#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibc n TYR 58 N 0.00 0.07 -4.09 4.78 4.01 -1.26 -5.03 117.16 115.64 3ibc n TYR 58 Ca 0.00 -0.26 -0.11 0.00 -0.16 0.00 0.00 57.90 57.38 3ibc n TYR 58 Cb 0.00 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 38.90 3ibc n TYR 58 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3ibc s GLN 59 N -0.64 0.60 0.23 -0.72 -0.21 -1.26 -5.12 119.66 112.54 3ibc s GLN 59 Ca 0.05 -0.99 -0.30 0.00 0.02 0.00 0.00 55.36 54.14 3ibc s GLN 59 Cb 0.03 -0.12 -0.09 0.00 1.00 0.00 0.00 33.01 33.83 3ibc s GLN 59 CO 0.04 -0.01 1.37 0.71 -2.12 0.00 0.00 175.29 175.28 3ibc s TYR 60 N -2.51 3.14 -0.13 0.91 2.02 -1.26 -4.93 117.35 114.58 3ibc s TYR 60 Ca -0.01 1.14 -0.29 0.00 -0.37 0.00 0.00 57.07 57.53 3ibc s TYR 60 Cb -0.02 -3.71 -0.04 0.00 -0.40 0.00 0.00 41.96 37.79 3ibc s TYR 60 CO -0.03 -2.24 1.65 1.21 -1.57 0.00 0.00 175.55 174.57 3ibc s ASN 61 N 0.30 6.50 -0.19 2.29 2.47 -1.26 -4.85 114.94 120.19 3ibc s ASN 61 Ca 0.57 1.94 0.15 0.00 0.42 0.00 0.00 52.86 55.95 3ibc s ASN 61 Cb -0.39 -2.53 0.72 0.00 -1.45 0.00 0.00 41.25 37.59 3ibc s ASN 61 CO 0.41 -1.11 1.63 0.23 -3.72 0.00 0.00 177.10 174.55 3ibc n MET 62 N 7.42 4.12 -3.00 0.43 2.81 -1.26 -4.84 117.12 122.79 3ibc n MET 62 Ca 0.18 -3.00 -0.44 0.00 -1.81 0.00 0.00 57.70 52.64 3ibc n MET 62 Cb 0.44 -2.05 -0.01 0.00 -0.71 0.00 0.00 33.22 30.89 3ibc n MET 62 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3ibc s ASN 63 N -1.10 6.95 0.05 7.83 2.47 -1.26 -4.95 114.94 124.93 3ibc s ASN 63 Ca 0.50 -2.76 -0.07 0.00 0.42 0.00 0.00 52.86 50.95 3ibc s ASN 63 Cb 0.37 -2.37 -0.01 0.00 -1.45 0.00 0.00 41.25 37.79 3ibc s ASN 63 CO 0.16 -0.78 0.13 -0.36 -3.72 0.00 0.00 177.10 172.53 3ibc s PHE 64 N 1.54 0.18 0.22 0.43 0.08 -1.26 -5.02 117.98 114.15 3ibc s PHE 64 Ca 0.37 -0.51 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 3ibc s PHE 64 Cb -0.04 -0.12 0.32 0.00 -0.57 0.00 0.00 43.02 42.60 3ibc s PHE 64 CO -0.04 -0.42 1.80 0.93 -0.10 0.00 0.00 175.22 177.39 3ibc h GLU 65 N 3.40 0.66 -6.56 0.44 5.08 -1.92 -3.42 114.58 112.26 3ibc h GLU 65 Ca -0.33 -0.04 -0.65 0.00 -1.00 0.00 0.00 59.36 57.34 3ibc h GLU 65 Cb 1.19 -0.15 -0.16 0.00 0.50 0.00 0.00 28.75 30.12 3ibc h GLU 65 CO 0.52 0.44 -0.76 0.15 -1.00 0.00 0.00 179.01 178.36 3ibc s LYS 66 N -6.07 1.89 -0.04 2.33 1.02 -0.60 -5.03 119.74 113.24 3ibc s LYS 66 Ca -0.13 -1.27 -0.23 0.00 0.02 0.00 0.00 55.97 54.36 3ibc s LYS 66 Cb 0.18 -2.10 -0.26 0.00 -0.52 0.00 0.00 37.83 35.13 3ibc s LYS 66 CO 0.77 0.45 0.99 1.25 -0.92 0.00 0.00 175.35 177.89 3ibc h LEU 67 N 3.24 0.36 0.00 3.17 5.85 -1.82 -1.90 115.31 124.21 3ibc h LEU 67 Ca -0.48 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.41 3ibc h LEU 67 Cb 1.19 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3ibc h LEU 67 CO 0.51 1.15 0.00 0.61 -0.34 0.00 0.00 178.44 180.37 3ibc n GLY 68 N 1.26 2.60 3.79 3.75 0.00 -1.26 -0.96 105.19 114.36 3ibc n GLY 68 Ca -0.11 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 3ibc n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ibc s LYS 69 N -2.03 4.28 -0.22 1.61 2.20 -1.25 -1.40 119.74 122.93 3ibc s LYS 69 Ca 0.00 0.76 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 3ibc s LYS 69 Cb 0.00 -3.29 0.04 0.00 -1.51 0.00 0.00 37.83 33.07 3ibc s LYS 69 CO 0.00 0.50 -0.14 0.00 -0.36 0.00 0.00 175.35 175.35 3ibc s ILE 71 N 1.22 5.31 -0.28 0.00 1.01 0.45 -1.90 121.20 127.00 3ibc s ILE 71 Ca -0.02 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.18 3ibc s ILE 71 Cb -0.16 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.76 3ibc s ILE 71 CO -0.08 0.38 -0.07 -0.63 0.00 0.00 0.00 174.94 174.54 3ibc s ILE 72 N 0.55 2.14 -0.35 2.92 1.01 -0.58 0.60 121.20 127.49 3ibc s ILE 72 Ca 0.15 -1.78 -0.16 0.00 0.00 0.00 0.00 60.65 58.87 3ibc s ILE 72 Cb -0.13 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3ibc s ILE 72 CO 0.04 -0.18 0.40 -0.63 0.00 0.00 0.00 174.94 174.57 3ibc s ILE 73 N 1.08 5.13 -0.58 2.92 1.01 0.02 0.18 121.20 130.96 3ibc s ILE 73 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 3ibc s ILE 73 Cb -0.20 -3.88 0.15 0.00 0.01 0.00 0.00 42.46 38.55 3ibc s ILE 73 CO -0.06 -0.16 0.37 0.21 0.00 0.00 0.00 174.94 175.30 3ibc s ASN 74 N 1.75 4.98 -0.39 3.58 2.47 0.26 -1.17 114.94 126.41 3ibc s ASN 74 Ca 0.13 -2.83 -0.20 0.00 0.42 0.00 0.00 52.86 50.38 3ibc s ASN 74 Cb -0.16 -1.79 0.01 0.00 -1.45 0.00 0.00 41.25 37.86 3ibc s ASN 74 CO 0.12 -0.34 0.63 0.20 -3.72 0.00 0.00 177.10 173.98 3ibc s ASN 75 N 0.50 6.36 -0.10 -4.21 0.01 -0.30 -1.51 114.94 115.69 3ibc s ASN 