#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2r h LEU 39 N 0.00 0.64 -0.43 0.99 5.85 -2.03 -2.97 115.31 117.36 2i2r h LEU 39 Ca 0.00 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2i2r h LEU 39 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2i2r h LEU 39 CO 0.00 0.98 0.00 -0.08 -0.34 0.00 0.00 178.44 179.00 2i2r h GLU 40 N 0.30 0.00 0.49 1.25 4.81 -2.01 -1.77 114.58 117.65 2i2r h GLU 40 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2i2r h GLU 40 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2i2r h GLU 40 CO 0.06 0.00 -0.24 1.96 -0.73 0.00 0.00 179.01 180.06 2i2r h GLN 41 N 0.00 -0.64 -1.00 1.92 7.50 -1.99 -2.96 115.11 117.93 2i2r h GLN 41 Ca 0.00 0.04 0.20 0.00 0.50 0.00 0.00 58.65 59.39 2i2r h GLN 41 Cb 0.73 0.15 -0.11 0.00 0.05 0.00 0.00 27.48 28.29 2i2r h GLN 41 CO 0.00 -0.34 0.61 -0.07 -1.50 0.00 0.00 178.83 177.53 2i2r h LEU 42 N -0.99 0.78 -0.40 1.46 3.38 -1.35 0.43 115.31 118.62 2i2r h LEU 42 Ca -0.07 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2i2r h LEU 42 Cb 0.60 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2i2r h LEU 42 CO 0.11 0.26 0.21 -0.08 0.09 0.00 0.00 178.44 179.02 2i2r h GLU 43 N 0.74 0.41 0.45 1.13 4.81 -1.39 -1.49 114.58 119.24 2i2r h GLU 43 Ca 0.59 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.77 2i2r h GLU 43 Cb 0.94 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2i2r h GLU 43 CO -0.39 0.27 -0.21 0.00 -0.73 0.00 0.00 179.01 177.94 2i2r h ALA 44 N 1.21 -0.60 -0.03 2.92 0.00 -0.28 -3.34 119.26 119.13 2i2r h ALA 44 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i2r h ALA 44 Cb 0.07 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2i2r h ALA 44 CO -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 178.50 2i2r n GLN 45 N -5.21 1.10 -4.26 0.00 10.64 0.11 -4.81 117.38 114.96 2i2r n GLN 45 Ca -0.10 -0.13 -0.19 0.00 -1.83 0.00 0.00 57.00 54.76 2i2r n GLN 45 Cb 0.29 -1.16 -0.08 0.00 -0.86 0.00 0.00 30.24 28.44 2i2r n GLN 45 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2i2r s THR 46 N -1.73 0.00 -1.18 -0.39 -4.23 -0.56 -4.98 115.64 102.56 2i2r s THR 46 Ca 0.02 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.67 2i2r s THR 46 Cb 0.01 -2.51 0.44 0.00 1.34 0.00 0.00 72.50 71.78 2i2r s THR 46 CO 0.01 0.00 1.27 0.59 -0.54 0.00 0.00 174.62 175.95 2i2r n ASN 47 N -1.48 3.16 -4.79 3.99 5.03 -1.26 -4.82 115.26 115.08 2i2r n ASN 47 Ca 0.07 -2.31 -0.32 0.00 0.87 0.00 0.00 54.58 52.88 2i2r n ASN 47 Cb 0.62 -0.47 -0.07 0.00 -1.02 0.00 0.00 39.78 38.84 2i2r n ASN 47 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2i2r s PHE 48 N -1.77 3.28 0.67 3.10 0.08 -1.26 -5.07 117.98 117.02 2i2r s PHE 48 Ca 0.31 0.19 -0.11 0.00 0.12 0.00 0.00 56.93 57.44 2i2r s PHE 48 Cb 0.20 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.93 2i2r s PHE 48 CO 0.14 0.55 1.06 0.95 -0.10 0.00 0.00 175.22 177.82 2i2r s THR 49 N -1.24 4.10 0.21 0.64 -4.23 -1.26 -4.54 115.64 109.32 2i2r s THR 49 Ca 0.24 0.68 -0.10 0.00 -1.18 0.00 0.00 61.69 61.34 2i2r s THR 49 Cb -0.12 -3.62 0.14 0.00 1.34 0.00 0.00 72.50 70.24 2i2r s THR 49 CO 0.16 -0.89 1.74 0.11 -0.54 0.00 0.00 174.62 175.19 2i2r h LYS 50 N -0.54 0.37 -0.34 3.99 1.57 -1.93 0.71 116.57 120.40 2i2r h LYS 50 Ca -0.44 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.38 2i2r h LYS 50 Cb 1.22 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.36 2i2r h LYS 50 CO 0.62 0.25 -0.36 -0.09 -0.57 0.00 0.00 179.45 179.29 2i2r h ARG 51 N 0.38 -0.31 -0.09 3.15 2.43 -2.00 -1.25 114.38 116.69 2i2r h ARG 51 Ca 0.30 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2i2r h ARG 51 Cb 0.38 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2i2r h ARG 51 CO -0.31 -0.20 0.04 0.93 -1.51 0.00 0.00 179.97 178.91 2i2r h GLU 52 N -0.32 0.13 -0.85 0.20 5.08 -1.60 -2.48 114.58 114.75 2i2r h GLU 52 Ca 0.14 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.62 2i2r h GLU 52 Cb 0.56 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2i2r h GLU 52 CO -0.51 0.24 0.55 -0.07 -1.00 0.00 0.00 179.01 178.22 2i2r h LEU 53 N -0.00 0.59 -0.29 1.33 3.38 -0.59 -0.33 115.31 119.40 2i2r h LEU 53 Ca 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2i2r h LEU 53 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2i2r h LEU 53 CO -0.00 0.30 0.10 1.56 0.09 0.00 0.00 178.44 180.49 2i2r h GLN 54 N 0.63 0.45 -0.53 1.13 4.20 -0.77 0.15 115.11 120.36 2i2r h GLN 54 Ca 0.42 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 2i2r h GLN 54 Cb 0.73 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 2i2r h GLN 54 CO -0.18 0.49 0.31 0.28 -0.67 0.00 0.00 178.83 179.06 2i2r h VAL 55 N 0.32 1.17 -0.23 -0.54 2.07 -0.90 0.87 116.25 119.00 2i2r h VAL 55 Ca 0.10 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2i2r h VAL 55 Cb 0.22 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2i2r h VAL 55 CO -0.01 0.17 0.15 -0.07 0.02 0.00 0.00 177.57 177.84 2i2r h LEU 56 N 0.71 0.27 -0.60 2.57 3.38 -0.97 -0.60 115.31 120.07 2i2r h LEU 56 Ca 0.19 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2i2r h LEU 56 Cb 0.01 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2i2r h LEU 56 CO -0.03 0.20 0.34 0.22 0.09 0.00 0.00 178.44 179.26 2i2r h TYR 57 N 0.31 0.63 -0.19 1.13 3.20 -0.07 0.86 116.97 122.84 2i2r h TYR 57 Ca 0.09 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 2i2r h TYR 57 Cb -0.03 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2i2r h TYR 57 CO -0.06 0.33 -0.11 0.00 -1.64 0.00 0.00 178.16 176.68 2i2r h ARG 58 N 0.65 0.29 0.93 1.82 3.08 -0.54 0.53 114.38 121.14 2i2r h ARG 58 Ca 0.26 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 2i2r h ARG 58 Cb 0.11 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.13 2i2r h ARG 58 CO -0.14 0.41 -0.45 0.78 -1.07 0.00 0.00 179.97 179.50 2i2r h GLY 59 N 0.76 -1.30 0.59 0.04 0.00 -0.45 -3.01 103.07 99.70 2i2r h GLY 59 Ca 0.06 0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.90 2i2r h GLY 59 CO 0.02 -0.47 -0.12 -2.75 0.00 0.00 0.00 176.54 