#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2r n GLY 4 N 0.00 3.18 0.16 0.00 0.00 -1.26 -4.25 105.19 103.03 2i2r n GLY 4 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.18 2i2r n GLY 4 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2i2r h VAL 5 N 3.19 1.03 -0.90 1.61 3.04 -2.07 -3.17 116.25 118.99 2i2r h VAL 5 Ca 0.00 -1.84 0.21 0.00 -1.01 0.00 0.00 66.70 64.06 2i2r h VAL 5 Cb 1.50 2.09 -0.06 0.00 -2.01 0.00 0.00 31.29 32.81 2i2r h VAL 5 CO 0.27 0.47 0.60 0.00 -1.01 0.00 0.00 177.57 177.89 2i2r h ALA 6 N 1.52 2.30 0.00 3.17 0.00 -2.04 0.33 119.26 124.55 2i2r h ALA 6 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i2r h ALA 6 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2i2r h ALA 6 CO 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.73 2i2r n ALA 7 N -2.55 2.24 -0.03 0.00 0.00 -1.20 -2.95 120.51 116.03 2i2r n ALA 7 Ca 0.19 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2i2r n ALA 7 Cb 0.74 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.67 2i2r n ALA 7 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2i2r n TRP 8 N -1.15 0.00 0.25 0.00 7.02 0.10 -4.57 117.44 119.09 2i2r n TRP 8 Ca 0.14 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.69 2i2r n TRP 8 Cb 0.13 -0.58 0.60 0.00 -2.42 0.00 0.00 31.31 29.04 2i2r n TRP 8 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2i2r h LEU 9 N 0.00 0.01 -2.37 -0.99 3.38 -1.54 -2.80 115.31 111.00 2i2r h LEU 9 Ca -0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2i2r h LEU 9 Cb 1.23 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2i2r h LEU 9 CO 0.01 0.05 -0.02 1.55 0.09 0.00 0.00 178.44 180.12 2i2r h PRO 10 N 0.01 0.00 -0.06 1.13 0.13 -1.81 0.19 132.00 131.59 2i2r h PRO 10 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 2i2r h PRO 10 Cb 0.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 2i2r h PRO 10 CO 0.01 0.02 -0.19 0.74 -0.23 0.00 0.00 178.00 178.34 2i2r h PHE 11 N 0.00 0.10 0.13 1.56 0.05 -1.82 -0.41 116.94 116.55 2i2r h PHE 11 Ca -0.00 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 2i2r h PHE 11 Cb 0.05 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 37.97 2i2r h PHE 11 CO 0.00 0.29 -0.06 0.00 -0.18 0.00 0.00 178.31 178.36 2i2r h ALA 12 N 1.72 -0.17 -0.63 2.45 0.00 -0.88 -3.33 119.26 118.43 2i2r h ALA 12 Ca 0.02 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 54.87 2i2r h ALA 12 Cb 0.40 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2i2r h ALA 12 CO 0.03 -0.24 0.47 0.07 0.00 0.00 0.00 179.25 179.58 2i2r h ARG 13 N -0.89 0.00 -0.92 0.00 0.11 -0.64 0.11 114.38 112.15 2i2r h ARG 13 Ca -0.02 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.09 2i2r h ARG 13 Cb 0.53 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.56 2i2r h ARG 13 CO 0.03 0.00 0.61 0.00 0.10 0.00 0.00 179.97 180.71 2i2r h ALA 14 N 1.65 1.39 0.00 0.08 0.00 -1.17 -2.83 119.26 118.37 2i2r h ALA 14 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2i2r h ALA 14 Cb 1.23 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2i2r h ALA 14 CO -0.00 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2i2r n ALA 15 N -2.39 