75 Ca 0.16 -0.11 0.05 0.00 -0.71 0.00 0.00 52.86 52.26 3ibc s ASN 75 Cb -0.22 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.03 3ibc s ASN 75 CO -0.03 -0.67 -0.03 1.17 -1.51 0.00 0.00 177.10 176.04 3ibc n LYS 76 N 6.11 1.55 -4.69 -0.60 4.81 -1.26 -4.46 118.16 119.62 3ibc n LYS 76 Ca -0.02 0.03 -0.33 0.00 -0.87 0.00 0.00 58.31 57.12 3ibc n LYS 76 Cb 0.48 -1.24 -0.15 0.00 0.02 0.00 0.00 35.03 34.14 3ibc n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3ibc s ASN 77 N -4.58 3.66 0.20 3.14 0.01 -1.26 -1.74 114.94 114.38 3ibc s ASN 77 Ca -0.10 -0.45 0.09 0.00 -0.71 0.00 0.00 52.86 51.70 3ibc s ASN 77 Cb 0.03 -1.55 -0.04 0.00 0.41 0.00 0.00 41.25 40.10 3ibc s ASN 77 CO 0.34 0.12 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.59 3ibc s PHE 78 N 0.63 2.61 0.39 2.20 0.40 -1.26 -4.73 117.98 118.21 3ibc s PHE 78 Ca -0.09 -0.23 -0.27 0.00 -0.60 0.00 0.00 56.93 55.73 3ibc s PHE 78 Cb -0.16 -1.25 -0.11 0.00 0.51 0.00 0.00 43.02 42.02 3ibc s PHE 78 CO 0.03 0.54 1.45 -0.25 0.70 0.00 0.00 175.22 177.69 3ibc n ASP 79 N -0.14 3.58 -0.34 1.36 8.00 0.16 -4.88 116.55 124.29 3ibc n ASP 79 Ca -0.10 1.20 0.20 0.00 0.71 0.00 0.00 54.79 56.81 3ibc n ASP 79 Cb 0.56 -1.60 0.43 0.00 -0.02 0.00 0.00 41.12 40.49 3ibc n ASP 79 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3ibc h LYS 80 N 2.76 0.47 -0.58 -1.24 6.56 -1.93 -0.65 116.57 121.96 3ibc h LYS 80 Ca -0.50 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.04 3ibc h LYS 80 Cb 1.25 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.78 3ibc h LYS 80 CO 0.63 0.31 0.29 -0.24 -2.06 0.00 0.00 179.45 178.38 3ibc h VAL 81 N 0.49 1.20 -0.15 0.50 3.04 -1.92 -2.82 116.25 116.59 3ibc h VAL 81 Ca 0.67 -0.56 0.04 0.00 -1.01 0.00 0.00 66.70 65.84 3ibc h VAL 81 Cb 1.40 0.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 3ibc h VAL 81 CO -0.50 0.23 0.17 0.71 -1.01 0.00 0.00 177.57 177.17 3ibc h THR 82 N 0.79 0.47 -0.06 3.17 1.35 -1.39 -3.45 112.91 113.77 3ibc h THR 82 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.03 3ibc h THR 82 Cb 0.10 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 3ibc h THR 82 CO -0.03 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 175.83 3ibc n GLY 83 N -1.38 0.39 3.79 5.82 0.00 -1.07 -4.99 105.19 107.75 3ibc n GLY 83 Ca 0.01 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3ibc n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ibc s MET 84 N -1.15 4.06 1.12 1.61 -1.94 -1.26 -5.08 119.30 116.65 3ibc s MET 84 Ca 0.00 0.32 -0.19 0.00 -1.71 0.00 0.00 55.69 54.12 3ibc s MET 84 Cb 0.00 -3.31 0.28 0.00 2.01 0.00 0.00 34.83 33.81 3ibc s MET 84 CO 0.00 0.48 0.96 0.41 -0.01 0.00 0.00 175.02 176.87 3ibc n GLY 85 N 2.48 -2.82 3.70 -0.03 0.00 -1.26 -4.58 105.19 102.68 3ibc n GLY 85 Ca -0.12 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 3ibc n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibc s VAL 86 N -2.72 4.96 -1.39 1.61 1.01 -1.26 -4.61 120.40 118.00 3ibc s VAL 86 Ca 0.63 1.60 -0.13 0.00 0.00 0.00 0.00 61.98 64.08 3ibc s VAL 86 Cb -0.07 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.28 3ibc s VAL 86 CO 0.49 0.16 2.08 0.54 0.00 0.00 0.00 175.10 178.37 3ibc n ARG 87 N 4.29 3.09 -1.97 2.72 1.74 -0.71 -4.97 116.66 120.85 3ibc n ARG 87 Ca 0.02 -2.93 -0.41 0.00 -0.77 0.00 0.00 57.85 53.76 3ibc n ARG 87 Cb 0.50 -3.20 -0.02 0.00 -1.02 0.00 0.00 32.46 28.72 3ibc n ARG 87 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3ibc s ASN 88 N 2.66 6.58 0.00 0.55 0.01 -1.26 -2.13 114.94 121.35 3ibc s ASN 88 Ca 0.45 2.79 0.00 0.00 -0.71 0.00 0.00 52.86 55.40 3ibc s ASN 88 Cb 0.12 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.13 3ibc s ASN 88 CO -0.05 -0.72 0.00 0.61 -1.51 0.00 0.00 177.10 175.43 3ibc n GLY 89 N 1.43 2.74 0.30 0.66 0.00 -1.26 -4.90 105.19 104.17 3ibc n GLY 89 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 3ibc n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibc h THR 90 N 0.00 0.46 0.05 2.61 1.03 -1.84 0.23 112.91 115.45 3ibc h THR 90 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.16 3ibc h THR 90 Cb 0.00 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.08 3ibc h THR 90 CO 0.00 0.00 -1.05 0.44 -0.01 0.00 0.00 175.52 174.90 3ibc h ASP 91 N 0.00 0.45 -0.50 0.00 3.32 -1.91 -2.05 116.42 115.74 3ibc h ASP 91 Ca 0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 3ibc h ASP 91 Cb 0.02 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3ibc h ASP 91 CO -0.00 1.24 0.25 0.50 -1.72 0.00 0.00 179.24 179.52 3ibc h LYS 92 N 0.15 0.75 0.33 3.56 3.64 -1.37 -1.72 