#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itq n GLU 12 N 0.00 0.50 -2.13 1.64 4.07 -1.26 -4.85 120.64 118.60 3itq n GLU 12 Ca 0.00 0.46 -0.33 0.00 -0.06 0.00 0.00 57.16 57.24 3itq n GLU 12 Cb 0.00 -1.64 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 3itq n GLU 12 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3itq s GLN 13 N -2.40 3.45 0.26 5.31 -0.21 -1.26 -5.07 119.66 119.73 3itq s GLN 13 Ca -0.22 1.18 0.09 0.00 0.02 0.00 0.00 55.36 56.43 3itq s GLN 13 Cb 0.04 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 3itq s GLN 13 CO 0.35 -0.70 0.03 0.95 -2.12 0.00 0.00 175.29 173.80 3itq s THR 14 N -2.45 3.66 0.06 -0.19 -4.23 -1.26 -5.01 115.64 106.22 3itq s THR 14 Ca 0.63 -1.79 -0.19 0.00 -1.18 0.00 0.00 61.69 59.16 3itq s THR 14 Cb -0.15 -2.95 -0.12 0.00 1.34 0.00 0.00 72.50 70.61 3itq s THR 14 CO 0.35 -0.35 1.40 0.40 -0.54 0.00 0.00 174.62 175.87 3itq h ILE 15 N 1.85 1.32 -2.65 2.99 2.04 -1.97 -3.43 117.51 117.66 3itq h ILE 15 Ca -0.45 -1.22 -0.53 0.00 1.00 0.00 0.00 64.86 63.66 3itq h ILE 15 Cb 1.24 1.72 0.03 0.00 -0.74 0.00 0.00 36.82 39.08 3itq h ILE 15 CO 0.60 0.37 1.03 0.12 0.00 0.00 0.00 178.15 180.27 3itq s PHE 16 N -4.47 2.46 -0.41 1.37 5.36 -1.26 -4.76 117.98 116.27 3itq s PHE 16 Ca -0.14 0.24 0.04 0.00 -0.96 0.00 0.00 56.93 56.11 3itq s PHE 16 Cb 0.06 -4.06 0.17 0.00 -0.34 0.00 0.00 43.02 38.85 3itq s PHE 16 CO 0.76 -4.22 0.34 0.34 -1.46 0.00 0.00 175.22 170.97 3itq s ASP 17 N 2.21 1.54 -0.18 6.13 2.15 -1.26 -5.05 116.67 122.21 3itq s ASP 17 Ca 0.76 -3.05 -0.06 0.00 0.43 0.00 0.00 52.55 50.63 3itq s ASP 17 Cb -0.44 -0.46 0.09 0.00 -0.30 0.00 0.00 42.92 41.81 3itq s ASP 17 CO 0.34 -0.17 0.37 -1.00 -0.17 0.00 0.00 175.17 174.54 3itq s HIS 18 N 0.07 -0.70 0.21 -5.34 3.76 -1.26 -5.04 115.29 106.99 3itq s HIS 18 Ca 0.32 1.32 0.05 0.00 -0.15 0.00 0.00 55.06 56.61 3itq s HIS 18 Cb 0.03 0.19 -0.03 0.00 1.11 0.00 0.00 32.58 33.87 3itq s HIS 18 CO -0.19 -0.47 0.24 -1.59 -0.85 0.00 0.00 174.74 171.89 3itq s LYS 19 N 2.56 3.14 0.86 1.40 -2.85 -1.26 -5.00 119.74 118.59 3itq s LYS 19 Ca 0.00 -0.86 0.00 0.00 -1.00 0.00 0.00 55.97 54.11 3itq s LYS 19 Cb -0.12 -2.74 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 3itq s LYS 19 CO -0.12 0.45 0.00 0.41 0.10 0.00 0.00 175.35 176.19 3itq n GLY 20 N -0.97 -0.64 0.00 0.59 0.00 -1.26 -4.68 105.19 98.23 3itq n GLY 20 Ca -0.08 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.31 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 0.22 0.32 -4.04 1.61 3.02 -1.26 -4.85 115.26 110.29 3itq n ASN 21 Ca 0.00 -0.60 -0.08 0.00 -0.03 0.00 0.00 54.58 53.88 3itq n ASN 21 Cb 0.00 1.01 -0.10 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 -1.47 0.17 -0.22 2.41 -7.23 -1.26 -1.05 120.40 111.75 3itq s VAL 22 Ca 0.02 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3itq s VAL 22 Cb 0.04 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 36.00 3itq s VAL 22 CO 0.20 -0.78 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.44 3itq s ILE 23 N -2.90 2.35 -0.50 -0.62 1.01 0.41 -4.89 121.20 116.05 3itq s ILE 23 Ca -0.02 -1.11 -0.20 0.00 0.00 0.00 0.00 60.65 59.31 3itq s ILE 23 Cb 0.01 -2.15 0.05 0.00 0.01 0.00 0.00 42.46 40.38 3itq s ILE 23 CO -0.06 0.31 0.67 -0.54 0.00 0.00 0.00 174.94 175.32 3itq s LYS 24 N 1.26 3.17 0.63 2.79 1.02 -1.26 -0.90 119.74 126.45 3itq s LYS 24 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.27 3itq s LYS 24 Cb -0.16 -4.07 0.09 0.00 -0.52 0.00 0.00 37.83 33.17 3itq s LYS 24 CO -0.08 -1.23 0.88 0.95 -0.92 0.00 0.00 175.35 174.94 3itq s THR 25 N 2.83 2.34 0.41 2.17 -4.23 -0.67 -4.99 115.64 113.50 3itq s THR 25 Ca 0.18 -0.70 0.10 0.00 -1.18 0.00 0.00 61.69 60.09 3itq s THR 25 Cb -0.18 -2.64 0.29 0.00 1.34 0.00 0.00 72.50 71.31 3itq s THR 25 CO 0.14 0.00 2.02 -0.08 -0.54 0.00 0.00 174.62 176.16 3itq h GLU 26 N -0.18 0.51 0.00 3.99 4.81 -1.95 -3.28 114.58 118.47 3itq h GLU 26 Ca -0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3itq h GLU 26 Cb 1.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3itq h GLU 26 CO 0.44 0.33 0.00 -0.40 -0.73 0.00 0.00 179.01 178.66 3itq n ASP 27 N -4.47 1.25 -3.61 1.04 5.75 -1.26 -5.07 116.55 110.17 3itq n ASP 27 Ca 0.06 -1.53 -0.12 0.00 -0.01 0.00 0.00 54.79 53.20 3itq n ASP 27 Cb 0.20 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.53 0.66 -0.34 0.11 3.52 -1.24 -5.12 118.95 116.02 3itq s ARG 28 Ca 0.00 0.58 -0.15 0.00 -0.13 0.00 0.00 55.73 56.02 3itq s ARG 28 Cb 0.00 0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 33.70 3itq s ARG 28 CO 0.00 -0.12 0.38 -2.00 -0.81 0.00 0.00 175.30 172.74 3itq s GLU 29 N -0.13 3.60 0.05 5.12 2.12 -1.26 -1.67 118.70 126.53 3itq s GLU 29 Ca -0.00 -0.36 -0.14 0.00 0.36 0.00 0.00 54.97 54.83 3itq s GLU 29 Cb -0.04 -3.79 -0.06 0.00 0.26 0.00 0.00 34.13 30.50 3itq s GLU 29 CO -0.01 -0.52 0.45 0.42 -0.54 0.00 0.00 175.26 175.06 3itq s ILE 30 N 2.06 4.99 -0.14 -3.70 1.09 -0.08 -4.84 121.20 120.57 3itq s ILE 30 Ca 0.13 0.79 -0.13 0.00 -1.10 0.00 0.00 60.65 60.33 3itq s ILE 30 Cb -0.16 -3.72 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 3itq s ILE 30 CO 0.12 0.45 0.29 -1.10 -0.10 0.00 0.00 174.94 174.60 3itq s GLN 31 N -1.42 4.18 -0.37 2.79 -0.21 0.13 -0.44 119.66 124.31 3itq s GLN 31 Ca 0.29 0.11 -0.20 0.00 0.02 0.00 0.00 55.36 55.58 3itq s GLN 31 Cb -0.16 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.46 3itq s GLN 31 CO 0.16 0.31 0.60 0.42 -2.12 0.00 0.00 175.29 174.66 3itq s ILE 32 N 0.25 4.92 -0.22 1.08 1.01 -0.22 -0.61 121.20 127.42 3itq s ILE 32 Ca 0.17 0.44 -0.12 0.00 0.00 0.00 0.00 60.65 61.14 3itq s ILE 32 Cb -0.13 -4.06 -0.18 0.00 0.01 0.00 0.00 42.46 38.09 3itq s ILE 32 CO 0.05 -0.33 0.02 -0.38 0.00 0.00 0.00 174.94 174.30 3itq n ILE 33 N 5.58 1.58 -3.54 2.92 2.08 0.13 -4.84 119.36 123.27 3itq n ILE 33 Ca -0.02 -0.36 -0.17 0.00 0.56 0.00 0.00 62.75 62.77 3itq n ILE 33 Cb 0.49 -1.83 -0.06 0.00 -0.75 0.00 0.00 39.64 37.49 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 -7.02 -0.59 -0.04 4.38 1.04 -1.18 -4.98 113.70 105.32 3itq s SER 34 Ca -0.31 0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3itq s SER 34 Cb 0.09 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.75 3itq s SER 34 CO 0.61 -0.64 -0.04 -0.54 0.98 0.00 0.00 173.24 173.61 3itq s LYS 35 N -1.56 0.74 -0.23 4.02 1.02 -1.26 -0.88 119.74 121.60 3itq s LYS 35 Ca -0.10 -0.09 -0.10 0.00 0.02 0.00 0.00 55.97 55.70 3itq s LYS 35 Cb -0.01 -0.76 -0.05 0.00 -0.52 0.00 0.00 37.83 36.49 3itq s LYS 35 CO 0.06 -0.07 0.14 0.12 -0.92 0.00 0.00 