173.22 2i2r h PHE 60 N -1.29 -0.30 0.00 5.60 3.57 -0.38 -2.39 116.94 121.75 2i2r h PHE 60 Ca -0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2i2r h PHE 60 Cb 0.96 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2i2r h PHE 60 CO -0.00 -0.18 0.00 -0.22 -2.23 0.00 0.00 178.31 175.68 2i2r h LYS 61 N -0.16 0.00 0.01 1.11 3.11 -0.01 -1.04 116.57 119.58 2i2r h LYS 61 Ca 0.07 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.57 2i2r h LYS 61 Cb 0.27 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.44 2i2r h LYS 61 CO -0.18 0.00 -2.09 0.09 -2.81 0.00 0.00 179.45 174.46 2i2r n ASN 62 N -2.39 0.72 0.15 4.20 3.02 -0.93 -3.04 115.26 116.99 2i2r n ASN 62 Ca -0.02 0.17 0.02 0.00 -0.03 0.00 0.00 54.58 54.73 2i2r n ASN 62 Cb 0.04 0.28 0.16 0.00 -0.61 0.00 0.00 39.78 39.65 2i2r n ASN 62 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2i2r h GLU 63 N 0.01 0.00 -2.79 3.52 4.39 -0.91 -3.40 114.58 115.40 2i2r h GLU 63 Ca -0.44 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.08 2i2r h GLU 63 Cb 2.10 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 30.44 2i2r h GLU 63 CO 0.04 0.53 -0.49 0.00 -1.16 0.00 0.00 179.01 177.94 2i2r h PRO 65 N 8.16 1.00 0.00 0.00 0.11 -1.77 -3.18 132.00 136.32 2i2r h PRO 65 Ca -0.17 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2i2r h PRO 65 Cb 1.12 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2i2r h PRO 65 CO 0.15 1.06 0.00 0.45 -0.21 0.00 0.00 178.00 179.45 2i2r n SER 66 N -4.17 0.00 0.00 -2.05 2.88 -1.26 -4.74 113.62 104.28 2i2r n SER 66 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2i2r n SER 66 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2i2r n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2i2r n GLY 67 N -0.90 2.97 3.14 0.46 0.00 -1.20 -4.97 105.19 104.69 2i2r n GLY 67 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2i2r n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2i2r s VAL 68 N -1.14 2.20 -0.45 1.61 -7.23 -1.26 -4.16 120.40 109.98 2i2r s VAL 68 Ca 0.00 -0.90 -0.19 0.00 -1.81 0.00 0.00 61.98 59.08 2i2r s VAL 68 Cb 0.00 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 35.03 2i2r s VAL 68 CO 0.00 0.52 0.55 -0.69 -0.31 0.00 0.00 175.10 175.17 2i2r s VAL 69 N 1.31 4.95 0.70 1.32 1.01 -0.94 -4.96 120.40 123.79 2i2r s VAL 69 Ca 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2i2r s VAL 69 Cb -0.13 -4.16 0.11 0.00 0.00 0.00 0.00 36.38 32.21 2i2r s VAL 69 CO -0.12 -0.57 0.96 0.54 0.00 0.00 0.00 175.10 175.91 2i2r s ASN 70 N 2.07 4.48 0.28 3.32 4.22 -1.26 -2.40 114.94 125.65 2i2r s ASN 70 Ca 0.16 -0.35 0.01 0.00 -2.14 0.00 0.00 52.86 50.54 2i2r s ASN 70 Cb -0.16 -0.10 0.39 0.00 1.28 0.00 0.00 41.25 42.66 2i2r s ASN 70 CO 0.15 -1.76 1.75 -0.08 -2.04 0.00 0.00 177.10 175.12 2i2r h GLU 71 N -0.43 0.62 -0.11 3.55 4.81 -1.95 -1.82 114.58 119.24 2i2r h GLU 71 Ca -0.37 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 2i2r h GLU 71 Cb 1.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2i2r h GLU 71 CO 0.42 0.73 0.07 -0.44 -0.73 0.00 0.00 179.01 179.06 2i2r h ASP 72 N 0.56 0.13 -0.72 1.04 5.19 -1.98 0.58 116.42 121.23 2i2r h ASP 72 Ca 0.10 -0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.55 2i2r h ASP 72 Cb 0.55 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.97 2i2r h ASP 72 CO 0.03 0.12 0.41 0.71 -3.12 0.00 0.00 179.24 177.39 2i2r h THR 73 N 0.14 0.97 -0.51 0.35 1.35 -1.91 -1.99 112.91 111.31 2i2r h THR 73 Ca 0.04 -0.26 0.06 0.00 -0.55 0.00 0.00 66.41 65.71 2i2r h THR 73 Cb 0.01 0.16 -0.05 0.00 -1.73 0.00 0.00 68.15 66.54 2i2r h THR 73 CO -0.01 0.14 0.20 0.15 -0.25 0.00 0.00 175.52 175.75 2i2r h PHE 74 N 0.75 0.36 0.39 4.73 3.04 -0.29 0.34 116.94 126.25 2i2r h PHE 74 Ca 0.32 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.28 2i2r h PHE 74 Cb 0.20 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2i2r h PHE 74 CO -0.07 0.13 -0.19 0.87 -2.02 0.00 0.00 178.31 177.04 2i2r h LYS 75 N 0.40 -0.50 0.00 1.11 1.79 0.35 -3.15 116.57 116.57 2i2r h LYS 75 Ca 0.24 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2i2r h LYS 75 Cb 0.23 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2i2r h LYS 75 CO -0.23 -0.25 0.00 -0.56 -1.08 0.00 0.00 179.45 177.34 2i2r h GLN 76 N -0.69 0.00 0.00 3.15 3.07 -0.93 -1.35 115.11 118.37 2i2r h GLN 76 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2i2r h GLN 76 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 2i2r h GLN 76 CO 0.09 0.00 0.00 0.82 0.09 0.00 0.00 178.83 179.83 2i2r h ILE 77 N 0.00 0.00 0.00 1.86 2.04 -0.30 -2.87 117.51 118.24 2i2r h ILE 77 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2i2r h ILE 77 Cb 0.50 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2i2r h ILE 77 CO 0.00 0.00 -1.20 -1.22 0.00 0.00 0.00 178.15 175.73 2i2r n TYR 78 N -2.87 0.00 -0.37 1.37 4.02 -0.55 -4.34 117.16 114.42 2i2r n TYR 78 Ca 0.01 0.00 0.28 0.00 -0.01 0.00 0.00 57.90 58.18 2i2r n TYR 78 Cb 0.28 -0.14 0.55 0.00 -0.02 0.00 0.00 39.34 40.01 2i2r n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2i2r h ALA 79 N 2.39 2.31 0.04 -0.72 0.00 -1.21 0.10 119.26 122.16 2i2r h ALA 79 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2i2r h ALA 79 Cb 0.58 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2i2r h ALA 79 CO 0.00 -0.87 -0.02 1.96 0.00 0.00 0.00 179.25 180.32 2i2r h GLN 80 N 0.26 -0.05 -0.11 0.00 7.50 -1.76 -3.36 115.11 117.59 2i2r h GLN 80 Ca 0.73 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.90 2i2r h GLN 80 Cb 1.95 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 29.47 2i2r h GLN 80 CO -0.46 0.56 -0.03 1.19 -1.50 0.00 0.00 178.83 178.59 2i2r n PHE 81 N -4.80 0.03 -4.23 2.96 0.99 0.36 -4.05 117.46 108.71 2i2r n PHE 81 Ca -0.09 0.14 -0.18 0.00 -0.00 0.00 0.00 57.45 57.32 2i2r n PHE 81 Cb 0.31 -0.56 -0.13 0.00 -1.00 0.00 0.00 39.48 38.11 2i2r n PHE 81 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 2i2r s PHE 82 N -5.13 1.07 0.00 1.38 0.40 -1.23 -5.12 117.98 109.34 2i2r s PHE 82 Ca -0.02 