116.57 121.91 3ibc h LYS 92 Ca -0.10 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3ibc h LYS 92 Cb 1.71 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 3ibc h LYS 92 CO 0.17 0.58 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.34 3ibc h ASP 93 N 0.75 -0.37 -0.85 4.20 3.32 -1.38 -2.94 116.42 119.15 3ibc h ASP 93 Ca 0.19 -0.13 0.21 0.00 0.02 0.00 0.00 57.03 57.32 3ibc h ASP 93 Cb 0.09 0.10 -0.15 0.00 0.22 0.00 0.00 39.33 39.58 3ibc h ASP 93 CO -0.02 0.09 0.02 0.00 -1.72 0.00 0.00 179.24 177.61 3ibc h ALA 94 N -0.78 0.94 -0.37 3.45 0.00 -1.21 0.59 119.26 121.89 3ibc h ALA 94 Ca -0.04 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ibc h ALA 94 Cb 0.48 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3ibc h ALA 94 CO 0.07 -0.47 0.18 1.49 0.00 0.00 0.00 179.25 180.53 3ibc h GLU 95 N 0.08 0.53 -0.48 0.00 4.81 -1.40 0.48 114.58 118.60 3ibc h GLU 95 Ca 0.49 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3ibc h GLU 95 Cb 0.91 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3ibc h GLU 95 CO -0.76 0.47 0.29 0.00 -0.73 0.00 0.00 179.01 178.28 3ibc h ALA 96 N 1.03 0.61 -0.62 2.92 0.00 -0.13 -0.46 119.26 122.62 3ibc h ALA 96 Ca 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ibc h ALA 96 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3ibc h ALA 96 CO -0.02 0.10 0.14 -0.07 0.00 0.00 0.00 179.25 179.40 3ibc h LEU 97 N 0.65 0.95 0.13 0.00 3.38 0.24 -0.56 115.31 120.10 3ibc h LEU 97 Ca 0.17 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3ibc h LEU 97 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3ibc h LEU 97 CO -0.03 0.94 -0.16 0.15 0.09 0.00 0.00 178.44 179.43 3ibc h PHE 98 N 0.92 -0.41 -0.61 1.13 3.57 0.52 -0.43 116.94 121.62 3ibc h PHE 98 Ca 0.19 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3ibc h PHE 98 Cb 0.37 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3ibc h PHE 98 CO 0.03 -0.24 0.39 0.87 -2.23 0.00 0.00 178.31 177.13 3ibc h LYS 99 N -0.33 0.75 0.52 1.11 1.57 -0.97 -1.39 116.57 117.83 3ibc h LYS 99 Ca 0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3ibc h LYS 99 Cb 0.33 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ibc h LYS 99 CO -0.06 0.50 -0.25 0.00 -0.57 0.00 0.00 179.45 179.07 3ibc h PHE 101 N -0.69 0.10 -0.60 0.00 -1.00 -1.07 -2.35 116.94 111.33 3ibc h PHE 101 Ca -0.07 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 3ibc h PHE 101 Cb 0.53 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.04 3ibc h PHE 101 CO -0.04 0.38 0.22 -0.09 -1.61 0.00 0.00 178.31 177.17 3ibc h ARG 102 N 0.08 0.90 -0.08 1.51 9.65 -1.12 -1.33 114.38 123.99 3ibc h ARG 102 Ca 0.01 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 3ibc h ARG 102 Cb 0.57 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3ibc h ARG 102 CO 0.04 0.78 0.01 0.77 2.80 0.00 0.00 179.97 184.37 3ibc h SER 103 N 0.83 0.10 1.11 -3.80 0.02 -0.81 -0.54 113.55 110.46 3ibc h SER 103 Ca 0.20 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3ibc h SER 103 Cb 0.23 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3ibc h SER 103 CO -0.01 0.12 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.26 3ibc h LEU 104 N 0.11 0.00 0.00 5.07 3.38 -1.17 -3.47 115.31 119.23 3ibc h LEU 104 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ibc h LEU 104 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ibc h LEU 104 CO -0.00 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.60 3ibc n GLY 105 N 0.70 1.73 3.81 0.83 0.00 -0.21 -5.03 105.19 107.01 3ibc n GLY 105 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3ibc n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ibc s PHE 106 N -1.95 3.64 -0.81 1.61 0.08 -0.54 -4.15 117.98 115.87 3ibc s PHE 106 Ca 0.00 1.51 -0.18 0.00 0.12 0.00 0.00 56.93 58.38 3ibc s PHE 106 Cb 0.00 -2.72 0.14 0.00 -0.57 0.00 0.00 43.02 39.87 3ibc s PHE 106 CO 0.00 0.27 0.94 -0.51 -0.10 0.00 0.00 175.22 175.82 3ibc s ASP 107 N -1.68 6.52 -0.14 1.36 1.01 -0.49 -4.39 116.67 118.85 3ibc s ASP 107 Ca 0.46 -1.95 -0.08 0.00 0.71 0.00 0.00 52.55 51.70 3ibc s ASP 107 Cb -0.17 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 3ibc s ASP 107 CO 0.21 -1.01 0.13 0.54 0.21 0.00 0.00 175.17 175.26 3ibc s VAL 108 N 2.27 5.39 -0.02 -1.27 0.11 -1.26 -1.67 120.40 123.95 3ibc s VAL 108 Ca 0.24 0.17 0.05 0.00 -2.93 0.00 0.00 61.98 59.51 3ibc s VAL 108 Cb -0.11 -3.38 -0.01 0.00 -1.53 0.00 0.00 36.38 31.35 3ibc s VAL 108 CO -0.04 0.56 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.50 3ibc s ILE 109 N -0.58 1.26 -0.11 7.04 1.01 -0.80 -4.96 121.20 124.06 3ibc s ILE 109 Ca 0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3ibc s ILE 109 Cb -0.12 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3ibc s ILE 109 CO 0.02 0.36 -0.05 -0.69 0.00 0.00 0.00 174.94 174.58 3ibc s VAL 110 N -0.27 3.79 -0.10 2.92 1.01 -1.26 -1.52 120.40 124.96 3ibc s VAL 110 Ca 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3ibc s VAL 110 Cb -0.07 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3ibc s VAL 110 CO -0.00 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.17 3ibc s TYR 111 N -0.29 2.70 -0.01 5.22 2.02 0.13 -4.97 117.35 122.15 3ibc s TYR 111 Ca 0.04 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 56.08 3ibc s TYR 111 Cb -0.13 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 3ibc s TYR 111 CO 0.02 -0.21 -0.02 -0.80 -1.57 0.00 0.00 175.55 172.97 3ibc s ASN 112 N 0.15 4.95 -0.49 2.29 0.01 -1.26 0.89 114.94 121.48 3ibc s ASN 112 Ca -0.09 -0.04 -0.18 0.00 -0.71 0.00 0.00 52.86 51.83 3ibc s ASN 112 Cb -0.16 -1.25 0.03 0.00 0.41 0.00 0.00 41.25 40.28 3ibc s ASN 112 CO 0.06 0.29 0.51 0.47 -1.51 0.00 0.00 177.10 176.91 3ibc n ASP 113 N 1.52 -4.10 -4.89 -1.22 8.00 -0.57 -4.92 116.55 110.39 3ibc n ASP 113 Ca -0.15 -0.42 -0.35 0.00 0.71 0.00 0.00 54.79 54.58 3ibc n ASP 113 Cb 0.53 -1.26 -0.05 0.00 -0.02 0.00 0.00 41.12 40.31 3ibc n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibc s SER 115 N -1.45 4.83 0.22 0.00 1.04 -1.26 -1.00 113.70 116.08 3ibc s SER 115 Ca 0.22 1.56 -0.08 0.00 0.48 0.00 0.00 55.95 58.12 3ibc s SER 115 Cb -0.13 -2.35 0.25 0.00 0.10 0.00 0.00 66.02 63.90 3ibc s SER 115 CO 0.11 -1.79 1.83 0.00 0.98 0.00 0.00 173.24 174.38 3ibc h ALA 117 N 1.35 0.29 0.19 0.00 0.00 -1.98 -0.19 119.26 118.91 3ibc h ALA 117 Ca 0.31 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.32 3ibc h ALA 117 Cb 0.13 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3ibc h ALA 117 CO -0.16 -0.39 -0.46 -0.22 0.00 0.00 0.00 179.25 178.02 3ibc h LYS 118 N 0.11 -0.71 -0.71 0.00 1.63 -1.58 0.41 116.57 115.72 3ibc h LYS 118 Ca 0.15 0.05 0.11 0.00 -0.85 0.00 0.00 60.65 60.10 3ibc h LYS 118 Cb 0.19 0.16 -0.08 0.00 -0.60 0.00 0.00 32.23 31.90 3ibc h LYS 118 CO -0.23 -0.47 0.32 0.52 -3.45 0.00 0.00 179.45 176.13 3ibc h MET 119 N -0.74 0.51 -0.29 1.90 2.86 -0.89 0.19 114.93 118.47 3ibc h MET 119 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3ibc h MET 119 Cb 0.73 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3ibc h MET 119 CO -0.22 0.34 0.16 1.96 1.06 0.00 0.00 176.91 180.21 3ibc h GLN 120 N 0.53 0.39 0.13 1.72 1.08 -0.41 -2.04 115.11 116.51 3ibc h GLN 120 Ca 0.36 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.54 3ibc h GLN 120 Cb 0.44 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 3ibc h GLN 120 CO -0.31 0.32 -0.24 0.22 -0.95 0.00 0.00 178.83 177.87 3ibc h ASP 121 N 0.35 -0.68 0.39 1.46 3.58 0.13 -1.06 116.42 120.60 3ibc h ASP 121 Ca 0.10 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 3ibc h ASP 121 Cb 0.04 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3ibc h ASP 121 CO -0.02 -0.33 -0.52 -0.07 -2.88 0.00 0.00 179.24 175.42 3ibc h LEU 122 N -0.45 -1.47 -1.57 2.28 4.07 -0.58 0.22 115.31 117.81 3ibc h LEU 122 Ca 0.03 0.13 0.14 0.00 0.08 0.00 0.00 57.88 58.26 3ibc h LEU 122 Cb 0.47 0.50 -0.05 0.00 1.08 0.00 0.00 40.66 42.66 3ibc h LEU 122 CO -0.13 -0.64 0.49 -0.07 -1.08 0.00 0.00 178.44 177.01 3ibc h LEU 123 N -0.94 0.40 0.10 1.67 -0.00 -1.34 0.27 115.31 115.48 3ibc h LEU 123 Ca -0.05 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 3ibc h LEU 123 Cb 0.85 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 3ibc h LEU 123 CO -0.13 0.21 -0.05 0.50 -0.00 0.00 0.00 178.44 178.97 3ibc h LYS 124 N 0.43 -0.13 -0.28 1.13 3.64 -0.54 -2.03 116.57 118.79 3ibc h LYS 124 Ca 0.36 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.80 3ibc h LYS 124 Cb 0.79 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 3ibc h LYS 124 CO -0.12 0.30 -0.05 0.87 -2.27 0.00 0.00 179.45 178.18 3ibc h LYS 125 N -0.62 0.02 -1.00 1.90 1.79 -0.37 -1.99 116.57 116.30 3ibc h LYS 125 Ca -0.01 -0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 3ibc h LYS 125 Cb 0.50 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.07 3ibc h LYS 125 CO 0.02 0.01 0.65 0.00 -1.08 0.00 0.00 179.45 179.05 3ibc h ALA 126 N 1.28 1.41 0.00 3.86 0.00 -0.99 0.13 119.26 124.94 3ibc h ALA 126 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ibc h ALA 126 Cb 0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ibc h ALA 126 CO -0.28 0.44 -0.14 0.66 0.00 0.00 0.00 179.25 179.94 3ibc h SER 127 N 1.17 0.00 0.26 0.00 4.64 -0.67 -1.93 113.55 117.02 3ibc h SER 127 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3ibc h SER 127 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3ibc h SER 127 CO -0.17 0.14 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.05 3ibc n GLU 128 N -3.49 0.80 -1.27 4.77 1.02 0.36 -4.75 120.64 118.09 3ibc n GLU 128 Ca -0.01 -0.46 -0.29 0.00 -0.02 0.00 0.00 57.16 56.38 3ibc n GLU 128 Cb 0.29 -1.49 0.19 0.00 -0.02 0.00 0.00 31.44 30.41 3ibc n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3ibc s GLU 129 N -2.51 0.12 -0.43 3.49 2.02 -0.71 -4.99 118.70 115.70 3ibc s GLU 129 Ca 0.24 0.25 -0.16 0.00 0.02 0.00 0.00 54.97 55.32 3ibc s GLU 129 Cb 0.19 -1.72 0.03 0.00 0.10 0.00 0.00 34.13 32.73 3ibc s GLU 129 CO 0.52 -2.88 0.37 0.34 0.02 0.00 0.00 175.26 173.63 3ibc s ASP 130 N -3.78 6.15 -0.22 -0.19 2.15 -1.26 -4.90 116.67 114.62 3ibc s ASP 130 Ca 0.67 -0.89 0.13 0.00 0.43 0.00 0.00 52.55 52.88 3ibc s ASP 130 Cb -0.15 -2.19 0.75 0.00 -0.30 0.00 0.00 42.92 41.03 3ibc s ASP 130 CO 0.56 -0.54 1.63 1.41 -0.17 0.00 0.00 175.17 178.06 3ibc n HIS 131 N 5.34 1.90 -0.12 -5.34 8.25 -1.26 -4.58 115.22 119.41 3ibc n HIS 131 Ca -0.10 -0.66 0.15 0.00 -0.26 0.00 0.00 57.72 56.85 3ibc n HIS 131 Cb 0.47 -0.48 0.53 0.00 1.12 0.00 0.00 29.99 31.63 3ibc n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ibc h THR 132 N 3.62 0.82 -0.50 1.59 2.02 -1.92 -1.48 112.91 117.05 3ibc h THR 132 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3ibc h THR 132 Cb 1.85 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 3ibc h THR 132 CO 0.45 0.07 0.00 0.59 0.37 0.00 0.00 175.52 176.99 3ibc n ASN 133 N -4.46 4.55 -4.76 4.18 3.02 -1.26 -4.95 115.26 111.57 3ibc n ASN 133 Ca 0.12 -2.64 -0.35 0.00 -0.03 0.00 0.00 54.58 51.69 3ibc n ASN 133 Cb 0.49 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 39.03 3ibc n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibc s ALA 134 N -2.18 3.52 0.09 5.41 0.00 -0.56 -1.56 121.76 126.48 3ibc s ALA 134 Ca 0.46 -0.79 0.13 0.00 0.00 0.00 0.00 51.96 51.77 3ibc s ALA 134 Cb 0.33 -1.63 0.20 0.00 0.00 0.00 0.00 23.12 22.02 3ibc s ALA 134 CO 0.18 0.63 1.50 0.00 0.00 0.00 0.00 175.76 178.07 3ibc h ALA 135 N 4.80 0.72 -2.20 0.00 0.00 -0.30 -3.48 119.26 118.81 3ibc h ALA 135 Ca -0.51 -0.58 0.24 0.00 0.00 0.00 0.00 54.91 54.06 3ibc h ALA 135 Cb 1.20 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3ibc h ALA 135 CO 0.58 0.79 0.69 0.00 0.00 0.00 0.00 179.25 181.30 3ibc s PHE 137 N -2.32 1.33 -0.05 0.00 5.36 -0.80 -3.83 117.98 117.68 3ibc s PHE 137 Ca 0.24 -0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 55.81 3ibc s PHE 137 Cb -0.01 -0.78 0.02 0.00 -0.34 0.00 0.00 43.02 41.91 3ibc s PHE 137 CO 0.02 0.06 0.11 0.00 -1.46 0.00 0.00 175.22 173.94 3ibc s ALA 138 N -0.93 -0.21 -0.02 11.12 0.00 -0.72 -0.14 121.76 130.86 3ibc s ALA 138 Ca 0.02 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3ibc s ALA 138 Cb -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 3ibc s ALA 138 CO 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 175.76 175.56 3ibc s ILE 140 N -0.01 1.79 -0.17 0.00 1.01 0.20 -0.72 121.20 123.30 3ibc s ILE 140 Ca -0.00 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3ibc s ILE 140 Cb -0.08 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.85 3ibc s ILE 140 CO 0.00 0.50 -0.19 -0.76 0.00 0.00 0.00 174.94 174.50 3ibc s LEU 141 N 0.28 2.22 -0.31 2.97 1.43 0.74 -0.80 118.68 125.22 3ibc s LEU 141 Ca -0.13 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.40 3ibc s LEU 141 Cb -0.16 -1.50 0.09 0.00 0.03 0.00 0.00 46.19 44.65 3ibc s LEU 141 CO 0.06 0.03 0.02 -0.76 0.23 0.00 0.00 176.35 175.93 3ibc s LEU 142 N 1.09 3.80 0.00 1.79 1.43 -0.32 -0.75 118.68 125.72 3ibc s LEU 142 Ca -0.00 -1.80 0.00 0.00 -1.03 0.00 0.00 54.13 51.30 3ibc s LEU 142 Cb -0.14 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3ibc s LEU 142 CO -0.07 -0.33 0.00 -0.24 0.23 0.00 0.00 176.35 175.93 3ibc n SER 143 N 4.44 0.00 -4.87 2.29 2.88 -1.09 -1.15 113.62 116.13 3ibc n SER 143 Ca -0.02 -0.43 -0.33 0.00 -1.33 0.00 0.00 58.87 56.75 3ibc n SER 143 Cb 0.42 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.83 3ibc n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3ibc s HIS 144 N -4.88 3.51 0.27 0.66 3.76 -1.26 -4.32 115.29 113.03 3ibc s HIS 144 Ca 0.00 0.87 -0.15 0.00 -0.15 0.00 0.00 55.06 55.63 3ibc s HIS 144 Cb 0.00 -2.24 0.01 0.00 1.11 0.00 0.00 32.58 31.46 3ibc s HIS 144 CO 0.00 