#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itn n GLY 30 N 0.00 -3.33 3.74 0.23 0.00 -1.26 -4.92 105.19 99.64 3itn n GLY 30 Ca 0.00 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 3itn n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3itn s ILE 31 N -1.76 2.81 0.11 -0.61 1.01 -1.26 -5.02 121.20 116.48 3itn s ILE 31 Ca 0.35 0.66 0.10 0.00 0.00 0.00 0.00 60.65 61.77 3itn s ILE 31 Cb -0.05 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3itn s ILE 31 CO 0.29 0.10 -0.24 -0.55 0.00 0.00 0.00 174.94 174.53 3itn s SER 32 N 0.46 3.47 0.10 3.58 0.15 -1.26 -5.14 113.70 115.07 3itn s SER 32 Ca 0.60 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 56.65 3itn s SER 32 Cb -0.41 -0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 63.54 3itn s SER 32 CO 0.40 0.19 -0.17 -0.76 1.20 0.00 0.00 173.24 174.11 3itn s LEU 33 N -1.96 2.33 -0.50 3.45 1.43 -1.26 -5.09 118.68 117.09 3itn s LEU 33 Ca 0.15 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3itn s LEU 33 Cb -0.10 -0.68 0.30 0.00 0.03 0.00 0.00 46.19 45.73 3itn s LEU 33 CO 0.07 -0.04 0.73 -0.67 0.23 0.00 0.00 176.35 176.67 3itn n ASP 34 N 0.93 2.31 0.00 2.29 2.03 -1.26 -4.86 116.55 118.00 3itn n ASP 34 Ca -0.18 -3.21 0.11 0.00 0.52 0.00 0.00 54.79 52.03 3itn n ASP 34 Cb 0.55 -0.62 -0.05 0.00 -0.72 0.00 0.00 41.12 40.28 3itn n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3itn n ASN 35 N 0.59 0.75 -4.18 1.67 5.03 -1.26 -4.96 115.26 112.90 3itn n ASN 35 Ca 0.27 -0.64 -0.19 0.00 0.87 0.00 0.00 54.58 54.89 3itn n ASN 35 Cb 0.50 0.97 -0.12 0.00 -1.02 0.00 0.00 39.78 40.10 3itn n ASN 35 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3itn s SER 36 N -3.33 1.71 0.54 6.41 1.04 -1.26 -0.69 113.70 118.12 3itn s SER 36 Ca 0.06 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 55.65 3itn s SER 36 Cb 0.16 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 3itn s SER 36 CO 0.84 -0.07 1.37 -0.31 0.98 0.00 0.00 173.24 176.05 3itn s TYR 37 N -1.27 2.30 -0.32 5.02 2.02 -0.07 -4.85 117.35 120.18 3itn s TYR 37 Ca -0.02 1.36 -0.29 0.00 -0.37 0.00 0.00 57.07 57.75 3itn s TYR 37 Cb -0.10 -3.82 -0.00 0.00 -0.40 0.00 0.00 41.96 37.64 3itn s TYR 37 CO 0.02 -2.92 1.38 0.21 -1.57 0.00 0.00 175.55 172.67 3itn s LYS 38 N -2.86 3.81 -0.16 -0.62 2.20 -1.26 -4.82 119.74 116.03 3itn s LYS 38 Ca 0.70 1.24 0.17 0.00 -0.36 0.00 0.00 55.97 57.72 3itn s LYS 38 Cb -0.41 -3.94 0.37 0.00 -1.51 0.00 0.00 37.83 32.34 3itn s LYS 38 CO 0.49 -1.26 1.23 -1.33 -0.36 0.00 0.00 175.35 174.12 3itn n MET 39 N 7.56 1.67 -0.79 4.03 2.81 -1.26 -4.63 117.12 126.51 3itn n MET 39 Ca 0.16 -2.77 -0.03 0.00 -1.81 0.00 0.00 57.70 53.25 3itn n MET 39 Cb 0.47 -1.60 0.24 0.00 -0.71 0.00 0.00 33.22 31.61 3itn n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3itn n ASP 40 N -1.20 3.53 -4.65 7.83 3.85 -1.26 -4.82 116.55 119.84 3itn n ASP 40 Ca 0.18 -3.41 -0.29 0.00 -0.71 0.00 0.00 54.79 50.56 3itn n ASP 40 Cb 0.72 -0.65 0.18 0.00 -1.35 0.00 0.00 41.12 40.02 3itn n ASP 40 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3itn s TYR 41 N -3.08 1.96 0.38 2.11 1.51 -1.26 -4.88 117.35 114.10 3itn s TYR 41 Ca 0.47 1.20 0.14 0.00 -1.01 0.00 0.00 57.07 57.87 3itn s TYR 41 Cb 0.40 -3.19 0.98 0.00 -0.11 0.00 0.00 41.96 40.04 3itn s TYR 41 CO 0.07 -2.94 1.83 -1.35 -1.11 0.00 0.00 175.55 172.04 3itn h PRO 42 N -1.94 0.51 -5.74 -1.71 0.11 -1.94 -3.42 132.00 117.87 3itn h PRO 42 Ca -0.53 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.01 3itn h PRO 42 Cb 1.31 -0.11 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 3itn h PRO 42 CO 0.53 0.34 -0.83 -1.21 -0.21 0.00 0.00 178.00 176.62 3itn s GLU 43 N -5.56 1.27 0.27 1.05 2.02 -0.63 -5.02 118.70 112.09 3itn s GLU 43 Ca -0.09 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.12 3itn s GLU 43 Cb 0.23 -1.31 0.39 0.00 0.10 0.00 0.00 34.13 33.55 3itn s GLU 43 CO 0.79 0.34 1.73 0.52 0.02 0.00 0.00 175.26 178.66 3itn h MET 44 N 5.14 0.57 0.00 1.61 2.86 -1.81 0.91 114.93 124.22 3itn h MET 44 Ca -0.39 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 3itn h MET 44 Cb 1.16 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3itn h MET 44 CO 0.45 0.73 0.00 0.41 1.06 0.00 0.00 176.91 179.56 3itn n GLY 45 N -0.45 0.82 3.86 8.32 0.00 -1.26 -1.08 105.19 115.40 3itn n GLY 45 Ca 0.00 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 3itn n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itn s LEU 46 N 0.00 4.12 -0.29 0.99 1.43 -1.26 -0.95 118.68 122.72 3itn s LEU 46 Ca 0.00 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 3itn s LEU 46 Cb 0.00 -3.88 0.09 0.00 0.03 0.00 0.00 46.19 42.43 3itn s LEU 46 CO 0.00 -0.14 0.05 0.00 0.23 0.00 0.00 176.35 176.50 3itn s ILE 48 N 1.45 5.13 -0.26 0.00 -1.09 -0.03 -0.98 121.20 125.42 3itn s ILE 48 Ca 0.06 0.82 -0.01 0.00 -2.23 0.00 0.00 60.65 59.28 3itn s ILE 48 Cb -0.18 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 36.95 3itn s ILE 48 CO -0.16 0.17 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.04 3itn s ILE 49 N 1.76 2.88 -0.35 2.92 1.01 -0.11 0.31 121.20 129.62 3itn s ILE 49 Ca 0.21 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 3itn s ILE 49 Cb -0.15 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.81 3itn s ILE 49 CO 0.09 0.11 0.20 -0.63 0.00 0.00 0.00 174.94 174.71 3itn s ILE 50 N 1.30 4.70 -0.43 2.92 1.01 -0.03 -0.52 121.20 130.16 3itn s ILE 50 Ca -0.02 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 3itn s ILE 50 Cb -0.18 -3.52 0.11 0.00 0.01 0.00 0.00 42.46 38.89 3itn s ILE 50 CO -0.04 -0.10 0.25 0.21 0.00 0.00 0.00 174.94 175.26 3itn s ASN 51 N 1.60 5.40 -0.37 3.58 3.04 0.32 -0.99 114.94 127.52 3itn s ASN 51 Ca 0.04 -1.98 -0.13 0.00 0.04 0.00 0.00 52.86 50.82 3itn s ASN 51 Cb -0.18 -1.89 0.00 0.00 -1.54 0.00 0.00 41.25 37.65 3itn s ASN 51 CO 0.07 -0.59 0.25 0.20 -3.04 0.00 0.00 177.10 173.99 3itn s ASN 52 N 2.09 5.99 -0.15 -4.21 0.01 -0.53 -1.14 114.94 117.00 3itn s ASN 52 Ca 0.07 -0.68 -0.07 0.00 -0.71 0.00 0.00 52.86 51.47 3itn s ASN 52 Cb -0.24 -2.12 -0.07 0.00 0.41 0.00 0.00 41.25 39.23 3itn s ASN 52 CO -0.03 -0.33 -0.19 1.17 -1.51 0.00 0.00 177.10 176.21 3itn n LYS 53 N 5.10 0.33 -3.78 -0.60 4.81 -1.26 -4.54 118.16 118.23 3itn n LYS 53 Ca -0.12 0.14 -0.35 0.00 -0.87 0.00 0.00 58.31 57.11 3itn n LYS 53 Cb 0.48 -1.08 -0.08 0.00 0.02 0.00 0.00 35.03 34.37 3itn n LYS 53 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3itn s ASN 54 N -6.28 6.11 0.10 3.14 0.02 -1.26 -1.51 114.94 115.25 3itn s ASN 54 Ca -0.22 0.20 0.09 0.00 -1.02 0.00 0.00 52.86 51.91 3itn s ASN 54 Cb 0.08 -2.07 -0.04 0.00 0.02 0.00 0.00 41.25 39.24 3itn s ASN 54 CO 0.28 0.18 -0.20 -0.36 0.02 0.00 0.00 177.10 177.01 3itn s PHE 55 N 0.38 2.48 0.14 2.20 0.40 -1.26 -4.79 117.98 117.53 3itn s PHE 55 Ca 0.07 -0.29 -0.33 0.00 -0.60 0.00 0.00 56.93 55.77 3itn s PHE 55 Cb -0.11 -1.36 -0.13 0.00 0.51 0.00 0.00 43.02 41.93 3itn s PHE 55 CO -0.01 0.33 1.67 0.72 0.70 0.00 0.00 175.22 178.62 3itn n HIS 56 N 1.06 2.41 -0.31 0.36 8.25 -0.30 -4.84 115.22 121.85 3itn n HIS 56 Ca -0.16 0.15 0.17 0.00 -0.26 0.00 0.00 57.72 57.61 3itn n HIS 56 Cb 0.53 -2.60 0.35 0.00 1.12 0.00 0.00 29.99 29.39 3itn n HIS 56 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3itn h LYS 57 N 6.72 0.26 -0.03 -0.41 3.64 -1.91 0.12 116.57 124.97 3itn h LYS 57 Ca -0.45 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3itn h LYS 57 Cb 1.24 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3itn h LYS 57 CO 0.91 0.17 0.09 0.77 -2.27 0.00 0.00 179.45 179.13 3itn h SER 58 N 0.27 0.00 1.36 4.20 0.02 -1.96 0.18 113.55 117.62 3itn h SER 58 Ca 0.62 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.54 3itn h SER 58 Cb 1.