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2i2r s PHE 82 Cb 0.03 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.93 2i2r s PHE 82 CO 0.09 0.02 0.00 -0.35 0.70 0.00 0.00 175.22 175.67 2i2r n PRO 83 N 1.71 0.00 -2.95 0.24 -0.04 -1.26 -4.29 135.00 128.40 2i2r n PRO 83 Ca -0.19 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 2i2r n PRO 83 Cb 0.55 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 2i2r n PRO 83 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2i2r n HIS 84 N 0.00 2.53 -4.46 0.54 1.44 -1.26 -4.94 115.22 109.07 2i2r n HIS 84 Ca 0.00 -2.75 -0.22 0.00 -2.01 0.00 0.00 57.72 52.73 2i2r n HIS 84 Cb 0.00 -1.15 -0.10 0.00 0.12 0.00 0.00 29.99 28.86 2i2r n HIS 84 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2i2r s GLY 85 N -1.83 2.16 -0.24 -1.39 0.00 -1.26 -4.79 107.32 99.98 2i2r s GLY 85 Ca 0.34 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.19 2i2r s GLY 85 CO 0.04 -1.81 -0.03 -0.35 0.00 0.00 0.00 173.10 170.94 2i2r s ASP 86 N -3.50 3.79 -0.18 1.64 -1.08 -0.11 -4.92 116.67 112.30 2i2r s ASP 86 Ca 0.34 -1.19 0.16 0.00 -0.52 0.00 0.00 52.55 51.34 2i2r s ASP 86 Cb 0.08 -1.12 0.76 0.00 -1.46 0.00 0.00 42.92 41.18 2i2r s ASP 86 CO 0.15 -0.26 1.68 0.00 0.52 0.00 0.00 175.17 177.26 2i2r n ALA 87 N 4.71 3.48 -0.04 3.66 0.00 -1.26 -2.00 120.51 129.05 2i2r n ALA 87 Ca -0.11 -1.82 -0.08 0.00 0.00 0.00 0.00 53.44 51.44 2i2r n ALA 87 Cb 0.44 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 2i2r n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i2r h SER 88 N 3.87 -0.56 -0.19 0.00 0.87 -1.91 -1.38 113.55 114.25 2i2r h SER 88 Ca 0.00 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 2i2r h SER 88 Cb 1.72 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.95 2i2r h SER 88 CO 0.36 -0.22 -0.36 0.71 -0.53 0.00 0.00 176.83 176.80 2i2r h THR 89 N -0.18 1.29 -0.49 2.23 1.35 -1.88 -2.97 112.91 112.26 2i2r h THR 89 Ca 0.13 -1.52 -0.11 0.00 -0.55 0.00 0.00 66.41 64.37 2i2r h THR 89 Cb 0.37 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 2i2r h THR 89 CO -0.33 0.49 -0.11 0.22 -0.25 0.00 0.00 175.52 175.54 2i2r h TYR 90 N 0.59 1.02 -1.02 4.73 3.20 -1.67 -2.64 116.97 121.18 2i2r h TYR 90 Ca 0.06 -0.20 0.26 0.00 3.14 0.00 0.00 58.73 61.99 2i2r h TYR 90 Cb 0.89 -0.26 -0.12 0.00 1.54 0.00 0.00 36.73 38.78 2i2r h TYR 90 CO 0.04 0.97 0.61 0.00 -1.64 0.00 0.00 178.16 178.14 2i2r h ALA 91 N 1.05 1.91 -0.33 1.82 0.00 -1.08 0.95 119.26 123.57 2i2r h ALA 91 Ca 0.13 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2i2r h ALA 91 Cb 0.64 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2i2r h ALA 91 CO 0.04 -0.40 0.03 1.25 0.00 0.00 0.00 179.25 180.18 2i2r h HIS 92 N 0.50 0.60 -0.46 0.00 -0.00 -1.49 0.12 115.15 114.42 2i2r h HIS 92 Ca 0.66 -0.09 -0.13 0.00 -0.00 0.00 0.00 60.37 60.80 2i2r h HIS 92 Cb 1.37 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 2i2r h HIS 92 CO -0.01 0.65 -0.22 1.88 -0.00 0.00 0.00 177.93 180.24 2i2r h TYR 93 N 0.38 1.11 -0.63 5.26 -1.99 -1.23 -2.46 116.97 117.41 2i2r h TYR 93 Ca 0.10 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.56 2i2r h TYR 93 Cb 0.39 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.83 2i2r h TYR 93 CO 0.03 1.09 0.41 1.25 -0.00 0.00 0.00 178.16 180.94 2i2r h LEU 94 N 0.81 0.73 0.84 3.88 5.85 -0.68 -2.43 115.31 124.32 2i2r h LEU 94 Ca 0.10 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2i2r h LEU 94 Cb 0.79 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.65 2i2r h LEU 94 CO 0.07 0.54 -0.40 0.15 -0.34 0.00 0.00 178.44 178.45 2i2r h PHE 95 N 0.86 -1.05 -0.04 1.25 3.57 -0.50 -2.62 116.94 118.40 2i2r h PHE 95 Ca 0.23 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2i2r h PHE 95 Cb -0.09 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2i2r h PHE 95 CO -0.03 -0.65 0.00 0.27 -2.23 0.00 0.00 178.31 175.67 2i2r n ASN 96 N -5.08 1.27 0.07 0.41 0.23 -0.95 -0.51 115.26 110.70 2i2r n ASN 96 Ca -0.14 -2.06 -0.11 0.00 -0.53 0.00 0.00 54.58 51.73 2i2r n ASN 96 Cb 0.45 -0.47 -0.13 0.00 -2.08 0.00 0.00 39.78 37.54 2i2r n ASN 96 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2i2r h ALA 97 N 2.23 0.29 -3.00 -2.53 0.00 -1.04 -3.44 119.26 111.77 2i2r h ALA 97 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2i2r h ALA 97 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2i2r h ALA 97 CO 0.03 1.17 0.00 1.19 0.00 0.00 0.00 179.25 181.64 2i2r n PHE 98 N -3.40 0.00 -2.52 0.00 3.01 0.33 -4.70 117.46 110.18 2i2r n PHE 98 Ca -0.06 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.35 2i2r n PHE 98 Cb 0.99 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.45 2i2r n PHE 98 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2i2r n ASP 99 N 0.00 -0.98 -0.06 4.37 9.92 -1.23 -4.82 116.55 123.76 2i2r n ASP 99 Ca 0.00 0.23 -0.02 0.00 -0.53 0.00 0.00 54.79 54.47 2i2r n ASP 99 Cb 0.00 -0.95 0.24 0.00 -0.64 0.00 0.00 41.12 39.77 2i2r n ASP 99 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2i2r h THR 100 N -0.10 1.21 0.00 -3.53 2.02 -1.92 0.27 112.91 110.86 2i2r h THR 100 Ca -0.07 -0.84 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 2i2r h THR 100 Cb 0.92 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2i2r h THR 100 CO 0.11 0.30 -0.32 0.74 0.37 0.00 0.00 175.52 176.72 2i2r h THR 101 N 0.64 0.98 -5.56 3.16 2.02 -1.95 -3.47 112.91 108.73 2i2r h THR 101 Ca 0.14 -1.19 -0.36 0.00 0.77 0.00 0.00 66.41 65.77 2i2r h THR 101 Cb 0.34 1.69 0.14 0.00 -1.74 0.00 0.00 68.15 68.58 2i2r h THR 101 CO 0.01 0.31 -0.67 0.00 0.37 0.00 0.00 175.52 175.54 2i2r n GLN 102 N -3.81 -7.21 -0.94 6.66 1.13 0.96 -4.94 117.38 109.24 2i2r n GLN 102 Ca -0.01 0.79 -0.08 0.00 -1.94 0.00 0.00 57.00 55.76 2i2r n GLN 102 Cb 0.40 -5.71 0.24 0.00 0.11 0.00 0.00 30.24 25.28 2i2r n GLN 102 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2i2r n THR 103 N -4.62 2.81 0.00 5.09 5.66 -1.26 -4.95 114.28 117.02 2i2r n THR 103 Ca -0.08 -2.08 0.00 0.00 -3.05 0.00 0.00 64.05 58.85 2i2r n THR 103 Cb 0.59 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 2i2r n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2i2r n GLY 104 N -0.75 1.21 3.18 1.09 0.00 -1.26 -4.91 105.19 103.75 2i2r n GLY 104 Ca 0.41 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 2i2r n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i2r s SER 105 N 0.00 1.28 -0.34 1.61 0.15 -1.26 -4.99 113.70 110.15 2i2r s SER 105 Ca 0.00 -0.97 -0.15 0.00 0.70 0.00 0.00 55.95 55.53 2i2r s SER 105 Cb 0.00 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.36 2i2r s SER 105 CO 0.00 -0.41 0.33 0.68 1.20 0.00 0.00 173.24 175.04 2i2r s VAL 106 N -3.38 5.20 0.65 4.45 -7.23 -1.01 -4.89 120.40 114.20 2i2r s VAL 106 Ca 0.11 -0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 60.16 2i2r s VAL 106 Cb 0.03 -3.