#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 0.68 -0.29 0.99 5.85 -2.03 -2.93 115.31 117.58 2i2r h LEU 39 Ca 0.00 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.37 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 0.86 0.00 -0.08 -0.34 0.00 0.00 178.44 178.88 2i2r h GLU 40 N 0.48 0.00 0.17 1.25 4.81 -2.01 -1.64 114.58 117.64 2i2r h GLU 40 Ca 0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2i2r h GLU 40 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2i2r h GLU 40 CO 0.03 0.00 -0.08 1.96 -0.73 0.00 0.00 179.01 180.19 2i2r h GLN 41 N 0.00 -0.22 -0.80 1.92 7.50 -1.99 -3.03 115.11 118.49 2i2r h GLN 41 Ca 0.00 0.02 0.09 0.00 0.50 0.00 0.00 58.65 59.26 2i2r h GLN 41 Cb 0.71 0.05 -0.05 0.00 0.05 0.00 0.00 27.48 28.23 2i2r h GLN 41 CO 0.00 0.15 0.52 -0.07 -1.50 0.00 0.00 178.83 177.93 2i2r h LEU 42 N -0.65 0.68 -0.25 1.46 3.38 -1.29 0.51 115.31 119.15 2i2r h LEU 42 Ca -0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2i2r h LEU 42 Cb 0.47 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2i2r h LEU 42 CO 0.04 0.41 0.14 -0.08 0.09 0.00 0.00 178.44 179.04 2i2r h GLU 43 N 0.76 0.29 0.72 1.13 4.81 -1.38 -1.39 114.58 119.51 2i2r h GLU 43 Ca 0.37 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2i2r h GLU 43 Cb 0.42 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.74 2i2r h GLU 43 CO -0.14 0.19 -0.35 0.00 -0.73 0.00 0.00 179.01 177.98 2i2r h ALA 44 N 1.12 -0.98 0.00 2.92 0.00 -1.00 -3.33 119.26 117.98 2i2r h ALA 44 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2i2r h ALA 44 Cb 0.01 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2i2r h ALA 44 CO -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 179.25 178.28 2i2r n GLN 45 N -5.37 0.87 -4.20 0.00 10.64 0.16 -4.79 117.38 114.69 2i2r n GLN 45 Ca -0.12 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 54.89 2i2r n GLN 45 Cb 0.38 -1.13 -0.07 0.00 -0.86 0.00 0.00 30.24 28.56 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 -1.69 0.00 -1.29 -0.39 -4.23 -0.53 -4.98 115.64 102.53 2i2r s THR 46 Ca 0.00 -1.87 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 2i2r s THR 46 Cb 0.00 -2.52 0.37 0.00 1.34 0.00 0.00 72.50 71.69 2i2r s THR 46 CO 0.00 0.00 1.19 0.59 -0.54 0.00 0.00 174.62 175.86 2i2r n ASN 47 N -1.18 2.68 -4.82 3.99 5.03 -1.26 -4.80 115.26 114.89 2i2r n ASN 47 Ca 0.04 -2.24 -0.32 0.00 0.87 0.00 0.00 54.58 52.93 2i2r n ASN 47 Cb 0.63 -0.42 -0.06 0.00 -1.02 0.00 0.00 39.78 38.90 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 -1.70 3.33 0.64 3.10 0.08 -1.26 -5.07 117.98 117.11 2i2r s PHE 48 Ca 0.26 0.21 -0.11 0.00 0.12 0.00 0.00 56.93 57.41 2i2r s PHE 48 Cb 0.17 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 2i2r s PHE 48 CO 0.12 0.57 1.05 0.95 -0.10 0.00 0.00 175.22 177.80 2i2r s THR 49 N -1.29 4.34 0.26 0.64 -4.23 -1.26 -4.55 115.64 109.54 2i2r s THR 49 Ca 0.26 0.75 -0.02 0.00 -1.18 0.00 0.00 61.69 61.50 2i2r s THR 49 Cb -0.12 -3.75 0.23 0.00 1.34 0.00 0.00 72.50 70.20 2i2r s THR 49 CO 0.18 -0.99 1.79 0.11 -0.54 0.00 0.00 174.62 175.17 2i2r h LYS 50 N -0.42 0.70 -0.15 3.99 1.57 -1.93 0.12 116.57 120.45 2i2r h LYS 50 Ca -0.44 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 2i2r h LYS 50 Cb 1.21 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 2i2r h LYS 50 CO 0.63 0.47 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.76 2i2r h ARG 51 N 0.72 -0.13 0.01 3.15 2.43 -2.00 -1.27 114.38 117.29 2i2r h ARG 51 Ca 0.44 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2i2r h ARG 51 Cb 0.51 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2i2r h ARG 51 CO -0.30 -0.09 -0.00 0.93 -1.51 0.00 0.00 179.97 178.99 2i2r h GLU 52 N -0.14 -0.01 -1.00 0.20 5.08 -1.64 -2.74 114.58 114.34 2i2r h GLU 52 Ca 0.10 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.66 2i2r h GLU 52 Cb 0.28 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 2i2r h GLU 52 CO -0.24 0.28 0.61 -0.07 -1.00 0.00 0.00 179.01 178.59 2i2r h LEU 53 N -0.29 0.72 -0.33 1.33 3.38 -0.60 0.01 115.31 119.53 2i2r h LEU 53 Ca -0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2i2r h LEU 53 Cb 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2i2r h LEU 53 CO 0.00 0.24 0.19 1.56 0.09 0.00 0.00 178.44 180.52 2i2r h GLN 54 N 0.69 0.45 -0.58 1.13 4.20 -0.94 0.26 115.11 120.32 2i2r h GLN 54 Ca 0.57 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.22 2i2r h GLN 54 Cb 1.00 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 2i2r h GLN 54 CO -0.36 0.36 0.28 0.28 -0.67 0.00 0.00 178.83 178.73 2i2r h VAL 55 N 0.42 1.21 0.02 -0.54 2.07 -0.85 -0.11 116.25 118.47 2i2r h VAL 55 Ca 0.12 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2i2r h VAL 55 Cb 0.04 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2i2r h VAL 55 CO -0.02 0.24 -0.01 -0.07 0.02 0.00 0.00 177.57 177.73 2i2r h LEU 56 N 0.80 -0.03 -0.62 2.57 3.38 -0.83 -0.79 115.31 119.79 2i2r h LEU 56 Ca 0.20 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2i2r h LEU 56 Cb 0.11 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2i2r h LEU 56 CO -0.03 0.01 0.25 0.22 0.09 0.00 0.00 178.44 178.98 2i2r h TYR 57 N -0.06 0.43 0.00 1.13 3.20 0.01 0.13 116.97 121.81 2i2r h TYR 57 Ca -0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2i2r h TYR 57 Cb 0.05 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2i2r h TYR 57 CO -0.07 0.12 -0.25 0.00 -1.64 0.00 0.00 178.16 176.32 2i2r h ARG 58 N 0.44 0.00 0.59 1.82 3.08 -0.80 0.52 114.38 120.03 2i2r h ARG 58 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2i2r h ARG 58 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.43 