175.35 174.68 3itq s PHE 36 N 0.85 3.31 0.10 3.18 5.36 0.61 -4.98 117.98 126.41 3itq s PHE 36 Ca -0.11 0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 56.05 3itq s PHE 36 Cb -0.14 -2.24 -0.22 0.00 -0.34 0.00 0.00 43.02 40.09 3itq s PHE 36 CO 0.00 0.08 1.22 0.93 -1.46 0.00 0.00 175.22 175.99 3itq h GLU 37 N 7.39 0.19 -1.83 10.12 4.39 -1.96 -1.35 114.58 131.52 3itq h GLU 37 Ca -0.38 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.01 3itq h GLU 37 Cb 1.17 0.11 -0.24 0.00 -0.10 0.00 0.00 28.75 29.68 3itq h GLU 37 CO 0.67 1.12 -0.30 -2.00 -1.16 0.00 0.00 179.01 177.33 3itq s GLU 38 N -2.77 0.46 0.65 2.33 2.12 -1.26 -3.63 118.70 116.60 3itq s GLU 38 Ca -0.02 1.03 -0.17 0.00 0.36 0.00 0.00 54.97 56.17 3itq s GLU 38 Cb 0.08 0.36 -0.00 0.00 0.26 0.00 0.00 34.13 34.83 3itq s GLU 38 CO 0.86 -0.42 1.19 -1.25 -0.54 0.00 0.00 175.26 175.09 3itq s PRO 39 N 2.74 2.66 -0.13 4.30 0.04 -1.26 -5.06 135.00 138.29 3itq s PRO 39 Ca 0.07 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 3itq s PRO 39 Cb -0.14 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3itq s PRO 39 CO -0.17 -1.43 1.23 -1.17 0.04 0.00 0.00 177.00 175.50 3itq s LEU 40 N -4.59 4.21 -0.09 -3.56 2.96 -1.24 -4.82 118.68 111.56 3itq s LEU 40 Ca 0.74 1.72 0.01 0.00 -0.22 0.00 0.00 54.13 56.38 3itq s LEU 40 Cb -0.28 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.89 3itq s LEU 40 CO 0.39 -0.69 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.02 3itq s ILE 41 N 2.99 0.95 -0.09 6.68 1.01 -0.51 -2.36 121.20 129.88 3itq s ILE 41 Ca 0.54 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.93 3itq s ILE 41 Cb -0.22 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.31 3itq s ILE 41 CO 0.17 0.34 -0.17 -0.69 0.00 0.00 0.00 174.94 174.59 3itq s VAL 42 N 1.30 1.52 -0.14 2.92 1.01 0.14 -0.28 120.40 126.87 3itq s VAL 42 Ca -0.03 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 3itq s VAL 42 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3itq s VAL 42 CO -0.03 0.44 0.40 -0.69 0.00 0.00 0.00 175.10 175.22 3itq s VAL 43 N 0.63 5.23 -0.05 2.92 1.01 -0.06 -0.80 120.40 129.28 3itq s VAL 43 Ca -0.14 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.67 3itq s VAL 43 Cb -0.16 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3itq s VAL 43 CO 0.04 0.34 -0.22 -0.76 0.00 0.00 0.00 175.10 174.50 3itq s LEU 44 N 0.66 2.02 0.24 3.92 1.43 0.10 -0.69 118.68 126.35 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 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 3itq s LEU 44 CO 0.08 0.22 0.15 -0.83 0.23 0.00 0.00 176.35 176.19 3itq s GLY 45 N -0.13 1.51 -1.27 -3.19 0.00 0.22 -0.97 107.32 103.49 3itq s GLY 45 Ca -0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.24 3itq s GLY 45 CO 0.03 -1.46 0.46 -2.01 0.00 0.00 0.00 173.10 170.12 3itq n ASN 46 N -0.96 -5.24 0.06 1.64 5.15 -1.22 -0.69 115.26 113.99 3itq n ASN 46 Ca -0.08 -0.22 -0.20 0.00 -0.60 0.00 0.00 54.58 53.48 3itq n ASN 46 Cb 0.57 -4.10 -0.14 0.00 -0.53 0.00 0.00 39.78 35.59 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 -1.06 1.46 -4.37 3.44 2.07 -1.32 -3.42 116.25 113.06 3itq h VAL 47 Ca -0.43 -2.47 -0.57 0.00 0.82 0.00 0.00 66.70 64.05 3itq h VAL 47 Cb 1.30 3.05 -0.29 0.00 -1.52 0.00 0.00 31.29 33.82 3itq h VAL 47 CO 0.46 0.71 -0.84 -0.76 0.02 0.00 0.00 177.57 177.16 3itq s LEU 48 N -7.93 2.04 0.91 2.57 1.43 -1.14 -5.05 118.68 111.50 3itq s LEU 48 Ca -0.13 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3itq s LEU 48 Cb 0.02 -0.97 0.13 0.00 0.03 0.00 0.00 46.19 45.40 3itq s LEU 48 CO 0.85 0.23 1.09 -0.94 0.23 0.00 0.00 176.35 177.81 3itq s SER 49 N -0.44 3.34 0.24 2.29 1.04 -1.26 -4.53 113.70 114.37 3itq s SER 49 Ca 0.07 1.57 -0.07 0.00 0.48 0.00 0.00 55.95 58.00 3itq s SER 49 Cb -0.07 -2.23 0.22 0.00 0.10 0.00 0.00 66.02 64.03 3itq s SER 49 CO -0.01 -2.73 1.87 0.44 0.98 0.00 0.00 173.24 173.79 3itq h ASP 50 N -1.61 1.14 -0.68 7.02 3.32 -1.99 -1.43 116.42 122.19 3itq h ASP 50 Ca -0.49 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 3itq h ASP 50 Cb 1.28 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 3itq h ASP 50 CO 0.53 0.89 0.17 -0.33 -1.72 0.00 0.00 179.24 178.78 3itq h GLU 51 N 1.29 1.08 -0.54 3.56 5.08 -1.99 -1.91 114.58 121.15 3itq h GLU 51 Ca 0.33 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3itq h GLU 51 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3itq h GLU 51 CO -0.06 0.96 0.15 0.93 -1.00 0.00 0.00 179.01 179.99 3itq h GLU 52 N 1.01 0.85 0.11 2.33 5.08 -1.77 0.03 114.58 122.21 3itq h GLU 52 Ca 0.21 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3itq h GLU 52 Cb 0.36 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3itq h GLU 52 CO 0.00 0.79 -0.17 0.00 -1.00 0.00 0.00 179.01 178.63 3itq h ASP 54 N -0.34 0.94 -0.35 0.00 3.32 -1.07 -2.50 116.42 116.41 3itq h ASP 54 Ca 0.02 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3itq h ASP 54 Cb 0.36 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3itq h ASP 54 CO -0.09 0.73 0.03 -0.33 -1.72 0.00 0.00 179.24 177.86 3itq h GLU 55 N 1.07 0.61 -0.87 3.56 5.08 -0.66 -1.46 114.58 121.90 3itq h GLU 55 Ca 0.28 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3itq h GLU 55 Cb -0.02 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3itq h GLU 55 CO -0.05 0.70 0.57 -0.07 -1.00 0.00 0.00 179.01 179.16 3itq h LEU 56 N 0.43 1.01 -0.27 1.33 3.38 -1.04 0.48 115.31 120.64 3itq h LEU 56 Ca 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3itq h LEU 56 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3itq h LEU 56 CO 0.01 0.74 0.13 0.40 0.09 0.00 0.00 178.44 179.82 3itq h ILE 57 N 1.19 1.14 -0.61 1.22 2.04 -1.24 -2.06 117.51 119.19 3itq h ILE 57 Ca 0.32 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3itq h ILE 57 Cb -0.12 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3itq h ILE 57 CO -0.07 0.14 0.38 -0.33 0.00 0.00 0.00 178.15 178.28 3itq h GLU 58 N 0.31 0.75 -0.70 2.37 5.08 -0.88 -2.32 114.58 119.18 3itq h GLU 58 Ca 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3itq h GLU 58 Cb 0.10 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3itq h GLU 58 CO -0.01 0.49 0.39 -0.07 -1.00 0.00 0.00 179.01 178.81 3itq h LEU 59 N 0.77 0.86 -0.38 1.33 3.38 -0.80 -1.21 115.31 119.27 3itq h LEU 59 Ca 0.24 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 3itq h LEU 59 Cb -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3itq h LEU 59 CO -0.08 0.69 -0.57 0.77 0.09 0.00 0.00 178.44 179.34 3itq h SER 60 N 0.97 0.83 -0.68 -0.43 4.64 -1.02 -0.42 113.55 117.45 3itq h SER 60 Ca 0.25 -0.45 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3itq h SER 60 Cb 0.02 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 3itq h SER 60 CO -0.04 1.22 0.41 0.11 -0.87 0.00 0.00 176.83 177.65 3itq h LYS 61 N 0.56 0.92 -0.49 4.77 1.57 -1.12 -1.27 116.57 121.52 3itq h LYS 61 Ca 0.01 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3itq h LYS 61 Cb 1.15 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3itq h LYS 61 CO 0.12 0.66 0.19 0.77 -0.57 0.00 0.00 179.45 180.62 3itq h SER 62 N 0.92 0.68 -0.26 0.86 0.02 -1.07 -1.88 113.55 112.82 3itq h SER 62 Ca 0.24 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3itq h SER 62 Cb -0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3itq h SER 62 CO -0.05 0.67 0.14 0.50 -1.14 0.00 0.00 176.83 176.95 3itq h LYS 63 N 0.65 0.36 0.00 3.45 1.63 -0.90 -2.92 116.57 118.84 3itq h LYS 63 Ca 0.16 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3itq h LYS 63 Cb 0.20 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 3itq h LYS 63 CO -0.01 0.32 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.04 3itq h LEU 64 N 0.31 0.00 -7.94 5.20 3.38 -1.19 -3.52 115.31 111.55 3itq h LEU 64 Ca 0.09 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.35 3itq h LEU 64 Cb 0.06 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.62 3itq h LEU 64 CO -0.01 0.20 0.67 0.00 0.09 0.00 0.00 178.44 179.38 3itq s ALA 65 N -3.75 3.54 0.00 1.53 0.00 -0.71 -5.10 121.76 117.27 3itq s ALA 65 Ca -0.00 -2.90 0.00 0.00 0.00 0.00 0.00 51.96 49.06 3itq s ALA 65 Cb 0.11 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3itq s ALA 65 CO 0.62 -2.82 0.00 -0.40 0.00 0.00 0.00 175.76 173.16 3itq n ASP 74 N 5.95 4.86 -1.00 0.00 3.85 -1.26 -5.08 116.55 123.88 3itq n ASP 74 Ca 0.22 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.35 3itq n ASP 74 Cb 0.49 0.58 0.13 0.00 -1.35 0.00 0.00 41.12 40.96 3itq n ASP 74 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3itq n VAL 75 N -1.87 1.28 -2.92 2.12 0.31 -1.26 -5.09 118.33 110.91 3itq n VAL 75 Ca 0.00 -2.32 -0.33 0.00 -0.01 0.00 0.00 64.34 61.69 3itq n VAL 75 Cb 0.40 0.28 -0.07 0.00 -0.91 0.00 0.00 33.84 33.54 3itq n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3itq s ASN 76 N -2.73 6.87 -0.50 4.52 6.03 -1.26 -4.98 114.94 122.90 3itq s ASN 76 Ca 0.36 1.54 0.02 0.00 -1.03 0.00 0.00 52.86 53.76 3itq s ASN 76 Cb 0.38 -2.48 0.60 0.00 -3.03 0.00 0.00 41.25 36.72 3itq s ASN 76 CO -0.11 -0.32 1.94 0.47 -2.03 0.00 0.00 177.10 177.05 3itq n ASP 77 N -0.59 4.74 -0.31 3.54 8.00 -1.26 -4.58 116.55 126.10 3itq n ASP 77 Ca 0.06 -3.62 0.03 0.00 0.71 0.00 0.00 54.79 51.97 3itq n ASP 77 Cb 0.54 -0.87 0.18 0.00 -0.02 0.00 0.00 41.12 40.94 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 0.98 0.92 0.00 0.53 1.08 -1.94 -2.02 117.51 117.06 3itq h ILE 78 Ca 0.62 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.80 3itq h ILE 78 Cb 2.32 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 36.08 3itq h ILE 78 CO 1.21 0.15 -0.02 0.03 -0.69 0.00 0.00 178.15 178.83 3itq h ARG 79 N 0.84 0.00 -0.04 2.37 3.08 -1.88 0.51 114.38 119.27 3itq h ARG 79 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3itq h ARG 79 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3itq h ARG 79 CO -0.24 0.02 0.00 0.25 -1.07 0.00 0.00 179.97 178.93 3itq n THR 80 N -4.30 0.24 0.00 2.04 -2.24 -0.95 -1.33 114.28 107.74 3itq n THR 80 Ca -0.03 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3itq n THR 80 Cb 0.10 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 0.17 0.00 0.04 3.42 3.41 -0.80 -4.95 113.62 114.91 3itq n SER 81 Ca 0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.61 3itq n SER 81 Cb 0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 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 -4.13 4.04 4.64 -1.73 -3.51 113.55 112.87 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 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 3itq n GLY 83 N 1.41 -2.07 3.67 -0.77 0.00 0.18 -4.80 105.19 102.80 3itq n GLY 83 Ca -0.08 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.34 3.63 -0.37 4.61 0.00 0.47 -4.67 121.76 122.08 3itq s ALA 84 Ca 0.00 0.94 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 3itq s ALA 84 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.42 3itq s ALA 84 CO 0.00 -1.29 0.83 0.12 0.00 0.00 0.00 175.76 175.41 3itq s PHE 85 N 3.65 3.09 0.27 0.00 5.36 -1.26 -0.94 117.98 128.15 3itq s PHE 85 Ca 0.71 0.59 -0.29 0.00 -0.96 0.00 0.00 56.93 56.98 3itq s PHE 85 Cb -0.33 -3.50 -0.09 0.00 -0.34 0.00 0.00 43.02 38.75 3itq s PHE 85 CO 0.29 -0.78 1.13 -0.51 -1.46 0.00 0.00 175.22 173.89 3itq s LEU 86 N 3.24 4.52 0.49 6.12 1.43 -0.99 -4.99 118.68 128.50 3itq s LEU 86 Ca 0.33 2.30 -0.22 0.00 -1.03 0.00 0.00 54.13 55.51 3itq s LEU 86 Cb -0.13 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 3itq s LEU 86 CO 0.18 -0.22 1.17 -1.81 0.23 0.00 0.00 176.35 175.90 3itq s ASP 87 N -0.66 5.95 -0.12 2.29 1.01 -1.26 -4.80 116.67 119.08 3itq s ASP 87 Ca 0.46 2.29 -0.29 0.00 0.71 0.00 0.00 52.55 55.72 3itq s ASP 87 Cb -0.33 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 40.97 3itq s ASP 87 CO 0.41 -1.07 1.48 -1.81 0.21 0.00 0.00 175.17 174.39 3itq s ASP 88 N -1.47 6.76 0.08 0.27 1.01 -1.26 -4.86 116.67 117.20 3itq s ASP 88 Ca 0.67 1.93 0.02 0.00 0.71 0.00 0.00 52.55 55.88 3itq s ASP 88 Cb -0.28 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.11 3itq s ASP 88 CO 0.33 -0.89 0.07 -0.46 0.21 0.00 0.00 175.17 174.42 3itq n ASN 89 N 7.05 -0.16 -0.29 0.27 0.23 -1.26 -5.01 115.26 116.09 3itq n ASN 89 Ca 0.16 -1.53 0.00 0.00 -0.53 0.00 0.00 54.58 52.69 3itq n ASN 89 Cb 0.44 0.40 0.13 0.00 -2.08 0.00 0.00 39.78 38.67 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 0.85 -0.15 -3.83 4.22 -1.99 -1.07 114.58 112.61 3itq h GLU 90 Ca -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.30 3itq h GLU 90 Cb 0.29 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3itq h GLU 90 CO 0.08 0.56 -0.04 1.25 -2.18 0.00 0.00 179.01 178.69 3itq h LEU 91 N 0.87 0.29 -0.60 1.64 5.85 -1.96 -2.02 115.31 119.38 3itq h LEU 91 Ca 0.36 -0.37 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3itq h LEU 91 Cb 0.20 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3itq h LEU 91 CO -0.18 0.59 -0.25 0.71 -0.34 0.00 0.00 178.44 178.97 3itq h THR 92 N -0.02 1.27 -0.63 1.05 1.35 -1.85 -1.43 112.91 112.65 3itq h THR 92 Ca 0.04 -1.39 -0.06 0.00 -0.55 0.00 0.00 66.41 64.45 3itq h THR 92 Cb 