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.18 2i2r s VAL 106 CO -0.03 -0.07 1.02 -1.59 -0.31 0.00 0.00 175.10 174.12 2i2r s LYS 107 N 1.93 3.06 0.25 4.82 -2.85 -1.26 -2.20 119.74 123.49 2i2r s LYS 107 Ca 0.10 0.39 -0.03 0.00 -1.00 0.00 0.00 55.97 55.43 2i2r s LYS 107 Cb -0.17 -2.11 0.46 0.00 -2.06 0.00 0.00 37.83 33.95 2i2r s LYS 107 CO 0.11 -0.81 1.77 0.35 0.10 0.00 0.00 175.35 176.87 2i2r h PHE 108 N -0.42 0.73 -0.87 1.78 3.57 -1.99 -2.23 116.94 117.51 2i2r h PHE 108 Ca -0.45 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.16 2i2r h PHE 108 Cb 1.24 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 2i2r h PHE 108 CO 0.53 0.21 0.56 1.05 -2.23 0.00 0.00 178.31 178.44 2i2r h GLU 109 N 0.63 0.89 0.34 1.11 9.09 -1.96 0.11 114.58 124.79 2i2r h GLU 109 Ca 0.42 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 59.76 2i2r h GLU 109 Cb 0.53 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 2i2r h GLU 109 CO -0.32 0.59 -0.16 -0.44 0.05 0.00 0.00 179.01 178.72 2i2r h ASP 110 N 0.91 -0.39 -0.97 3.06 3.32 -1.80 -2.06 116.42 118.50 2i2r h ASP 110 Ca 0.39 0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.63 2i2r h ASP 110 Cb 0.31 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.87 2i2r h ASP 110 CO -0.15 -0.27 0.61 0.15 -1.72 0.00 0.00 179.24 177.85 2i2r h PHE 111 N -0.46 0.91 0.12 4.55 3.57 -0.69 -1.18 116.94 123.77 2i2r h PHE 111 Ca -0.05 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.21 2i2r h PHE 111 Cb 0.35 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2i2r h PHE 111 CO -0.05 0.25 -1.23 -0.39 -2.23 0.00 0.00 178.31 174.65 2i2r h VAL 112 N 0.69 1.50 0.45 1.41 -1.51 -0.73 -2.49 116.25 115.56 2i2r h VAL 112 Ca 0.53 -3.04 -0.02 0.00 -1.23 0.00 0.00 66.70 62.94 2i2r h VAL 112 Cb 0.91 2.93 -0.00 0.00 -2.13 0.00 0.00 31.29 32.99 2i2r h VAL 112 CO -0.29 0.89 -0.27 0.74 -1.23 0.00 0.00 177.57 177.40 2i2r h THR 113 N 0.08 0.43 -0.89 7.19 2.02 -1.04 0.71 112.91 121.42 2i2r h THR 113 Ca -0.13 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.21 2i2r h THR 113 Cb 1.96 0.43 -0.16 0.00 -1.74 0.00 0.00 68.15 68.64 2i2r h THR 113 CO 0.20 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.80 2i2r h ALA 114 N -0.18 0.37 -0.20 6.16 0.00 -1.30 0.52 119.26 124.64 2i2r h ALA 114 Ca -0.05 0.30 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2i2r h ALA 114 Cb 0.56 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2i2r h ALA 114 CO 0.05 -0.50 -0.43 -0.07 0.00 0.00 0.00 179.25 178.30 2i2r h LEU 115 N -0.02 0.51 -1.39 0.00 3.38 -1.15 -0.39 115.31 116.25 2i2r h LEU 115 Ca 0.38 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2i2r h LEU 115 Cb 0.63 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2i2r h LEU 115 CO -0.91 0.88 -0.19 -1.28 0.09 0.00 0.00 178.44 177.02 2i2r h SER 116 N 0.40 0.15 0.10 -0.43 0.87 0.38 0.66 113.55 115.68 2i2r h SER 116 Ca 0.03 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2i2r h SER 116 Cb 0.92 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2i2r h SER 116 CO 0.08 0.36 -0.05 0.40 -0.53 0.00 0.00 176.83 177.09 2i2r h ILE 117 N 0.15 1.02 -0.19 2.23 2.04 0.18 -1.68 117.51 121.26 2i2r h ILE 117 Ca 0.03 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 2i2r h ILE 117 Cb 0.44 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2i2r h ILE 117 CO 0.03 0.28 -0.02 -0.07 0.00 0.00 0.00 178.15 178.37 2i2r h LEU 118 N -0.85 0.26 0.00 1.44 4.07 -0.87 -1.20 115.31 118.16 2i2r h LEU 118 Ca -0.01 -0.03 -0.11 0.00 0.08 0.00 0.00 57.88 57.80 2i2r h LEU 118 Cb 0.57 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 2i2r h LEU 118 CO 0.02 0.33 -2.11 0.18 -1.08 0.00 0.00 178.44 175.78 2i2r n LEU 119 N -4.36 0.00 0.00 1.67 4.77 0.21 -4.79 117.00 114.49 2i2r n LEU 119 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2i2r n LEU 119 Cb 0.19 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2i2r n LEU 119 CO 0.37 0.15 -0.20 0.54 -1.33 0.00 0.00 177.39 176.91 2i2r n ARG 120 N -2.40 2.24 -0.62 3.23 5.12 -0.95 -4.31 116.66 118.97 2i2r n ARG 120 Ca -0.12 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.48 2i2r n ARG 120 Cb 0.74 -0.70 0.20 0.00 -1.16 0.00 0.00 32.46 31.53 2i2r n ARG 120 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i2r n GLY 121 N 1.35 -2.42 3.74 -0.13 0.00 -0.46 -4.98 105.19 102.30 2i2r n GLY 121 Ca 0.00 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 2i2r n GLY 121 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2i2r s THR 122 N -2.27 2.61 0.19 2.61 -1.32 -1.26 -4.77 115.64 111.43 2i2r s THR 122 Ca 0.59 0.31 -0.15 0.00 -1.21 0.00 0.00 61.69 61.22 2i2r s THR 122 Cb -0.15 -2.90 0.16 0.00 -1.51 0.00 0.00 72.50 68.10 2i2r s THR 122 CO 0.66 -0.15 1.65 0.58 -2.21 0.00 0.00 174.62 175.15 2i2r h VAL 123 N 0.00 0.49 -0.55 5.08 2.07 -1.96 0.14 116.25 121.53 2i2r h VAL 123 Ca -0.48 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.15 2i2r h VAL 123 Cb 1.28 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 31.44 2i2r h VAL 123 CO 0.52 0.00 -0.20 -0.74 0.02 0.00 0.00 177.57 177.16 2i2r h HIS 124 N -0.00 -0.49 -0.69 1.57 -0.00 -1.98 0.71 115.15 114.26 2i2r h HIS 124 Ca 0.24 0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.61 2i2r h HIS 124 Cb 