2i2r h ARG 58 CO -0.30 0.25 -0.28 0.78 -1.07 0.00 0.00 179.97 179.35 2i2r h GLY 59 N 0.76 -0.82 0.55 0.04 0.00 0.02 -3.06 103.07 100.55 2i2r h GLY 59 Ca -0.00 0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.66 2i2r h GLY 59 CO 0.03 -0.30 -0.20 -2.75 0.00 0.00 0.00 176.54 173.32 2i2r h PHE 60 N -1.03 -0.52 0.00 5.60 3.57 -0.26 -2.69 116.94 121.61 2i2r h PHE 60 Ca -0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2i2r h PHE 60 Cb 0.66 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2i2r h PHE 60 CO 0.00 -0.28 0.01 -0.22 -2.23 0.00 0.00 178.31 175.59 2i2r h LYS 61 N -0.33 0.00 0.02 1.11 3.11 -0.06 -1.00 116.57 119.42 2i2r h LYS 61 Ca 0.05 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.57 2i2r h LYS 61 Cb 0.40 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.58 2i2r h LYS 61 CO -0.17 0.00 -1.92 0.09 -2.81 0.00 0.00 179.45 174.64 2i2r n ASN 62 N -2.75 0.96 0.15 4.20 3.02 -1.04 -2.82 115.26 116.97 2i2r n ASN 62 Ca -0.02 0.28 0.02 0.00 -0.03 0.00 0.00 54.58 54.82 2i2r n ASN 62 Cb 0.07 -0.01 0.16 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.87 3.52 4.39 -0.93 -3.40 114.58 115.30 2i2r h GLU 63 Ca -0.37 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.12 2i2r h GLU 63 Cb 2.06 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 30.39 2i2r h GLU 63 CO 0.06 0.55 -0.52 0.00 -1.16 0.00 0.00 179.01 177.94 2i2r h PRO 65 N 8.18 0.92 0.00 0.00 0.11 -1.75 -3.23 132.00 136.23 2i2r h PRO 65 Ca -0.17 -0.36 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2i2r h PRO 65 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2i2r h PRO 65 CO 0.16 1.02 0.00 0.45 -0.21 0.00 0.00 178.00 179.42 2i2r n SER 66 N -4.21 0.00 0.00 -2.05 2.88 -1.26 -4.74 113.62 104.24 2i2r n SER 66 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2i2r n SER 66 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.88 2.94 3.20 0.46 0.00 -1.22 -4.97 105.19 104.72 2i2r n GLY 67 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.31 2.54 -0.43 1.61 -7.23 -1.26 -4.17 120.40 110.15 2i2r s VAL 68 Ca 0.00 -0.79 -0.18 0.00 -1.81 0.00 0.00 61.98 59.21 2i2r s VAL 68 Cb 0.00 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.87 2i2r s VAL 68 CO 0.00 0.50 0.47 -0.69 -0.31 0.00 0.00 175.10 175.07 2i2r s VAL 69 N 1.21 5.05 0.69 1.32 1.01 -0.80 -4.96 120.40 123.92 2i2r s VAL 69 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2i2r s VAL 69 Cb -0.14 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.29 2i2r s VAL 69 CO -0.07 -0.46 0.95 0.54 0.00 0.00 0.00 175.10 176.06 2i2r s ASN 70 N 1.88 4.50 0.31 3.32 4.22 -1.26 -2.24 114.94 125.66 2i2r s ASN 70 Ca 0.13 -0.47 0.04 0.00 -2.14 0.00 0.00 52.86 50.42 2i2r s ASN 70 Cb -0.17 0.06 0.52 0.00 1.28 0.00 0.00 41.25 42.93 2i2r s ASN 70 CO 0.14 -1.76 1.80 -0.08 -2.04 0.00 0.00 177.10 175.16 2i2r h GLU 71 N -0.38 0.48 -0.03 3.55 4.81 -1.96 -1.69 114.58 119.36 2i2r h GLU 71 Ca -0.35 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2i2r h GLU 71 Cb 1.27 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 2i2r h GLU 71 CO 0.40 0.61 0.01 -0.44 -0.73 0.00 0.00 179.01 178.86 2i2r h ASP 72 N 0.44 0.04 -0.70 1.04 5.19 -1.98 0.48 116.42 120.93 2i2r h ASP 72 Ca 0.08 -0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.38 2i2r h ASP 72 Cb 0.51 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.95 2i2r h ASP 72 CO 0.03 0.21 0.40 0.71 -3.12 0.00 0.00 179.24 177.47 2i2r h THR 73 N -0.12 0.98 -0.48 0.35 1.35 -1.90 -1.68 112.91 111.41 2i2r h THR 73 Ca 0.01 -0.25 0.09 0.00 -0.55 0.00 0.00 66.41 65.70 2i2r h THR 73 Cb 0.18 0.18 -0.07 0.00 -1.73 0.00 0.00 68.15 66.70 2i2r h THR 73 CO -0.00 0.13 0.06 0.15 -0.25 0.00 0.00 175.52 175.61 2i2r h PHE 74 N 0.74 0.08 0.86 4.73 3.04 -0.36 0.27 116.94 126.29 2i2r h PHE 74 Ca 0.31 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.25 2i2r h PHE 74 Cb 0.18 0.04 0.01 0.00 2.56 0.00 0.00 35.95 38.74 2i2r h PHE 74 CO -0.07 -0.05 -0.41 0.87 -2.02 0.00 0.00 178.31 176.63 2i2r h LYS 75 N 0.18 -1.11 0.00 1.11 1.79 0.32 -3.18 116.57 115.68 2i2r h LYS 75 Ca 0.24 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2i2r h LYS 75 Cb 0.34 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2i2r h LYS 75 CO -0.35 -0.74 0.00 -0.56 -1.08 0.00 0.00 179.45 176.72 2i2r h GLN 76 N -1.17 0.00 0.00 3.15 3.07 -0.96 -0.63 115.11 118.57 2i2r h GLN 76 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 2i2r h GLN 76 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.45 2i2r h GLN 76 CO 0.19 0.00 -0.01 0.82 0.09 0.00 0.00 178.83 179.92 2i2r h ILE 77 N 0.00 0.03 0.00 1.86 2.04 -0.45 -2.92 117.51 118.08 2i2r h ILE 77 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2i2r h ILE 77 Cb 0.38 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2i2r h ILE 77 CO 0.00 0.01 -1.39 -1.22 0.00 0.00 0.00 178.15 175.55 2i2r n TYR 78 N -3.11 0.00 -0.36 1.37 4.02 -0.27 -4.35 117.16 114.46 2i2r n TYR 78 Ca 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 57.90 58.16 2i2r n TYR 78 Cb 0.28 -0.20 0.53 0.00 -0.02 0.00 0.00 39.34 39.92 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 2.51 2.20 0.11 -0.72 0.00 -1.27 0.14 119.26 122.23 2i2r h ALA 79 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2i2r h ALA 79 Cb 0.69 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2i2r h ALA 79 CO 0.00 -0.79 -0.05 1.96 0.00 0.00 0.00 179.25 180.37 2i2r h GLN 80 N 0.27 -0.14 -0.12 0.00 7.50 -1.76 -3.37 115.11 117.49 2i2r h GLN 80 Ca 0.74 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.92 2i2r h GLN 80 Cb 1.88 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 