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 3itn h SER 58 CO -0.63 0.00 -0.12 0.71 -1.14 0.00 0.00 176.83 175.65 3itn h THR 59 N 0.00 0.25 -1.40 -2.27 1.35 -1.10 -3.47 112.91 106.28 3itn h THR 59 Ca 0.01 -1.04 -0.22 0.00 -0.55 0.00 0.00 66.41 64.61 3itn h THR 59 Cb 0.20 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 3itn h THR 59 CO -0.00 0.12 -0.27 0.61 -0.25 0.00 0.00 175.52 175.73 3itn n GLY 60 N 0.55 0.16 3.58 5.82 0.00 0.05 -5.01 105.19 110.33 3itn n GLY 60 Ca 0.02 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3itn n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3itn s MET 61 N -4.26 3.38 0.72 1.61 -1.94 -1.26 -5.11 119.30 112.44 3itn s MET 61 Ca 0.00 -0.47 -0.11 0.00 -1.71 0.00 0.00 55.69 53.41 3itn s MET 61 Cb 0.00 -2.87 0.02 0.00 2.01 0.00 0.00 34.83 33.99 3itn s MET 61 CO 0.00 0.44 1.07 0.95 -0.01 0.00 0.00 175.02 177.47 3itn s THR 62 N -0.17 3.81 0.56 2.05 -4.23 -1.26 -4.60 115.64 111.80 3itn s THR 62 Ca 0.04 0.59 -0.18 0.00 -1.18 0.00 0.00 61.69 60.96 3itn s THR 62 Cb -0.13 -3.25 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 3itn s THR 62 CO 0.02 -0.77 1.07 -0.44 -0.54 0.00 0.00 174.62 173.96 3itn s SER 63 N -3.68 5.85 -1.08 3.99 0.01 -1.26 -4.74 113.70 112.79 3itn s SER 63 Ca 0.59 1.93 -0.06 0.00 1.31 0.00 0.00 55.95 59.72 3itn s SER 63 Cb -0.15 -2.55 0.29 0.00 0.21 0.00 0.00 66.02 63.82 3itn s SER 63 CO 0.55 -1.12 1.25 0.54 0.41 0.00 0.00 173.24 174.87 3itn n ARG 64 N -1.66 3.88 -1.66 12.44 1.74 -0.57 -5.03 116.66 125.80 3itn n ARG 64 Ca 0.10 -4.51 -0.44 0.00 -0.77 0.00 0.00 57.85 52.22 3itn n ARG 64 Cb 0.52 -2.52 -0.02 0.00 -1.02 0.00 0.00 32.46 29.42 3itn n ARG 64 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3itn n SER 65 N 2.02 2.47 0.00 0.55 7.64 -1.26 -1.80 113.62 123.23 3itn n SER 65 Ca 0.25 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.29 3itn n SER 65 Cb 0.36 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 3itn n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3itn n GLY 66 N 1.68 1.66 0.23 0.23 0.00 -1.22 -4.03 105.19 103.75 3itn n GLY 66 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 3itn n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itn h THR 67 N 0.00 0.75 -0.23 2.61 1.03 -1.68 -2.21 112.91 113.18 3itn h THR 67 Ca 0.00 -0.85 -0.09 0.00 -0.01 0.00 0.00 66.41 65.46 3itn h THR 67 Cb 0.00 1.52 -0.01 0.00 -1.07 0.00 0.00 68.15 68.59 3itn h THR 67 CO 0.00 0.20 -0.23 0.44 -0.01 0.00 0.00 175.52 175.92 3itn h ASP 68 N 0.00 0.42 -0.65 0.00 3.32 -1.91 -0.46 116.42 117.13 3itn h ASP 68 Ca -0.00 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3itn h ASP 68 Cb 0.51 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3itn h ASP 68 CO 0.03 0.66 0.25 0.58 -1.72 0.00 0.00 179.24 179.04 3itn h VAL 69 N 0.38 1.24 -0.26 -1.35 2.07 -1.79 -1.35 116.25 115.18 3itn h VAL 69 Ca 0.06 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3itn h VAL 69 Cb 0.62 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3itn h VAL 69 CO 0.04 0.30 0.14 0.44 0.02 0.00 0.00 177.57 178.52 3itn h ASP 70 N 0.93 0.33 -0.92 0.57 3.32 -1.29 -1.10 116.42 118.26 3itn h ASP 70 Ca 0.22 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3itn h ASP 70 Cb 0.22 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3itn h ASP 70 CO -0.02 0.32 0.53 0.00 -1.72 0.00 0.00 179.24 178.36 3itn h ALA 71 N 1.02 1.17 -0.17 3.45 0.00 -0.81 -0.24 119.26 123.68 3itn h ALA 71 Ca 0.09 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3itn h ALA 71 Cb 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3itn h ALA 71 CO -0.01 0.65 -0.67 0.00 0.00 0.00 0.00 179.25 179.21 3itn h ALA 72 N 1.29 0.50 -0.35 0.00 0.00 -1.14 -1.43 119.26 118.14 3itn h ALA 72 Ca 0.33 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3itn h ALA 72 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3itn h ALA 72 CO -0.06 0.70 0.15 -0.97 0.00 0.00 0.00 179.25 179.07 3itn h ASN 73 N 0.48 0.47 -0.60 0.00 -0.00 -0.90 -1.92 115.58 113.11 3itn h ASN 73 Ca -0.02 -0.16 -0.08 0.00 -0.00 0.00 0.00 56.30 56.04 3itn h ASN 73 Cb 1.26 -0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 39.44 3itn h ASN 73 CO 0.13 0.50 0.05 -0.07 -0.00 0.00 0.00 177.43 178.04 3itn h LEU 74 N 0.42 0.99 -0.20 0.34 3.38 -1.01 -0.66 115.31 118.57 3itn h LEU 74 Ca 0.12 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3itn h LEU 74 Cb 0.17 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3itn h LEU 74 CO -0.01 1.03 0.08 -0.09 0.09 0.00 0.00 178.44 179.54 3itn h ARG 75 N 0.92 0.18 -0.38 1.13 2.43 -1.08 -0.65 114.38 116.93 3itn h ARG 75 Ca 0.18 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3itn h ARG 75 Cb 0.49 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3itn h ARG 75 CO 0.02 0.12 0.01 1.49 -1.51 0.00 0.00 179.97 180.09 3itn h GLU 76 N 0.18 0.67 -0.17 0.20 4.57 -1.23 -1.04 114.58 117.75 3itn h GLU 76 Ca 0.09 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3itn h GLU 76 Cb 0.05 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3itn h GLU 76 CO -0.08 0.76 0.10 1.15 -1.18 0.00 0.00 179.01 179.76 3itn h THR 77 N 0.49 1.08 0.00 0.32 2.02 -0.92 -1.55 112.91 114.36 3itn h THR 77 Ca 0.11 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 3itn h THR 77 Cb 0.46 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3itn h THR 77 CO 0.02 0.07 -0.35 -0.26 0.37 0.00 0.00 175.52 175.37 3itn h PHE 78 N 0.20 0.00 -0.61 3.16 -1.00 -1.13 -2.86 116.94 114.71 3itn h PHE 78 Ca 0.06 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 3itn h PHE 78 Cb 0.03 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 3itn h PHE 78 CO -0.05 0.35 0.17 -0.09 -1.61 0.00 0.00 178.31 177.08 3itn h ARG 79 N 0.00 0.95 0.00 1.51 2.43 -0.90 -1.17 114.38 117.21 3itn h ARG 79 Ca -0.00 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3itn h ARG 79 Cb 1.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3itn h ARG 79 CO 0.05 0.86 -0.11 -0.91 -1.51 0.00 0.00 179.97 178.35 3itn h ASN 80 N 0.87 0.00 -0.15 -3.80 2.35 -1.07 -0.98 115.58 112.80 3itn h ASN 80 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3itn h ASN 80 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3itn h ASN 80 CO -0.00 0.11 0.00 0.18 -1.65 0.00 0.00 177.43 176.07 3itn n LEU 81 N -3.50 1.46 -0.66 1.61 4.77 -0.79 -4.92 117.00 114.97 3itn n LEU 81 Ca -0.01 -0.62 -0.06 0.00 -0.03 0.00 0.00 56.01 55.29 3itn n LEU 81 Cb 0.25 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3itn n LEU 81 CO 0.29 0.31 -0.07 0.29 -1.33 0.00 0.00 177.39 176.88 3itn n LYS 82 N 0.19 -0.47 -3.48 3.23 4.76 -0.37 -4.93 118.16 117.09 3itn n LYS 82 Ca 0.15 0.31 -0.32 0.00 -2.87 0.00 0.00 58.31 55.58 3itn n LYS 82 Cb 0.29 -4.13 -0.05 0.00 -1.84 0.00 0.00 35.03 29.30 3itn n LYS 82 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3itn s TYR 83 N -2.29 3.44 -0.68 2.13 1.51 -0.51 -4.08 117.35 116.87 3itn s TYR 83 Ca 0.00 0.80 -0.24 0.00 -1.01 0.00 0.00 57.07 56.62 3itn s TYR 83 Cb 0.00 -2.20 0.06 0.00 -0.11 0.00 0.00 41.96 39.71 3itn s TYR 83 CO 0.00 0.31 1.07 -2.00 -1.11 0.00 0.00 175.55 173.82 3itn s GLU 84 N -2.75 3.15 -0.02 -0.62 2.12 -0.12 -4.46 118.70 115.98 3itn s GLU 84 Ca 0.45 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.94 3itn s GLU 84 Cb -0.11 -4.20 -0.05 0.00 0.26 0.00 0.00 34.13 30.03 3itn s GLU 84 CO 0.22 -1.91 0.69 0.08 -0.54 0.00 0.00 175.26 173.80 3itn s VAL 85 N 4.60 4.94 -0.17 3.70 1.01 -1.26 -0.85 120.40 132.36 3itn s VAL 85 Ca 0.27 1.