0.37 0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 28.05 2i2r h HIS 124 CO -0.43 -0.30 0.22 0.93 -0.00 0.00 0.00 177.93 178.35 2i2r h GLU 125 N -0.07 1.08 -0.38 5.26 5.08 -1.19 0.17 114.58 124.52 2i2r h GLU 125 Ca 0.26 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2i2r h GLU 125 Cb 0.47 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2i2r h GLU 125 CO -0.60 0.93 -0.36 0.87 -1.00 0.00 0.00 179.01 178.84 2i2r h LYS 126 N 1.02 0.91 -0.10 2.33 1.57 -0.46 -1.90 116.57 119.95 2i2r h LYS 126 Ca 0.22 -0.46 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 2i2r h LYS 126 Cb 0.30 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2i2r h LYS 126 CO -0.01 1.12 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.72 2i2r h LEU 127 N 0.75 0.34 -1.36 2.94 3.38 -0.60 -2.60 115.31 118.15 2i2r h LEU 127 Ca 0.07 -0.56 0.09 0.00 0.09 0.00 0.00 57.88 57.56 2i2r h LEU 127 Cb 0.95 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 2i2r h LEU 127 CO 0.09 0.84 0.50 -0.09 0.09 0.00 0.00 178.44 179.87 2i2r h ARG 128 N -0.14 0.71 -0.55 1.13 2.43 -0.66 -0.38 114.38 116.91 2i2r h ARG 128 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2i2r h ARG 128 Cb 0.78 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2i2r h ARG 128 CO 0.04 0.47 0.20 2.35 -1.51 0.00 0.00 179.97 181.52 2i2r h TRP 129 N 0.73 0.86 -0.50 2.20 7.01 -1.13 -1.42 115.95 123.70 2i2r h TRP 129 Ca 0.35 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 61.20 2i2r h TRP 129 Cb 0.39 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 2i2r h TRP 129 CO -0.00 0.71 0.01 1.15 -2.79 0.00 0.00 178.44 177.52 2i2r h THR 130 N 0.75 1.26 -0.67 2.65 2.02 -0.97 -2.86 112.91 115.11 2i2r h THR 130 Ca 0.18 -1.06 0.05 0.00 0.77 0.00 0.00 66.41 66.35 2i2r h THR 130 Cb 0.24 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 2i2r h THR 130 CO -0.01 0.37 0.38 0.15 0.37 0.00 0.00 175.52 176.79 2i2r h PHE 131 N 0.74 0.71 0.00 3.16 3.57 -0.56 -1.09 116.94 123.47 2i2r h PHE 131 Ca 0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2i2r h PHE 131 Cb 0.50 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2i2r h PHE 131 CO 0.04 0.36 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.39 2i2r h ASN 132 N 0.72 0.00 -0.16 0.41 2.35 -1.15 0.93 115.58 118.69 2i2r h ASN 132 Ca 0.29 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 2i2r h ASN 132 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 2i2r h ASN 132 CO -0.16 0.18 -0.26 0.25 -1.65 0.00 0.00 177.43 175.79 2i2r h LEU 133 N 0.00 0.50 -0.35 1.61 5.85 -1.02 -3.29 115.31 118.61 2i2r h LEU 133 Ca -0.00 -0.53 -0.11 0.00 0.84 0.00 0.00 57.88 58.08 2i2r h LEU 133 Cb 0.50 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2i2r h LEU 133 CO 0.02 0.94 -0.20 1.88 -0.34 0.00 0.00 178.44 180.74 2i2r h TYR 134 N 0.08 0.88 -0.53 1.25 0.05 -0.57 -3.37 116.97 114.76 2i2r h TYR 134 Ca 0.01 -0.23 -0.34 0.00 0.05 0.00 0.00 58.73 58.23 2i2r h TYR 134 Cb 0.84 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.34 2i2r h TYR 134 CO 0.09 0.96 1.04 0.34 -1.05 0.00 0.00 178.16 179.55 2i2r s ASP 135 N -6.49 5.11 0.10 3.88 2.15 0.26 -4.77 116.67 116.92 2i2r s ASP 135 Ca -0.12 -1.50 -0.25 0.00 0.43 0.00 0.00 52.55 51.11 2i2r s ASP 135 Cb 0.10 -2.58 -0.10 0.00 -0.30 0.00 0.00 42.92 40.03 2i2r s ASP 135 CO 0.83 -2.95 1.68 0.40 -0.17 0.00 0.00 175.17 174.95 2i2r h ILE 136 N 6.37 0.65 -0.12 4.11 2.04 -1.80 -2.84 117.51 125.92 2i2r h ILE 136 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2i2r h ILE 136 Cb 0.95 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2i2r h ILE 136 CO 1.23 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 178.92 2i2r n ASN 137 N -5.28 1.34 -3.40 1.72 2.04 -1.26 -4.94 115.26 105.49 2i2r n ASN 137 Ca -0.07 -2.09 -0.32 0.00 -0.44 0.00 0.00 54.58 51.66 2i2r n ASN 137 Cb 0.20 -0.34 0.03 0.00 -2.53 0.00 0.00 39.78 37.14 2i2r n ASN 137 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2i2r n LYS 138 N 0.01 -1.98 0.00 -3.83 4.01 -1.07 -4.96 118.16 110.34 2i2r n LYS 138 Ca 0.05 1.52 0.00 0.00 -0.51 0.00 0.00 58.31 59.36 2i2r n LYS 138 Cb 0.28 -2.83 0.00 0.00 -0.51 0.00 0.00 35.03 31.98 2i2r n LYS 138 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2i2r n ASP 139 N -0.42 0.00 -0.05 4.39 5.68 -1.26 -5.02 116.55 119.87 2i2r n ASP 139 Ca -0.06 -1.00 -0.01 0.00 -0.50 0.00 0.00 54.79 53.22 2i2r n ASP 139 Cb 0.64 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.62 2i2r n ASP 139 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i2r n GLY 140 N 0.00 0.48 3.02 6.12 0.00 -1.26 -5.00 105.19 108.55 2i2r n GLY 140 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 2i2r n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i2r s TYR 141 N -1.94 1.42 -0.27 1.61 4.12 -1.26 -4.05 117.35 116.98 2i2r s TYR 141 Ca 0.00 -0.51 -0.07 0.00 0.02 0.00 0.00 57.07 56.51 2i2r s TYR 141 Cb 0.00 -1.04 -0.01 0.00 -1.52 0.00 0.00 41.96 39.39 2i2r s TYR 141 CO 0.00 -0.26 0.08 0.42 0.02 0.00 0.00 175.55 175.81 2i2r s ILE 142 N 0.62 4.18 0.19 2.71 1.01 -0.51 -4.73 121.20 124.67 2i2r s ILE 142 Ca -0.14 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.22 2i2r s ILE 142 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2i2r s ILE 142 CO 0.03 0.24 -0.03 0.54 0.00 0.00 0.00 174.94 175.72 2i2r s ASN 143 N 1.57 4.61 0.28 3.58 4.22 -1.26 -1.89 114.94 126.05 2i2r s ASN 143 Ca 0.05 -0.47 -0.04 0.00 -2.14 0.00 0.00 52.86 50.26 2i2r s ASN 143 Cb -0.16 -0.92 0.56 0.00 1.28 0.00 0.00 41.25 42.01 2i2r s ASN 143 CO 0.03 0.08 1.49 2.29 -2.04 0.00 0.00 177.10 178.96 2i2r n LYS 144 N -0.16 -0.08 -0.34 3.55 -0.00 -1.26 -0.80 118.16 119.06 2i2r n LYS 144 Ca -0.10 1.47 -0.01 0.00 -0.00 0.00 0.00 58.31 59.67 2i2r n LYS 144 Cb 0.56 -2.25 0.03 0.00 -0.00 0.00 0.00 35.03 33.37 2i2r n LYS 144 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2i2r n GLU 145 N -5.50 -0.21 0.05 -1.58 -0.58 -1.26 -1.76 120.64 109.80 2i2r n GLU 145 Ca 0.18 1.35 0.11 0.00 -0.42 0.00 0.00 57.16 58.39 2i2r n GLU 145 Cb 0.58 -2.01 -0.06 0.00 -0.57 0.00 0.00 31.44 29.39 2i2r n GLU 145 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2i2r n GLU 146 N -5.29 0.57 -0.04 3.49 0.28 0.02 -3.52 120.64 116.14 2i2r n GLU 146 Ca 0.09 -0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 2i2r n GLU 146 Cb 0.35 -1.68 -0.01 0.00 1.43 0.00 0.00 31.44 31.53 2i2r n GLU 146 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 2i2r h MET 147 N 0.00 0.75 -0.40 3.44 4.05 -1.20 -2.82 114.93 118.75 2i2r h MET 147 Ca 0.00 -0.50 0.07 0.00 -0.28 0.00 0.00 59.70 58.99 2i2r h MET 147 Cb 0.95 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.76 2i2r h MET 147 CO 0.00 1.13 -0.01 0.52 0.23 0.00 0.00 176.91 178.77 2i2r h MET 148 N 0.56 0.09 -0.46 0.39 2.86 -1.43 -1.50 114.93 115.43 2i2r h MET 148 Ca -0.00 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2i2r h MET 148 Cb 1.19 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.76 2i2r h MET 148 CO 0.12 0.06 -0.03 -0.44 1.06 0.00 0.00 176.91 177.69 2i2r h ASP 149 N 0.09 -0.25 0.30 1.22 3.45 -1.57 0.32 116.42 119.98 2i2r h ASP 149 Ca 0.20 0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.76 2i2r h ASP 149 Cb 0.28 0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2i2r h ASP 149 CO -0.34 -0.08 -0.14 0.40 -1.57 0.00 0.00 179.24 177.50 2i2r h ILE 150 N 0.09 0.71 -0.14 0.35 1.08 -1.19 0.14 117.51 118.56 2i2r h ILE 150 Ca 0.23 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.64 2i2r h ILE 150 Cb 0.34 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 2i2r h ILE 150 CO -0.41 0.01 0.07 0.58 -0.69 0.00 0.00 178.15 177.71 2i2r h VAL 151 N -0.43 1.12 -0.68 1.67 2.07 -0.96 0.86 116.25 119.90 2i2r h VAL 151 Ca -0.04 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.21 2i2r h VAL 151 Cb 0.33 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2i2r h VAL 151 CO 0.07 0.11 0.36 0.11 0.02 0.00 0.00 177.57 178.23 2i2r h LYS 152 N 0.10 0.62 -0.16 1.57 6.56 -0.89 -0.16 116.57 124.20 2i2r h LYS 152 Ca 0.05 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 2i2r h LYS 152 Cb 0.11 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 2i2r h LYS 152 CO -0.01 0.41 -0.00 0.00 -2.06 0.00 0.00 179.45 177.79 2i2r h ALA 153 N 1.38 1.70 0.10 3.86 0.00 0.26 0.12 119.26 126.67 2i2r h ALA 153 Ca 0.31 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2i2r h ALA 153 Cb 0.26 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2i2r h ALA 153 CO -0.22 0.23 -0.58 0.82 0.00 0.00 0.00 179.25 179.50 2i2r h ILE 154 N 0.23 1.59 -0.94 0.00 2.04 -0.46 -2.99 117.51 116.97 2i2r h ILE 154 Ca 0.05 -2.46 0.18 0.00 1.00 0.00 0.00 64.86 63.64 2i2r h ILE 154 Cb 0.17 3.22 -0.11 0.00 -0.74 0.00 0.00 36.82 39.37 2i2r h ILE 154 CO 0.00 0.68 0.52 1.88 0.00 0.00 0.00 178.15 181.23 2i2r h TYR 155 N -0.53 0.91 -0.56 1.37 -1.99 -0.77 0.23 116.97 115.62 2i2r h TYR 155 Ca -0.10 0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 2i2r h TYR 155 Cb 1.45 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 39.90 2i2r h TYR 155 CO 0.22 0.17 0.19 -0.44 -0.00 0.00 0.00 178.16 178.29 2i2r h ASP 156 N 0.65 0.81 -0.01 3.88 3.32 -0.86 1.24 116.42 125.46 2i2r h ASP 156 Ca 0.54 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2i2r h ASP 156 Cb 0.86 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 2i2r h ASP 156 CO -0.40 0.79 0.19 -0.03 -1.72 0.00 0.00 179.24 178.07 2i2r h MET 157 N 0.78 0.00 0.00 3.56 4.05 0.08 -0.23 114.93 123.17 2i2r h MET 157 Ca 0.18 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.40 2i2r h MET 157 Cb 0.26 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2i2r h MET 157 CO -0.01 0.00 -1.57 0.00 0.23 0.00 0.00 176.91 175.56 2i2r n MET 158 N -3.01 0.32 0.00 0.39 -0.00 -0.73 -3.77 117.12 110.31 2i2r n MET 158 Ca -0.02 0.14 0.00 0.00 -0.00 0.00 0.00 57.70 57.81 2i2r n MET 158 Cb 0.25 -1.03 0.00 0.00 -0.00 0.00 0.00 33.22 32.44 2i2r n MET 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2i2r n GLY 159 N 2.12 0.94 0.00 3.17 0.00 0.42 -4.05 105.19 107.79 2i2r n GLY 159 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2i2r n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2r n ALA 167 N -0.25 0.00 0.48 4.61 0.00 -1.26 -4.80 120.51 119.30 2i2r n ALA 167 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2i2r n ALA 167 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2i2r n ALA 167 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2i2r h GLU 168 N 0.00 -1.19 0.00 0.00 4.11 -2.04 -3.48 114.58 111.98 2i2r h GLU 168 Ca 0.00 0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.51 2i2r h GLU 168 Cb 0.00 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2i2r h GLU 168 CO 0.00 -0.80 0.00 -0.40 0.07 0.00 0.00 179.01 177.88 2i2r n ASP 169 N -5.63 -1.15 -4.72 3.06 5.75 -1.26 -5.16 116.55 107.44 2i2r n ASP 169 Ca -0.16 0.38 -0.36 0.00 -0.01 0.00 0.00 54.79 54.64 2i2r n ASP 169 Cb 0.50 1.31 0.08 0.00 -1.03 0.00 0.00 41.12 41.98 2i2r n ASP 169 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2i2r s THR 170 N -1.53 2.01 -0.13 2.12 -4.23 -1.26 -5.00 115.64 107.62 2i2r s THR 170 Ca 0.00 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 2i2r s THR 170 Cb 0.00 -2.88 -0.25 0.00 1.34 0.00 0.00 72.50 70.71 2i2r s THR 170 CO 0.00 -0.00 0.32 -0.81 -0.54 0.00 0.00 174.62 173.59 2i2r n PRO 171 N -2.19 0.73 0.00 3.99 -0.05 -1.26 -4.01 135.00 132.21 2i2r n PRO 171 Ca 0.15 0.25 -0.10 0.00 -0.05 0.00 0.00 63.50 63.75 2i2r n PRO 171 Cb 0.48 -1.69 -0.04 0.00 -0.05 0.00 0.00 33.50 32.20 2i2r n PRO 171 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2i2r h ARG 172 N 0.05 -0.09 -0.28 0.54 -0.00 -1.98 -2.04 114.38 110.58 2i2r h ARG 172 Ca -0.43 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.06 2i2r h ARG 172 Cb 2.02 0.02 0.00 0.00 0.00 0.00 0.00 29.97 32.01 2i2r h ARG 172 CO 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 179.97 179.97 2i2r n GLN 173 N -5.22 0.35 0.00 0.04 10.64 -1.26 -2.09 117.38 119.84 2i2r n GLN 173 Ca -0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 2i2r