29.43 2i2r h GLN 80 CO -0.52 0.35 -0.04 1.19 -1.50 0.00 0.00 178.83 178.32 2i2r n PHE 81 N -4.88 0.02 -4.31 2.96 0.99 0.50 -4.04 117.46 108.70 2i2r n PHE 81 Ca -0.08 0.15 -0.23 0.00 -0.00 0.00 0.00 57.45 57.29 2i2r n PHE 81 Cb 0.28 -0.56 -0.13 0.00 -1.00 0.00 0.00 39.48 38.08 2i2r n PHE 81 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 2i2r s PHE 82 N -5.13 1.65 0.00 1.38 -0.00 -1.23 -5.13 117.98 109.53 2i2r s PHE 82 Ca -0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 56.93 56.50 2i2r s PHE 82 Cb 0.03 -0.92 0.00 0.00 -0.00 0.00 0.00 43.02 42.13 2i2r s PHE 82 CO 0.09 0.16 0.00 -0.35 -0.00 0.00 0.00 175.22 175.12 2i2r n PRO 83 N 1.25 0.00 -2.93 1.99 -0.04 -1.26 -4.31 135.00 129.70 2i2r n PRO 83 Ca -0.19 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 2i2r n PRO 83 Cb 0.54 -0.37 0.01 0.00 -0.04 0.00 0.00 33.50 33.64 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 2.49 -4.45 0.54 1.44 -1.26 -4.94 115.22 109.04 2i2r n HIS 84 Ca 0.00 -2.69 -0.22 0.00 -2.01 0.00 0.00 57.72 52.80 2i2r n HIS 84 Cb 0.00 -1.18 -0.11 0.00 0.12 0.00 0.00 29.99 28.83 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 -1.78 2.07 -0.26 -1.39 0.00 -1.26 -5.12 107.32 99.58 2i2r s GLY 85 Ca 0.34 -2.06 0.01 0.00 0.00 0.00 0.00 44.72 43.01 2i2r s GLY 85 CO 0.03 -1.82 -0.03 -0.35 0.00 0.00 0.00 173.10 170.94 2i2r s ASP 86 N -3.49 4.06 -0.12 1.64 -1.08 -0.07 -4.94 116.67 112.67 2i2r s ASP 86 Ca 0.37 -1.38 0.14 0.00 -0.52 0.00 0.00 52.55 51.16 2i2r s ASP 86 Cb 0.09 -1.25 0.63 0.00 -1.46 0.00 0.00 42.92 40.92 2i2r s ASP 86 CO 0.16 -0.27 1.50 0.00 0.52 0.00 0.00 175.17 177.08 2i2r n ALA 87 N 4.60 3.18 0.04 3.66 0.00 -1.26 -2.08 120.51 128.65 2i2r n ALA 87 Ca -0.09 -1.39 -0.11 0.00 0.00 0.00 0.00 53.44 51.84 2i2r n ALA 87 Cb 0.43 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 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 3.42 -0.88 -0.33 0.00 0.87 -1.91 -0.88 113.55 113.85 2i2r h SER 88 Ca 0.00 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 2i2r h SER 88 Cb 1.38 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 63.69 2i2r h SER 88 CO 0.25 -0.35 -0.16 0.71 -0.53 0.00 0.00 176.83 176.75 2i2r h THR 89 N -0.42 1.26 -0.60 2.23 1.35 -1.87 -2.89 112.91 111.97 2i2r h THR 89 Ca 0.07 -1.25 -0.08 0.00 -0.55 0.00 0.00 66.41 64.60 2i2r h THR 89 Cb 0.52 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2i2r h THR 89 CO -0.27 0.42 0.05 0.22 -0.25 0.00 0.00 175.52 175.69 2i2r h TYR 90 N 0.70 1.11 -0.87 4.73 3.20 -1.66 -2.86 116.97 121.32 2i2r h TYR 90 Ca 0.11 -0.17 0.23 0.00 3.14 0.00 0.00 58.73 62.03 2i2r h TYR 90 Cb 0.66 -0.30 -0.14 0.00 1.54 0.00 0.00 36.73 38.49 2i2r h TYR 90 CO 0.03 0.97 0.21 0.00 -1.64 0.00 0.00 178.16 177.73 2i2r h ALA 91 N 1.00 1.22 -0.47 1.82 0.00 -0.94 0.16 119.26 122.06 2i2r h ALA 91 Ca 0.18 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2i2r h ALA 91 Cb 0.49 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2i2r h ALA 91 CO 0.02 -0.47 0.31 1.25 0.00 0.00 0.00 179.25 180.36 2i2r h HIS 92 N 0.19 0.59 -0.44 0.00 -0.00 -1.50 0.33 115.15 114.32 2i2r h HIS 92 Ca 0.54 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.78 2i2r h HIS 92 Cb 1.08 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 2i2r h HIS 92 CO -0.29 0.37 -0.29 1.88 -0.00 0.00 0.00 177.93 179.60 2i2r h TYR 93 N 0.63 1.14 -0.72 5.26 -1.99 -1.16 -2.57 116.97 117.57 2i2r h TYR 93 Ca 0.17 -0.31 -0.03 0.00 2.00 0.00 0.00 58.73 60.57 2i2r h TYR 93 Cb -0.07 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.37 2i2r h TYR 93 CO -0.04 1.14 0.35 1.25 -0.00 0.00 0.00 178.16 180.86 2i2r h LEU 94 N 0.82 0.94 0.34 3.88 5.85 -0.37 -2.35 115.31 124.42 2i2r h LEU 94 Ca 0.09 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2i2r h LEU 94 Cb 0.88 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2i2r h LEU 94 CO 0.08 0.81 -0.20 0.15 -0.34 0.00 0.00 178.44 178.94 2i2r h PHE 95 N 1.01 -0.52 0.00 1.25 3.57 -0.07 -2.69 116.94 119.50 2i2r h PHE 95 Ca 0.25 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2i2r h PHE 95 Cb 0.11 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2i2r h PHE 95 CO 0.01 -0.30 0.00 0.27 -2.23 0.00 0.00 178.31 176.06 2i2r n ASN 96 N -3.48 0.95 0.07 0.41 0.23 -0.99 -0.09 115.26 112.35 2i2r n ASN 96 Ca -0.06 -1.91 -0.10 0.00 -0.53 0.00 0.00 54.58 51.98 2i2r n ASN 96 Cb 0.20 -0.47 -0.13 0.00 -2.08 0.00 0.00 39.78 37.30 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 1.96 0.30 -3.00 -2.53 0.00 -1.07 -3.44 119.26 111.48 2i2r h ALA 97 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2i2r h ALA 97 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2i2r h ALA 97 CO 0.00 1.19 0.00 1.19 0.00 0.00 0.00 179.25 181.63 2i2r n PHE 98 N -3.39 0.00 -2.88 0.00 3.01 0.88 -4.71 117.46 110.37 2i2r n PHE 98 Ca -0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 2i2r n PHE 98 Cb 0.97 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.43 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 -1.14 0.10 4.37 9.92 -1.23 -4.81 116.55 123.75 2i2r n ASP 99 Ca 0.00 0.09 0.01 0.00 -0.53 0.00 0.00 54.79 54.36 2i2r n ASP 99 Cb 0.00 -1.09 0.33 0.00 -0.64 0.00 0.00 41.12 39.72 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 -0.19 1.21 0.00 -3.53 2.02 -1.92 0.77 112.91 111.27 2i2r h THR 100 Ca -0.13 -0.98 -0.09 0.00 0.77 0.00 0.00 66.41 65.98 2i2r h THR 100 Cb 1.05 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2i2r h THR 100 CO 0.20 0.30 -0.45 0.74 0.37 0.00 0.00 175.52 176.68 2i2r h THR 101 N 0.26 1.06 -5.48 3.16 2.02 -1.95 -3.48 112.91 108.51 2i2r h THR 101 Ca 0.05 -1.69 -0.35 0.00 0.77 0.00 0.00 66.41 