG 142 Ca 0.58 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 58.08 3itq s ARG 142 Cb -0.14 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.84 3itq s ARG 142 CO 0.55 -0.93 0.00 0.44 0.02 0.00 0.00 175.30 175.38 3itq n ILE 143 N -0.52 0.00 -3.48 1.52 -5.35 0.47 -4.75 119.36 107.24 3itq n ILE 143 Ca 0.07 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.44 3itq n ILE 143 Cb 0.44 0.08 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 3itq n ILE 143 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3itq s SER 144 N -2.25 -0.48 -0.00 7.28 1.04 -1.21 -1.14 113.70 116.94 3itq s SER 144 Ca 0.00 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.57 3itq s SER 144 Cb 0.00 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3itq s SER 144 CO 0.00 -0.72 -0.08 -0.89 0.98 0.00 0.00 173.24 172.53 3itq s THR 145 N -2.95 0.60 -0.15 2.02 2.01 -0.15 -1.67 115.64 115.33 3itq s THR 145 Ca 0.01 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.64 3itq s THR 145 Cb -0.01 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.99 3itq s THR 145 CO -0.07 0.13 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.59 3itq s LEU 146 N -0.29 2.37 0.54 4.42 2.96 -0.33 -1.55 118.68 126.79 3itq s LEU 146 Ca 0.02 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3itq s LEU 146 Cb -0.03 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.17 3itq s LEU 146 CO -0.00 0.07 0.49 -0.69 -1.32 0.00 0.00 176.35 174.90 3itq s VAL 147 N 0.87 1.84 -0.09 1.68 1.01 -0.19 -1.25 120.40 124.27 3itq s VAL 147 Ca -0.05 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 3itq s VAL 147 Cb -0.15 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.06 3itq s VAL 147 CO -0.02 0.00 0.19 -0.31 0.00 0.00 0.00 175.10 174.96 3itq s TYR 149 N -2.73 -0.24 -1.73 5.22 2.02 -1.26 -0.65 117.35 117.98 3itq s TYR 149 Ca 0.41 0.66 0.23 0.00 -0.37 0.00 0.00 57.07 58.00 3itq s TYR 149 Cb -0.03 -0.11 0.00 0.00 -0.40 0.00 0.00 41.96 41.42 3itq s TYR 149 CO 0.26 -0.24 1.08 1.28 -1.57 0.00 0.00 175.55 176.36 3itq n LEU 150 N 4.76 1.66 -3.88 -1.29 4.77 -0.13 -1.37 117.00 121.52 3itq n LEU 150 Ca -0.16 -0.64 -0.08 0.00 -0.03 0.00 0.00 56.01 55.11 3itq n LEU 150 Cb 0.51 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3itq n LEU 150 CO 0.10 0.33 0.40 0.54 -1.33 0.00 0.00 177.39 177.42 3itq s ASN 151 N -2.63 -0.23 0.01 -1.43 4.22 -1.25 -4.60 114.94 109.04 3itq s ASN 151 Ca 0.16 -0.67 -0.19 0.00 -2.14 0.00 0.00 52.86 50.01 3itq s ASN 151 Cb 0.18 0.69 -0.06 0.00 1.28 0.00 0.00 41.25 43.34 3itq s ASN 151 CO 0.65 -1.29 0.56 -1.81 -2.04 0.00 0.00 177.10 173.17 3itq s ASP 152 N -2.94 6.96 -0.24 3.54 1.01 -1.26 -3.57 116.67 120.17 3itq s ASP 152 Ca 0.13 1.14 -0.07 0.00 0.71 0.00 0.00 52.55 54.46 3itq s ASP 152 Cb -0.05 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 3itq s ASP 152 CO 0.07 0.17 0.06 -0.69 0.21 0.00 0.00 175.17 174.99 3itq s VAL 153 N -0.48 4.31 0.18 -1.27 1.01 -1.26 -4.74 120.40 118.15 3itq s VAL 153 Ca 0.29 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 3itq s VAL 153 Cb -0.18 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.29 3itq s VAL 153 CO 0.17 0.35 1.69 -0.08 0.00 0.00 0.00 175.10 177.23 3itq h GLU 154 N 8.08 0.11 -2.23 2.72 4.81 -1.80 -3.43 114.58 122.84 3itq h GLU 154 Ca -0.38 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 3itq h GLU 154 Cb 1.17 -0.02 -0.22 0.00 0.63 0.00 0.00 28.75 30.31 3itq h GLU 154 CO 0.59 0.07 -0.03 -2.00 -0.73 0.00 0.00 179.01 176.91 3itq s GLU 155 N -6.18 0.68 0.62 1.92 2.12 -0.71 -4.91 118.70 112.23 3itq s GLU 155 Ca -0.13 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.14 3itq s GLU 155 Cb 0.15 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.79 3itq s GLU 155 CO 0.72 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 3itq n GLY 156 N 3.32 -1.82 2.08 -1.50 0.00 -1.26 -0.91 105.19 105.10 3itq n GLY 156 Ca -0.16 -1.75 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 3itq n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itq n GLY 157 N 0.00 0.46 3.76 -0.02 0.00 -0.80 -4.76 105.19 103.83 3itq n GLY 157 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3itq n GLY 157 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3itq s GLU 158 N -0.26 3.39 -0.33 1.61 1.03 -1.26 -4.52 118.70 118.37 3itq s GLU 158 Ca 0.00 2.02 -0.23 0.00 0.03 0.00 0.00 54.97 56.79 3itq s GLU 158 Cb 0.00 -2.30 0.00 0.00 -0.80 0.00 0.00 34.13 31.03 3itq s GLU 158 CO 0.00 -0.92 0.77 0.99 -1.33 0.00 0.00 175.26 174.77 3itq s THR 159 N -1.42 4.78 0.03 1.83 2.01 -0.00 -0.42 115.64 122.45 3itq s THR 159 Ca 0.68 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.80 3itq s THR 159 Cb -0.35 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 67.98 3itq s THR 159 CO 0.41 -0.31 -0.22 0.72 -0.69 0.00 0.00 174.62 174.53 3itq s PHE 160 N 2.98 1.96 -0.51 4.92 -0.12 -0.31 -0.56 117.98 126.33 3itq s PHE 160 Ca 0.31 -0.38 -0.02 0.00 -0.05 0.00 0.00 56.93 56.79 3itq s PHE 160 Cb -0.14 -1.18 0.13 0.00 -0.63 0.00 0.00 43.02 41.20 3itq s PHE 160 CO 0.14 0.08 0.31 -0.06 -0.05 0.00 0.00 175.22 175.63 3itq s PHE 161 N -0.75 3.49 0.27 3.49 0.08 0.17 -0.50 117.98 124.23 3itq s PHE 161 Ca 0.09 -2.64 0.23 0.00 0.12 0.00 0.00 56.93 54.73 3itq s PHE 161 Cb -0.09 -3.17 1.03 0.00 -0.57 0.00 0.00 43.02 40.22 3itq s PHE 161 CO 0.01 -0.90 1.89 -1.00 -0.10 0.00 0.00 175.22 175.13 3itq h PRO 162 N 7.46 0.00 0.00 0.24 0.13 -1.83 -0.12 132.00 137.87 3itq h PRO 162 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3itq h PRO 162 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3itq h PRO 162 CO 0.70 0.24 -0.02 1.63 -0.23 0.00 0.00 178.00 180.32 3itq n LYS 163 N -3.59 0.09 -0.00 0.86 5.02 -1.26 -3.38 118.16 115.90 3itq n LYS 163 Ca -0.01 0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 3itq n LYS 163 Cb 0.38 