0.38 0.56 0.20 -0.85 0.00 0.00 174.74 175.04 3ibc s GLY 145 N -2.07 0.37 0.28 -2.22 0.00 -1.26 0.34 107.32 102.77 3ibc s GLY 145 Ca 0.41 -0.72 -0.05 0.00 0.00 0.00 0.00 44.72 44.36 3ibc s GLY 145 CO 0.20 -0.47 0.40 -0.54 0.00 0.00 0.00 173.10 172.70 3ibc s GLU 146 N -3.90 1.65 -0.47 2.90 2.02 -0.49 -3.69 118.70 116.71 3ibc s GLU 146 Ca 0.19 -1.58 -0.43 0.00 0.02 0.00 0.00 54.97 53.17 3ibc s GLU 146 Cb -0.02 0.41 -0.18 0.00 0.10 0.00 0.00 34.13 34.44 3ibc s GLU 146 CO 0.09 -0.66 2.12 -1.91 0.02 0.00 0.00 175.26 174.92 3ibc n GLU 147 N -0.45 0.19 -0.40 1.61 4.07 -0.90 -0.84 120.64 123.92 3ibc n GLU 147 Ca 0.01 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 3ibc n GLU 147 Cb 0.63 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 3ibc n GLU 147 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3ibc n ASN 148 N 7.69 0.00 -4.28 4.31 4.13 -1.26 -4.98 115.26 120.87 3ibc n ASN 148 Ca 0.51 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.59 3ibc n ASN 148 Cb 0.00 -0.70 -0.11 0.00 -1.54 0.00 0.00 39.78 37.44 3ibc n ASN 148 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3ibc s VAL 149 N -2.61 1.50 0.08 2.41 -7.23 -0.02 -1.90 120.40 112.63 3ibc s VAL 149 Ca 0.00 -1.91 0.08 0.00 -1.81 0.00 0.00 61.98 58.34 3ibc s VAL 149 Cb 0.00 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 3ibc s VAL 149 CO 0.00 -0.48 -0.21 -0.51 -0.31 0.00 0.00 175.10 173.60 3ibc s ILE 150 N -2.46 1.68 0.07 -0.62 1.10 -0.24 -1.40 121.20 119.33 3ibc s ILE 150 Ca 0.14 -1.43 -0.17 0.00 -0.51 0.00 0.00 60.65 58.67 3ibc s ILE 150 Cb -0.03 -1.51 -0.06 0.00 0.15 0.00 0.00 42.46 41.00 3ibc s ILE 150 CO 0.04 0.01 0.52 -0.31 -2.11 0.00 0.00 174.94 173.10 3ibc s TYR 151 N -1.06 3.75 0.13 3.50 1.51 0.15 -0.18 117.35 125.16 3ibc s TYR 151 Ca 0.06 1.17 0.02 0.00 -1.01 0.00 0.00 57.07 57.31 3ibc s TYR 151 Cb -0.10 -2.42 0.02 0.00 -0.11 0.00 0.00 41.96 39.35 3ibc s TYR 151 CO 0.03 0.58 0.16 0.41 -1.11 0.00 0.00 175.55 175.62 3ibc n GLY 152 N 1.58 2.13 0.12 0.71 0.00 0.30 -4.56 105.19 105.48 3ibc n GLY 152 Ca -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3ibc n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ibc h LYS 153 N 0.00 0.00 0.00 1.61 2.10 -1.36 -3.27 116.57 115.66 3ibc h LYS 153 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3ibc h LYS 153 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3ibc h LYS 153 CO 0.09 0.60 -0.74 -0.40 -2.00 0.00 0.00 179.45 177.00 3ibc n ASP 154 N -3.24 0.64 0.00 7.07 5.68 -1.26 0.36 116.55 125.80 3ibc n ASP 154 Ca 0.01 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 3ibc n ASP 154 Cb 0.78 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 41.14 3ibc n ASP 154 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ibc n GLY 155 N 1.37 -0.73 3.20 6.12 0.00 -1.23 -4.72 105.19 109.20 3ibc n GLY 155 Ca 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3ibc n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ibc s VAL 156 N -2.39 0.96 -0.06 1.61 -7.23 -1.26 0.11 120.40 112.14 3ibc s VAL 156 Ca 0.00 -1.89 -0.10 0.00 -1.81 0.00 0.00 61.98 58.17 3ibc s VAL 156 Cb 0.00 -1.65 0.02 0.00 0.56 0.00 0.00 36.38 35.31 3ibc s VAL 156 CO 0.00 -0.73 0.25 0.28 -0.31 0.00 0.00 175.10 174.59 3ibc s THR 157 N -3.15 0.03 0.07 5.32 -1.32 0.75 -4.86 115.64 112.48 3ibc s THR 157 Ca 0.12 -0.24 -0.31 0.00 -1.21 0.00 0.00 61.69 60.05 3ibc s THR 157 Cb 0.02 -0.44 -0.08 0.00 -1.51 0.00 0.00 72.50 70.48 3ibc s THR 157 CO -0.01 -0.13 1.65 -2.84 -2.21 0.00 0.00 174.62 171.08 3ibc s PRO 158 N -0.48 4.20 0.33 7.08 0.02 -1.26 -1.08 135.00 143.80 3ibc s PRO 158 Ca -0.06 2.34 0.04 0.00 0.02 0.00 0.00 61.00 63.34 3ibc s PRO 158 Cb -0.04 -3.58 0.66 0.00 0.02 0.00 0.00 34.50 31.56 3ibc s PRO 158 CO 0.01 -0.73 1.90 0.82 -0.33 0.00 0.00 177.00 178.68 3ibc h ILE 159 N 4.77 0.98 -0.04 2.83 2.04 -1.72 -0.46 117.51 125.91 3ibc h ILE 159 Ca -0.43 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.15 3ibc h ILE 159 Cb 1.20 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3ibc h ILE 159 CO 0.93 0.16 0.03 0.11 0.00 0.00 0.00 178.15 179.38 3ibc h LYS 160 N 0.87 0.00 0.01 2.37 1.57 -1.91 -1.49 116.57 117.98 3ibc h LYS 160 Ca 0.40 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.97 3ibc h LYS 160 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3ibc h LYS 160 CO -0.16 0.00 -0.91 -0.44 -0.57 0.00 0.00 179.45 177.36 3ibc h ASP 161 N 0.00 0.31 -0.20 0.86 3.32 -1.47 -0.01 116.42 119.23 3ibc h ASP 161 Ca 0.02 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.65 3ibc h ASP 161 Cb 0.09 