65.18 2i2r h THR 101 Cb 0.48 1.98 0.14 0.00 -1.74 0.00 0.00 68.15 69.02 2i2r h THR 101 CO 0.03 0.44 -0.66 0.00 0.37 0.00 0.00 175.52 175.70 2i2r n GLN 102 N -3.63 -7.07 -0.90 6.66 1.13 0.26 -4.94 117.38 108.89 2i2r n GLN 102 Ca -0.01 0.78 -0.06 0.00 -1.94 0.00 0.00 57.00 55.77 2i2r n GLN 102 Cb 0.54 -5.65 0.24 0.00 0.11 0.00 0.00 30.24 25.48 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 -4.56 2.77 0.00 5.09 5.66 -1.26 -4.96 114.28 117.02 2i2r n THR 103 Ca -0.08 -2.06 0.00 0.00 -3.05 0.00 0.00 64.05 58.87 2i2r n THR 103 Cb 0.59 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 -0.69 1.27 3.18 1.09 0.00 -1.26 -4.92 105.19 103.85 2i2r n GLY 104 Ca 0.39 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 0.82 -0.34 1.61 0.15 -1.26 -4.98 113.70 109.69 2i2r s SER 105 Ca 0.00 -1.13 -0.13 0.00 0.70 0.00 0.00 55.95 55.39 2i2r s SER 105 Cb 0.00 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 2i2r s SER 105 CO 0.00 -0.61 0.27 0.68 1.20 0.00 0.00 173.24 174.78 2i2r s VAL 106 N -3.81 5.26 0.58 4.45 -7.23 -0.95 -4.87 120.40 113.83 2i2r s VAL 106 Ca 0.19 -0.14 -0.07 0.00 -1.81 0.00 0.00 61.98 60.16 2i2r s VAL 106 Cb 0.07 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 2i2r s VAL 106 CO -0.00 -0.02 0.90 -1.59 -0.31 0.00 0.00 175.10 174.08 2i2r s LYS 107 N 1.79 3.11 0.26 4.82 -2.85 -1.26 -1.91 119.74 123.69 2i2r s LYS 107 Ca 0.07 0.15 -0.02 0.00 -1.00 0.00 0.00 55.97 55.17 2i2r s LYS 107 Cb -0.17 -2.26 0.48 0.00 -2.06 0.00 0.00 37.83 33.83 2i2r s LYS 107 CO 0.11 -0.61 1.79 0.35 0.10 0.00 0.00 175.35 177.09 2i2r h PHE 108 N -0.14 0.85 -0.89 1.78 3.57 -1.99 -2.29 116.94 117.83 2i2r h PHE 108 Ca -0.46 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.15 2i2r h PHE 108 Cb 1.24 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 2i2r h PHE 108 CO 0.52 0.28 0.58 1.05 -2.23 0.00 0.00 178.31 178.50 2i2r h GLU 109 N 0.73 0.95 0.35 1.11 9.09 -1.96 0.78 114.58 125.64 2i2r h GLU 109 Ca 0.44 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.78 2i2r h GLU 109 Cb 0.52 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 2i2r h GLU 109 CO -0.30 0.63 -0.22 -0.44 0.05 0.00 0.00 179.01 178.72 2i2r h ASP 110 N 0.98 -0.56 -0.96 3.06 3.32 -1.81 -2.28 116.42 118.17 2i2r h ASP 110 Ca 0.39 0.04 0.19 0.00 0.02 0.00 0.00 57.03 57.67 2i2r h ASP 110 Cb 0.24 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 39.85 2i2r h ASP 110 CO -0.15 -0.35 0.55 0.15 -1.72 0.00 0.00 179.24 177.72 2i2r h PHE 111 N -0.55 0.95 0.01 4.55 3.57 -0.89 -1.06 116.94 123.53 2i2r h PHE 111 Ca -0.04 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 2i2r h PHE 111 Cb 0.46 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2i2r h PHE 111 CO -0.10 0.16 -1.08 -0.39 -2.23 0.00 0.00 178.31 174.68 2i2r h VAL 112 N 0.66 1.63 0.29 1.41 -1.51 -0.85 -2.62 116.25 115.27 2i2r h VAL 112 Ca 0.57 -3.34 -0.01 0.00 -1.23 0.00 0.00 66.70 62.69 2i2r h VAL 112 Cb 0.92 2.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.92 2i2r h VAL 112 CO -0.41 0.94 -0.14 0.74 -1.23 0.00 0.00 177.57 177.46 2i2r h THR 113 N 0.01 0.74 -0.79 7.19 2.02 -0.94 0.44 112.91 121.58 2i2r h THR 113 Ca -0.04 -0.22 0.15 0.00 0.77 0.00 0.00 66.41 67.07 2i2r h THR 113 Cb 1.81 0.86 -0.15 0.00 -1.74 0.00 0.00 68.15 68.93 2i2r h THR 113 CO 0.13 0.05 -0.25 0.00 0.37 0.00 0.00 175.52 175.82 2i2r h ALA 114 N 0.17 0.39 -0.35 6.16 0.00 -1.27 0.38 119.26 124.73 2i2r h ALA 114 Ca -0.04 0.28 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 2i2r h ALA 114 Cb 0.38 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2i2r h ALA 114 CO 0.07 -0.48 -0.34 -0.07 0.00 0.00 0.00 179.25 178.43 2i2r h LEU 115 N -0.03 0.81 -1.22 0.00 3.38 -1.34 0.16 115.31 117.08 2i2r h LEU 115 Ca 0.36 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2i2r h LEU 115 Cb 0.59 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2i2r h LEU 115 CO -0.83 1.08 0.40 -1.28 0.09 0.00 0.00 178.44 177.90 2i2r h SER 116 N 0.65 0.83 0.10 -0.43 0.87 0.25 0.14 113.55 115.97 2i2r h SER 116 Ca 0.07 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2i2r h SER 116 Cb 0.88 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2i2r h SER 116 CO 0.08 0.65 -0.05 0.40 -0.53 0.00 0.00 176.83 177.38 2i2r h ILE 117 N 0.95 1.10 -0.14 2.23 2.04 -0.11 -1.65 117.51 121.94 2i2r h ILE 117 Ca 0.25 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2i2r h ILE 117 Cb -0.02 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2i2r h ILE 117 CO -0.04 0.27 -0.04 -0.07 0.00 0.00 0.00 178.15 178.26 2i2r h LEU 118 N -0.73 0.19 0.00 1.44 4.07 -0.69 -1.84 115.31 117.75 2i2r h LEU 118 Ca -0.01 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 2i2r h LEU 118 Cb 0.55 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2i2r h LEU 118 CO 0.02 0.27 -2.04 0.18 -1.08 0.00 0.00 178.44 175.79 2i2r n LEU 119 N -4.37 0.00 0.00 1.67 4.77 0.46 -4.80 117.00 114.73 2i2r n LEU 119 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2i2r n LEU 119 Cb 0.19 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2i2r n LEU 119 CO 0.36 0.10 -0.20 0.54 -1.33 0.00 0.00 177.39 176.86 2i2r n ARG 120 N -2.34 2.54 -0.45 3.23 5.12 -0.68 -4.30 116.66 119.78 2i2r n ARG 120 Ca -0.10 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.54 2i2r n ARG 120 Cb 0.67 -0.70 0.27 0.00 -1.16 0.00 0.00 32.46 31.54 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 1.29 -2.24 3.72 -0.13 0.00 -0.69 -4.99 105.19 102.15 2i2r n GLY 121 Ca 0.00 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.37 2.53 0.15 2.61 -1.32 -1.26 -4.72 115.64 111.25 2i2r s THR 122 Ca 0.69 0.22 -0.19 0.00 -1.21 0.00 