0.47 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.08 3itq h THR 92 CO 0.01 0.47 0.18 0.00 -0.25 0.00 0.00 175.52 175.93 3itq h ALA 93 N 0.98 0.83 -0.27 6.62 0.00 -1.16 0.13 119.26 126.38 3itq h ALA 93 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3itq h ALA 93 Cb 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3itq h ALA 93 CO 0.07 0.52 0.18 -0.22 0.00 0.00 0.00 179.25 179.79 3itq h LYS 94 N 0.92 0.36 -0.36 0.00 3.64 -1.11 -1.00 116.57 119.01 3itq h LYS 94 Ca 0.20 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3itq h LYS 94 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3itq h LYS 94 CO -0.00 0.25 -0.01 0.82 -2.27 0.00 0.00 179.45 178.23 3itq h ILE 95 N 0.36 1.26 -0.51 2.00 2.04 -1.10 -1.77 117.51 119.79 3itq h ILE 95 Ca 0.10 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3itq h ILE 95 Cb -0.03 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3itq h ILE 95 CO -0.02 0.33 0.17 -0.33 0.00 0.00 0.00 178.15 178.30 3itq h GLU 96 N 0.46 0.76 -0.34 2.37 5.08 -0.61 0.49 114.58 122.79 3itq h GLU 96 Ca 0.10 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3itq h GLU 96 Cb 0.48 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3itq h GLU 96 CO 0.02 0.65 0.19 -0.22 -1.00 0.00 0.00 179.01 178.66 3itq h LYS 97 N 0.74 0.46 -0.30 2.33 3.64 -1.02 -0.71 116.57 121.72 3itq h LYS 97 Ca 0.17 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3itq h LYS 97 Cb 0.21 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3itq h LYS 97 CO -0.01 0.37 0.16 -0.09 -2.27 0.00 0.00 179.45 177.61 3itq h ARG 98 N 0.43 0.32 -0.65 1.90 2.43 -0.80 -2.53 114.38 115.48 3itq h ARG 98 Ca 0.12 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3itq h ARG 98 Cb 0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3itq h ARG 98 CO -0.02 0.21 0.43 0.82 -1.51 0.00 0.00 179.97 179.90 3itq h ILE 99 N 0.33 1.13 -0.26 1.20 2.04 -0.80 -2.21 117.51 118.95 3itq h ILE 99 Ca 0.12 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3itq h ILE 99 Cb 0.02 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3itq h ILE 99 CO -0.07 0.15 -0.12 -1.28 0.00 0.00 0.00 178.15 176.83 3itq h SER 100 N 0.83 0.42 -0.44 1.72 0.87 -0.71 -2.24 113.55 114.01 3itq h SER 100 Ca 0.25 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3itq h SER 100 Cb -0.03 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3itq h SER 100 CO -0.06 0.58 0.05 0.28 -0.53 0.00 0.00 176.83 177.14 3itq h SER 101 N 0.41 0.72 0.00 6.23 0.02 -1.13 -0.48 113.55 119.32 3itq h SER 101 Ca 0.08 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3itq h SER 101 Cb 0.46 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3itq h SER 101 CO 0.03 0.82 0.00 -0.38 -1.14 0.00 0.00 176.83 176.15 3itq n ILE 102 N -4.45 0.00 -1.56 3.27 5.41 -0.84 -4.87 119.36 116.32 3itq n ILE 102 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 3itq n ILE 102 Cb 0.26 -0.20 -0.01 0.00 -0.71 0.00 0.00 39.64 38.99 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 0.09 -0.10 -3.84 4.38 4.13 -0.20 -4.77 115.26 114.96 3itq n ASN 104 Ca 0.00 -0.20 -0.16 0.00 1.68 0.00 0.00 54.58 55.90 3itq n ASN 104 Cb 0.02 0.03 -0.16 0.00 -1.54 0.00 0.00 39.78 38.13 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 0.16 0.60 2.41 1.01 -1.17 -4.96 120.40 118.45 3itq s VAL 105 Ca 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 3itq s VAL 105 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3itq s VAL 105 CO -0.00 0.11 1.13 -2.65 0.00 0.00 0.00 175.10 173.69 3itq n PRO 106 N 3.82 1.12 0.31 2.72 -0.02 -1.26 -4.50 135.00 137.19 3itq n PRO 106 Ca -0.23 0.43 0.19 0.00 -2.02 0.00 0.00 63.50 61.87 3itq n PRO 106 Cb 0.53 -2.34 1.04 0.00 -0.02 0.00 0.00 33.50 32.71 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 0.72 1.29 0.00 3.55 0.00 -1.92 -1.06 119.26 121.85 3itq h ALA 107 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3itq h ALA 107 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3itq h ALA 107 CO 0.53 -0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.35 3itq h SER 108 N 0.00 0.00 0.24 0.00 4.64 -1.93 -0.20 113.55 116.31 3itq h SER 108 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3itq h SER 108 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3itq h SER 108 CO -0.00 0.00 -0.37 1.41 -0.87 0.00 0.00 176.83 177.00 3itq n HIS 109 N -2.95 0.00 -2.82 4.77 8.25 -0.40 -0.99 115.22 121.08 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 0.11 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 -2.62 1.99 0.00 -1.41 0.00 -0.09 -0.69 107.32 104.50 3itq s GLY 110 Ca 0.20 -0.14 0.28 0.00 0.00 0.00 0.00 44.72 45.07 3itq s GLY 110 CO 0.58 0.06 1.86 1.18 0.00 0.00 0.00 173.10 176.78 3itq n GLU 111 N -1.26 0.00 0.00 2.90 1.02 -0.22 -4.76 120.64 118.32 3itq n GLU 111 Ca 0.03 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3itq n GLU 111 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 1.50 0.86 3.72 0.62 0.00 -1.26 -4.94 105.19 105.68 3itq n GLY 112 Ca 0.07 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.14 4.37 -0.08 0.99 1.43 -1.26 -4.69 118.68 118.30 3itq s LEU 113 Ca 0.00 2.59 0.04 0.00 -1.03 0.00 0.00 54.13 55.74 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 -0.82 -0.23 -1.00 0.23 0.00 0.00 176.35 174.53 3itq s HIS 114 N 1.27 2.54 -0.19 0.29 3.76 -0.89 -2.35 115.29 119.72 3itq s HIS 114 Ca 0.70 -0.81 -0.05 0.00 -0.15 0.00 0.00 55.06 54.75 3itq s HIS 114 Cb -0.43 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 3itq s HIS 114 CO 0.31 -0.27 0.00 0.42 -0.85 0.00 0.00 174.74 174.35 3itq s ILE 115 N 0.06 4.10 0.08 0.60 -1.09 -0.12 -0.63 121.20 124.19 3itq s ILE 115 Ca -0.09 -0.27 0.09 0.00 -2.23 0.00 0.00 60.65 58.15 3itq s ILE 115 Cb -0.15 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 3itq s ILE 115 CO 0.06 0.45 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.21 3itq s LEU 116 N 0.72 2.23 0.01 2.97 1.02 -0.19 -0.40 118.68 125.04 3itq s LEU 116 Ca 0.00 -0.64 0.01 0.00 0.02 0.00 0.00 54.13 53.52 3itq s LEU 116 Cb -0.14 -1.17 -0.01 0.00 0.02 0.00 0.00 46.19 44.89 3itq s LEU 116 CO 0.02 0.20 -0.03 0.54 0.02 0.00 0.00 176.35 177.10 3itq s ASN 117 N -1.55 0.29 -0.10 2.29 4.22 -0.44 -0.95 114.94 118.69 3itq s ASN 117 Ca 0.11 -0.23 0.02 0.00 -2.14 0.00 0.00 52.86 50.62 3itq s ASN 117 Cb -0.10 0.02 0.01 0.00 1.28 0.00 0.00 41.25 42.47 3itq s ASN 117 CO 0.03 -0.10 -0.14 -0.31 -2.04 0.00 0.00 177.10 174.54 3itq s TYR 118 N -0.62 1.86 0.74 1.54 2.02 0.41 -4.39 117.35 118.91 3itq s TYR 118 Ca -0.06 -0.85 -0.04 0.00 -0.37 