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 3itn s VAL 85 Cb -0.14 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3itn s VAL 85 CO 0.12 0.32 -0.08 -0.13 0.00 0.00 0.00 175.10 175.34 3itn s ARG 86 N 0.35 1.67 -0.14 2.72 0.52 -0.15 -4.94 118.95 118.97 3itn s ARG 86 Ca 0.36 -0.58 -0.10 0.00 -0.52 0.00 0.00 55.73 54.89 3itn s ARG 86 Cb -0.18 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 3itn s ARG 86 CO 0.19 -0.40 0.19 -0.80 0.02 0.00 0.00 175.30 174.50 3itn s ASN 87 N 1.56 6.38 -0.03 0.23 -0.87 -1.26 -0.94 114.94 120.01 3itn s ASN 87 Ca 0.01 0.44 0.03 0.00 -1.57 0.00 0.00 52.86 51.78 3itn s ASN 87 Cb -0.15 -2.11 -0.00 0.00 -0.02 0.00 0.00 41.25 38.96 3itn s ASN 87 CO -0.08 0.27 -0.13 -0.54 -2.57 0.00 0.00 177.10 174.04 3itn s LYS 88 N -0.30 1.39 0.04 -0.60 -0.14 0.32 -4.96 119.74 115.50 3itn s LYS 88 Ca 0.14 -0.47 0.08 0.00 -1.36 0.00 0.00 55.97 54.36 3itn s LYS 88 Cb -0.12 -1.24 -0.03 0.00 -1.68 0.00 0.00 37.83 34.75 3itn s LYS 88 CO 0.03 0.19 -0.20 -0.80 -0.76 0.00 0.00 175.35 173.80 3itn s ASN 89 N 0.10 3.63 -0.99 2.83 0.02 -1.26 -0.52 114.94 118.75 3itn s ASN 89 Ca -0.03 -0.46 -0.15 0.00 -1.02 0.00 0.00 52.86 51.20 3itn s ASN 89 Cb -0.10 -0.53 0.02 0.00 0.02 0.00 0.00 41.25 40.65 3itn s ASN 89 CO 0.01 0.26 0.66 0.47 0.02 0.00 0.00 177.10 178.52 3itn n ASP 90 N 1.65 -4.82 -4.84 -1.22 8.00 -0.29 -4.95 116.55 110.08 3itn n ASP 90 Ca -0.16 -1.04 -0.37 0.00 0.71 0.00 0.00 54.79 53.92 3itn n ASP 90 Cb 0.52 -2.06 -0.06 0.00 -0.02 0.00 0.00 41.12 39.50 3itn n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3itn s LEU 91 N -5.97 4.39 0.89 0.64 1.43 -1.26 -4.88 118.68 113.92 3itn s LEU 91 Ca 0.23 0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 3itn s LEU 91 Cb -0.12 -2.28 0.13 0.00 0.03 0.00 0.00 46.19 43.95 3itn s LEU 91 CO 0.91 0.33 1.11 0.42 0.23 0.00 0.00 176.35 179.35 3itn s THR 92 N -0.80 2.47 0.24 5.49 -4.23 -1.26 -1.40 115.64 116.16 3itn s THR 92 Ca 0.18 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.80 3itn s THR 92 Cb -0.14 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.13 3itn s THR 92 CO 0.07 -0.20 1.80 0.08 -0.54 0.00 0.00 174.62 175.83 3itn h ARG 93 N -1.48 0.72 -0.66 3.99 0.11 -1.85 -0.59 114.38 114.64 3itn h ARG 93 Ca -0.50 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.47 3itn h ARG 93 Cb 1.30 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 32.19 3itn h ARG 93 CO 0.59 0.48 0.14 0.93 0.10 0.00 0.00 179.97 182.20 3itn h GLU 94 N 0.75 1.07 -0.23 0.08 3.07 -1.94 -2.70 114.58 114.67 3itn h GLU 94 Ca 0.40 -0.27 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 3itn h GLU 94 Cb 0.40 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3itn h GLU 94 CO -0.26 0.97 -0.31 0.93 -1.40 0.00 0.00 179.01 178.93 3itn h GLU 95 N 0.99 0.46 -0.14 2.33 5.08 -1.70 -2.05 114.58 119.56 3itn h GLU 95 Ca 0.20 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3itn h GLU 95 Cb 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3itn h GLU 95 CO 0.01 0.73 0.04 0.82 -1.00 0.00 0.00 179.01 179.60 3itn h ILE 96 N 0.40 1.19 -0.35 3.13 2.04 -0.98 -0.82 117.51 122.12 3itn h ILE 96 Ca 0.05 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 3itn h ILE 96 Cb 0.74 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3itn h ILE 96 CO 0.06 0.17 0.22 0.58 0.00 0.00 0.00 178.15 179.18 3itn h VAL 97 N 0.04 1.11 -0.46 1.67 2.07 -1.38 -1.34 116.25 117.96 3itn h VAL 97 Ca 0.04 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3itn h VAL 97 Cb 0.23 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3itn h VAL 97 CO -0.00 0.11 -0.02 -0.33 0.02 0.00 0.00 177.57 177.35 3itn h GLU 98 N 0.46 0.76 -0.04 1.57 4.39 -1.31 0.59 114.58 121.00 3itn h GLU 98 Ca 0.13 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3itn h GLU 98 Cb -0.01 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3itn h GLU 98 CO -0.02 0.78 0.02 1.25 -1.16 0.00 0.00 179.01 179.87 3itn h LEU 99 N 0.71 0.06 -0.67 1.33 5.85 -0.87 -0.21 115.31 121.51 3itn h LEU 99 Ca 0.14 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3itn h LEU 99 Cb 0.46 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3itn h LEU 99 CO 0.02 0.22 0.37 0.24 -0.34 0.00 0.00 178.44 178.95 3itn h MET 100 N -0.10 0.93 0.23 1.25 2.86 -1.02 -0.11 114.93 118.97 3itn h MET 100 Ca 0.01 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3itn h MET 100 Cb 0.18 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3itn h MET 100 CO -0.00 0.70 -0.14 -0.09 1.06 0.00 0.00 176.91 178.44 3itn h ARG 101 N 0.92 -0.35 -0.81 1.72 2.43 -0.74 -0.78 114.38 116.76 3itn h ARG 101 Ca 0.24 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3itn h ARG 101 Cb 0.04 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3itn h ARG 101 CO -0.04 -0.23 0.52 -0.44 -1.51 0.00 0.00 179.97 178.27 3itn h ASP 102 N -0.36 0.95 -0.75 -3.80 3.32 -0.79 -2.34 116.42 112.65 3itn h ASP 102 Ca -0.02 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3itn h ASP 102 Cb 0.30 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3itn h ASP 102 CO 0.02 0.71 0.32 0.58 -1.72 0.00 0.00 179.24 179.14 3itn h VAL 103 N 1.11 1.25 0.00 -1.35 2.07 -0.85 -2.15 116.25 116.33 3itn h VAL 103 Ca 0.29 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3itn h VAL 103 Cb -0.09 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3itn h VAL 103 CO -0.06 0.31 0.00 0.77 0.02 0.00 0.00 177.57 178.61 3itn h SER 104 N 1.07 0.00 -0.03 0.57 4.64 -0.67 -2.33 113.55 116.81 3itn h SER 104 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3itn h SER 104 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3itn h SER 104 CO -0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 3itn n LYS 105 N -3.02 1.83 -1.64 4.77 5.02 -0.82 -4.77 118.16 119.53 3itn n LYS 105 Ca -0.00 -1.21 -0.30 0.00 -2.02 0.00 0.00 58.31 54.77 3itn n LYS 105 Cb 0.24 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 33.86 3itn n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3itn s GLU 106 N -1.99 2.33 -0.46 1.97 2.02 -0.88 -4.99 118.70 116.70 3itn s GLU 106 Ca 0.35 0.61 -0.21 0.00 0.02 0.00 0.00 54.97 55.75 3itn s GLU 106 Cb 0.21 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.52 3itn s GLU 106 CO 0.32 -1.44 0.65 0.34 0.02 0.00 0.00 175.26 175.16 3itn s ASP 107 N -4.02 6.30 -0.08 -0.19 2.15 -1.26 -4.89 116.67 114.68 3itn s ASP 107 Ca 0.60 -0.46 0.20 0.00 0.43 0.00 0.00 52.55 53.32 3itn s ASP 107 Cb -0.13 -2.32 0.71 0.00 -0.30 0.00 0.00 42.92 40.88 3itn s ASP 107 CO 0.54 -0.82 1.61 1.41 -0.17 0.00 0.00 175.17 177.74 3itn n HIS 108 N 6.31 1.36 -0.34 -5.34 8.25 -1.26 -4.63 115.22 119.56 3itn n HIS 108 Ca -0.02 -0.58 0.19 0.00 -0.26 0.00 0.00 57.72 57.04 3itn n HIS 108 Cb 0.47 -0.18 0.41 0.00 1.12 0.00 0.00 29.99 31.81 3itn n HIS 108 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3itn h SER 109 N 4.20 0.64 -0.44 0.41 0.02 -1.91 0.46 113.55 116.92 3itn h SER 109 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3itn h SER 109 Cb 1.33 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3itn h SER 109 CO 0.17 0.07 0.00 0.29 -1.14 0.00 0.00 176.83 176.22 3itn n LYS 110 N -4.89 2.07 -4.44 3.45 5.02 -1.26 -4.90 118.16 113.21 3itn n LYS 110 Ca 0.28 -1.66 -0.34 0.00 -2.02 0.00 0.00 58.31 54.57 3itn n LYS 110 Cb 0.79 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 34.33 3itn n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3itn s ARG 111 N -1.41 2.83 0.15 1.97 0.52 0.15 -1.60 118.95 121.56 3itn s ARG 111 Ca 0.32 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 3itn s ARG 111 Cb 0.17 -2.68 -0.07 0.00 0.52 0.00 0.00 34.95 32.89 3itn s ARG 111 CO 0.22 0.67 1.33 0.77 0.02 0.00 0.00 175.30 178.31 3itn h SER 112 N 4.96 0.24 -1.82 0.23 0.02 -0.66 -3.47 113.55 113.05 3itn h SER 112 Ca -0.50 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.21 3itn h SER 112 Cb 1.18 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3itn h SER 112 CO 0.54 1.05 0.04 -1.54 -1.14 0.00 0.00 176.83 175.79 3itn n SER 113 N -3.60 -0.60 -3.78 3.07 3.41 -0.24 -4.32 113.62 107.55 3itn n SER 113 Ca -0.04 -1.51 -0.13 0.00 -0.26 0.00 0.00 58.87 56.93 3itn n SER 113 Cb 0.85 1.03 -0.13 0.00 -0.26 0.00 0.00 64.21 65.70 3itn n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3itn s PHE 114 N -6.13 -0.20 -0.02 7.33 5.36 -0.77 -4.02 117.98 119.54 3itn s PHE 114 Ca 0.06 0.51 0.03 0.00 -0.96 0.00 0.00 56.93 56.58 3itn s PHE 114 Cb -0.01 0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.68 3itn s PHE 114 CO 0.04 -0.14 -0.12 0.08 -1.46 0.00 0.00 175.22 173.63 3itn s VAL 115 N 0.61 0.95 -0.04 3.12 1.01 -0.62 -0.28 120.40 125.17 3itn s VAL 115 Ca -0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 3itn s VAL 115 Cb -0.06 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.54 3itn s VAL 115 CO -0.03 0.28 0.01 0.00 0.00 0.00 0.00 175.10 175.36 3itn s VAL 117 N 1.31 2.73 -0.17 0.00 1.01 0.15 -0.48 120.40 124.95 3itn s VAL 117 Ca -0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3itn s VAL 117 Cb -0.13 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3itn s VAL 117 CO -0.02 0.53 -0.15 -0.76 0.00 0.00 0.00 175.10 174.70 3itn s LEU 118 N 0.40 2.46 -0.25 3.92 1.43 0.22 -0.85 118.68 126.01 3itn s LEU 118 Ca -0.12 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3itn