0.00 61.69 61.19 2i2r s THR 122 Cb -0.25 -2.63 0.04 0.00 -1.51 0.00 0.00 72.50 68.15 2i2r s THR 122 CO 0.66 -0.18 1.67 0.58 -2.21 0.00 0.00 174.62 175.14 2i2r h VAL 123 N -0.78 0.60 -0.73 5.08 2.07 -1.94 0.22 116.25 120.76 2i2r h VAL 123 Ca -0.46 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.20 2i2r h VAL 123 Cb 1.27 0.60 -0.14 0.00 -1.52 0.00 0.00 31.29 31.50 2i2r h VAL 123 CO 0.48 0.00 -0.28 -0.74 0.02 0.00 0.00 177.57 177.05 2i2r h HIS 124 N -0.08 -0.72 -0.41 1.57 -0.00 -1.97 0.23 115.15 113.77 2i2r h HIS 124 Ca 0.15 0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.55 2i2r h HIS 124 Cb 0.30 0.43 -0.02 0.00 -0.00 0.00 0.00 27.41 28.12 2i2r h HIS 124 CO -0.32 -0.36 0.09 0.93 -0.00 0.00 0.00 177.93 178.26 2i2r h GLU 125 N -0.07 0.67 -0.59 5.26 5.08 -1.41 0.24 114.58 123.77 2i2r h GLU 125 Ca 0.31 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2i2r h GLU 125 Cb 0.57 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2i2r h GLU 125 CO -0.78 0.70 0.14 0.87 -1.00 0.00 0.00 179.01 178.94 2i2r h LYS 126 N 0.53 0.95 -0.27 2.33 1.57 -0.11 -1.35 116.57 120.22 2i2r h LYS 126 Ca 0.13 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2i2r h LYS 126 Cb 0.34 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2i2r h LYS 126 CO 0.00 0.87 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.56 2i2r h LEU 127 N 0.86 0.58 -1.36 2.94 3.38 -0.30 -2.35 115.31 119.05 2i2r h LEU 127 Ca 0.18 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2i2r h LEU 127 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2i2r h LEU 127 CO 0.00 0.86 0.29 -0.09 0.09 0.00 0.00 178.44 179.59 2i2r h ARG 128 N 0.30 0.72 -0.56 1.13 2.43 -0.42 -0.82 114.38 117.16 2i2r h ARG 128 Ca 0.06 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2i2r h ARG 128 Cb 0.64 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2i2r h ARG 128 CO 0.04 0.54 0.26 2.35 -1.51 0.00 0.00 179.97 181.64 2i2r h TRP 129 N 0.73 0.81 -0.53 2.20 7.01 -0.99 -1.59 115.95 123.58 2i2r h TRP 129 Ca 0.19 -0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.09 2i2r h TRP 129 Cb 0.02 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 2i2r h TRP 129 CO 0.00 0.63 0.13 1.15 -2.79 0.00 0.00 178.44 177.57 2i2r h THR 130 N 0.75 1.24 -0.59 2.65 2.02 -0.88 -2.83 112.91 115.28 2i2r h THR 130 Ca 0.19 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.57 2i2r h THR 130 Cb 0.13 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 2i2r h THR 130 CO -0.02 0.31 0.30 0.15 0.37 0.00 0.00 175.52 176.63 2i2r h PHE 131 N 0.75 0.54 0.00 3.16 3.57 -0.84 -1.31 116.94 122.80 2i2r h PHE 131 Ca 0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2i2r h PHE 131 Cb 0.33 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2i2r h PHE 131 CO 0.02 0.24 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.22 2i2r h ASN 132 N 0.55 0.00 -0.18 0.41 2.35 -1.16 0.10 115.58 117.65 2i2r h ASN 132 Ca 0.27 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.93 2i2r h ASN 132 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2i2r h ASN 132 CO -0.20 0.21 -0.24 0.25 -1.65 0.00 0.00 177.43 175.81 2i2r h LEU 133 N 0.00 0.52 -0.42 1.61 5.85 -1.09 -3.28 115.31 118.51 2i2r h LEU 133 Ca -0.00 -0.51 -0.11 0.00 0.84 0.00 0.00 57.88 58.10 2i2r h LEU 133 Cb 0.48 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2i2r h LEU 133 CO 0.03 0.93 -0.18 1.88 -0.34 0.00 0.00 178.44 180.75 2i2r h TYR 134 N 0.14 0.99 -0.58 1.25 0.05 -0.59 -3.36 116.97 114.86 2i2r h TYR 134 Ca 0.02 -0.24 -0.40 0.00 0.05 0.00 0.00 58.73 58.17 2i2r h TYR 134 Cb 0.80 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.26 2i2r h TYR 134 CO 0.09 1.01 1.25 0.34 -1.05 0.00 0.00 178.16 179.80 2i2r s ASP 135 N -6.56 5.39 0.11 3.88 2.15 0.29 -4.74 116.67 117.19 2i2r s ASP 135 Ca -0.12 -1.70 -0.25 0.00 0.43 0.00 0.00 52.55 50.91 2i2r s ASP 135 Cb 0.11 -2.58 -0.10 0.00 -0.30 0.00 0.00 42.92 40.05 2i2r s ASP 135 CO 0.84 -2.68 1.68 0.40 -0.17 0.00 0.00 175.17 175.24 2i2r h ILE 136 N 6.19 0.63 -0.12 4.11 2.04 -1.80 -2.74 117.51 125.83 2i2r h ILE 136 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 2i2r h ILE 136 Cb 0.93 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2i2r h ILE 136 CO 1.27 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 178.96 2i2r n ASN 137 N -5.28 1.36 -3.40 1.72 2.04 -1.26 -4.94 115.26 105.50 2i2r n ASN 137 Ca -0.06 -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 0.02 -1.98 0.00 -3.83 4.01 -1.04 -4.96 118.16 110.38 2i2r n LYS 138 Ca 0.05 1.51 0.00 0.00 -0.51 0.00 0.00 58.31 59.36 2i2r n LYS 138 Cb 0.29 -2.82 0.00 0.00 -0.51 0.00 0.00 35.03 31.99 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 -0.43 0.00 -0.08 4.39 5.68 -1.26 -5.03 116.55 119.82 2i2r n ASP 139 Ca -0.07 -1.00 -0.01 0.00 -0.50 0.00 0.00 54.79 53.21 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 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.90 1.38 -0.25 1.61 4.12 -1.26 -3.99 117.35 117.05 2i2r s TYR 141 Ca 0.00 -0.48 -0.06 0.00 0.02 0.00 0.00 57.07 56.55 2i2r s TYR 141 Cb 0.00 -1.01 -0.01 0.00 -1.52 0.00 0.00 41.96 39.42 2i2r s TYR 141 CO 0.00 -0.24 0.04 0.42 0.02 0.00 0.00 175.55 175.78 2i2r s ILE 142 N 0.58 3.90 0.20 2.71 1.01 -0.54 -4.74 121.20 124.33 2i2r s ILE 142 Ca -0.13 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.17 2i2r s ILE 142 Cb -0.15 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2i2r s ILE 142 CO 0.03 0.28 -0.04 0.54 0.00 0.00 0.00 174.94 175.75 2i2r s ASN 143 N 1.53 4.51 0.29 3.58 4.22 -1.26 -2.06 114.94 125.75 2i2r s ASN 143 Ca 0.05 -0.53 -0.04 0.00 -2.14 0.00 0.00 52.86 50.20 