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 3itq n LYS 163 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3itq n LEU 164 N -1.77 0.32 -3.61 -0.35 4.77 -0.68 -5.01 117.00 110.67 3itq n LEU 164 Ca 0.06 -0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 55.53 3itq n LEU 164 Cb 0.37 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3itq n LEU 164 CO 0.28 0.08 0.15 -3.20 -1.33 0.00 0.00 177.39 173.37 3itq n ASN 165 N -1.54 -4.26 -4.18 -1.43 2.85 -0.14 -5.02 115.26 101.53 3itq n ASN 165 Ca 0.00 -0.63 -0.27 0.00 -0.11 0.00 0.00 54.58 53.57 3itq n ASN 165 Cb 0.24 -4.77 -0.16 0.00 1.24 0.00 0.00 39.78 36.32 3itq n ASN 165 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3itq s LEU 166 N -6.96 1.98 0.07 1.20 2.96 -1.16 -5.02 118.68 111.75 3itq s LEU 166 Ca 0.36 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3itq s LEU 166 Cb -0.16 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 3itq s LEU 166 CO 0.76 0.20 -0.12 -0.94 -1.32 0.00 0.00 176.35 174.92 3itq s SER 167 N -0.13 1.49 -0.11 3.68 1.04 -1.26 -0.65 113.70 117.75 3itq s SER 167 Ca -0.01 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.82 3itq s SER 167 Cb -0.11 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 65.99 3itq s SER 167 CO 0.02 -0.13 -0.22 -0.69 0.98 0.00 0.00 173.24 173.20 3itq s VAL 168 N -1.47 1.98 -0.01 5.02 1.01 0.27 -4.98 120.40 122.21 3itq s VAL 168 Ca -0.02 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 3itq s VAL 168 Cb -0.09 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3itq s VAL 168 CO 0.02 0.54 0.32 -1.00 0.00 0.00 0.00 175.10 174.97 3itq s HIS 169 N 0.58 3.65 0.41 5.22 3.76 -1.26 -0.82 115.29 126.82 3itq s HIS 169 Ca -0.14 0.78 -0.27 0.00 -0.15 0.00 0.00 55.06 55.28 3itq s HIS 169 Cb -0.17 -2.13 -0.10 0.00 1.11 0.00 0.00 32.58 31.29 3itq s HIS 169 CO 0.04 0.64 1.48 -2.30 -0.85 0.00 0.00 174.74 173.75 3itq n PRO 170 N 1.57 2.54 -3.67 8.40 -0.02 -1.26 -4.97 135.00 137.58 3itq n PRO 170 Ca -0.14 0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 3itq n PRO 170 Cb 0.53 -2.67 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 3itq n PRO 170 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3itq s ARG 171 N -2.24 0.39 0.11 -0.52 6.06 -1.26 -4.61 118.95 116.87 3itq s ARG 171 Ca 0.56 0.98 -0.33 0.00 -2.50 0.00 0.00 55.73 54.44 3itq s ARG 171 Cb -0.46 0.22 -0.13 0.00 0.06 0.00 0.00 34.95 34.64 3itq s ARG 171 CO 0.62 -0.21 1.70 1.17 -2.50 0.00 0.00 175.30 176.08 3itq n LYS 172 N 4.90 2.35 -0.61 5.12 4.81 -1.23 -4.58 118.16 128.92 3itq n LYS 172 Ca -0.15 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 3itq n LYS 172 Cb 0.52 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.90 3itq n LYS 172 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3itq n GLY 173 N 3.82 1.19 3.62 3.14 0.00 -0.47 -4.96 105.19 111.53 3itq n GLY 173 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3itq n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itq s ALA 175 N -2.17 -2.24 -0.10 4.61 0.00 -0.15 -0.95 121.76 120.77 3itq s ALA 175 Ca 0.00 1.62 0.04 0.00 0.00 0.00 0.00 51.96 53.62 3itq s ALA 175 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3itq s ALA 175 CO 0.00 -0.68 -0.24 0.54 0.00 0.00 0.00 175.76 175.39 3itq s VAL 176 N -2.13 2.04 -0.07 0.00 0.11 0.18 -0.84 120.40 119.69 3itq s VAL 176 Ca 0.12 -1.