n GLN 173 Cb 0.14 -1.14 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 2i2r n GLN 173 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 2i2r n HIS 174 N 0.16 0.00 -0.20 2.61 -0.00 -0.79 -4.24 115.22 112.76 2i2r n HIS 174 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 2i2r n HIS 174 Cb 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.17 2i2r n HIS 174 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2i2r h VAL 175 N 0.00 1.25 -0.39 3.57 2.07 -1.29 -2.90 116.25 118.56 2i2r h VAL 175 Ca 0.00 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2i2r h VAL 175 Cb 0.96 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2i2r h VAL 175 CO 0.00 0.35 0.21 0.44 0.02 0.00 0.00 177.57 178.60 2i2r h ASP 176 N 0.95 0.50 -0.70 0.57 3.32 -1.66 0.37 116.42 119.77 2i2r h ASP 176 Ca 0.20 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2i2r h ASP 176 Cb 0.36 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2i2r h ASP 176 CO 0.00 0.45 0.37 -0.37 -1.72 0.00 0.00 179.24 177.97 2i2r h VAL 177 N 0.50 1.22 0.38 -1.35 -1.51 -1.73 -1.09 116.25 112.67 2i2r h VAL 177 Ca 0.14 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 2i2r h VAL 177 Cb 0.07 0.31 -0.03 0.00 -2.13 0.00 0.00 31.29 29.51 2i2r h VAL 177 CO -0.02 0.25 -0.48 0.15 -1.23 0.00 0.00 177.57 176.24 2i2r h PHE 178 N 0.97 -1.34 -0.53 5.19 3.04 -1.26 -2.46 116.94 120.54 2i2r h PHE 178 Ca 0.25 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.21 2i2r h PHE 178 Cb 0.06 0.54 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 2i2r h PHE 178 CO -0.00 -0.61 0.31 0.74 -2.02 0.00 0.00 178.31 176.72 2i2r h PHE 179 N -0.88 0.71 0.00 0.41 -1.00 -0.86 -0.49 116.94 114.82 2i2r h PHE 179 Ca -0.05 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2i2r h PHE 179 Cb 0.79 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.12 2i2r h PHE 179 CO -0.29 0.50 0.00 1.04 -1.61 0.00 0.00 178.31 177.95 2i2r n GLN 180 N -4.66 0.09 -0.54 1.51 6.02 -0.42 -0.84 117.38 118.54 2i2r n GLN 180 Ca 0.03 0.37 0.06 0.00 -0.01 0.00 0.00 57.00 57.44 2i2r n GLN 180 Cb 0.07 -1.68 0.11 0.00 1.02 0.00 0.00 30.24 29.76 2i2r n GLN 180 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2i2r n LYS 181 N -1.84 0.89 0.00 -1.09 2.85 -0.93 -4.82 118.16 113.21 2i2r n LYS 181 Ca 0.02 -2.36 0.00 0.00 -1.05 0.00 0.00 58.31 54.92 2i2r n LYS 181 Cb 0.17 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 2i2r n LYS 181 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2i2r n MET 182 N -0.74 0.00 -2.15 -1.58 0.00 -0.23 -4.98 117.12 107.44 2i2r n MET 182 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.47 2i2r n MET 182 Cb 0.75 -0.04 -0.04 0.00 0.00 0.00 0.00 33.22 33.89 2i2r n MET 182 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2i2r s ASP 183 N -4.91 5.44 0.08 6.12 2.15 -0.02 -4.68 116.67 120.85 2i2r s ASP 183 Ca 0.00 -0.26 -0.37 0.00 0.43 0.00 0.00 52.55 52.36 2i2r s ASP 183 Cb 0.00 -2.55 -0.18 0.00 -0.30 0.00 0.00 42.92 39.89 2i2r s ASP 183 CO 0.00 -2.36 1.56 0.50 -0.17 0.00 0.00 175.17 174.71 2i2r h LYS 184 N 12.69 -1.08 -0.00 4.34 3.64 -1.90 -3.23 116.57 131.03 2i2r h LYS 184 Ca -0.10 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2i2r h LYS 184 Cb 1.08 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2i2r h LYS 184 CO 1.24 -0.72 -0.12 0.27 -2.27 0.00 0.00 179.45 177.85 2i2r n ASN 185 N -5.60 0.36 -0.41 4.20 6.94 -1.26 -4.93 115.26 114.56 2i2r n ASN 185 Ca -0.14 -0.36 -0.02 0.00 -0.02 0.00 0.00 54.58 54.05 2i2r n ASN 185 Cb 0.49 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 2i2r n ASN 185 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2i2r n LYS 186 N -1.11 -0.31 -0.16 -3.83 4.01 -1.22 -4.96 118.16 110.57 2i2r n LYS 186 Ca 0.13 0.06 0.10 0.00 -0.51 0.00 0.00 58.31 58.09 2i2r n LYS 186 Cb 0.29 -3.24 0.28 0.00 -0.51 0.00 0.00 35.03 31.85 2i2r n LYS 186 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2i2r n ASP 187 N 1.49 2.38 -0.22 4.39 3.85 -1.26 -4.92 116.55 122.26 2i2r n ASP 187 Ca -0.01 -1.88 -0.03 0.00 -0.71 0.00 0.00 54.79 52.16 2i2r n ASP 187 Cb 0.51 -0.21 -0.01 0.00 -1.35 0.00 0.00 41.12 40.05 2i2r n ASP 187 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2i2r n GLY 188 N 1.26 0.55 2.78 6.12 0.00 -1.26 -4.98 105.19 109.66 2i2r n GLY 188 Ca 0.17 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 2i2r n GLY 188 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2i2r s ILE 189 N -1.85 0.25 -0.23 -0.61 -1.16 -1.26 -4.38 121.20 111.95 2i2r s ILE 189 Ca 0.00 0.14 -0.07 0.00 -0.51 0.00 0.00 60.65 60.21 2i2r s ILE 189 Cb 0.00 -0.39 -0.03 0.00 0.61 0.00 0.00 42.46 42.65 2i2r s ILE 189 CO 0.00 0.21 0.05 0.54 -2.81 0.00 0.00 174.94 172.93 2i2r s VAL 190 N 1.61 4.22 0.45 4.00 0.11 -0.79 -4.90 120.40 125.11 2i2r s VAL 190 Ca -0.01 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 58.91 2i2r s VAL 190 Cb -0.13 -2.96 0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2i2r s VAL 190 CO -0.03 0.37 0.62 0.42 -3.33 0.00 0.00 175.10 173.14 2i2r s THR 191 N 1.42 2.86 0.14 5.04 -4.23 -1.26 -1.42 115.64 118.18 2i2r s THR 191 Ca 0.05 -0.97 -0.18 0.00 -1.18 0.00 0.00 61.69 59.41 2i2r s THR 191 Cb -0.15 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 2i2r s THR 191 CO 0.03 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.13 2i2r h LEU 192 N 0.53 0.24 -0.94 4.79 5.85 -1.99 0.90 115.31 124.69 2i2r h LEU 192 Ca -0.39 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 2i2r h LEU 192 Cb 1.28 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2i2r h LEU 192 CO 0.45 0.18 0.09 0.44 -0.34 0.00 0.00 178.44 179.26 2i2r h ASP 193 N 0.32 0.82 -0.56 1.25 3.45 -1.95 0.43 116.42 120.17 2i2r h ASP 193 Ca 0.11 -0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.40 2i2r h ASP 193 Cb 0.02 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 2i2r h ASP 193 CO -0.06 0.83 0.33 -0.08 -1.57 0.00 0.00 179.24 178.68 2i2r h GLU 194 N 0.82 0.76 -0.19 3.56 4.81 -1.73 -1.82 114.58 120.80 2i2r h GLU 194 Ca 0.17 