2i2r s ASN 143 Cb -0.15 -0.86 0.59 0.00 1.28 0.00 0.00 41.25 42.11 2i2r s ASN 143 CO 0.01 0.07 1.57 0.07 -2.04 0.00 0.00 177.10 176.78 2i2r h LYS 144 N 2.55 0.00 -0.94 3.55 5.09 -1.99 0.17 116.57 125.01 2i2r h LYS 144 Ca -0.46 -0.00 0.15 0.00 0.09 0.00 0.00 60.65 60.43 2i2r h LYS 144 Cb 1.22 -0.00 -0.15 0.00 0.10 0.00 0.00 32.23 33.39 2i2r h LYS 144 CO 0.57 0.00 -0.35 0.39 -2.09 0.00 0.00 179.45 177.98 2i2r n GLU 145 N -5.56 -0.20 0.05 0.07 -0.58 -1.26 -1.80 120.64 111.37 2i2r n GLU 145 Ca 0.19 1.45 0.11 0.00 -0.42 0.00 0.00 57.16 58.49 2i2r n GLU 145 Cb 0.61 -2.15 -0.07 0.00 -0.57 0.00 0.00 31.44 29.27 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 -5.40 0.61 -0.14 3.49 0.28 0.54 -3.50 120.64 116.51 2i2r n GLU 146 Ca 0.10 -0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 2i2r n GLU 146 Cb 0.39 -1.69 -0.01 0.00 1.43 0.00 0.00 31.44 31.55 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 0.91 -0.39 3.44 4.05 -1.18 -2.84 114.93 118.92 2i2r h MET 147 Ca 0.00 -0.40 0.08 0.00 -0.28 0.00 0.00 59.70 59.09 2i2r h MET 147 Cb 0.98 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.69 2i2r h MET 147 CO 0.00 1.06 -0.06 0.52 0.23 0.00 0.00 176.91 178.66 2i2r h MET 148 N 0.74 0.04 -0.41 0.39 2.86 -1.45 -1.39 114.93 115.71 2i2r h MET 148 Ca 0.10 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.82 2i2r h MET 148 Cb 0.79 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.35 2i2r h MET 148 CO 0.07 0.03 -0.19 -0.44 1.06 0.00 0.00 176.91 177.43 2i2r h ASP 149 N 0.04 -0.64 0.39 1.22 3.45 -1.58 -0.53 116.42 118.78 2i2r h ASP 149 Ca 0.19 0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.79 2i2r h ASP 149 Cb 0.28 0.35 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 2i2r h ASP 149 CO -0.37 -0.22 -0.28 0.40 -1.57 0.00 0.00 179.24 177.21 2i2r h ILE 150 N -0.11 0.42 -0.43 0.35 1.08 -1.17 0.22 117.51 117.87 2i2r h ILE 150 Ca 0.20 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.67 2i2r h ILE 150 Cb 0.41 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2i2r h ILE 150 CO -0.48 0.00 0.27 0.58 -0.69 0.00 0.00 178.15 177.83 2i2r h VAL 151 N -0.66 1.13 -0.60 1.67 2.07 -1.10 -0.32 116.25 118.43 2i2r h VAL 151 Ca -0.04 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2i2r h VAL 151 Cb 0.56 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2i2r h VAL 151 CO 0.01 0.13 0.36 0.11 0.02 0.00 0.00 177.57 178.20 2i2r h LYS 152 N 0.57 0.69 -0.22 1.57 6.56 -1.01 0.24 116.57 124.96 2i2r h LYS 152 Ca 0.15 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 2i2r h LYS 152 Cb -0.02 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.47 2i2r h LYS 152 CO -0.03 0.45 0.05 0.00 -2.06 0.00 0.00 179.45 177.87 2i2r h ALA 153 N 1.27 1.69 0.14 3.86 0.00 0.42 0.70 119.26 127.34 2i2r h ALA 153 Ca 0.24 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 2i2r h ALA 153 Cb 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2i2r h ALA 153 CO -0.11 0.25 -1.13 0.82 0.00 0.00 0.00 179.25 179.08 2i2r h ILE 154 N 0.31 1.29 -0.81 0.00 2.04 -0.83 -2.96 117.51 116.56 2i2r h ILE 154 Ca 0.08 -2.50 0.16 0.00 1.00 0.00 0.00 64.86 63.59 2i2r h ILE 154 Cb 0.12 2.99 -0.10 0.00 -0.74 0.00 0.00 36.82 39.10 2i2r h ILE 154 CO -0.00 0.72 0.35 1.88 0.00 0.00 0.00 178.15 181.10 2i2r h TYR 155 N -0.28 0.60 -0.52 1.37 -1.99 -0.74 -0.29 116.97 115.11 2i2r h TYR 155 Ca -0.22 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.54 2i2r h TYR 155 Cb 1.75 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 40.32 2i2r h TYR 155 CO 0.16 0.07 0.31 -0.44 -0.00 0.00 0.00 178.16 178.26 2i2r h ASP 156 N 0.48 0.63 -0.03 3.88 3.32 -0.95 -3.48 116.42 120.26 2i2r h ASP 156 Ca 0.46 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.46 2i2r h ASP 156 Cb 0.72 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 2i2r h ASP 156 CO -0.42 0.50 0.04 -0.03 -1.72 0.00 0.00 179.24 177.61 2i2r h MET 157 N 0.70 0.00 0.00 3.56 4.05 -0.47 -0.15 114.93 122.61 2i2r h MET 157 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2i2r h MET 157 Cb -0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2i2r h MET 157 CO -0.03 0.00 0.00 -3.47 0.23 0.00 0.00 176.91 173.64 2i2r n ASP 169 N -3.84 0.00 0.00 1.39 4.64 -1.26 -3.66 116.55 113.82 2i2r n ASP 169 Ca -0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.39 2i2r n ASP 169 Cb 0.12 0.37 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 2i2r n ASP 169 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2i2r n THR 170 N 0.23 0.00 0.00 5.18 -2.24 -1.26 -5.11 114.28 111.08 2i2r n THR 170 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2i2r n THR 170 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2i2r n THR 170 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2i2r n PRO 171 N 0.00 0.00 0.07 -0.78 -0.04 -1.26 -4.75 135.00 128.23 2i2r n PRO 171 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2i2r n PRO 171 Cb 0.00 -0.