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 3itq s VAL 176 Cb 0.01 -1.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 3itq s VAL 176 CO -0.04 0.56 0.06 -0.47 -3.33 0.00 0.00 175.10 171.88 3itq s TYR 177 N 0.39 3.30 0.04 1.54 5.04 0.16 -1.02 117.35 126.80 3itq s TYR 177 Ca -0.18 0.28 -0.14 0.00 -2.44 0.00 0.00 57.07 54.58 3itq s TYR 177 Cb -0.18 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.34 3itq s TYR 177 CO 0.08 0.56 0.32 -0.59 -1.34 0.00 0.00 175.55 174.58 3itq s PHE 178 N -1.00 -0.13 0.09 4.97 -0.12 -0.60 -0.62 117.98 120.57 3itq s PHE 178 Ca 0.16 0.03 0.04 0.00 -0.05 0.00 0.00 56.93 57.12 3itq s PHE 178 Cb -0.12 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.35 3itq s PHE 178 CO 0.06 -0.50 -0.12 -1.83 -0.05 0.00 0.00 175.22 172.78 3itq s GLU 179 N -2.43 0.86 -0.37 1.99 -1.05 -1.03 -0.98 118.70 115.68 3itq s GLU 179 Ca -0.06 -1.11 0.12 0.00 -0.15 0.00 0.00 54.97 53.77 3itq s GLU 179 Cb -0.01 -0.65 0.41 0.00 -0.44 0.00 0.00 34.13 33.44 3itq s GLU 179 CO -0.03 0.12 1.20 2.48 0.95 0.00 0.00 175.26 179.99 3itq n TYR 180 N 0.74 -1.18 -1.77 4.83 0.18 -0.29 -4.45 117.16 115.21 3itq n TYR 180 Ca -0.17 -2.25 -0.09 0.00 1.88 0.00 0.00 57.90 57.26 3itq n TYR 180 Cb 0.57 0.89 0.12 0.00 -0.38 0.00 0.00 39.34 40.54 3itq n TYR 180 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3itq n PHE 181 N -0.38 1.42 -2.68 -3.48 7.35 -1.25 -4.81 117.46 113.62 3itq n PHE 181 Ca 0.02 -1.88 -0.32 0.00 -0.76 0.00 0.00 57.45 54.51 3itq n PHE 181 Cb 0.83 -0.34 -0.05 0.00 0.35 0.00 0.00 39.48 40.28 3itq n PHE 181 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3itq s TYR 182 N -3.42 3.40 0.19 -5.13 2.02 -1.26 -4.96 117.35 108.19 3itq s TYR 182 Ca 0.45 1.42 -0.07 0.00 -0.37 0.00 0.00 57.07 58.50 3itq s TYR 182 Cb 0.39 -2.73 0.10 0.00 -0.40 0.00 0.00 41.96 39.33 3itq s TYR 182 CO -0.01 -0.20 1.58 1.96 -1.57 0.00 0.00 175.55 177.31 3itq h GLN 183 N 1.42 0.84 -6.50 -0.62 4.20 -1.97 -3.39 115.11 109.10 3itq h GLN 183 Ca -0.48 -0.37 -0.55 0.00 0.06 0.00 0.00 58.65 57.31 3itq h GLN 183 Cb 1.18 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.88 3itq h GLN 183 CO 0.62 1.01 1.05 0.34 -0.67 0.00 0.00 178.83 181.18 3itq s ASP 184 N -6.77 6.28 0.55 1.46 -1.08 -1.26 -4.89 116.67 110.97 3itq s ASP 184 Ca -0.10 0.32 0.25 0.00 -0.52 0.00 0.00 52.55 52.50 3itq s ASP 184 Cb 0.12 -2.55 1.58 0.00 -1.46 0.00 0.00 42.92 40.61 3itq s ASP 184 CO 0.85 -1.57 2.18 -0.61 0.52 0.00 0.00 175.17 176.54 3itq h GLN 185 