0.00 0.00 57.07 55.76 3itq s TYR 118 Cb -0.05 -1.36 0.12 0.00 -0.40 0.00 0.00 41.96 40.28 3itq s TYR 118 CO -0.00 -0.45 1.02 -1.21 -1.57 0.00 0.00 175.55 173.34 3itq s GLU 119 N 0.97 1.68 0.10 -0.62 0.41 -1.26 -0.65 118.70 119.33 3itq s GLU 119 Ca -0.07 -0.87 -0.36 0.00 -0.41 0.00 0.00 54.97 53.26 3itq s GLU 119 Cb -0.15 -2.26 -0.17 0.00 -1.78 0.00 0.00 34.13 29.78 3itq s GLU 119 CO -0.01 -1.49 1.32 0.28 -0.49 0.00 0.00 175.26 174.87 3itq n VAL 120 N -2.93 0.12 -1.16 2.63 0.31 -1.24 -1.32 118.33 114.73 3itq n VAL 120 Ca 0.13 -0.03 -0.06 0.00 -0.01 0.00 0.00 64.34 64.38 3itq n VAL 120 Cb 0.60 -0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 32.68 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 2.46 -3.93 -4.72 4.52 8.00 0.15 -4.96 116.55 118.08 3itq n ASP 121 Ca 0.18 0.14 -0.32 0.00 0.71 0.00 0.00 54.79 55.50 3itq n ASP 121 Cb 0.20 -1.92 -0.08 0.00 -0.02 0.00 0.00 41.12 39.30 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 -2.17 2.85 0.29 -1.24 -0.21 -0.43 -4.94 119.66 113.80 3itq s GLN 122 Ca 0.00 -0.60 -0.07 0.00 0.02 0.00 0.00 55.36 54.71 3itq s GLN 122 Cb 0.00 -2.71 0.03 0.00 1.00 0.00 0.00 33.01 31.32 3itq s GLN 122 CO 0.00 0.62 0.50 0.00 -2.12 0.00 0.00 175.29 174.28 3itq n GLN 123 N 1.19 0.71 -4.03 2.91 10.64 -1.26 -2.49 117.38 125.06 3itq n GLN 123 Ca -0.13 -1.93 -0.16 0.00 -1.83 0.00 0.00 57.00 52.95 3itq n GLN 123 Cb 0.53 2.11 -0.15 0.00 -0.86 0.00 0.00 30.24 31.86 3itq n GLN 123 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 3itq s TYR 124 N -3.60 0.34 0.51 2.61 -0.85 -0.63 -4.95 117.35 110.77 3itq s TYR 124 Ca 0.17 -0.05 -0.22 0.00 -0.52 0.00 0.00 57.07 56.45 3itq s TYR 124 Cb -0.02 -0.29 -0.06 0.00 0.38 0.00 0.00 41.96 41.97 3itq s TYR 124 CO 0.12 -0.05 1.28 0.15 -1.52 0.00 0.00 175.55 175.53 3itq s LYS 125 N 0.31 3.38 0.19 -3.49 -0.14 -1.26 -1.61 119.74 117.12 3itq s LYS 125 Ca -0.03 2.05 -0.33 0.00 -1.36 0.00 0.00 55.97 56.30 3itq s LYS 125 Cb -0.06 -2.31 -0.13 0.00 -1.68 0.00 0.00 37.83 33.65 3itq s LYS 125 CO -0.01 -0.94 1.56 0.00 -0.76 0.00 0.00 175.35 175.20 3itq n ALA 126 N -0.82 1.53 -3.19 5.17 0.00 -1.26 -4.63 120.51 117.31 3itq n ALA 126 Ca 0.09 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 3itq n ALA 126 Cb 0.46 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 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 0.66 0.44 0.07 0.00 -3.43 0.01 -4.81 115.29 108.22 3itq s HIS 127 Ca 0.75 -0.80 -0.11 0.00 -0.80 0.00 0.00 55.06 54.11 3itq s HIS 127 Cb -0.64 0.20 -0.06 0.00 -1.43 0.00 0.00 32.58 30.65 3itq s HIS 127 CO 0.41 -1.05 0.41 0.71 -2.00 0.00 0.00 174.74 173.21 3itq s TYR 128 N -3.79 3.60 0.08 0.38 2.02 -1.26 -1.19 117.35 117.20 3itq s TYR 128 Ca 0.23 0.82 0.15 0.00 -0.37 0.00 0.00 57.07 57.90 3itq s TYR 128 Cb -0.01 -2.18 0.33 0.00 -0.40 0.00 0.00 41.96 39.70 3itq s TYR 128 CO 0.11 0.53 1.57 -0.44 -1.57 0.00 0.00 175.55 175.74 3itq h ASP 129 N 3.82 0.00 -4.23 2.29 5.19 -1.95 -3.46 116.42 118.09 3itq h ASP 129 Ca -0.49 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.43 3itq h ASP 129 Cb 1.20 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.74 3itq h ASP 129 CO 0.66 0.54 0.38 -0.72 -3.12 0.00 0.00 179.24 176.98 3itq s TYR 130 N -3.28 3.38 0.46 4.55 -0.85 -1.26 -4.87 117.35 115.48 3itq s TYR 130 Ca 0.01 1.45 -0.19 0.00 -0.52 0.00 0.00 57.07 57.82 3itq s TYR 130 Cb 0.10 -2.83 -0.10 0.00 0.38 0.00 0.00 41.96 39.52 3itq s TYR 130 CO 0.73 -0.60 0.95 -0.06 -1.52 0.00 0.00 175.55 175.05 3itq s PHE 131 N -2.70 3.38 0.63 -3.49 0.08 -1.26 -5.03 117.98 109.59 3itq s PHE 131 Ca 0.59 1.52 -0.16 0.00 0.12 0.00 0.00 56.93 59.00 3itq s PHE 131 Cb -0.11 -2.80 -0.01 0.00 -0.57 0.00 0.00 43.02 39.52 3itq s PHE 131 CO 0.37 -0.20 1.10 0.00 -0.10 0.00 0.00 175.22 176.39 3itq s ALA 132 N -2.36 2.55 0.36 5.36 0.00 -1.26 -4.83 121.76 121.59 3itq s ALA 132 Ca 0.60 0.54 0.16 0.00 0.00 0.00 0.00 51.96 53.26 3itq s ALA 132 Cb -0.09 -3.30 1.07 0.00 0.00 0.00 0.00 23.12 20.79 3itq s ALA 132 CO 0.21 -1.12 1.70 1.49 0.00 0.00 0.00 175.76 178.05 3itq h GLU 133 N 0.25 0.38 0.00 0.00 4.81 -1.97 -0.99 114.58 117.06 3itq h GLU 133 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3itq h GLU 133 Cb 1.24 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3itq h GLU 133 CO 0.55 0.25 0.00 1.12 -0.73 0.00 0.00 179.01 180.21 3itq h HIS 134 N 0.40 0.00 -3.87 0.92 2.07 -2.01 -3.45 115.15 109.20 3itq h HIS 134 Ca 0.68 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 57.73 3itq h HIS 134 Cb 1.59 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.55 3itq h HIS 134 CO -0.01 0.00 0.35 0.45 -3.07 0.00 0.00 177.93 175.66 3itq s SER 135 N -4.55 7.35 0.59 3.10 0.15 -0.38 -4.93 113.70 115.04 3itq s SER 135 Ca 0.04 1.87 0.29 0.00 0.70 0.00 0.00 55.95 58.85 3itq s SER 135 Cb 0.09 -2.58 1.75 0.00 -1.71 0.00 0.00 66.02 63.57 3itq s SER 135 CO 0.43 -0.06 2.18 0.03 1.20 0.00 0.00 173.24 177.02 3itq h ARG 136 N 3.27 0.00 0.00 5.44 3.08 -1.89 -2.03 114.38 122.26 3itq h ARG 136 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3itq h ARG 136 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3itq h ARG 136 CO 0.65 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.98 3itq n SER 137 N -3.81 0.69 0.30 7.04 7.64 -1.26 -3.41 113.62 120.80 3itq n SER 137 Ca -0.01 0.58 0.19 0.00 1.01 0.00 0.00 58.87 60.64 3itq n SER 137 Cb 0.20 -0.76 0.84 0.00 -1.01 0.00 0.00 64.21 63.48 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 2.54 1.00 0.00 -0.43 0.00 -1.59 -2.51 119.26 118.27 3itq h ALA 138 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3itq h ALA 138 Cb 0.66 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3itq h ALA 138 CO 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 179.00 3itq h ALA 139 N 2.00 1.29 -2.15 0.00 0.00 -1.75 -3.18 119.26 115.46 3itq h ALA 139 Ca -0.00 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 54.10 3itq h ALA 139 Cb 0.36 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.71 3itq h ALA 139 CO 0.00 0.32 -0.94 -1.71 0.00 0.00 0.00 179.25 176.92 3itq n ASN 140 N -3.82 1.12 -4.84 0.00 5.15 -0.96 -5.03 115.26 106.89 3itq n ASN 140 Ca -0.02 -2.86 -0.30 0.00 -0.60 0.00 0.00 54.58 50.80 3itq n ASN 140 Cb 0.35 -0.64 0.05 0.00 -0.53 0.00 0.00 39.78 39.01 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 -1.36 5.31 0.47 1.20 3.84 -1.16 -4.55 114.94 118.68 3itq s ASN 141 Ca 0.35 1.36 -0.24 0.00 0.21 0.00 0.00 52.86 54.55 3itq s ASN 141 Cb 0.14 -2.21 -0.07 0.00 -0.55 0.00 0.00 41.25 38.55 3itq s ASN 141 CO -0.10 -1.45 1.31 -0.13 -2.79 0.00 0.00 177.10 173.94 3itq s ARG 142 N -5.18 3.62 0.00 0.43 0.52 -1.26 -1.15 118.95 115.92 3itq s ARG 142 Ca 0.58 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.94 3itq s ARG 142 Cb -0.13 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.83 3itq s ARG 142 CO 0.54 -0.78 0.00 0.44 0.02 0.00 0.00 175.30 175.52 3itq n ILE 143 N -0.41 0.00 -3.47 1.52 -5.35 0.34 -4.76 119.36 107.23 3itq n ILE 143 Ca 0.07 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.43 3itq n ILE 143 Cb 0.45 0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 38.46 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 -2.14 -0.51 -0.01 7.28 1.04 -1.22 -1.20 113.70 116.95 3itq s SER 144 Ca 0.00 0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.59 3itq s SER 144 Cb 0.00 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 3itq s SER 144 CO 0.00 -0.78 -0.10 -0.89 0.98 0.00 0.00 173.24 172.45 3itq s THR 145 N -3.03 0.81 -0.17 2.02 2.01 -0.23 -1.66 115.64 115.40 3itq s THR 145 Ca 0.00 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.57 3itq s THR 145 Cb -0.01 -0.68 0.01 0.00 0.01 0.00 0.00 72.50 71.83 3itq s THR 145 CO -0.08 0.23 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.70 3itq s LEU 146 N -0.22 2.37 0.00 4.42 2.96 -0.39 -1.30 118.68 126.52 3itq s LEU 146 Ca 0.04 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 3itq s LEU 146 Cb -0.04 -1.55 0.05 0.00 0.50 0.00 0.00 46.19 45.15 3itq s LEU 146 CO -0.00 0.04 0.39 0.52 -1.32 0.00 0.00 176.35 175.98 3itq n VAL 147 N 4.37 0.00 -3.68 1.68 0.31 -0.06 -1.46 118.33 119.49 3itq n VAL 147 Ca -0.20 -1.60 -0.15 0.00 -0.01 0.00 0.00 64.34 62.38 3itq n VAL 147 Cb 0.51 -0.28 -0.15 0.00 -0.91 0.00 0.00 33.84 33.02 3itq n VAL 147 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3itq s TYR 149 N -1.97 -0.26 -2.53 3.52 2.02 -1.26 -0.88 117.35 115.99 3itq s TYR 149 Ca 0.30 0.71 0.23 0.00 -0.37 0.00 0.00 57.07 57.93 3itq s TYR 149 Cb -0.02 -0.15 0.10 0.00 -0.40 0.00 0.00 41.96 41.48 3itq s TYR 149 CO 0.19 -0.28 1.17 1.28 -1.57 0.00 0.00 175.55 176.34 3itq n LEU 150 N 5.11 2.55 -3.90 -1.29 4.77 -0.19 -1.25 117.00 122.80 3itq n LEU 150 Ca -0.09 -0.90 -0.08 0.00 -0.03 0.00 0.00 56.01 54.91 3itq n LEU 150 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3itq n LEU 150 CO 0.06 0.44 0.39 0.54 -1.33 0.00 0.00 177.39 177.49 3itq s ASN 151 N -2.17 -0.15 0.10 -1.43 4.22 -1.25 -4.59 114.94 109.66 3itq s ASN 151 Ca 0.23 -0.78 -0.15 0.00 -2.14 0.00 0.00 52.86 50.03 3itq s ASN 151 Cb 0.19 0.70 -0.06 0.00 1.28 0.00 0.00 41.25 43.35 3itq s ASN 151 CO 0.41 -1.32 0.51 -1.81 -2.04 0.00 0.00 177.10 172.84 3itq s ASP 152 N -2.97 6.84 -0.24 3.54 1.01 -1.26 -3.48 116.67 120.12 3itq s ASP 152 Ca 0.15 1.05 -0.04 0.00 0.71 0.00 0.00 52.55 54.42 3itq s ASP 152 Cb -0.04 -2.28 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 3itq s ASP 152 CO 0.08 0.19 -0.02 -0.69 0.21 0.00 0.00 175.17 174.94 3itq s VAL 153 N -1.32 3.47 0.17 -1.27 1.01 -1.26 -4.74 120.40 116.45 3itq s VAL 153 Ca 0.33 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 3itq s VAL 153 Cb -0.16 -2.63 0.11 0.00 0.00 0.00 0.00 36.38 33.70 3itq s VAL 153 CO 0.18 0.34 1.66 -0.08 0.00 0.00 0.00 175.10 177.20 3itq h GLU 154 N 8.13 -0.01 -2.55 2.72 4.81 -1.81 -3.43 114.58 122.43 3itq h GLU 154 Ca -0.39 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.75 3itq h GLU 154 Cb 1.15 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.29 3itq h GLU 154 CO 0.60 -0.01 -0.20 -2.00 -0.73 0.00 0.00 179.01 176.67 3itq s GLU 155 N -6.21 0.50 0.75 1.92 2.12 -0.75 -4.91 118.70 112.11 3itq s GLU 155 Ca -0.14 0.78 0.00 0.00 0.36 0.00 0.00 54.97 55.97 3itq s GLU 155 Cb 0.15 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.66 3itq s GLU 155 CO 0.71 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 3itq n GLY 156 N 3.65 -1.77 2.33 -1.50 0.00 -1.26 -0.69 105.19 105.95 3itq n GLY 156 Ca -0.19 -1.72 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 0.70 3.76 -0.02 0.00 -0.63 -4.75 105.19 104.25 3itq n GLY 157 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.03 3.44 -0.34 1.61 1.03 -1.26 -4.53 118.70 118.62 3itq s GLU 158 Ca 0.00 2.01 -0.23 0.00 0.03 0.00 0.00 54.97 56.78 3itq s GLU 158 Cb 0.00 -2.33 0.00 0.00 -0.80 0.00 0.00 34.13 31.01 3itq s GLU 158 CO 0.00 -0.88 0.75 0.99 -1.33 0.00 0.00 175.26 174.79 3itq s THR 159 N -1.42 4.79 0.09 1.83 2.01 0.14 -0.57 115.64 122.50 3itq s THR 159 Ca 0.68 0.91 0.10 0.00 0.31 0.00 0.00 61.69 63.69 3itq s THR 159 Cb -0.35 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 3itq s THR 159 CO 0.41 -0.35 -0.26 0.72 -0.69 0.00 0.00 174.62 174.45 3itq s PHE 160 N 2.97 2.25 -0.46 4.92 -0.12 -0.17 -0.46 117.98 126.91 3itq s PHE 160 Ca 0.30 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 3itq s PHE 160 Cb -0.14 -1.29 0.12 0.00 -0.63 0.00 0.00 43.02 41.09 3itq s PHE 160 CO 0.15 0.22 0.22 -0.06 -0.05 0.00 0.00 175.22 175.71 3itq s PHE 161 N -0.94 3.49 0.03 3.49 0.08 0.22 -0.82 117.98 123.53 3itq s PHE 161 Ca 0.12 -2.88 0.25 0.00 0.12 0.00 0.00 56.93 54.54 3itq s PHE 161 Cb -0.10 -3.01 0.86 0.00 -0.57 0.00 0.00 43.02 40.20 3itq s PHE 161 CO 0.04 -0.87 1.80 -1.00 -0.10 0.00 0.00 175.22 175.08 3itq h PRO 162 N 7.25 0.00 0.00 0.24 0.13 -1.83 -1.19 132.00 136.60 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 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3itq h PRO 162 CO 0.65 0.18 0.00 1.63 -0.23 0.00 0.00 178.00 180.22 3itq n LYS 163 N -3.27 0.18 -0.00 0.86 5.02 -1.26 -3.66 118.16 116.02 3itq n LYS 163 Ca 0.01 0.20 0.05 0.00 -2.02 0.00 0.00 58.31 56.54 3itq n LYS 163 Cb 0.45 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 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 -2.06 0.39 -3.27 -0.35 4.77 -0.70 -5.01 117.00 110.77 3itq n LEU 164 Ca 0.05 -0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 55.39 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 0.27 0.10 0.20 -3.20 -1.33 0.00 0.00 177.39 173.43 3itq n ASN 165 N -1.33 -6.02 -4.26 -1.43 2.85 -0.53 -5.02 115.26 99.51 3itq n ASN 165 Ca 0.01 -0.46 -0.31 0.00 -0.11 0.00 0.00 54.58 53.71 3itq n ASN 165 Cb 0.17 -4.67 -0.16 0.00 1.24 0.00 0.00 39.78 36.35 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 -6.72 2.06 0.05 1.20 2.96 -1.17 -5.02 118.68 112.04 3itq s LEU 166 Ca 0.50 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3itq s LEU 166 Cb -0.22 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 3itq s LEU 166 CO 0.62 0.25 -0.15 -0.94 -1.32 0.00 0.00 176.35 174.81 3itq s SER 167 N -0.21 