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.99 2i2r n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i2r h ARG 172 N 0.00 -0.12 -0.21 0.54 -0.00 -2.00 -3.00 114.38 109.60 2i2r h ARG 172 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 2i2r h ARG 172 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.00 2i2r h ARG 172 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 179.97 180.04 2i2r n GLN 173 N -5.07 0.28 0.00 0.04 10.64 -1.26 -2.06 117.38 119.95 2i2r n GLN 173 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2i2r n GLN 173 Cb 0.14 -1.11 0.00 0.00 -0.86 0.00 0.00 30.24 28.41 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 0.17 0.00 -0.14 2.61 -0.00 -1.14 -4.26 115.22 112.46 2i2r n HIS 174 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2i2r n HIS 174 Cb 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.14 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 1.26 -0.43 3.57 2.07 -1.37 -2.96 116.25 118.39 2i2r h VAL 175 Ca 0.00 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2i2r h VAL 175 Cb 0.99 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2i2r h VAL 175 CO 0.00 0.40 0.24 0.44 0.02 0.00 0.00 177.57 178.67 2i2r h ASP 176 N 0.81 0.54 -0.65 0.57 3.32 -1.66 -0.03 116.42 119.32 2i2r h ASP 176 Ca 0.14 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2i2r h ASP 176 Cb 0.57 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 2i2r h ASP 176 CO 0.03 0.47 0.24 -0.37 -1.72 0.00 0.00 179.24 177.89 2i2r h VAL 177 N 0.56 1.24 0.75 -1.35 -1.51 -1.74 -0.64 116.25 113.56 2i2r h VAL 177 Ca 0.15 -0.80 -0.03 0.00 -1.23 0.00 0.00 66.70 64.79 2i2r h VAL 177 Cb 0.05 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2i2r h VAL 177 CO -0.02 0.31 -0.50 0.15 -1.23 0.00 0.00 177.57 176.28 2i2r h PHE 178 N 0.98 -1.35 -0.48 5.19 3.04 -1.27 -2.61 116.94 120.44 2i2r h PHE 178 Ca 0.22 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 2i2r h PHE 178 Cb 0.24 0.49 -0.02 0.00 2.56 0.00 0.00 35.95 39.22 2i2r h PHE 178 CO 0.02 -0.73 0.19 0.74 -2.02 0.00 0.00 178.31 176.51 2i2r h PHE 179 N -1.18 0.73 0.00 0.41 -1.00 -0.92 0.39 116.94 115.36 2i2r h PHE 179 Ca -0.10 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.63 2i2r h PHE 179 Cb 0.96 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2i2r h PHE 179 CO -0.14 0.61 0.00 1.04 -1.61 0.00 0.00 178.31 178.22 2i2r n GLN 180 N -4.58 0.17 -0.16 1.51 6.02 -0.26 -1.06 117.38 119.03 2i2r n GLN 180 Ca 0.01 0.49 0.08 0.00 -0.01 0.00 0.00 57.00 57.57 2i2r n GLN 180 Cb 0.15 -1.89 0.11 0.00 1.02 0.00 0.00 30.24 29.62 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 -2.23 1.02 0.00 -1.09 2.85 -0.97 -4.82 118.16 112.93 2i2r n LYS 181 Ca 0.01 -2.20 0.00 0.00 -1.05 0.00 0.00 58.31 55.07 2i2r n LYS 181 Cb 0.16 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 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 -1.10 0.00 -2.22 -1.58 0.00 0.09 -4.99 117.12 107.32 2i2r n MET 182 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.46 2i2r n MET 182 Cb 0.64 -0.26 -0.04 0.00 0.00 0.00 0.00 33.22 33.57 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 -4.49 5.58 0.08 6.12 2.15 -0.22 -4.65 116.67 121.23 2i2r s ASP 183 Ca 0.00 -0.35 -0.37 0.00 0.43 0.00 0.00 52.55 52.26 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 -2.25 1.56 0.50 -0.17 0.00 0.00 175.17 174.81 2i2r h LYS 184 N 12.24 -1.08 -0.00 4.34 3.64 -1.90 -3.23 116.57 130.59 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 1.07 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2i2r h LYS 184 CO 1.26 -0.72 -0.12 0.27 -2.27 0.00 0.00 179.45 177.87 2i2r n ASN 185 N -5.59 0.36 -0.41 4.20 6.94 -1.26 -4.93 115.26 114.57 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 -0.32 -0.17 -3.83 4.01 -1.22 -4.96 118.16 110.56 2i2r n LYS 186 Ca 0.13 0.07 0.10 0.00 -0.51 0.00 0.00 58.31 58.09 2i2r n LYS 186 Cb 0.29 -3.25 0.27 0.00 -0.51 0.00 0.00 35.03 31.83 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 1.48 2.40 -0.21 4.39 3.85 -1.26 -4.93 116.55 122.28 2i2r n ASP 187 Ca -0.01 -1.89 -0.03 0.00 -0.71 0.00 0.00 54.79 52.15 2i2r n ASP 187 Cb 0.51 -0.23 -0.01 0.00 -1.35 0.00 0.00 41.12 40.04 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 0.51 2.82 6.12 0.00 -1.26 -4.98 105.19 109.66 2i2r n GLY 188 Ca 0.17 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.77 0.44 -0.25 -0.61 -1.16 -1.26 -4.40 121.20 112.19 2i2r s ILE 189 Ca 0.00 0.02 -0.07 0.00 -0.51 0.00 0.00 60.65 60.09 2i2r s ILE 189 Cb 0.00 -0.54 -0.02 0.00 0.61 0.00 0.00 42.46 42.51 2i2r s ILE 189 CO 0.00 0.24 0.06 0.54 -2.81 0.00 0.00 174.94 172.97 2i2r s VAL 190 N 1.50 4.19 0.52 4.00 0.11 -0.87 -4.90 120.40 124.95 2i2r s VAL 190 Ca -0.02 -0.26 0.04 0.00 -2.93 0.00 0.00 61.98 58.81 2i2r s VAL 190 Cb -0.13 -2.98 0.04 0.00 -1.53 0.00 0.00 36.38 31.78 2i2r s VAL 190 CO -0.03 0.32 0.72 0.42 -3.33 0.00 0.00 175.10 173.20 2i2r s THR 191 N 1.59 2.70 0.11 5.04 -4.23 -1.26 -1.47 115.64 118.12 2i2r s THR 191 Ca 0.06 -0.81 -0.21 0.00 -1.18 0.00 0.00 61.69 59.55 2i2r s THR 191 Cb -0.15 -2.89 -0.09 0.00 1.34 0.00 0.00 72.50 70.71 2i2r s THR 191 CO 0.03 0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.11 2i2r h LEU 192 N 0.24 0.06 -1.15 4.79 5.85 -1.99 0.17 115.31 123.27 2i2r h LEU 192 Ca -0.40 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2i2r h LEU 192 Cb 1.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 2i2r h LEU 192 CO 0.47 0.05 0.35 0.44 -0.34 0.00 0.00 178.44 179.41 2i2r h ASP 193 N 0.11 0.84 -0.56 1.25 3.45 -1.95 0.51 116.42 120.08 2i2r h ASP 193 Ca 0.05 -0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.39 2i2r h ASP 193 Cb 0.03 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 2i2r h ASP 193 CO -0.05 0.70 0.14 -0.08 -1.57 0.00 0.00 179.24 178.38 2i2r h GLU 194 N 0.94 0.90 -0.15 3.56 4.81 -1.73 -1.12 114.58 121.79 2i2r h GLU 194 Ca 0.24 -0.21 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 2i2r h GLU 194 Cb 0.06 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2i2r h GLU 194 CO -0.04 0.83 -0.66 0.35 -0.73 0.00 0.00 179.01 178.77 2i2r h PHE 195 N 0.80 0.78 0.72 0.92 3.57 0.03 -2.33 116.94 121.44 2i2r h PHE 195 Ca 0.18 -0.31 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 2i2r h PHE 195 Cb 0.34 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 