N 10.44 0.00 -0.24 4.34 5.75 -2.02 -1.64 115.11 131.74 3itq h GLN 185 Ca -0.26 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.18 3itq h GLN 185 Cb 1.08 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 3itq h GLN 185 CO 1.16 0.03 -0.10 0.77 -2.65 0.00 0.00 178.83 178.05 3itq h SER 186 N 0.00 0.37 -0.60 -0.69 0.02 -1.94 -1.00 113.55 109.71 3itq h SER 186 Ca -0.00 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3itq h SER 186 Cb 0.08 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3itq h SER 186 CO 0.00 0.51 0.13 -0.07 -1.14 0.00 0.00 176.83 176.27 3itq h LEU 187 N 0.37 0.95 -0.69 5.07 3.38 -1.69 -1.77 115.31 120.93 3itq h LEU 187 Ca 0.07 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3itq h LEU 187 Cb 0.41 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3itq h LEU 187 CO 0.02 0.93 0.16 0.78 0.09 0.00 0.00 178.44 180.43 3itq h ASN 188 N 0.95 1.05 0.60 -0.43 2.35 -1.35 -2.86 115.58 115.88 3itq h ASN 188 Ca 0.20 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3itq h ASN 188 Cb 0.37 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3itq h ASN 188 CO 0.01 1.01 -0.26 -0.33 -1.65 0.00 0.00 177.43 176.20 3itq h GLU 189 N 1.03 0.00 0.00 0.81 5.08 -0.76 -1.94 114.58 118.81 3itq h GLU 189 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3itq h GLU 189 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3itq h GLU 189 CO 0.00 0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.56 3itq n LEU 190 N -3.66 0.33 -0.28 1.33 4.77 -0.71 -1.75 117.00 117.05 3itq n LEU 190 Ca -0.01 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.68 3itq n LEU 190 Cb 0.38 -0.61 0.42 0.00 -2.33 0.00 0.00 43.42 41.28 3itq n LEU 190 CO 0.34 -0.59 0.78 0.35 -1.33 0.00 0.00 177.39 176.95 3itq n THR 191 N -1.91 0.12 -1.54 -5.08 -2.24 -0.73 -4.64 114.28 98.27 3itq n THR 191 Ca 0.01 -0.18 -0.54 0.00 -2.27 0.00 0.00 64.05 61.07 3itq n THR 191 Cb 0.11 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 3itq n THR 191 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3itq n LEU 192 N -0.22 0.78 -3.67 3.22 7.94 -0.72 -4.82 117.00 119.52 3itq n LEU 192 Ca 0.14 1.14 -0.15 0.00 -1.11 0.00 0.00 56.01 56.03 3itq n LEU 192 Cb 0.19 -1.07 -0.08 0.00 0.53 0.00 0.00 43.42 42.99 3itq n LEU 192 CO 0.11 -1.55 0.20 -1.38 -1.11 0.00 0.00 177.39 173.66 3itq s HIS 193 N 0.11 -0.42 0.39 1.96 -3.43 -0.55 -3.89 115.29 109.47 3itq s HIS 193 Ca 0.85 0.78 0.03 0.00 -0.80 0.00 0.00 55.06 55.92 3itq s HIS 193 Cb -1.07 0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 30.26 3itq s HIS 193 CO 0.52 -0.44 0.08 0.20 -2.00 0.00 0.00 174.74 173.11 3itq s GLY 194 N -0.96 2.48 -0.25 -1.38 0.00 0.34 -0.95 107.32 106.61 3itq s GLY 194 Ca -0.10 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 3itq s GLY 194 CO 0.05 -1.89 -0.07 -0.32 0.00 0.00 0.00 173.10 170.88 3itq s GLY 195 N -3.61 1.62 0.65 0.20 0.00 -0.50 -1.16 107.32 104.53 3itq