s LEU 118 Cb -0.16 -1.57 0.06 0.00 0.03 0.00 0.00 46.19 44.55 3itn s LEU 118 CO 0.06 0.05 -0.10 -0.76 0.23 0.00 0.00 176.35 175.83 3itn s LEU 119 N 1.00 3.25 0.00 1.79 1.43 -0.16 -0.76 118.68 125.24 3itn s LEU 119 Ca -0.02 -1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 51.60 3itn s LEU 119 Cb -0.15 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.65 3itn s LEU 119 CO -0.03 -0.20 0.65 -0.24 0.23 0.00 0.00 176.35 176.76 3itn n SER 120 N 4.48 -0.68 -4.88 2.29 2.88 -0.93 -1.46 113.62 115.32 3itn n SER 120 Ca -0.14 -1.19 -0.30 0.00 -1.33 0.00 0.00 58.87 55.91 3itn n SER 120 Cb 0.43 1.06 0.04 0.00 -0.75 0.00 0.00 64.21 64.98 3itn n SER 120 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3itn s HIS 121 N -2.77 3.40 0.04 0.66 3.76 -1.26 -4.13 115.29 114.99 3itn s HIS 121 Ca 0.15 1.09 -0.27 0.00 -0.15 0.00 0.00 55.06 55.88 3itn s HIS 121 Cb -0.01 -2.97 0.09 0.00 1.11 0.00 0.00 32.58 30.81 3itn s HIS 121 CO 0.00 -1.04 1.22 0.20 -0.85 0.00 0.00 174.74 174.27 3itn s GLY 122 N -4.31 -0.08 0.19 -2.22 0.00 -1.26 -1.26 107.32 98.38 3itn s GLY 122 Ca 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.26 3itn s GLY 122 CO 0.52 4.53 0.24 1.18 0.00 0.00 0.00 173.10 179.58 3itn n GLU 123 N -0.83 0.35 -1.69 2.90 1.02 -0.93 -4.15 120.64 117.32 3itn n GLU 123 Ca 0.01 -1.65 -0.50 0.00 -0.02 0.00 0.00 57.16 55.00 3itn n GLU 123 Cb 0.59 1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 33.48 3itn n GLU 123 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3itn n GLU 124 N -0.33 1.94 -1.02 3.49 4.07 -1.16 -0.77 120.64 126.86 3itn n GLU 124 Ca 0.01 0.71 -0.01 0.00 -0.06 0.00 0.00 57.16 57.82 3itn n GLU 124 Cb 0.33 -2.51 -0.00 0.00 -0.06 0.00 0.00 31.44 29.19 3itn n GLU 124 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3itn n GLY 125 N 4.26 0.29 3.06 8.31 0.00 -1.26 -4.99 105.19 114.85 3itn n GLY 125 Ca 0.23 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3itn n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3itn s ILE 126 N -1.51 0.99 0.02 -0.61 1.01 0.05 -1.26 121.20 119.89 3itn s ILE 126 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.23 3itn s ILE 126 Cb 0.00 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 3itn s ILE 126 CO 0.00 0.29 -0.22 -0.63 0.00 0.00 0.00 174.94 174.38 3itn s ILE 127 N -0.03 2.44 -0.18 2.92 1.09 -0.22 -2.34 121.20 124.88 3itn s ILE 127 Ca -0.00 -1.21 -0.13 0.00 -1.10 0.00 0.00 60.65 58.21 3itn s ILE 127 Cb -0.08 -1.96 -0.05 0.00 -1.06 0.00 0.00 42.46 39.32 3itn s ILE 127 CO 0.00 0.42 0.27 -0.36 -0.10 0.00 0.00 174.94 175.17 3itn s PHE 128 N -0.80 3.42 0.73 3.97 0.40 -0.39 0.43 117.98 125.73 3itn s PHE 128 Ca 0.12 0.51 -0.07 0.00 -0.60 0.00 0.00 56.93 56.90 3itn s PHE 128 Cb -0.10 -2.33 0.08 0.00 0.51 0.00 0.00 43.02 41.18 3itn s PHE 128 CO 0.02 0.19 1.04 0.20 0.70 0.00 0.00 175.22 177.37 3itn s GLY 129 N 0.61 1.71 0.59 4.36 0.00 0.23 -4.60 107.32 110.23 3itn s GLY 129 Ca 0.14 -1.07 0.36 0.00 0.00 0.00 0.00 44.72 44.16 3itn s GLY 129 CO 0.04 -0.61 2.19 -0.91 0.00 0.00 0.00 173.10 173.81 3itn h THR 130 N -0.68 0.21 -0.09 0.90 1.35 -1.50 -2.92 112.91 110.19 3itn h THR 130 Ca -0.43 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3itn h THR 130 Cb 1.30 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3itn h THR 130 CO 0.55 0.03 0.00 -0.46 -0.25 0.00 0.00 175.52 175.40 3itn n ASN 131 N -3.31 1.99 0.00 5.36 6.94 -1.26 -1.14 115.26 123.83 3itn n ASN 131 Ca -0.02 -1.70 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 3itn n ASN 131 Cb 0.17 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3itn n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3itn n GLY 132 N 0.02 2.14 3.79 4.83 0.00 -1.10 -4.94 105.19 109.93 3itn n GLY 132 Ca 0.04 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3itn n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3itn s PRO 133 N -2.00 3.13 -0.04 1.61 0.04 -1.26 0.75 135.00 137.24 3itn s PRO 133 Ca 0.00 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.36 3itn s PRO 133 Cb 0.00 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3itn s PRO 133 CO 0.00 -0.97 -0.04 0.08 0.04 0.00 0.00 177.00 176.11 3itn s VAL 134 N -2.35 0.45 0.09 -0.36 1.01 0.17 -4.78 120.40 114.62 3itn s VAL 134 Ca 0.66 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 3itn s VAL 134 Cb -0.18 -0.48 -0.08 0.00 0.00 0.00 0.00 36.38 35.65 3itn s VAL 134 CO 0.38 0.20 1.43 -1.81 0.00 0.00 0.00 175.10 175.29 3itn s ASP 135 N 0.81 6.79 0.31 3.32 1.01 -1.26 -1.05 116.67 126.60 3itn s ASP 135 Ca -0.10 2.32 0.01 0.00 0.71 0.00 0.00 52.55 55.48 3itn s ASP 135 Cb -0.13 -2.58 0.54 0.00 1.01 0.00 0.00 42.92 41.76 3itn s ASP 135 CO -0.00 -0.70 1.95 -0.07 0.21 0.00 0.00 175.17 176.55 3itn h LEU 136 N 7.31 0.87 -1.58 1.23 3.38 -1.53 -1.88 115.31 123.10 3itn h LEU 136 Ca -0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3itn h LEU 136 Cb 1.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3itn h LEU 136 CO 0.88 0.59 0.26 0.11 0.09 0.00 0.00 178.44 180.37 3itn h LYS 137 N 1.01 0.53 -0.54 1.13 1.79 -1.91 -0.89 116.57 117.69 3itn h LYS 137 Ca 0.34 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.68 3itn h LYS 137 Cb 0.07 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 3itn h LYS 137 CO -0.10 0.36 -0.00 0.87 -1.08 0.00 0.00 179.45 179.50 3itn h LYS 138 N 0.55 0.93 -0.08 3.15 1.57 -1.73 0.22 116.57 121.17 3itn h LYS 138 Ca 0.15 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3itn h LYS 138 Cb -0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3itn h LYS 138 CO -0.03 0.93 -0.09 0.82 -0.57 0.00 0.00 179.45 180.51 3itn h ILE 139 N 0.86 1.37 0.00 1.86 2.04 -1.24 -3.30 117.51 119.10 3itn h ILE 139 Ca 0.16 -1.25 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 3itn h ILE 139 Cb 0.51 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 3itn h ILE 139 CO 0.03 0.35 -0.52 0.71 0.00 0.00 0.00 178.15 178.72 3itn h THR 140 N -0.22 1.08 -0.04 -0.27 1.35 -1.14 -3.23 112.91 110.45 3itn h THR 140 Ca 0.01 -1.99 0.01 0.00 -0.55 0.00 0.00 66.41 63.89 3itn h THR 140 Cb 0.60 2.17 -0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3itn h THR 140 CO 0.02 0.51 0.03 0.78 -0.25 0.00 0.00 175.52 176.61 3itn h ASN 141 N 0.00 0.00 0.23 5.36 2.35 -1.02 -0.56 115.58 121.93 3itn h ASN 141 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3itn h ASN 141 Cb 1.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 3itn h ASN 141 CO 0.07 0.00 -0.07 -0.26 -1.65 0.00 0.00 177.43 175.52 3itn h PHE 142 N 0.00 0.00 -0.60 1.19 0.04 -1.69 -2.32 116.94 113.56 3itn h PHE 142 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3itn h PHE 142 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3itn h PHE 142 CO 0.00 0.07 0.00 1.19 -0.60 0.00 0.00 178.31 178.97 3itn n PHE 143 N -3.67 0.80 -1.45 -0.55 3.72 -0.22 -4.08 117.46 112.00 3itn n PHE 143 Ca -0.02 -0.40 -0.37 0.00 -0.05 0.00 0.00 57.45 56.61 3itn n PHE 143 Cb 0.17 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.77 3itn n PHE 143 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3itn n ARG 144 N 1.62 0.58 0.03 -1.08 1.74 -0.88 -4.59 116.66 114.08 3itn n ARG 144 Ca 0.23 0.24 0.20 0.00 -0.77 0.00 0.00 57.85 57.75 3itn n ARG 144 Cb 0.62 -1.97 0.72 0.00 -1.02 0.00 0.00 32.46 30.81 3itn n ARG 144 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3itn h GLY 145 N 0.07 0.00 0.27 -0.13 0.00 -1.72 -0.03 103.07 101.53 3itn h GLY 145 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3itn h GLY 145 CO 0.47 0.00 -0.59 2.09 0.00 0.00 0.00 176.54 178.51 3itn n ASP 146 N -4.15 0.97 -0.00 0.19 5.75 -1.26 -4.26 116.55 113.79 3itn n ASP 146 Ca 0.09 -0.78 0.06 0.00 -0.01 0.00 0.00 54.79 54.15 3itn n ASP 146 Cb 0.60 0.47 -0.08 0.00 -1.03 0.00 0.00 41.12 41.08 3itn n ASP 146 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3itn n ARG 147 N -1.11 2.09 -3.42 0.11 1.74 -0.11 -4.74 116.66 111.22 3itn n ARG 147 Ca 0.07 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.84 3itn n ARG 147 Cb 0.36 -1.18 -0.11 0.00 -1.02 0.00 0.00 32.46 30.51 3itn n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itn h ARG 149 N 6.31 0.00 0.00 0.00 