2.25 -0.02 0.00 0.00 0.39 -3.47 120.51 117.28 2i2r n ALA 15 Ca 0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2i2r n ALA 15 Cb 0.07 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.99 2i2r n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2r h ALA 16 N 3.01 -0.06 -0.83 0.00 0.00 -1.54 -3.48 119.26 116.36 2i2r h ALA 16 Ca 0.00 -0.33 -0.73 0.00 0.00 0.00 0.00 54.91 53.86 2i2r h ALA 16 Cb 0.41 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2i2r h ALA 16 CO 0.00 -0.16 0.54 -0.89 0.00 0.00 0.00 179.25 178.74 2i2r n ILE 17 N -4.78 0.00 0.00 0.00 5.41 -1.23 -2.62 119.36 116.15 2i2r n ILE 17 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2i2r n ILE 17 Cb 0.33 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 2i2r n ILE 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2i2r n GLY 18 N 3.19 1.47 0.00 7.39 0.00 -1.26 -5.05 105.19 110.94 2i2r n GLY 18 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2i2r n GLY 18 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2i2r n TRP 19 N -0.14 0.00 -1.69 1.61 4.27 -1.08 -5.16 117.44 115.25 2i2r n TRP 19 Ca 0.00 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.60 2i2r n TRP 19 Cb 0.00 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2i2r n TRP 19 CO 0.00 0.00 0.00 -0.12 -2.29 0.00 0.00 177.69 175.28 2i2r n MET 20 N 0.00 -0.69 0.00 -2.67 1.56 -1.26 -4.98 117.12 109.08 2i2r n MET 20 Ca 0.00 0.95 0.00 0.00 -0.27 0.00 0.00 57.70 58.38 2i2r n MET 20 Cb 0.00 -1.71 0.00 0.00 2.15 0.00 0.00 33.22 33.66 2i2r n MET 20 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2i2r n PRO 21 N 0.21 3.74 0.00 2.12 -0.05 -1.26 -4.20 135.00 135.55 2i2r n PRO 21 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.41 2i2r n PRO 21 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.51 2i2r n PRO 21 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 175.50 176.78 2i2r n VAL 22 N 0.00 0.00 0.00 0.52 0.24 -1.26 -3.41 118.33 114.42 2i2r n VAL 22 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2i2r n VAL 22 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2i2r n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i2r n ALA 23 N 0.82 0.00 0.00 2.33 0.00 -1.26 -4.83 120.51 117.57 2i2r n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2r n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2i2r n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2r n ASN 24 N -1.81 0.00 -2.68 0.00 3.02 -1.22 -4.94 115.26 107.64 2i2r n ASN 24 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 2i2r n ASN 24 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 2i2r n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i2r h PRO 26 N 2.21 0.52 -7.16 0.00 0.13 -1.87 -3.24 132.00 122.58 2i2r h PRO 26 Ca -0.30 -0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.27 2i2r h PRO 26 Cb 1.20 -0.12 0.19 0.00 0.13 0.00 0.00 31.00 32.41 2i2r h PRO 26 CO -0.00 0.34 0.16 -1.33 -0.23 0.00 0.00 178.00 176.94 2i2r n MET 27 N -4.94 -0.14 0.00 0.86 2.81 -1.26 -4.70 117.12 109.75 2i2r n MET 27 Ca 0.20 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2i2r n MET 27 Cb 0.55 -2.33 0.00 0.00 -0.71 0.00 0.00 33.22 30.73 2i2r n MET 27 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2i2r n PRO 28 N -3.43 0.00 -3.10 0.03 -0.02 -1.26 -2.37 135.00 124.85 2i2r n PRO 28 Ca 0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.34 2i2r n PRO 28 Cb 0.51 -0.62 -0.05 0.00 -0.02 0.00 0.00 33.50 33.32 2i2r n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2i2r n LEU 29 N 0.05 3.79 0.00 2.45 4.32 -1.26 -5.06 117.00 121.30 2i2r n LEU 29 Ca 0.00 -5.52 0.00 0.00 -0.02 0.00 0.00 56.01 50.47 2i2r n LEU 29 Cb 0.00 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 2i2r n LEU 29 CO 0.00 2.26 0.00 0.00 -1.22 0.00 0.00 177.39 178.43 2i2r n ALA 30 N 0.15 0.00 0.06 -1.18 0.00 -1.00 -4.79 120.51 113.76 2i2r n ALA 30 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2i2r n ALA 30 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2i2r n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2i2r n PRO 31 N 0.00 0.00 -3.04 0.00 -0.03 -1.26 -4.85 135.00 125.82 2i2r n PRO 31 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 63.50 63.08 2i2r n PRO 31 Cb 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 33.50 33.41 2i2r n PRO 31 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 175.50 175.47 2i2r s ALA 32 N -2.00 3.43 0.00 3.55 0.00 -1.26 -5.02 121.76 120.46 2i2r s ALA 32 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2i2r s ALA 32 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2i2r s ALA 32 CO 0.00 0.19 0.00 -0.25 0.00 0.00 0.00 175.76 175.70 2i2r n ASP 33 N 2.27 1.45 -4.32 0.00 10.43 -1.26 -5.09 116.55 120.03 2i2r n ASP 33 Ca -0.05 0.00 -0.46 0.00 2.57 0.00 0.00 54.79 56.85 2i2r n ASP 33 Cb 0.50 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.41 2i2r n ASP 33 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 2i2r s LYS 34 N 3.16 3.09 -0.85 -1.24 0.00 -1.26 -5.01 119.74 117.63 2i2r s LYS 34 Ca 0.00 -1.76 -0.33 0.00 0.00 0.00 0.00 55.97 53.88 2i2r s LYS 34 Cb 0.00 -4.32 -0.20 0.00 0.00 0.00 0.00 37.83 33.31 2i2r s LYS 34 CO 0.00 -1.36 2.57 0.09 0.00 0.00 0.00 175.35 176.65 2i2r n ASN 35 N 5.24 0.60 -4.26 0.03 3.02 -1.26 -4.78 115.26 113.85 2i2r n ASN 35 Ca -0.09 0.21 -0.34 0.00 -0.03 0.00 0.00 54.58 54.33 2i2r n ASN 35 Cb 0.41 -0.99 0.12 0.00 -0.61 0.00 0.00 39.78 38.72 2i2r n ASN 35 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2i2r n LYS 36 N 8.37 -0.80 0.00 3.52 4.76 -1.26 -5.02 118.16 127.74 2i2r n LYS 36 Ca 0.61 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2i2r n LYS 36 Cb 0.07 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 2i2r n LYS 36 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2i2r n ARG 37 N -0.87 1.29 -0.37 1.97 1.74 -1.26 -5.10 116.66 114.07 2i2r n ARG 37 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2i2r n ARG 37 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 2i2r n ARG 37 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2i2r n GLN 38 N 0.00 0.00 -5.01 5.56 7.27 -1.26 -5.18 117.38 118.76 2i2r n GLN 38 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 2i2r n GLN 38 Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 2i2r n GLN 38 