s GLY 195 Ca 0.26 -1.49 -0.16 0.00 0.00 0.00 0.00 44.72 43.32 3itq s GLY 195 CO 0.13 0.52 1.16 0.00 0.00 0.00 0.00 173.10 174.92 3itq s ALA 196 N 1.30 2.40 0.51 3.20 0.00 0.44 -1.64 121.76 127.95 3itq s ALA 196 Ca -0.01 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 3itq s ALA 196 Cb -0.17 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 3itq s ALA 196 CO -0.05 -1.38 1.41 -1.25 0.00 0.00 0.00 175.76 174.48 3itq s PRO 197 N -3.79 3.36 -0.00 0.00 0.04 -1.26 -2.48 135.00 130.87 3itq s PRO 197 Ca 0.72 2.36 -0.30 0.00 0.04 0.00 0.00 61.00 63.81 3itq s PRO 197 Cb -0.26 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3itq s PRO 197 CO 0.39 -1.06 1.12 0.08 0.04 0.00 0.00 177.00 177.58 3itq s VAL 198 N -1.24 4.39 -0.12 -0.36 1.01 -0.96 -1.91 120.40 121.22 3itq s VAL 198 Ca 0.67 1.71 0.11 0.00 0.00 0.00 0.00 61.98 64.48 3itq s VAL 198 Cb -0.43 -4.10 -0.17 0.00 0.00 0.00 0.00 36.38 31.69 3itq s VAL 198 CO 0.53 0.08 0.30 0.35 0.00 0.00 0.00 175.10 176.36 3itq n THR 199 N 4.17 0.00 -3.75 3.92 -2.24 -0.09 -0.54 114.28 115.75 3itq n THR 199 Ca 0.09 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 3itq n THR 199 Cb 0.48 0.40 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 3itq n THR 199 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3itq s LYS 200 N -2.64 0.30 1.76 -0.78 1.02 -0.94 -4.88 119.74 113.57 3itq s LYS 200 Ca -0.02 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.46 3itq s LYS 200 Cb 0.08 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 3itq s LYS 200 CO 0.47 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 3itq n GLY 201 N 3.56 0.09 3.32 -3.33 0.00 -1.26 -1.74 105.19 105.83 3itq n GLY 201 Ca -0.19 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 3itq n GLY 201 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3itq s GLU 202 N 0.00 1.02 -0.09 1.61 -1.05 -1.26 -3.62 118.70 115.30 3itq s GLU 202 Ca 0.00 -0.57 0.02 0.00 -0.15 0.00 0.00 54.97 54.26 3itq s GLU 202 Cb 0.00 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 34.16 3itq s GLU 202 CO 0.00 -0.38 -0.14 0.21 0.95 0.00 0.00 175.26 175.90 3itq s LYS 203 N -3.31 2.01 -0.10 -4.83 2.20 -0.10 -4.40 119.74 111.21 3itq s LYS 203 Ca -0.00 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3itq s LYS 203 Cb 0.01 -1.71 -0.01 0.00 -1.51 0.00 0.00 37.83 34.61 3itq s LYS 203 CO -0.08 -0.04 -0.20 -1.58 -0.36 0.00 0.00 175.35 173.08 3itq s TRP 204 N 0.93 2.62 0.08 4.03 0.52 -1.26 -0.43 118.94 125.43 3itq s TRP 204 Ca -0.09 -0.81 0.05 0.00 0.02 0.00 0.00 56.10 55.27 3itq s TRP 204 Cb -0.15 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 3itq s TRP 204 CO -0.00 -0.28 -0.13 0.96 0.02 0.00 0.00 176.95 177.52 3itq s ILE 205 N 0.18 1.05 -0.03 2.03 -4.36 -0.15 -0.96 121.20 118.96 3itq s ILE 205 Ca -0.12 -1.42 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 3itq s ILE 205 Cb -0.16 -1.16 -0.03 0.00 1.25 0.00 0.00 