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ibc h ASP 161 CO -0.00 1.07 -0.47 -0.07 -1.72 0.00 0.00 179.24 178.05 3ibc h LEU 162 N 0.13 0.83 0.00 1.55 3.38 -1.15 -3.29 115.31 116.76 3ibc h LEU 162 Ca -0.05 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 3ibc h LEU 162 Cb 1.55 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3ibc h LEU 162 CO 0.14 1.17 -1.07 0.71 0.09 0.00 0.00 178.44 179.48 3ibc h THR 163 N 0.61 0.52 -0.86 0.22 1.35 -1.32 -3.37 112.91 110.06 3ibc h THR 163 Ca 0.03 -1.90 0.15 0.00 -0.55 0.00 0.00 66.41 64.14 3ibc h THR 163 Cb 1.04 2.07 -0.07 0.00 -1.73 0.00 0.00 68.15 69.46 3ibc h THR 163 CO 0.10 0.30 0.56 0.00 -0.25 0.00 0.00 175.52 176.23 3ibc h ALA 164 N 1.53 1.93 -0.61 6.62 0.00 -1.05 -1.81 119.26 125.86 3ibc h ALA 164 Ca -0.09 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.01 3ibc h ALA 164 Cb 1.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3ibc h ALA 164 CO 0.04 -0.17 0.62 0.45 0.00 0.00 0.00 179.25 180.20 3ibc h HIS 165 N 0.61 0.00 -0.52 0.00 3.86 -1.73 -0.79 115.15 116.58 3ibc h HIS 165 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 3ibc h HIS 165 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 3ibc h HIS 165 CO -0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98 3ibc n PHE 166 N -3.71 1.47 -2.06 2.45 3.01 -0.68 -4.20 117.46 113.74 3ibc n PHE 166 Ca 0.12 -0.55 -0.35 0.00 1.01 0.00 0.00 57.45 57.68 3ibc n PHE 166 Cb 0.85 -0.32 0.03 0.00 -0.01 0.00 0.00 39.48 40.03 3ibc n PHE 166 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3ibc s ARG 167 N -2.09 3.06 0.31 -1.08 0.52 -0.30 -4.67 118.95 114.70 3ibc s ARG 167 Ca 0.44 1.73 0.07 0.00 -0.52 0.00 0.00 55.73 57.44 3ibc s ARG 167 Cb 0.31 -1.95 0.75 0.00 0.52 0.00 0.00 34.95 34.58 3ibc s ARG 167 CO 0.17 -1.11 1.79 0.78 0.02 0.00 0.00 175.30 176.95 3ibc h GLY 168 N 0.90 1.69 0.85 -3.53 0.00 -1.91 0.46 103.07 101.52 3ibc h GLY 168 Ca -0.50 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.48 3ibc h GLY 168 CO 0.55 -0.03 0.00 2.09 0.00 0.00 0.00 176.54 179.15 3ibc n ASP 169 N -4.72 0.00 0.00 0.19 5.75 -1.26 -3.31 116.55 113.20 3ibc n ASP 169 Ca 0.22 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 3ibc n ASP 169 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3ibc n ASP 169 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ibc n ARG 170 N -0.92 0.47 -2.89 0.11 1.74 0.14 -4.93 116.66 110.38 3ibc n ARG 170 Ca 0.16 -0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 3ibc n ARG 170 Cb 0.07 -0.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.97 3ibc n ARG 170 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ibc h LYS 172 N 4.84 0.34 0.00 0.00 1.79 -1.82 -2.41 116.57 119.32 3ibc h LYS 172 Ca 0.05 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3ibc h LYS 172 Cb 1.05 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 3ibc h LYS 172 CO 0.16 0.23 0.26 1.79 -1.08 0.00 0.00 179.45 180.81 3ibc h THR 173 N 0.35 0.00 -0.16 -0.16 1.35 -1.92 0.30 112.91 112.68 3ibc h THR 173 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 3ibc h THR 173 Cb 0.26 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 3ibc h THR 173 CO -0.25 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.20 3ibc n LEU 174 N -2.33 2.29 -4.71 3.87 4.77 -0.91 -4.10 117.00 115.89 3ibc n LEU 174 Ca -0.01 -1.52 -0.42 0.00 -0.03 0.00 0.00 56.01 54.03 3ibc n LEU 174 Cb 0.29 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3ibc n LEU 174 CO 0.09 0.53 1.42 -0.11 -1.33 0.00 0.00 177.39 177.98 3ibc n LEU 175 N 0.43 4.05 -0.20 2.23 7.94 0.11 -1.49 117.00 130.07 3ibc n LEU 175 Ca 0.08 1.03 -0.03 0.00 -1.11 0.00 0.00 56.01 55.98 3ibc n LEU 175 Cb 0.32 -1.57 -0.01 0.00 0.53 0.00 0.00 43.42 42.69 3ibc n LEU 175 CO 0.06 0.20 -0.02 -0.62 -1.11 0.00 0.00 177.39 175.90 3ibc n GLU 176 N 4.59 -0.56 -4.91 1.96 1.02 -1.26 -5.02 120.64 116.47 3ibc n GLU 176 Ca 0.17 0.38 -0.30 0.00 -0.02 0.00 0.00 57.16 57.39 3ibc n GLU 176 Cb 0.36 -3.97 -0.15 0.00 -0.02 0.00 0.00 31.44 27.66 3ibc n GLU 176 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ibc s LYS 177 N -1.38 1.79 0.28 3.49 1.02 -0.55 -4.97 119.74 119.42 3ibc s LYS 177 Ca 0.00 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 54.59 3ibc s LYS 177 Cb 0.00 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.24 3ibc s LYS 177 CO 0.00 0.51 1.49 -1.25 -0.92 0.00 0.00 175.35 175.18 3ibc s PRO 178 N -1.22 4.21 -0.26 -1.68 0.04 -1.26 -4.90 135.00 129.93 3ibc s PRO 178 Ca 0.12 2.41 0.02 0.00 0.04 0.00 0.00 61.00 63.58 3ibc s PRO 178 Cb -0.10 