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 2i2r h GLU 194 Cb 0.36 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2i2r h GLU 194 CO 0.01 0.56 -0.60 0.35 -0.73 0.00 0.00 179.01 178.60 2i2r h PHE 195 N 0.75 0.81 0.69 0.92 3.57 -0.29 -2.32 116.94 121.07 2i2r h PHE 195 Ca 0.20 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 2i2r h PHE 195 Cb 0.00 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.60 2i2r h PHE 195 CO -0.02 1.07 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.73 2i2r h LEU 196 N 0.48 -0.79 -1.87 0.59 3.38 -0.04 -2.63 115.31 114.43 2i2r h LEU 196 Ca -0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2i2r h LEU 196 Cb 1.17 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2i2r h LEU 196 CO 0.12 -0.44 0.14 -0.33 0.09 0.00 0.00 178.44 178.01 2i2r h GLU 197 N -1.18 0.17 -0.25 1.13 5.08 -1.45 -2.47 114.58 115.62 2i2r h GLU 197 Ca -0.09 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 2i2r h GLU 197 Cb 0.71 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2i2r h GLU 197 CO 0.16 0.12 -0.42 1.03 -1.00 0.00 0.00 179.01 178.89 2i2r h SER 198 N 0.18 0.64 0.82 1.42 0.87 -1.41 -3.00 113.55 113.06 2i2r h SER 198 Ca 0.08 -0.29 -0.24 0.00 -1.23 0.00 0.00 61.79 60.11 2i2r h SER 198 Cb 0.11 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2i2r h SER 198 CO -0.01 0.98 -1.20 0.00 -0.53 0.00 0.00 176.83 176.07 2i2r h GLN 200 N 0.02 0.47 0.00 0.00 1.08 -1.48 -2.01 115.11 113.18 2i2r h GLN 200 Ca -0.09 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.01 2i2r h GLN 200 Cb 1.86 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 29.20 2i2r h GLN 200 CO 0.14 0.42 -0.14 1.49 -0.95 0.00 0.00 178.83 179.79 2i2r h GLU 201 N 0.47 0.00 -5.73 1.46 4.57 -1.55 -3.42 114.58 110.38 2i2r h GLU 201 Ca 0.11 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.68 2i2r h GLU 201 Cb 0.15 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.61 2i2r h GLU 201 CO -0.01 0.14 0.90 0.34 -1.18 0.00 0.00 179.01 179.20 2i2r s ASP 202 N -6.02 6.31 0.02 1.04 -1.08 -0.76 -4.92 116.67 111.25 2i2r s ASP 202 Ca -0.01 -1.12 -0.00 0.00 -0.52 0.00 0.00 52.55 50.90 2i2r s ASP 202 Cb 0.11 -2.48 0.03 0.00 -1.46 0.00 0.00 42.92 39.12 2i2r s ASP 202 CO 0.59 -1.49 0.09 0.47 0.52 0.00 0.00 175.17 175.35 2i2r n ASP 203 N 8.15 -0.02 -0.07 -0.34 8.00 -1.26 -2.35 116.55 128.66 2i2r n ASP 203 Ca 0.09 0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.60 2i2r n ASP 203 Cb 0.48 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.45 2i2r n ASP 203 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2i2r n ASN 204 N -4.01 2.09 -0.27 -2.24 6.94 -1.26 -3.12 115.26 113.40 2i2r n ASN 204 Ca 0.01 -0.04 0.07 0.00 -0.02 0.00 0.00 54.58 54.60 2i2r n ASN 204 Cb 0.03 0.39 0.18 0.00 -2.36 0.00 0.00 39.78 38.03 2i2r n ASN 204 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2i2r h ILE 205 N 0.00 0.34 0.42 1.53 2.04 -1.77 0.93 117.51 121.00 2i2r h ILE 205 Ca -0.37 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 2i2r h ILE 205 Cb 1.73 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2i2r h ILE 205 CO -0.01 0.02 -0.20 0.24 0.00 0.00 0.00 178.15 178.20 2i2r h MET 206 N 0.13 -0.54 -0.72 2.37 2.86 -1.67 -1.93 114.93 115.43 2i2r h MET 206 Ca 0.44 0.04 0.30 0.00 -2.06 0.00 0.00 59.70 58.42 2i2r h MET 206 Cb 0.80 0.12 -0.13 0.00 0.06 0.00 0.00 31.60 32.45 2i2r h MET 206 CO -0.66 -0.27 0.37 -2.13 1.06 0.00 0.00 176.91 175.29 2i2r n ARG 207 N -5.16 -0.04 0.08 1.72 3.00 -1.15 -2.10 116.66 113.00 2i2r n ARG 207 Ca -0.09 1.00 -0.11 0.00 -0.00 0.00 0.00 57.85 58.65 2i2r n ARG 207 Cb 0.27 -1.78 -0.08 0.00 0.00 0.00 0.00 32.46 30.87 2i2r n ARG 207 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2i2r h SER 208 N 0.00 -0.23 -0.67 6.15 0.87 -0.05 -3.33 113.55 116.29 2i2r h SER 208 Ca 0.60 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 2i2r h SER 208 Cb 1.59 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.58 2i2r h SER 208 CO -0.56 0.27 0.32 -0.07 -0.53 0.00 0.00 176.83 176.26 2i2r h LEU 209 N -0.82 0.90 -0.52 2.23 3.38 -0.87 -3.05 115.31 116.56 2i2r h LEU 209 Ca -0.03 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 2i2r h LEU 209 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2i2r h LEU 209 CO 0.05 0.77 -0.44 1.56 0.09 0.00 0.00 178.44 180.46 2i2r h GLN 210 N 0.99 0.71 -2.24 1.13 4.20 -1.67 -3.45 115.11 114.76 2i2r h GLN 210 Ca 0.24 -0.39 -0.30 0.00 0.06 0.00 0.00 58.65 58.26 2i2r h GLN 210 Cb 0.12 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2i2r h GLN 210 CO -0.03 1.01 0.44 1.28 -0.67 0.00 0.00 178.83 180.86 2i2r n LEU 211 N -4.02 0.32 -4.59 1.46 7.99 -1.15 -4.66 117.00 112.34 2i2r n LEU 211 Ca -0.02 0.30 -0.42 0.00 -0.01 0.00 0.00 56.01 55.85 2i2r n LEU 211 Cb 0.56 -0.33 -0.03 0.00 -0.11 0.00 0.00 43.42 43.50 2i2r n LEU 211 CO 0.47 -0.29 1.66 0.12 -1.51 0.00 0.00 177.39 177.84 2i2r s PHE 212 N 1.98 1.56 0.92 -1.77 5.36 -1.26 -4.99 117.98 119.77 2i2r s PHE 212 Ca 0.44 0.66 -0.13 0.00 -0.96 0.00 0.00 56.93 56.93 2i2r s PHE 212 Cb -0.56 -4.03 0.15 0.00 -0.34 0.00 0.00 43.02 38.23 2i2r s PHE 212 CO 0.26 -3.26 1.16 -0.65 -1.46 0.00 0.00 175.22 171.27 2i2r s GLN 213 N 6.09 1.06 -0.22 10.12 -1.52 -1.26 -5.06 119.66 128.87 2i2r s GLN 213 Ca 0.87 0.17 -0.04 0.00 -1.95 0.00 0.00 55.36 54.41 2i2r s GLN 213 Cb -0.25 -1.84 0.10 0.00 -0.22 0.00 0.00 33.01 30.80 2i2r s GLN 213 CO 0.33 -2.23 0.23 -0.80 -0.25 0.00 0.00 175.29 172.58 2i2r s ASN 214 N -4.19 1.40 -0.23 5.90 0.01 -1.26 -5.06 114.94 111.52 2i2r s ASN 214 Ca 0.65 -0.28 -0.29 0.00 -0.71 0.00 0.00 52.86 52.23 2i2r s ASN 214 Cb -0.13 0.41 -0.02 0.00 0.41 0.00 0.00 41.25 41.93 2i2r s ASN 214 CO 0.53 -0.33 1.52 0.68 -1.51 0.00 0.00 177.10 177.98 2i2r s VAL 215 N 2.34 3.83 0.00 1.60 -7.23 -1.26 -5.23 120.40 114.45 2i2r s VAL 215 Ca 0.08 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 2i2r s VAL 215 Cb -0.16 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.96 2i2r s VAL 215 CO -0.15 -0.31 0.00 0.80 -0.31 0.00 0.00 175.10 175.13