38.95 2i2r h PHE 195 CO 0.02 1.09 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.77 2i2r h LEU 196 N 0.43 -0.82 -1.85 0.59 3.38 0.13 -2.87 115.31 114.29 2i2r h LEU 196 Ca -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2i2r h LEU 196 Cb 1.24 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 2i2r h LEU 196 CO 0.13 -0.45 -0.02 1.05 0.09 0.00 0.00 178.44 179.24 2i2r h GLU 197 N -1.24 0.07 -0.28 1.13 -0.00 -1.32 -2.45 114.58 110.49 2i2r h GLU 197 Ca -0.10 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.36 59.15 2i2r h GLU 197 Cb 0.76 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.48 2i2r h GLU 197 CO 0.16 0.10 -0.28 1.03 -0.00 0.00 0.00 179.01 180.02 2i2r h SER 198 N 0.07 0.57 0.66 3.06 0.87 -1.43 -2.99 113.55 114.36 2i2r h SER 198 Ca 0.02 -0.21 -0.27 0.00 -1.23 0.00 0.00 61.79 60.10 2i2r h SER 198 Cb 0.08 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2i2r h SER 198 CO 0.00 0.83 -1.35 0.00 -0.53 0.00 0.00 176.83 175.78 2i2r h GLN 200 N 0.03 0.46 0.00 0.00 1.08 -1.45 -1.47 115.11 113.77 2i2r h GLN 200 Ca -0.16 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2i2r h GLN 200 Cb 1.93 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 29.26 2i2r h GLN 200 CO 0.14 0.37 -0.02 1.49 -0.95 0.00 0.00 178.83 179.87 2i2r h GLU 201 N 0.47 0.00 -5.17 1.46 4.81 -1.56 -3.41 114.58 111.18 2i2r h GLU 201 Ca 0.12 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.68 2i2r h GLU 201 Cb 0.07 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.28 2i2r h GLU 201 CO -0.02 0.02 0.78 0.34 -0.73 0.00 0.00 179.01 179.40 2i2r s ASP 202 N -5.75 6.50 0.37 1.04 -1.08 -0.55 -4.93 116.67 112.28 2i2r s ASP 202 Ca 0.01 -1.75 0.20 0.00 -0.52 0.00 0.00 52.55 50.49 2i2r s ASP 202 Cb 0.09 -2.41 1.25 0.00 -1.46 0.00 0.00 42.92 40.39 2i2r s ASP 202 CO 0.55 -1.17 1.63 -0.78 0.52 0.00 0.00 175.17 175.92 2i2r h ASP 203 N 9.06 0.39 0.22 -0.34 3.58 -1.82 -2.55 116.42 124.97 2i2r h ASP 203 Ca 0.04 0.20 -0.35 0.00 0.42 0.00 0.00 57.03 57.35 2i2r h ASP 203 Cb 1.04 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2i2r h ASP 203 CO 1.14 -0.24 -1.85 -0.55 -2.88 0.00 0.00 179.24 174.85 2i2r h ASN 204 N 0.16 0.42 -0.81 2.28 -1.07 -1.92 -2.87 115.58 111.78 2i2r h ASN 204 Ca 0.79 -0.80 0.19 0.00 0.07 0.00 0.00 56.30 56.55 2i2r h ASN 204 Cb 2.06 -0.14 -0.05 0.00 -2.07 0.00 0.00 38.32 38.12 2i2r h ASN 204 CO -0.62 1.70 0.55 0.40 0.07 0.00 0.00 177.43 179.53 2i2r h ILE 205 N 0.07 0.70 -0.19 6.14 2.04 -1.78 -2.03 117.51 122.46 2i2r h ILE 205 Ca -0.37 -0.10 -0.21 0.00 1.00 0.00 0.00 64.86 65.18 2i2r h ILE 205 Cb 2.05 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2i2r h ILE 205 CO 0.12 0.05 -0.71 -0.03 0.00 0.00 0.00 178.15 177.58 2i2r h MET 206 N 0.30 0.82 0.00 2.37 -1.53 -1.51 -2.80 114.93 112.58 2i2r h MET 206 Ca 0.41 -0.63 -0.04 0.00 -3.44 0.00 0.00 59.70 56.00 2i2r h MET 206 Cb 1.14 0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 32.30 2i2r h MET 206 CO -0.11 1.24 -0.20 0.00 0.14 0.00 0.00 176.91 177.97 2i2r h ARG 207 N 0.57 0.00 -0.09 0.39 -0.00 -1.15 -3.08 114.38 111.02 2i2r h ARG 207 Ca -0.04 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.40 2i2r h ARG 207 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.31 2i2r h ARG 207 CO 0.15 0.20 -0.11 1.03 0.00 0.00 0.00 179.97 181.25 2i2r h SER 208 N 0.00 0.25 -0.03 7.04 0.87 -1.38 -3.17 113.55 117.12 2i2r h SER 208 Ca -0.00 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.04 2i2r h SER 208 Cb 0.86 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 2i2r h SER 208 CO 0.03 0.70 0.02 -0.11 -0.53 0.00 0.00 176.83 176.94 2i2r n LEU 209 N -4.65 2.66 0.11 2.23 -0.00 -1.06 -4.12 117.00 112.18 2i2r n LEU 209 Ca -0.07 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.60 2i2r n LEU 209 Cb 0.34 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 2i2r n LEU 209 CO 0.37 0.46 0.00 0.00 -0.00 0.00 0.00 177.39 178.22 2i2r n GLN 210 N 0.34 0.00 -0.45 1.96 6.02 -1.22 -4.76 117.38 119.27 2i2r n GLN 210 Ca 0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.82 2i2r n GLN 210 Cb 0.48 -0.09 -0.03 0.00 1.02 0.00 0.00 30.24 31.61 2i2r n GLN 210 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2i2r n LEU 211 N -3.39 0.30 -4.60 1.08 7.99 -1.20 -4.50 117.00 112.68 2i2r n LEU 211 Ca 0.00 0.28 -0.43 0.00 -0.01 0.00 0.00 56.01 55.85 2i2r n LEU 211 Cb 0.00 -0.26 -0.03 0.00 -0.11 0.00 0.00 43.42 43.02 2i2r n LEU 211 CO 0.00 -0.24 1.69 0.12 -1.51 0.00 0.00 177.39 177.45 2i2r s PHE 212 N 1.25 1.50 -0.15 -1.77 5.36 -1.26 -4.98 117.98 117.93 2i2r s PHE 212 Ca 0.33 0.59 -0.25 0.00 -0.96 0.00 0.00 56.93 56.64 2i2r s PHE 212 Cb -0.44 -4.03 -0.02 0.00 -0.34 0.00 0.00 43.02 38.19 2i2r s PHE 212 CO 0.22 -3.48 0.81 1.14 -1.46 0.00 0.00 175.22 172.44 2i2r s GLN 213 N 6.01 4.32 -0.49 10.12 -2.07 -1.26 -5.01 119.66 131.28 2i2r s GLN 213 Ca 0.90 0.99 0.07 0.00 -1.82 0.00 0.00 55.36 55.50 2i2r s GLN 213 Cb -0.27 -3.55 0.37 0.00 -1.09 0.00 0.00 33.01 28.46 2i2r s GLN 213 CO 0.34 -0.26 0.95 0.27 -1.32 0.00 0.00 175.29 175.27 2i2r n ASN 214 N 4.96 3.63 -4.66 12.60 2.04 -1.26 -4.88 115.26 127.69 2i2r n ASN 214 Ca 0.03 -3.49 -0.65 0.00 -0.44 0.00 0.00 54.58 50.03 2i2r n ASN 214 Cb 0.49 -0.55 -0.09 0.00 -2.53 0.00 0.00 39.78 37.10 2i2r n ASN 214 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 2i2r n VAL 215 N -0.19 0.00 0.00 3.53 0.24 -1.26 -5.21 118.33 115.44 2i2r n VAL 215 Ca 0.30 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 2i2r n VAL 215 Cb 0.54 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2i2r n VAL 215 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49