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.43 3ibc s PRO 178 CO 0.02 -0.48 -0.09 0.15 0.04 0.00 0.00 177.00 176.63 3ibc s LYS 179 N -0.61 2.33 -0.15 4.56 1.02 -1.26 -1.90 119.74 123.73 3ibc s LYS 179 Ca 0.60 -1.30 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 3ibc s LYS 179 Cb -0.44 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 3ibc s LYS 179 CO 0.47 -0.55 0.01 -0.51 -0.92 0.00 0.00 175.35 173.84 3ibc s LEU 180 N 1.14 3.51 -0.12 3.17 1.43 0.80 -5.00 118.68 123.61 3ibc s LEU 180 Ca -0.07 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3ibc s LEU 180 Cb -0.19 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3ibc s LEU 180 CO -0.05 0.20 -0.16 -0.36 0.23 0.00 0.00 176.35 176.21 3ibc s PHE 181 N 0.17 2.15 -0.20 0.29 0.40 -1.26 0.68 117.98 120.20 3ibc s PHE 181 Ca 0.01 -1.07 -0.02 0.00 -0.60 0.00 0.00 56.93 55.25 3ibc s PHE 181 Cb -0.13 -1.54 -0.00 0.00 0.51 0.00 0.00 43.02 41.86 3ibc s PHE 181 CO 0.02 -0.55 -0.10 -0.06 0.70 0.00 0.00 175.22 175.24 3ibc s PHE 182 N 1.06 2.89 -0.18 0.36 0.40 0.11 -4.99 117.98 117.64 3ibc s PHE 182 Ca -0.04 -1.12 0.01 0.00 -0.60 0.00 0.00 56.93 55.18 3ibc s PHE 182 Cb -0.15 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.38 3ibc s PHE 182 CO -0.04 -0.59 -0.20 0.42 0.70 0.00 0.00 175.22 175.51 3ibc s ILE 183 N 1.33 2.04 -0.46 0.64 1.09 -1.26 -0.18 121.20 124.39 3ibc s ILE 183 Ca 0.04 -0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 58.62 3ibc s ILE 183 Cb -0.14 -1.84 0.12 0.00 -1.06 0.00 0.00 42.46 39.54 3ibc s ILE 183 CO -0.05 0.54 0.27 -1.58 -0.10 0.00 0.00 174.94 174.02 3ibc s GLN 184 N 1.27 2.20 0.21 2.79 2.00 0.07 -4.99 119.66 123.21 3ibc s GLN 184 Ca 0.04 -1.91 -0.18 0.00 -2.00 0.00 0.00 55.36 51.31 3ibc s GLN 184 Cb -0.13 -3.69 0.06 0.00 0.80 0.00 0.00 33.01 30.05 3ibc s GLN 184 CO -0.12 -1.12 0.88 0.00 -0.50 0.00 0.00 175.29 174.43 3ibc n ALA 185 N 4.50 -2.23 -2.18 1.58 0.00 -1.26 -2.68 120.51 118.24 3ibc n ALA 185 Ca -0.02 -0.97 -0.24 0.00 0.00 0.00 0.00 53.44 52.21 3ibc n ALA 185 Cb 0.41 0.60 0.02 0.00 0.00 0.00 0.00 19.45 20.48 3ibc n ALA 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ibc n ARG 187 N -2.32 0.38 -3.76 0.00 1.74 -1.26 -2.44 116.66 108.99 3ibc n ARG 187 Ca 0.03 -0.55 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 3ibc n ARG 187 Cb 0.58 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 3ibc n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ibc n GLY 188 N -0.07 -0.83 0.00 -0.13 0.00 -1.26 -2.11 105.19 100.79 3ibc n GLY 188 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 46.02 44.99 3ibc n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ibc n THR 189 N 6.82 0.00 -1.83 2.61 -2.24 -1.26 -4.92 114.28 113.46 3ibc n THR 189 Ca 0.00 -0.37 -0.39 0.00 -2.27 0.00 0.00 64.05 61.02 3ibc n THR 189 Cb 0.00 0.88 0.02 0.00 -2.10 0.00 0.00 70.33 69.14 3ibc n THR 189 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ibc s GLU 190 N -1.35 3.49 0.29 -0.78 2.02 -1.26 -5.03 118.70 116.08 3ibc s GLU 190 Ca 0.00 2.29 0.08 0.00 0.02 0.00 0.00 54.97 57.37 3ibc s GLU 190 Cb 0.01 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 3ibc s GLU 190 CO 0.06 -0.93 0.13 -0.51 0.02 0.00 0.00 175.26 174.03 3ibc s LEU 191 N -3.03 3.44 -0.26 1.80 1.02 -1.26 -5.11 118.68 115.27 3ibc s LEU 191 Ca 0.65 -0.55 -0.04 0.00 0.02 0.00 0.00 54.13 54.21 3ibc s LEU 191 Cb -0.41 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 43.85 3ibc s LEU 191 CO 0.51 -0.13 0.00 -0.62 0.02 0.00 0.00 176.35 176.13 3ibc s ASP 192 N -3.81 4.67 0.13 2.29 -1.08 -1.26 -4.98 116.67 112.62 3ibc s ASP 192 Ca 0.35 -0.73 0.07 0.00 -0.52 0.00 0.00 52.55 51.72 3ibc s ASP 192 Cb -0.06 -1.77 -0.18 0.00 -1.46 0.00 0.00 42.92 39.45 3ibc s ASP 192 CO 0.23 -0.14 1.30 0.44 0.52 0.00 0.00 175.17 177.52 3ibc h ASP 193 N 8.12 0.00 -4.88 -0.34 5.19 -2.06 -3.50 116.42 118.95 3ibc h ASP 193 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3ibc h ASP 193 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 3ibc h ASP 193 CO 0.59 0.98 0.00 0.61 -3.12 0.00 0.00 179.24 178.30 3ibc n GLY 194 N 1.30 -3.40 3.56 2.75 0.00 -1.26 -5.08 105.19 103.07 3ibc n GLY 194 Ca -0.00 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 3ibc n GLY 194 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ibc s ILE 195 N -0.68 0.00 0.00 -0.61 1.10 -1.26 -5.31 121.20 114.43 3ibc s ILE 195 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 3ibc s ILE 195 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 3ibc s ILE 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.83