2.47 -1.84 -1.40 114.38 119.92 3itn h ARG 149 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 3itn h ARG 149 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 3itn h ARG 149 CO 0.31 0.26 0.00 -1.13 0.56 0.00 0.00 179.97 179.97 3itn n SER 150 N -4.16 0.00 -0.24 7.04 3.41 -1.26 -2.37 113.62 116.04 3itn n SER 150 Ca -0.02 0.08 0.03 0.00 -0.26 0.00 0.00 58.87 58.71 3itn n SER 150 Cb 0.31 -0.34 0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3itn n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3itn n LEU 151 N -1.34 1.38 -4.71 1.04 4.77 -0.56 -4.10 117.00 113.49 3itn n LEU 151 Ca 0.10 -0.92 -0.43 0.00 -0.03 0.00 0.00 56.01 54.72 3itn n LEU 151 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3itn n LEU 151 CO 0.18 0.28 1.18 0.41 -1.33 0.00 0.00 177.39 178.12 3itn n THR 152 N 0.15 0.68 -0.98 -5.08 -1.04 -1.00 -1.12 114.28 105.89 3itn n THR 152 Ca 0.04 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3itn n THR 152 Cb 0.16 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3itn n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3itn n GLY 153 N 2.63 0.87 3.55 3.41 0.00 -1.26 -5.02 105.19 109.37 3itn n GLY 153 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3itn n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3itn s LYS 154 N -0.05 2.33 0.18 1.61 1.02 -0.27 -4.95 119.74 119.61 3itn s LYS 154 Ca 0.00 -0.86 -0.31 0.00 0.02 0.00 0.00 55.97 54.82 3itn s LYS 154 Cb 0.00 -2.37 -0.10 0.00 -0.52 0.00 0.00 37.83 34.84 3itn s LYS 154 CO 0.00 0.56 1.58 -1.25 -0.92 0.00 0.00 175.35 175.32 3itn s PRO 155 N -1.58 4.20 -0.27 -1.68 0.04 -1.26 -4.84 135.00 129.61 3itn s PRO 155 Ca 0.17 2.40 0.01 0.00 0.04 0.00 0.00 61.00 63.62 3itn s PRO 155 Cb -0.11 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.35 3itn s PRO 155 CO 0.08 -0.61 -0.08 0.15 0.04 0.00 0.00 177.00 176.58 3itn s LYS 156 N 0.97 2.34 -0.23 4.56 1.02 0.03 -1.85 119.74 126.57 3itn s LYS 156 Ca 0.70 -1.30 -0.07 0.00 0.02 0.00 0.00 55.97 55.32 3itn s LYS 156 Cb -0.45 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 3itn s LYS 156 CO 0.33 -0.57 0.06 -0.51 -0.92 0.00 0.00 175.35 173.73 3itn s LEU 157 N 1.16 3.48 -0.20 3.17 1.43 0.62 -0.94 118.68 127.40 3itn s LEU 157 Ca -0.07 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3itn s LEU 157 Cb -0.20 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3itn s LEU 157 CO -0.04 0.02 -0.11 -0.36 0.23 0.00 0.00 176.35 176.09 3itn s PHE 158 N 1.29 2.89 -0.25 0.29 0.40 0.62 -0.75 117.98 122.48 3itn s PHE 158 Ca 0.05 -1.31 -0.06 0.00 -0.60 0.00 0.00 56.93 55.00 3itn s PHE 158 Cb -0.15 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 3itn s PHE 158 CO 0.03 -0.68 0.03 0.42 0.70 0.00 0.00 175.22 175.72 3itn s ILE 159 N 1.38 3.93 -0.24 0.64 1.01 0.36 -0.54 121.20 127.75 3itn s ILE 159 Ca 0.05 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3itn s ILE 159 Cb -0.14 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.53 3itn s ILE 159 CO -0.08 0.32 -0.09 -0.63 0.00 0.00 0.00 174.94 174.47 3itn s ILE 160 N 1.55 1.84 -0.49 2.92 1.01 -0.53 -0.61 121.20 126.89 3itn s ILE 160 Ca 0.06 -1.36 -0.12 0.00 0.00 0.00 0.00 60.65 59.23 3itn s ILE 160 Cb -0.15 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.45 3itn s ILE 160 CO 0.01 -0.01 0.40 -1.58 0.00 0.00 0.00 174.94 173.76 3itn s GLN 161 N 1.27 2.69 -0.20 2.79 2.00 0.06 -1.57 119.66 126.71 3itn s GLN 161 Ca -0.06 -1.71 -0.34 0.00 -2.00 0.00 0.00 55.36 51.25 3itn s GLN 161 Cb -0.19 -4.06 0.14 0.00 0.80 0.00 0.00 33.01 29.70 3itn s GLN 161 CO -0.06 -1.22 1.21 0.00 -0.50 0.00 0.00 175.29 174.71 3itn s ALA 162 N 1.47 -2.06 0.65 1.58 0.00 -1.26 -2.19 121.76 119.94 3itn s ALA 162 Ca 0.04 1.63 -0.15 0.00 0.00 0.00 0.00 51.96 53.48 3itn s ALA 162 Cb -0.27 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 3itn s ALA 162 CO 0.01 -0.53 1.11 0.00 0.00 0.00 0.00 175.76 176.35 3itn n ARG 164 N -2.36 0.97 -2.62 0.00 1.74 -0.17 -2.19 116.66 112.03 3itn n ARG 164 Ca 0.10 -2.20 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 3itn n ARG 164 Cb 0.52 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3itn n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itn n GLY 165 N -1.09 -0.17 0.00 -0.13 0.00 -1.16 -1.64 105.19 101.00 3itn n GLY 165 Ca 0.12 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3itn n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3itn n THR 166 N 9.00 0.90 -2.41 2.61 -2.24 -1.11 -3.51 114.28 117.52 3itn n THR 166 Ca 0.00 -0.93 -0.36 0.00 -2.27 0.00 0.00 64.05 60.48 3itn n THR 166 Cb 0.00 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 3itn n THR 166 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3itn s GLU 167 N -0.90 3.85 -0.04 -0.78 2.02 -0.72 -4.68 118.70 117.45 3itn s GLU 167 Ca 0.00 1.59 0.06 0.00 0.02 0.00 0.00 54.97 56.64 3itn s GLU 167 Cb 0.00 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 3itn s GLU 167 CO 0.00 -0.43 -0.23 -0.51 0.02 0.00 0.00 175.26 174.11 3itn s LEU 168 N -3.08 2.21 -0.40 1.80 1.43 -1.26 -1.28 118.68 118.09 3itn s LEU 168 Ca 0.64 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 3itn s LEU 168 Cb -0.23 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3itn s LEU 168 CO 0.29 0.30 0.39 -0.62 0.23 0.00 0.00 176.35 176.94 3itn s ASP 169 N -0.50 6.17 0.53 2.29 -1.08 -1.26 -4.93 116.67 117.89 3itn s ASP 169 Ca 0.06 -0.62 0.31 0.00 -0.52 0.00 0.00 52.55 51.79 3itn s ASP 169 Cb -0.11 -2.21 1.32 0.00 -1.46 0.00 0.00 42.92 40.46 3itn s ASP 169 CO 0.01 -0.50 1.97 0.00 0.52 0.00 0.00 175.17 177.17 3itn n GLY 171 N -0.07 -1.64 3.27 0.00 0.00 -1.26 -4.71 105.19 100.79 3itn n GLY 171 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 3itn n GLY 171 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3itn s ILE 172 N -1.72 -0.01 0.20 -0.61 1.10 -1.26 -5.09 121.20 113.82 3itn s ILE 172 Ca 0.00 0.03 -0.31 0.00 -0.51 0.00 0.00 60.65 59.86 3itn s ILE 172 Cb 0.00 -0.56 -0.10 0.00 0.15 0.00 0.00 42.46 41.95 3itn s ILE 172 CO 0.00 0.01 1.45 -1.83 -2.11 0.00 0.00 174.94 172.46 3itn s GLU 173 N 0.55 4.28 0.87 3.50 -1.05 -1.26 -5.23 118.70 120.35 3itn s GLU 173 Ca -0.03 2.25 -0.12 0.00 -0.15 0.00 0.00 54.97 56.92 3itn s GLU 173 Cb -0.04 -3.15 0.11 0.00 -0.44 0.00 0.00 34.13 30.61 3itn s GLU 173 CO -0.03 -0.45 1.14 -0.08 0.95 0.00 0.00 175.26 176.79 3itn s THR 174 N 0.45 2.16 -0.53 1.83 -1.32 -1.26 -5.35 115.64 111.62 3itn s THR 174 Ca 0.62 0.05 -0.27 0.00 -1.21 0.00 0.00 61.69 60.88 3itn s THR 174 Cb -0.41 -2.88 -0.00 0.00 -1.51 0.00 0.00 72.50 67.70 3itn s THR 174 CO 0.38 -0.07 1.64 -2.28 -2.21 0.00 0.00 174.62 172.08 3itn s HIS 185 N -3.35 1.98 0.02 9.09 5.65 -1.26 -5.37 115.29 122.05 3itn s HIS 185 Ca 0.63 0.60 -0.02 0.00 0.25 0.00 0.00 55.06 56.52 3itn s HIS 185 Cb -0.14 -4.24 -0.02 0.00 -1.18 0.00 0.00 32.58 27.01 3itn s HIS 185 CO 0.52 -2.29 0.02 0.15 -0.65 0.00 0.00 174.74 172.49 3itn s LYS 186 N 6.04 0.38 0.20 2.88 1.02 -1.26 -5.16 119.74 123.84 3itn s LYS 186 Ca 0.63 -0.60 0.09 0.00 0.02 0.00 0.00 55.97 56.11 3itn s LYS 186 Cb -0.14 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 3itn s LYS 186 CO 0.25 -0.07 -0.17 0.96 -0.92 0.00 0.00 175.35 175.40 3itn s ILE 187 N -1.63 1.85 0.43 2.17 -4.36 -1.26 -5.12 121.20 113.28 3itn s ILE 187 Ca -0.14 -2.11 -0.25 0.00 -0.26 0.00 0.00 60.65 57.89 3itn s ILE 187 Cb -0.08 -1.99 -0.08 0.00 1.25 0.00 0.00 42.46 41.56 3itn s ILE 187 CO -0.01 -0.46 1.25 -2.84 0.24 0.00 0.00 174.94 173.12 3itn s PRO 188 N -3.28 3.85 0.27 0.37 0.02 -1.26 -4.91 135.00 130.06 3itn s PRO 188 Ca 0.21 2.01 0.24 0.00 0.02 0.00 0.00 61.00 63.48 3itn s PRO 188 Cb -0.03 -2.61 0.98 0.00 0.02 0.00 0.00 34.50 32.85 3itn s PRO 188 CO 0.08 -0.54 1.74 -0.39 -0.33 0.00 0.00 177.00 177.55 3itn h VAL 189 N 2.20 0.00 -0.02 3.83 -1.51 -1.98 -2.44 116.25 116.33 3itn h VAL 189 Ca -0.49 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3itn h VAL 189 Cb 1.25 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 3itn h VAL 189 CO 0.61 0.00 -0.20 -0.62 -1.23 0.00 0.00 177.57 176.13 3itn n GLU 190 N -2.30 1.67 -1.74 5.19 -0.58 -1.26 -2.13 120.64 119.49 3itn n GLU 190 Ca 0.02 -1.31 -0.32 0.00 -0.42 0.00 