1.74 -0.11 3.68 1.04 -1.26 -0.61 113.70 117.96 3itq s SER 167 Ca -0.02 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.92 3itq s SER 167 Cb -0.13 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.90 3itq s SER 167 CO 0.03 0.00 -0.23 -0.69 0.98 0.00 0.00 173.24 173.33 3itq s VAL 168 N -1.01 2.11 0.06 5.02 1.01 0.39 -4.97 120.40 123.00 3itq s VAL 168 Ca 0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 3itq s VAL 168 Cb -0.09 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 3itq s VAL 168 CO 0.02 0.55 0.42 -1.00 0.00 0.00 0.00 175.10 175.09 3itq s HIS 169 N 0.49 3.64 0.37 5.22 3.76 -1.26 -0.68 115.29 126.83 3itq s HIS 169 Ca -0.15 0.90 -0.28 0.00 -0.15 0.00 0.00 55.06 55.38 3itq s HIS 169 Cb -0.17 -2.23 -0.11 0.00 1.11 0.00 0.00 32.58 31.18 3itq s HIS 169 CO 0.05 0.56 1.50 -2.14 -0.85 0.00 0.00 174.74 173.87 3itq s PRO 170 N -1.59 4.11 -0.17 8.40 0.02 -1.26 -4.97 135.00 139.53 3itq s PRO 170 Ca 0.30 2.58 -0.07 0.00 0.02 0.00 0.00 61.00 63.83 3itq s PRO 170 Cb -0.15 -2.97 0.08 0.00 0.02 0.00 0.00 34.50 31.47 3itq s PRO 170 CO 0.16 -0.55 0.37 0.50 -0.33 0.00 0.00 177.00 177.15 3itq s ARG 171 N -1.88 0.29 0.05 5.54 6.06 -1.26 -4.63 118.95 123.13 3itq s ARG 171 Ca 0.54 0.89 -0.35 0.00 -2.50 0.00 0.00 55.73 54.32 3itq s ARG 171 Cb -0.47 0.15 -0.14 0.00 0.06 0.00 0.00 34.95 34.55 3itq s ARG 171 CO 0.61 -0.23 1.59 1.17 -2.50 0.00 0.00 175.30 175.94 3itq n LYS 172 N 5.07 1.82 -1.16 5.12 4.81 -1.23 -4.60 118.16 127.99 3itq n LYS 172 Ca -0.12 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 3itq n LYS 172 Cb 0.51 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.16 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 3.45 0.93 3.62 3.14 0.00 -0.38 -4.97 105.19 110.98 3itq n GLY 173 Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.42 -2.17 -0.13 4.61 0.00 -0.14 -0.93 121.76 120.58 3itq s ALA 175 Ca 0.00 1.64 0.03 0.00 0.00 0.00 0.00 51.96 53.63 3itq s ALA 175 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.94 3itq s ALA 175 CO 0.00 -0.63 -0.22 0.54 0.00 0.00 0.00 175.76 175.44 3itq s VAL 176 N -2.22 2.03 -0.10 0.00 0.11 -0.06 -0.72 120.40 119.42 3itq s VAL 176 Ca 0.11 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.13 3itq s VAL 176 Cb -0.00 -1.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 3itq s VAL 176 CO -0.04 0.55 0.12 -0.47 -3.33 0.00 0.00 175.10 171.93 3itq s TYR 177 N 0.68 3.52 0.05 1.54 5.04 0.02 -0.88 117.35 127.31 3itq s TYR 177 Ca -0.11 0.46 -0.16 0.00 -2.44 0.00 0.00 57.07 54.82 3itq s TYR 177 Cb -0.16 -1.90 0.03 0.00 0.35 0.00 0.00 41.96 40.28 3itq s TYR 177 CO 0.01 0.69 0.37 -0.59 -1.34 0.00 0.00 175.55 174.69 3itq s PHE 178 N -1.03 -0.21 0.13 4.97 -0.12 -0.42 -0.68 117.98 120.62 3itq s PHE 178 Ca 0.16 0.13 0.04 0.00 -0.05 0.00 0.00 56.93 57.20 3itq s PHE 178 Cb -0.12 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3itq s PHE 178 CO 0.05 -0.55 -0.09 -1.83 -0.05 0.00 0.00 175.22 172.74 3itq s GLU 179 N -2.55 1.00 -0.38 1.99 -1.05 -0.99 -1.06 118.70 115.65 3itq s GLU 179 Ca -0.05 -1.40 0.11 0.00 -0.15 0.00 0.00 54.97 53.48 3itq s GLU 179 Cb -0.01 -0.53 0.41 0.00 -0.44 0.00 0.00 34.13 33.56 3itq s GLU 179 CO -0.03 0.06 1.25 2.48 0.95 0.00 0.00 175.26 179.97 3itq n TYR 180 N -0.10 -1.56 -1.90 4.83 0.18 -0.34 -4.45 117.16 113.81 3itq n TYR 180 Ca -0.11 -2.15 -0.18 0.00 1.88 0.00 0.00 57.90 57.35 3itq n TYR 180 Cb 0.60 1.10 0.07 0.00 -0.38 0.00 0.00 39.34 40.73 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 -0.45 2.15 -2.74 -3.48 7.35 -1.25 -4.82 117.46 114.22 3itq n PHE 181 Ca 0.00 -2.08 -0.32 0.00 -0.76 0.00 0.00 57.45 54.30 3itq n PHE 181 Cb 0.84 -0.35 -0.04 0.00 0.35 0.00 0.00 39.48 40.27 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 -3.52 3.42 0.22 -5.13 2.02 -1.26 -4.48 117.35 108.61 3itq s TYR 182 Ca 0.49 1.31 -0.01 0.00 -0.37 0.00 0.00 57.07 58.48 3itq s TYR 182 Cb 0.40 -2.64 0.20 0.00 -0.40 0.00 0.00 41.96 39.52 3itq s TYR 182 CO 0.01 -0.16 1.56 0.37 -1.57 0.00 0.00 175.55 175.76 3itq h GLN 183 N 1.42 0.50 -6.53 -0.62 4.15 -1.97 -3.40 115.11 108.65 3itq h GLN 183 Ca -0.47 -0.28 -0.57 0.00 0.77 0.00 0.00 58.65 58.09 3itq h GLN 183 Cb 1.18 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.81 3itq h GLN 183 CO 0.63 0.87 0.85 0.34 -1.93 0.00 0.00 178.83 179.59 3itq s ASP 184 N -6.89 6.56 0.57 -0.69 -1.08 -1.26 -4.90 116.67 108.98 3itq s ASP 184 Ca -0.07 0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.52 3itq s ASP 184 Cb 0.12 -2.52 1.67 0.00 -1.46 0.00 0.00 42.92 40.72 3itq s ASP 184 CO 0.82 -1.25 2.21 -0.61 0.52 0.00 0.00 175.17 176.86 3itq h GLN 185 N 9.26 0.00 -0.21 4.34 5.75 -2.01 -1.22 115.11 131.02 3itq h GLN 185 Ca -0.24 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 3itq h GLN 185 Cb 1.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 3itq h GLN 185 CO 1.12 0.02 -0.03 0.77 -2.65 0.00 0.00 178.83 178.05 3itq h SER 186 N 0.00 0.28 -0.32 -0.69 0.02 -1.95 -0.81 113.55 110.09 3itq h SER 186 Ca -0.00 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.76 3itq h SER 186 Cb 0.05 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3itq h SER 186 CO 0.00 0.37 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.62 3itq h LEU 187 N 0.30 0.88 -0.93 5.07 3.38 -1.62 -2.55 115.31 119.85 3itq h LEU 187 Ca 0.07 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3itq h LEU 187 Cb 0.26 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3itq h LEU 187 CO 0.01 1.19 0.42 0.78 0.09 0.00 0.00 178.44 180.93 3itq h ASN 188 N 0.59 1.07 0.57 -0.43 2.35 -1.41 -2.34 115.58 115.98 3itq h ASN 188 Ca 0.04 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3itq h ASN 188 Cb 0.96 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 3itq h ASN 188 CO 0.09 0.89 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.37 3itq h GLU 189 N 1.18 0.00 0.00 0.81 5.08 -0.94 -2.23 114.58 118.47 3itq h GLU 189 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3itq h GLU 189 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3itq h GLU 189 CO -0.04 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 3itq n LEU 190 N -3.29 0.00 -0.33 1.33 4.77 -0.88 -2.58 117.00 116.02 3itq n LEU 190 Ca -0.01 0.44 0.08 0.00 -0.03 0.00 0.00 56.01 56.48 3itq n LEU 190 Cb 0.24 -0.44 0.33 0.00 -2.33 0.00 0.00 43.42 41.22 3itq n LEU 190 CO 0.27 -0.13 0.73 0.35 -1.33 0.00 0.00 177.39 177.28 3itq n THR 191 N -1.44 0.17 -1.60 -5.08 -2.24 -0.84 -4.65 114.28 98.60 3itq n THR 191 Ca 0.06 -0.22 -0.53 0.00 -2.27 0.00 0.00 64.05 61.09 3itq n THR 191 Cb 0.22 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.08 1.59 -3.72 3.22 7.94 -1.06 -4.81 117.00 120.08 3itq n LEU 192 Ca 0.12 1.12 -0.14 0.00 -1.11 0.00 0.00 56.01 56.00 3itq n LEU 192 Cb 0.20 -1.16 -0.08 0.00 0.53 0.00 0.00 43.42 42.91 3itq n LEU 192 CO 0.09 -1.05 0.09 -1.38 -1.11 0.00 0.00 177.39 174.04 3itq s HIS 193 N 0.75 -0.25 0.31 1.96 -3.43 -0.33 -3.86 115.29 110.44 3itq s HIS 193 Ca 0.86 0.34 0.03 0.00 -0.80 0.00 0.00 55.06 55.49 3itq s HIS 193 Cb -0.99 0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 30.26 3itq s HIS 193 CO 0.49 -0.45 0.09 0.20 -2.00 0.00 0.00 174.74 173.07 3itq s GLY 194 N -1.47 2.02 -0.23 -1.38 0.00 0.00 -0.81 107.32 105.44 3itq s GLY 194 Ca -0.11 -1.86 -0.02 0.00 0.00 0.00 0.00 44.72 42.74 3itq s GLY 194 CO 0.03 -1.72 -0.08 -0.32 0.00 0.00 0.00 173.10 171.01 3itq s GLY 195 N -3.43 1.58 0.54 0.20 0.00 -0.64 -1.00 107.32 104.58 3itq s GLY 195 Ca 0.35 -1.