42.46 42.36 3itq s ILE 205 CO 0.06 -0.34 -0.03 0.00 0.24 0.00 0.00 174.94 174.87 3itq s ALA 206 N -1.67 3.16 0.08 2.27 0.00 -1.26 -1.05 121.76 123.28 3itq s ALA 206 Ca 0.01 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.14 3itq s ALA 206 Cb -0.08 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3itq s ALA 206 CO 0.02 0.61 -0.25 0.95 0.00 0.00 0.00 175.76 177.09 3itq s THR 207 N -0.96 2.07 -0.20 0.00 -4.23 0.15 -4.35 115.64 108.12 3itq s THR 207 Ca 0.16 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3itq s THR 207 Cb -0.11 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 71.95 3itq s THR 207 CO 0.06 0.20 -0.16 -1.58 -0.54 0.00 0.00 174.62 172.60 3itq s GLN 208 N -1.59 2.63 -0.20 3.99 2.00 -0.38 -2.04 119.66 124.06 3itq s GLN 208 Ca 0.11 -0.92 -0.10 0.00 -2.00 0.00 0.00 55.36 52.45 3itq s GLN 208 Cb -0.10 -2.58 -0.05 0.00 0.80 0.00 0.00 33.01 31.09 3itq s GLN 208 CO 0.04 -0.32 0.12 -1.58 -0.50 0.00 0.00 175.29 173.04 3itq s TRP 209 N 1.28 3.35 -0.12 1.67 0.51 -1.26 -1.19 118.94 123.18 3itq s TRP 209 Ca 0.01 0.25 -0.01 0.00 -2.12 0.00 0.00 56.10 54.23 3itq s TRP 209 Cb -0.15 -2.16 -0.02 0.00 -0.81 0.00 0.00 33.47 30.32 3itq s TRP 209 CO -0.10 0.21 -0.08 0.08 -0.51 0.00 0.00 176.95 176.55 3itq s VAL 210 N 0.51 3.58 0.36 4.03 1.01 -0.67 -1.24 120.40 127.98 3itq s VAL 210 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3itq s VAL 210 Cb -0.12 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3itq s VAL 210 CO -0.00 0.54 0.56 -0.13 0.00 0.00 0.00 175.10 176.07 3itq s ARG 211 N -0.07 3.43 0.21 2.72 1.81 0.10 -0.40 118.95 126.75 3itq s ARG 211 Ca 0.00 -0.36 -0.09 0.00 -1.72 0.00 0.00 55.73 53.56 3itq s ARG 211 Cb -0.13 -2.65 0.25 0.00 -0.45 0.00 0.00 34.95 31.96 3itq s ARG 211 CO 0.03 0.10 1.80 -0.09 -0.68 0.00 0.00 175.30 176.46 3itq h ARG 212 N 0.72 0.63 0.00 3.54 2.43 -1.35 -3.44 114.38 116.90 3itq h ARG 212 Ca -0.49 -0.04 -0.36 0.00 -0.81 0.00 0.00 59.98 58.28 3itq h ARG 212 Cb 1.22 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 3itq h ARG 212 CO 0.61 0.42 -0.23 0.41 -1.51 0.00 0.00 179.97 179.67 3itq n GLY 213 N -1.29 3.43 3.71 2.80 0.00 -1.26 -5.08 105.19 107.50 3itq n GLY 213 Ca 0.09 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 3itq n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itq s THR 214 N -1.85 2.12 -0.09 2.61 -4.23 -1.26 -4.54 115.64 108.41 3itq s THR 214 Ca 0.07 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 3itq s THR 214 Cb -0.01 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.30 3itq s THR 214 CO 0.05 -0.04 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.52 3itq s TYR 215 N -2.05 1.45 0.00 3.99 5.04 -0.17 -4.92 117.35 120.69 3itq s TYR 215 Ca 0.74 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 3itq s TYR 215 Cb -0.29 -1.14 0.00 0.00 0.35 0.00 0.00 41.96 40.88 3itq s TYR 215 CO 0.48 -0.39 0.00 1.63 -1.34 0.00 0.00 175.55 175.93