0.00 57.16 55.14 3itn n GLU 190 Cb 0.26 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 29.70 3itn n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3itn s ALA 191 N -2.23 2.66 -0.96 0.62 0.00 -0.92 -4.03 121.76 116.90 3itn s ALA 191 Ca 0.25 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3itn s ALA 191 Cb 0.19 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3itn s ALA 191 CO 0.43 -1.10 0.00 -0.25 0.00 0.00 0.00 175.76 174.83 3itn n ASP 192 N -2.69 -3.65 -4.59 0.00 8.00 -0.35 -4.81 116.55 108.47 3itn n ASP 192 Ca 0.08 -0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.28 3itn n ASP 192 Cb 0.53 -2.86 -0.10 0.00 -0.02 0.00 0.00 41.12 38.67 3itn n ASP 192 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3itn s PHE 193 N -2.55 2.80 -0.04 1.24 0.40 -1.25 -0.79 117.98 117.79 3itn s PHE 193 Ca 0.00 -0.12 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 3itn s PHE 193 Cb 0.00 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.07 3itn s PHE 193 CO 0.00 0.41 0.06 -1.17 0.70 0.00 0.00 175.22 175.21 3itn s LEU 194 N -1.97 0.22 -0.35 -0.37 1.98 -0.11 -1.08 118.68 116.99 3itn s LEU 194 Ca 0.20 0.07 -0.06 0.00 -2.89 0.00 0.00 54.13 51.46 3itn s LEU 194 Cb -0.11 -0.14 0.05 0.00 0.66 0.00 0.00 46.19 46.65 3itn s LEU 194 CO 0.12 -0.24 0.13 -0.31 -1.89 0.00 0.00 176.35 174.16 3itn s TYR 195 N 2.08 3.29 -0.72 5.38 2.02 0.37 -0.27 117.35 129.51 3itn s TYR 195 Ca 0.04 -1.54 -0.15 0.00 -0.37 0.00 0.00 57.07 55.05 3itn s TYR 195 Cb -0.12 -2.45 0.18 0.00 -0.40 0.00 0.00 41.96 39.17 3itn s TYR 195 CO -0.03 -0.77 0.69 0.00 -1.57 0.00 0.00 175.55 173.87 3itn s ALA 196 N 1.38 3.87 0.12 3.71 0.00 0.30 -0.85 121.76 130.30 3itn s ALA 196 Ca -0.00 -2.97 -0.24 0.00 0.00 0.00 0.00 51.96 48.74 3itn s ALA 196 Cb -0.20 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 3itn s ALA 196 CO 0.02 -2.23 0.74 0.71 0.00 0.00 0.00 175.76 175.00 3itn s TYR 197 N 0.90 3.86 0.26 0.00 2.02 -0.34 -1.45 117.35 122.60 3itn s TYR 197 Ca 0.13 1.54 0.34 0.00 -0.37 0.00 0.00 57.07 58.71 3itn s TYR 197 Cb -0.17 -2.73 1.53 0.00 -0.40 0.00 0.00 41.96 40.18 3itn s TYR 197 CO -0.04 0.48 2.05 0.66 -1.57 0.00 0.00 175.55 177.13 3itn h SER 198 N 4.65 0.00 -5.35 2.29 4.64 -1.57 -0.46 113.55 117.75 3itn h SER 198 Ca -0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.72 3itn h SER 198 Cb 1.21 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.17 3itn h SER 198 CO 0.67 0.05 -0.41 0.28 -0.87 0.00 0.00 176.83 176.55 3itn s THR 199 N -3.83 0.05 0.56 2.95 -1.32 -1.26 -3.67 115.64 109.12 3itn s THR 199 Ca -0.01 -1.60 -0.19 0.00 -1.21 0.00 0.00 61.69 58.69 3itn s THR 199 Cb 0.10 -2.04 -0.05 0.00 -1.51 0.00 0.00 72.50 69.00 3itn s THR 199 CO 0.54 -0.24 1.12 0.00 -2.21 0.00 0.00 174.62 173.82 3itn s ALA 200 N -4.02 2.67 0.15 11.08 0.00 -0.62 -3.93 121.76 127.08 3itn s ALA 200 Ca 0.23 0.74 -0.34 0.00 0.00 0.00 0.00 51.96 52.59 3itn s ALA 200 Cb 0.04 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.67 3itn s ALA 200 CO 0.04 -0.83 1.41 -2.30 0.00 0.00 0.00 175.76 174.08 3itn n PRO 201 N -1.50 1.63 -0.52 0.00 -0.02 -1.26 -1.56 135.00 131.76 3itn n PRO 201 Ca 0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3itn n PRO 201 Cb 0.51 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3itn n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itn n GLY 202 N 2.72 1.36 3.84 -1.23 0.00 -0.65 -5.00 105.19 106.22 3itn n GLY 202 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3itn n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3itn s TYR 203 N -3.30 3.21 0.75 1.61 1.51 -0.60 -1.75 117.35 118.77 3itn s TYR 203 Ca 0.00 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 3itn s TYR 203 Cb 0.00 -1.51 0.04 0.00 -0.11 0.00 0.00 41.96 40.39 3itn s TYR 203 CO 0.00 0.51 1.09 0.71 -1.11 0.00 0.00 175.55 176.75 3itn s TYR 204 N -1.87 2.64 -0.05 2.71 2.02 -0.41 -0.99 117.35 121.40 3itn s TYR 204 Ca 0.32 1.54 0.05 0.00 -0.37 0.00 0.00 57.07 58.62 3itn s TYR 204 Cb -0.10 -3.04 -0.01 0.00 -0.40 0.00 0.00 41.96 38.41 3itn s TYR 204 CO 0.25 -1.72 -0.22 0.45 -1.57 0.00 0.00 175.55 172.73 3itn s SER 205 N -3.33 2.75 0.01 2.29 0.15 -1.26 -4.82 113.70 109.48 3itn s SER 205 Ca 0.62 -0.46 -0.16 0.00 0.70 0.00 0.00 55.95 56.65 3itn s SER 205 Cb -0.17 -0.77 -0.06 0.00 -1.71 0.00 0.00 66.02 63.31 3itn s SER 205 CO 0.54 0.21 0.45 0.26 1.20 0.00 0.00 173.24 175.90 3itn s TRP 206 N -0.08 3.73 -0.04 3.44 0.52 -1.26 -4.79 118.94 120.47 3itn s TRP 206 Ca -0.04 1.05 0.01 0.00 0.02 0.00 0.00 56.10 57.14 3itn s TRP 206 Cb -0.13 -2.36 0.02 0.00 -1.15 0.00 0.00 33.47 29.85 3itn s TRP 206 CO 0.03 0.59 -0.04 0.50 0.02 0.00 0.00 176.95 178.05 3itn s ARG 207 N -0.92 0.67 -0.22 4.98 3.52 -1.26 -2.83 118.95 122.89 3itn s ARG 207 Ca 0.25 -0.07 -0.13 0.00 -0.13 0.00 0.00 55.73 55.65 3itn s ARG 207 Cb -0.17 -0.71 -0.05 0.00 -1.56 0.00 0.00 34.95 32.46 3itn s ARG 207 CO 0.14 -0.07 0.25 1.21 -0.81 0.00 0.00 175.30 176.02 3itn s ASN 208 N 0.83 6.26 0.28 -2.12 3.84 -0.67 -4.90 114.94 118.45 3itn s ASN 208 Ca -0.10 0.29 0.20 0.00 0.21 0.00 0.00 52.86 53.45 3itn s ASN 208 Cb -0.13 -2.15 1.02 0.00 -0.55 0.00 0.00 41.25 39.44 3itn s ASN 208 CO -0.00 0.03 1.60 -1.54 -2.79 0.00 0.00 177.10 174.40 3itn n SER 209 N 4.23 0.52 -0.09 -4.21 3.41 -1.26 -0.64 113.62 115.58 3itn n SER 209 Ca -0.13 0.72 -0.16 0.00 -0.26 0.00 0.00 58.87 59.05 3itn n SER 209 Cb 0.52 -0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 3itn n SER 209 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3itn n LYS 210 N -2.17 0.39 0.01 4.33 4.81 -1.26 -3.39 118.16 120.88 3itn n LYS 210 Ca -0.01 0.13 0.11 0.00 -0.87 0.00 0.00 58.31 57.68 3itn n LYS 210 Cb 0.06 -1.21 -0.01 0.00 0.02 0.00 0.00 35.03 33.89 3itn n LYS 210 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3itn n ASP 211 N -3.44 0.72 0.00 3.14 8.00 -1.21 -4.98 116.55 118.77 3itn n ASP 211 Ca -0.32 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3itn n ASP 211 Cb 0.77 0.88 0.00 0.00 -0.02 0.00 0.00 41.12 42.75 3itn n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3itn n GLY 212 N 1.45 -4.34 3.77 0.44 0.00 0.19 -4.84 105.19 101.85 3itn n GLY 212 Ca 0.03 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 3itn n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3itn s SER 213 N -0.11 6.10 0.13 1.61 1.04 -1.26 -1.68 113.70 119.53 3itn s SER 213 Ca 0.00 2.38 -0.21 0.00 0.48 0.00 0.00 55.95 58.60 3itn s SER 213 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 3itn s SER 213 CO 0.00 -0.97 1.70 -0.50 0.98 0.00 0.00 173.24 174.45 3itn h TRP 214 N 2.06 -0.17 0.24 5.02 6.55 -1.90 -1.03 115.95 126.72 3itn h TRP 214 Ca -0.49 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.35 3itn h TRP 214 Cb 1.25 0.10 0.00 0.00 -0.86 0.00 0.00 29.16 29.66 3itn h TRP 214 CO 0.53 -0.12 -0.12 0.35 -1.05 0.00 0.00 178.44 178.03 3itn h PHE 215 N -0.05 -0.30 -0.71 0.49 3.57 -1.88 -2.05 116.94 116.01 3itn h PHE 215 Ca 0.09 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3itn h PHE 215 Cb 0.19 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3itn h PHE 215 CO -0.23 -0.14 0.21 0.82 -2.23 0.00 0.00 178.31 176.74 3itn h ILE 216 N -0.38 1.26 -0.26 1.41 1.08 -1.93 0.72 117.51 119.41 3itn h ILE 216 Ca -0.03 -0.90 0.03 0.00 -0.39 0.00 0.00 64.86 63.57 3itn h ILE 216 Cb 0.29 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3itn h ILE 216 CO 0.05 0.35 0.07 1.56 -0.69 0.00 0.00 178.15 179.49 3itn h GLN 217 N 1.05 0.17 -0.44 2.37 4.20 -1.13 -1.46 115.11 119.87 3itn h GLN 217 Ca 0.23 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.83 3itn h GLN 217 Cb 0.31 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3itn h GLN 217 CO -0.01 0.11 -0.09 0.77 -0.67 0.00 0.00 178.83 178.94 3itn h SER 218 N 0.17 0.84 -0.01 1.46 0.02 -1.10 -2.47 113.55 112.46 3itn h SER 218 Ca 0.12 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3itn h SER 218 Cb 0.