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.53 3itq s GLY 195 CO 0.15 0.45 1.13 0.00 0.00 0.00 0.00 173.10 174.83 3itq s ALA 196 N 1.36 2.69 0.43 3.20 0.00 0.27 -1.60 121.76 128.11 3itq s ALA 196 Ca 0.02 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 3itq s ALA 196 Cb -0.15 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 3itq s ALA 196 CO -0.06 -0.77 1.37 -0.35 0.00 0.00 0.00 175.76 175.95 3itq n PRO 197 N -1.32 2.14 -2.26 0.00 -0.04 -1.26 -2.60 135.00 129.66 3itq n PRO 197 Ca 0.12 0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 63.92 3itq n PRO 197 Cb 0.51 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 3itq n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3itq s VAL 198 N -1.19 3.42 -0.03 0.52 1.01 -1.04 -1.61 120.40 121.48 3itq s VAL 198 Ca 0.60 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.76 3itq s VAL 198 Cb -0.48 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.08 3itq s VAL 198 CO 0.58 0.13 0.15 0.35 0.00 0.00 0.00 175.10 176.31 3itq n THR 199 N 3.20 0.11 -3.79 3.92 -2.24 0.14 -0.68 114.28 114.95 3itq n THR 199 Ca 0.08 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 3itq n THR 199 Cb 0.43 0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.50 0.12 2.64 -0.78 1.02 -0.99 -4.89 119.74 114.37 3itq s LYS 200 Ca -0.03 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.24 3itq s LYS 200 Cb 0.05 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 3itq s LYS 200 CO 0.34 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.09 3itq n GLY 201 N 3.63 0.51 3.33 -3.33 0.00 -1.26 -1.81 105.19 106.26 3itq n GLY 201 Ca -0.20 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 0.91 -0.12 1.61 -1.05 -1.26 -3.72 118.70 115.07 3itq s GLU 202 Ca 0.00 -0.29 0.03 0.00 -0.15 0.00 0.00 54.97 54.55 3itq s GLU 202 Cb 0.00 0.41 -0.00 0.00 -0.44 0.00 0.00 34.13 34.10 3itq s GLU 202 CO 0.00 -0.31 -0.21 0.21 0.95 0.00 0.00 175.26 175.90 3itq s LYS 203 N -2.26 3.11 -0.10 -4.83 2.20 0.18 -4.46 119.74 113.57 3itq s LYS 203 Ca -0.07 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.74 3itq s LYS 203 Cb -0.01 -2.41 -0.01 0.00 -1.51 0.00 0.00 37.83 33.89 3itq s LYS 203 CO -0.01 0.13 -0.19 -1.58 -0.36 0.00 0.00 175.35 173.34 3itq s TRP 204 N 0.48 2.66 0.07 4.03 0.52 -1.26 -0.44 118.94 125.00 3itq s TRP 204 Ca -0.14 -0.75 0.04 0.00 0.02 0.00 0.00 56.10 55.26 3itq s TRP 204 Cb -0.17 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 3itq s TRP 204 CO 0.05 -0.25 -0.11 0.96 0.02 0.00 0.00 176.95 177.63 3itq s ILE 205 N 0.17 0.86 -0.05 2.03 -4.36 -0.13 -1.02 121.20 118.70 3itq s ILE 205 Ca -0.11 -1.36 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 3itq s ILE 205 Cb -0.16 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.49 3itq s ILE 205 CO 0.06 -0.40 -0.12 0.00 0.24 0.00 0.00 174.94 174.72 3itq s ALA 206 N -1.76 2.78 0.10 2.27 0.00 -1.26 -1.02 121.76 122.86 3itq s ALA 206 Ca -0.02 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.08 3itq s ALA 206 Cb -0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3itq s ALA 206 CO 0.01 0.57 -0.25 0.95 0.00 0.00 0.00 175.76 177.03 3itq s THR 207 N -0.78 2.05 -0.19 0.00 -4.23 0.20 -4.35 115.64 108.34 3itq s THR 207 Ca 0.12 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 3itq s THR 207 Cb -0.11 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 71.96 3itq s THR 207 CO 0.01 0.14 -0.13 -1.58 -0.54 0.00 0.00 174.62 172.52 3itq s GLN 208 N -1.74 2.30 -0.18 3.99 2.00 -0.54 -2.08 119.66 123.41 3itq s GLN 208 Ca 0.11 -0.82 -0.08 0.00 -2.00 0.00 0.00 55.36 52.57 3itq s GLN 208 Cb -0.10 -2.42 -0.04 0.00 0.80 0.00 0.00 33.01 31.25 3itq s GLN 208 CO 0.04 -0.35 0.09 -1.58 -0.50 0.00 0.00 175.29 172.99 3itq s TRP 209 N 1.37 3.33 -0.09 1.67 0.51 -1.26 -1.26 118.94 123.21 3itq s TRP 209 Ca 0.01 0.20 0.02 0.00 -2.12 0.00 0.00 56.10 54.20 3itq s TRP 209 Cb -0.15 -2.08 -0.02 0.00 -0.81 0.00 0.00 33.47 30.41 3itq s TRP 209 CO -0.09 0.26 -0.14 0.08 -0.51 0.00 0.00 176.95 176.55 3itq s VAL 210 N 0.20 3.04 0.46 4.03 1.01 -0.66 -1.06 120.40 127.42 3itq s VAL 210 Ca 0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3itq s VAL 210 Cb -0.12 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3itq s VAL 210 CO -0.00 0.56 0.70 -0.13 0.00 0.00 0.00 175.10 176.23 3itq s ARG 211 N -0.22 3.16 0.15 2.72 1.81 0.13 -0.51 118.95 126.19 3itq s ARG 211 Ca 0.01 -0.31 -0.17 0.00 -1.72 0.00 0.00 55.73 53.54 3itq s ARG 211 Cb -0.13 -2.51 0.04 0.00 -0.45 0.00 0.00 34.95 31.91 3itq s ARG 211 CO 0.03 -0.27 1.75 -0.09 -0.68 0.00 0.00 175.30 176.04 3itq h ARG 212 N 0.34 0.23 0.00 3.54 2.43 -1.38 -3.45 114.38 116.10 3itq h ARG 212 Ca -0.47 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.52 3itq h ARG 212 Cb 1.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3itq h ARG 212 CO 0.59 0.15 -0.09 0.41 -1.51 0.00 0.00 179.97 179.52 3itq n GLY 213 N -1.21 3.19 3.70 2.80 0.00 -1.26 -5.08 105.19 107.33 3itq n GLY 213 Ca 0.01 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.91 2.04 -0.08 2.61 -4.23 -1.26 -4.52 115.64 109.28 3itq s THR 214 Ca 0.07 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 3itq s THR 214 Cb -0.01 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.32 3itq s THR 214 CO 0.04 -0.01 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.59 3itq s TYR 215 N -1.99 1.10 0.00 3.99 5.04 -0.16 -4.92 117.35 120.42 3itq s TYR 215 Ca 0.75 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 3itq s TYR 215 Cb -0.31 -0.97 0.00 0.00 0.35 0.00 0.00 41.96 41.04 3itq s TYR 215 CO 0.48 -0.36 0.00 1.63 -1.34 0.00 0.00 175.55 175.97