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3itn h SER 218 CO -0.14 1.00 -0.03 0.25 -1.14 0.00 0.00 176.83 176.77 3itn h LEU 219 N 0.67 -0.10 -0.71 5.07 5.85 -0.65 -0.53 115.31 124.91 3itn h LEU 219 Ca 0.11 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3itn h LEU 219 Cb 0.63 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3itn h LEU 219 CO 0.04 -0.05 0.35 0.00 -0.34 0.00 0.00 178.44 178.44 3itn h ALA 221 N 1.17 0.35 -0.18 0.00 0.00 -1.18 -0.53 119.26 118.89 3itn h ALA 221 Ca 0.24 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3itn h ALA 221 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3itn h ALA 221 CO -0.03 -0.15 -0.29 0.52 0.00 0.00 0.00 179.25 179.29 3itn h MET 222 N 0.36 0.35 -0.33 0.00 2.07 -0.86 -2.26 114.93 114.26 3itn h MET 222 Ca 0.10 -0.13 -0.12 0.00 -2.07 0.00 0.00 59.70 57.48 3itn h MET 222 Cb -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.70 3itn h MET 222 CO -0.02 0.61 -0.24 -0.07 1.07 0.00 0.00 176.91 178.26 3itn h LEU 223 N 0.30 0.79 -1.29 1.22 3.38 -0.73 -0.05 115.31 118.93 3itn h LEU 223 Ca 0.04 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3itn h LEU 223 Cb 0.68 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3itn h LEU 223 CO 0.05 1.06 0.30 0.50 0.09 0.00 0.00 178.44 180.45 3itn h LYS 224 N 0.53 0.79 0.01 1.13 3.64 -0.91 -1.45 116.57 120.30 3itn h LYS 224 Ca 0.06 -0.08 -0.28 0.00 -1.27 0.00 0.00 60.65 59.08 3itn h LYS 224 Cb 0.80 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3itn h LYS 224 CO 0.06 0.59 -1.60 0.37 -2.27 0.00 0.00 179.45 176.60 3itn h GLN 225 N 0.80 0.02 0.00 1.90 4.15 -1.29 -3.42 115.11 117.27 3itn h GLN 225 Ca 0.20 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3itn h GLN 225 Cb 0.04 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3itn h GLN 225 CO -0.03 0.63 0.00 0.66 -1.93 0.00 0.00 178.83 178.15 3itn n TYR 226 N -3.13 0.00 0.26 3.99 4.01 -0.04 -4.73 117.16 117.52 3itn n TYR 226 Ca -0.15 -0.12 0.17 0.00 -0.16 0.00 0.00 57.90 57.64 3itn n TYR 226 Cb 1.03 -0.01 0.90 0.00 -0.31 0.00 0.00 39.34 40.96 3itn n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3itn h ALA 227 N 0.00 1.59 -0.05 -0.72 0.00 -1.41 0.90 119.26 119.58 3itn h ALA 227 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3itn h ALA 227 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3itn h ALA 227 CO 0.00 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 178.71 3itn n ASP 228 N -3.72 2.52 0.00 0.00 5.75 -1.26 -4.18 116.55 115.66 3itn n ASP 228 Ca -0.01 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3itn n ASP 228 Cb 0.20 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3itn n ASP 228 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3itn n LYS 229 N 0.96 0.00 -4.38 0.11 5.02 -0.04 -4.98 118.16 114.85 3itn n LYS 229 Ca 0.16 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.19 3itn n LYS 229 Cb 0.52 -0.72 -0.10 0.00 -0.02 0.00 0.00 35.03 34.70 3itn n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3itn s LEU 230 N -4.52 2.68 0.50 -0.35 1.43 0.11 -5.12 118.68 113.40 3itn s LEU 230 Ca 0.00 -0.79 -0.21 0.00 -1.03 0.00 0.00 54.13 52.10 3itn s LEU 230 Cb 0.00 -1.34 -0.07 0.00 0.03 0.00 0.00 46.19 44.80 3itn s LEU 230 CO 0.00 0.09 1.09 -0.70 0.23 0.00 0.00 176.35 177.06 3itn s GLU 231 N -2.94 3.64 0.30 1.70 -6.30 -1.26 -4.74 118.70 109.10 3itn s GLU 231 Ca 0.24 1.53 0.05 0.00 -2.50 0.00 0.00 54.97 54.29 3itn s GLU 231 Cb -0.08 -2.13 0.71 0.00 0.00 0.00 0.00 34.13 32.64 3itn s GLU 231 CO 0.13 -0.59 1.77 0.35 0.02 0.00 0.00 175.26 176.93 3itn h PHE 232 N 1.55 1.00 -0.41 5.30 3.57 -1.32 -1.01 116.94 125.62 3itn h PHE 232 Ca -0.50 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 3itn h PHE 232 Cb 1.24 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 3itn h PHE 232 CO 0.54 0.20 -0.01 0.52 -2.23 0.00 0.00 178.31 177.34 3itn h MET 233 N 0.71 0.66 -0.09 1.11 2.86 -1.92 -0.62 114.93 117.64 3itn h MET 233 Ca 0.56 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.90 3itn h MET 233 Cb 0.89 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3itn h MET 233 CO -0.39 0.68 -0.57 0.45 1.06 0.00 0.00 176.91 178.14 3itn h HIS 234 N 0.62 0.36 -0.36 -0.22 3.86 -1.59 -1.19 115.15 116.63 3itn h HIS 234 Ca 0.13 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3itn h HIS 234 Cb 0.40 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 3itn h HIS 234 CO 0.02 0.79 -0.05 0.82 0.86 0.00 0.00 177.93 180.36 3itn h ILE 235 N 0.22 1.27 -0.15 2.45 2.04 -0.90 -2.19 117.51 120.25 3itn h ILE 235 Ca -0.00 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.71 3itn h ILE 235 Cb 1.06 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3itn h ILE 235 CO 0.09 0.36 -0.16 -0.07 0.00 0.00 0.00 178.15 178.37 3itn h LEU 236 N 0.48 0.24 -0.68 1.44 3.38 -0.93 -1.32 115.31 117.91 3itn h LEU 236 Ca 0.10 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3itn h LEU 236 Cb 0.55 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3itn h LEU 236 CO 0.03 0.42 -0.13 0.74 0.09 0.00 0.00 178.44 179.59 3itn h THR 237 N 0.23 1.26 -0.34 0.22 2.02 -1.01 -0.09 112.91 115.21 3itn h THR 237 Ca 0.05 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 65.94 3itn h THR 237 Cb 0.43 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3itn h THR 237 CO 0.03 0.43 0.02 0.03 0.37 0.00 0.00 175.52 176.39 3itn h ARG 238 N 0.79 0.51 -0.47 6.66 2.47 -0.71 -1.67 114.38 121.97 3itn h ARG 238 Ca 0.12 -0.10 -0.10 0.00 -1.26 0.00 0.00 59.98 58.65 3itn h ARG 238 Cb 0.65 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 3itn h ARG 238 CO 0.05 0.52 -0.08 0.28 0.56 0.00 0.00 179.97 181.30 3itn h VAL 239 N 0.49 1.27 -0.42 2.04 2.07 -0.49 -1.22 116.25 119.99 3itn h VAL 239 Ca 0.11 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3itn h VAL 239 Cb 0.29 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3itn h VAL 239 CO 0.01 0.41 0.22 0.78 0.02 0.00 0.00 177.57 179.00 3itn h ASN 240 N 0.73 0.32 -0.60 0.57 2.35 -0.51 -1.26 115.58 117.17 3itn h ASN 240 Ca 0.12 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3itn h ASN 240 Cb 0.62 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 3itn h ASN 240 CO 0.04 0.23 0.12 -0.09 -1.65 0.00 0.00 177.43 176.08 3itn h ARG 241 N 0.44 1.01 -0.18 0.81 2.43 -1.13 -0.61 114.38 117.15 3itn h ARG 241 Ca 0.18 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3itn h ARG 241 Cb 0.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3itn h ARG 241 CO -0.12 0.92 0.04 -0.22 -1.51 0.00 0.00 179.97 179.07 3itn h LYS 242 N 0.96 0.29 -0.39 0.20 3.64 -0.77 -1.50 116.57 119.00 3itn h LYS 242 Ca 0.20 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3itn h LYS 242 Cb 0.38 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3itn h LYS 242 CO 0.01 0.44 0.06 0.28 -2.27 0.00 0.00 179.45 177.97 3itn h VAL 243 N 0.09 1.24 -0.47 2.00 2.07 -1.14 -1.06 116.25 118.98 3itn h VAL 243 Ca 0.05 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 3itn h VAL 243 Cb 0.29 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3itn h VAL 243 CO 0.00 0.29 0.05 0.00 0.02 0.00 0.00 177.57 177.94 3itn h ALA 244 N 0.92 1.20 0.00 1.67 0.00 -1.06 -3.21 119.26 118.77 3itn h ALA 244 Ca 0.12 -0.23 -0.38 0.00 0.00 0.00 0.00 54.91 54.42 3itn h ALA 244 Cb 0.37 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3itn h ALA 244 CO 0.01 0.54 -2.41 0.25 0.00 0.00 0.00 179.25 177.63 3itn n THR 245 N -4.25 1.43 1.16 0.00 -2.24 -0.57 -4.61 114.28 105.19 3itn n THR 245 Ca 0.03 -0.77 0.13 0.00 -2.27 0.00 0.00 64.05 61.16 3itn n THR 245 Cb 0.26 -0.77 0.32 0.00 -2.10 0.00 0.00 70.33 68.04 3itn n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3itn n GLU 246 N -2.91 0.60 -4.93 -0.78 1.02 -0.40 -4.92 120.64 108.31 3itn n GLU 246 Ca -0.37 -0.36 -0.28 0.00 -0.02 0.00 0.00 57.16 56.13 3itn n GLU 246 Cb 1.11 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.88 3itn n GLU 246 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3itn s PHE 247 N -2.65 2.03 -0.24 -0.32 0.40 -1.21 -5.06 117.98 110.93 3itn s PHE 247 Ca 0.20 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.99 3itn s PHE 247 Cb 0.19 -1.26 0.07 0.00 0.51 0.00 0.00 43.02 42.53 3itn s PHE 247 CO 0.58 0.04 0.59 -2.00 0.70 0.00 0.00 175.22 175.13 3itn s GLU 248 N -0.90 0.61 0.60 0.44 2.12 -1.26 -4.72 118.70 115.59 3itn s GLU 248 Ca 0.09 1.02 -0.17 0.00 0.36 0.00 0.00 54.97 56.27 3itn s GLU 248 Cb -0.09 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 3itn s GLU 248 CO 0.01 -0.14 1.10 -1.54 -0.54 0.00 0.00 175.26 174.14 3itn s SER 249 N 1.33 5.55 -0.12 -1.70 1.04 -0.38 -4.87 113.70 114.54 3itn s SER 249 Ca -0.08 2.00 -0.00 0.00 0.48 0.00 0.00 55.95 58.34 3itn s SER 249 Cb -0.06 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.53 3itn s SER 249 CO -0.14 -1.33 -0.09 0.12 0.98 0.00 0.00 173.24 172.78 3itn s PHE 250 N -2.18 1.67 0.01 5.02 5.36 -1.26 -1.13 117.98 125.46 3itn s PHE 250 Ca 0.68 -0.87 -0.10 0.00 -0.96 0.00 0.00 56.93 55.68 3itn s PHE 250 Cb -0.20 -1.33 0.01 0.00 -0.34 0.00 0.00 43.02 41.16 3itn s PHE 250 CO 0.34 -0.56 0.19 0.45 -1.46 0.00 0.00 175.22 174.19 3itn s SER 251 N 1.65 -0.03 0.06 6.13 0.15 -1.26 -4.95 113.70 115.45 3itn s SER 251 Ca 0.05 -0.16 0.28 0.00 0.70 0.00 0.00 55.95 56.81 3itn s SER 251 Cb -0.13 0.25 1.08 0.00 -1.71 0.00 0.00 66.02 65.51 3itn s SER 251 CO -0.09 -0.42 1.86 0.49 1.20 0.00 0.00 173.24 176.28 3itn n PHE 252 N 1.27 0.26 -3.22 3.44 3.72 -1.26 -4.57 117.46 117.09 3itn n PHE 252 Ca -0.22 0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 3itn n PHE 252 Cb 0.56 -0.61 -0.08 0.00 -0.94 0.00 0.00 39.48 38.41 3itn n PHE 252 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3itn s ASP 253 N -3.43 6.28 0.45 4.37 -1.08 -1.26 -4.95 116.67 117.06 3itn s ASP 253 Ca 0.13 -0.32 0.21 0.00 -0.52 0.00 0.00 52.55 52.05 3itn s ASP 253 Cb 0.17 -2.27 1.19 0.00 -1.46 0.00 0.00 42.92 40.55 3itn s ASP 253 CO 0.56 -0.61 1.87 0.00 0.52 0.00 0.00 175.17 177.51 3itn h ALA 254 N 8.68 2.36 -0.28 3.66 0.00 -1.95 -0.61 119.26 131.11 3itn h ALA 254 Ca -0.27 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3itn h ALA 254 Cb 1.11 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3itn h ALA 254 CO 0.82 -0.63 0.05 1.15 0.00 0.00 0.00 179.25 180.64 3itn h THR 255 N 0.29 1.15 -0.24 0.00 2.02 -1.95 -3.02 112.91 111.17 3itn h THR 255 Ca 0.44 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3itn h THR 255 Cb 1.27 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3itn h THR 255 CO -0.13 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.44 3itn n PHE 256 N -4.36 0.30 -3.16 3.16 3.72 -0.32 -5.01 117.46 111.80 3itn n PHE 256 Ca 0.01 -0.25 -0.36 0.00 -0.05 0.00 0.00 57.45 56.80 3itn n PHE 256 Cb 0.18 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3itn n PHE 256 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3itn s HIS 257 N -1.11 3.62 -1.43 1.38 2.46 -0.72 -4.32 115.29 115.17 3itn s HIS 257 Ca 0.24 1.30 -0.09 0.00 0.47 0.00 0.00 55.06 56.98 3itn s HIS 257 Cb 0.14 -2.56 0.03 0.00 -0.13 0.00 0.00 32.58 30.06 3itn s HIS 257 CO 0.19 0.33 1.02 0.00 -2.47 0.00 0.00 174.74 173.82 3itn n ALA 258 N 0.65 -1.23 -2.75 1.58 0.00 -0.28 -4.95 120.51 113.52 3itn n ALA 258 Ca -0.02 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.46 3itn n ALA 258 Cb 0.51 -4.94 -0.04 0.00 0.00 0.00 0.00 19.45 14.99 3itn n ALA 258 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3itn s LYS 259 N -6.27 3.54 0.51 0.00 -0.14 -1.26 -4.76 119.74 111.37 3itn s LYS 259 Ca 0.55 -0.28 0.04 0.00 -1.36 0.00 0.00 55.97 54.92 3itn s LYS 259 Cb -0.25 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 3itn s LYS 259 CO 0.68 0.43 0.18 0.15 -0.76 0.00 0.00 175.35 176.03 3itn s LYS 260 N -3.10 2.22 -0.13 1.68 -0.14 0.96 -1.25 119.74 119.97 3itn s LYS 260 Ca 0.39 -2.18 -0.18 0.00 -1.36 0.00 0.00 55.97 52.64 3itn s LYS 260 Cb -0.11 -1.81 0.05 0.00 -1.68 0.00 0.00 37.83 34.27 3itn s LYS 260 CO 0.28 -0.43 0.47 -1.14 -0.76 0.00 0.00 175.35 173.78 3itn s GLN 261 N -4.04 0.64 -0.07 1.68 0.74 -1.26 -4.13 119.66 113.23 3itn s GLN 261 Ca 0.22 0.46 0.01 0.00 0.05 0.00 0.00 55.36 56.09 3itn s GLN 261 Cb 0.01 0.31 0.02 0.00 1.10 0.00 0.00 33.01 34.44 3itn s GLN 261 CO 0.13 -0.12 -0.06 -1.50 -0.55 0.00 0.00 175.29 173.19 3itn s ILE 262 N -0.22 0.72 1.03 -2.34 1.10 -1.26 -3.52 121.20 116.71 3itn s ILE 262 Ca -0.04 -0.18 -0.14 0.00 -0.51 0.00 0.00 60.65 59.78 3itn s ILE 262 Cb -0.03 -0.74 0.20 0.00 0.15 0.00 0.00 42.46 42.03 3itn s ILE 262 CO 0.02 0.29 1.12 -2.84 -2.11 0.00 0.00 174.94 171.42 3itn s PRO 263 N 1.22 0.18 -0.10 3.50 0.02 -1.24 -1.59 135.00 136.99 3itn s PRO 263 Ca -0.06 0.28 -0.02 0.00 0.02 0.00 0.00 61.00 61.22 3itn s PRO 263 Cb -0.14 -1.73 0.04 0.00 0.02 0.00 0.00 34.50 32.69 3itn s PRO 263 CO -0.02 -2.85 0.02 0.00 -0.33 0.00 0.00 177.00 173.82 3itn s ILE 265 N 1.98 5.06 -0.37 0.00 1.01 -1.26 -1.20 121.20 126.41 3itn s ILE 265 Ca 0.04 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.63 3itn s ILE 265 Cb -0.13 -3.84 0.10 0.00 0.01 0.00 0.00 42.46 38.60 3itn s ILE 265 CO -0.06 0.08 0.10 -0.70 0.00 0.00 0.00 174.94 174.36 3itn s GLU 266 N 2.30 1.62 -0.18 2.79 2.12 -0.03 -5.02 118.70 122.31 3itn s GLU 266 Ca 0.22 -1.92 -0.05 0.00 0.36 0.00 0.00 54.97 53.58 3itn s GLU 266 Cb -0.16 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3itn s GLU 266 CO 0.09 -0.98 -0.01 0.45 -0.54 0.00 0.00 175.26 174.27 3itn s SER 267 N 1.00 4.92 -0.14 -1.70 0.15 -1.26 -0.48 113.70 116.19 3itn s SER 267 Ca 0.11 -0.13 0.18 0.00 0.70 0.00 0.00 55.95 56.80 3itn s SER 267 Cb -0.20 -1.82 0.31 0.00 -1.71 0.00 0.00 66.02 62.60 3itn s SER 267 CO -0.07 0.12 1.17 0.23 1.20 0.00 0.00 173.24 175.89 3itn n MET 268 N 3.84 1.37 -2.00 5.44 2.81 -0.24 -5.03 117.12 123.30 3itn n MET 268 Ca -0.17 -2.69 -0.34 0.00 -1.81 0.00 0.00 57.70 52.69 3itn n MET 268 Cb 0.52 -1.53 0.02 0.00 -0.71 0.00 0.00 33.22 31.53 3itn n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3itn s LEU 269 N -2.93 3.56 0.00 4.03 1.43 -1.14 -1.21 118.68 122.43 3itn s LEU 269 Ca 0.33 2.07 0.08 0.00 -1.03 0.00 0.00 54.13 55.58 3itn s LEU 269 Cb 0.29 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 42.00 3itn s LEU 269 CO 0.02 -1.42 0.69 0.35 0.23 0.00 0.00 176.35 176.22 3itn n THR 270 N -1.89 0.00 -4.00 5.49 -2.24 -1.26 -4.83 114.28 105.54 3itn n THR 270 Ca 0.11 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 3itn n THR 270 Cb 0.52 1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.82 3itn n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3itn s LYS 271 N -0.76 1.25 0.38 -0.78 1.02 -1.26 -5.00 119.74 114.60 3itn s LYS 271 Ca 0.08 -1.25 -0.25 0.00 0.02 0.00 0.00 55.97 54.57 3itn s LYS 271 Cb 0.06 0.38 -0.09 0.00 -0.52 0.00 0.00 37.83 37.67 3itn s LYS 271 CO 0.12 -0.47 1.07 -1.21 -0.92 0.00 0.00 175.35 173.94 3itn s GLU 272 N -4.01 4.20 -0.23 1.68 2.02 0.13 -4.75 118.70 117.76 3itn s GLU 272 Ca 0.21 1.60 0.01 0.00 0.02 0.00 0.00 54.97 56.81 3itn s GLU 272 Cb 0.03 -2.64 0.04 0.00 0.10 0.00 0.00 34.13 31.65 3itn s GLU 272 CO 0.04 -0.13 -0.13 -1.17 0.02 0.00 0.00 175.26 173.89 3itn s LEU 273 N -2.47 2.88 -0.08 1.80 2.96 -1.26 -0.89 118.68 121.61 3itn s LEU 273 Ca 0.56 -0.99 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3itn s LEU 273 Cb -0.25 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3itn s LEU 273 CO 0.31 -0.10 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.73 3itn s TYR 274 N 1.22 2.60 -0.78 5.38 2.02 -1.26 -0.70 117.35 125.83 3itn s TYR 274 Ca -0.02 -0.65 0.26 0.00 -0.37 0.00 0.00 57.07 56.29 3itn s TYR 274 Cb -0.17 -1.68 0.93 0.00 -0.40 0.00 0.00 41.96 40.64 3itn s TYR 274 CO -0.08 -0.17 1.78 1.19 -1.57 0.00 0.00 175.55 176.70 3itn n PHE 275 N 3.07 0.63 -3.55 2.71 3.72 -1.26 -4.81 117.46 117.96 3itn n PHE 275 Ca -0.18 0.20 -0.20 0.00 -0.05 0.00 0.00 57.45 57.22 3itn n PHE 275 Cb 0.52 -0.82 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 3itn n PHE 275 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 3itn s TYR 276 N -3.10 2.80 0.26 1.38 -0.85 -1.26 -5.06 117.35 111.51 3itn s TYR 276 Ca 0.10 -0.41 -0.05 0.00 -0.52 0.00 0.00 57.07 56.19 3itn s TYR 276 Cb 0.13 -2.09 -0.02 0.00 0.38 0.00 0.00 41.96 40.37 3itn s TYR 276 CO 0.53 -0.07 0.35 -3.38 -1.52 0.00 0.00 175.55 171.45 3itn s HIS 277 N -2.39 0.90 0.00 -3.49 -3.43 -1.26 -4.91 115.29 100.70 3itn s HIS 277 Ca 0.47 -1.15 0.00 0.00 -0.80 0.00 0.00 55.06 53.58 3itn s HIS 277 Cb -0.05 -0.19 0.00 0.00 -1.43 0.00 0.00 32.58 30.91 3itn s HIS 277 CO 0.28 -0.90 0.00 0.00 -2.00 0.00 0.00 174.74 172.12