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2i2r s ASP 39 N 0.63 2.57 0.17 1.69 3.68 -1.26 -5.02 116.67 119.13 2i2r s ASP 39 Ca 0.00 -0.42 0.08 0.00 2.13 0.00 0.00 52.55 54.34 2i2r s ASP 39 Cb 0.00 -0.27 -0.04 0.00 -1.45 0.00 0.00 42.92 41.15 2i2r s ASP 39 CO 0.00 0.25 -0.17 -1.61 0.13 0.00 0.00 175.17 173.77 2i2r s GLU 40 N -0.63 1.26 0.07 4.34 2.02 -1.26 -5.02 118.70 119.48 2i2r s GLU 40 Ca 0.08 -1.43 -0.23 0.00 0.02 0.00 0.00 54.97 53.42 2i2r s GLU 40 Cb -0.09 -1.25 -0.06 0.00 0.10 0.00 0.00 34.13 32.83 2i2r s GLU 40 CO -0.00 0.25 0.68 -0.51 0.02 0.00 0.00 175.26 175.69 2i2r s LEU 41 N -2.77 4.50 0.18 1.80 1.02 -1.26 -0.88 118.68 121.27 2i2r s LEU 41 Ca 0.16 1.38 0.07 0.00 0.02 0.00 0.00 54.13 55.76 2i2r s LEU 41 Cb -0.05 -3.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.03 2i2r s LEU 41 CO 0.06 0.14 0.07 0.27 0.02 0.00 0.00 176.35 176.92 2i2r s ILE 42 N -0.60 4.08 -0.28 -0.59 -4.36 0.21 -4.88 121.20 114.78 2i2r s ILE 42 Ca 0.34 -1.32 -0.02 0.00 -0.26 0.00 0.00 60.65 59.38 2i2r s ILE 42 Cb -0.20 -3.09 0.04 0.00 1.25 0.00 0.00 42.46 40.45 2i2r s ILE 42 CO 0.21 -0.15 -0.01 -0.69 0.24 0.00 0.00 174.94 174.54 2i2r s VAL 43 N -1.82 3.07 -0.47 8.37 1.01 -1.26 -1.98 120.40 127.31 2i2r s VAL 43 Ca 0.30 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 2i2r s VAL 43 Cb -0.09 -2.66 0.10 0.00 0.00 0.00 0.00 36.38 33.73 2i2r s VAL 43 CO 0.21 0.03 0.37 -0.76 0.00 0.00 0.00 175.10 174.95 2i2r s LEU 44 N 1.31 5.63 -0.30 3.92 1.43 0.24 -2.63 118.68 128.29 2i2r s LEU 44 Ca -0.02 -1.64 -0.29 0.00 -1.03 0.00 0.00 54.13 51.15 2i2r s LEU 44 Cb -0.18 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.96 2i2r s LEU 44 CO -0.02 -0.67 1.19 0.21 0.23 0.00 0.00 176.35 177.29 2i2r s ASN 45 N 2.70 6.82 -0.44 2.29 3.84 0.21 -0.01 114.94 130.35 2i2r s ASN 45 Ca 0.04 1.17 0.04 0.00 0.21 0.00 0.00 52.86 54.32 2i2r s ASN 45 Cb -0.26 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.02 2i2r s ASN 45 CO 0.03 -0.96 0.18 -0.69 -2.79 0.00 0.00 177.10 172.87 2i2r s VAL 46 N 3.95 2.31 -0.31 -5.21 1.01 0.13 -0.77 120.40 121.51 2i2r s VAL 46 Ca 0.51 -2.86 0.00 0.00 0.00 0.00 0.00 61.98 59.63 2i2r s VAL 46 Cb -0.15 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2i2r s VAL 46 CO 0.19 -0.74 0.00 -1.54 0.00 0.00 0.00 175.10 173.01 2i2r n SER 47 N 3.59 -5.58 0.00 3.32 3.41 -0.34 -2.62 113.62 115.40 2i2r n SER 47 Ca 0.05 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2i2r n SER 47 Cb 0.36 -3.34 0.00 0.00 -0.26 0.00 0.00 64.21 60.97 2i2r n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i2r n GLY 48 N 0.34 3.20 3.65 5.00 0.00 -1.26 -5.04 105.19 111.08 2i2r n GLY 48 Ca -0.03 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2i2r n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2r n ARG 49 N 0.00 2.77 -3.01 1.61 5.12 -1.08 -4.89 116.66 117.18 2i2r n ARG 49 Ca 0.00 1.00 -0.44 0.00 -1.93 0.00 0.00 57.85 56.48 2i2r n ARG 49 Cb 0.00 -3.03 -0.04 0.00 -1.16 0.00 0.00 32.46 28.24 2i2r n ARG 49 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2i2r s ARG 50 N 4.65 3.24 0.37 5.56 0.52 -1.26 0.21 118.95 132.24 2i2r s ARG 50 Ca 0.90 -1.37 -0.25 0.00 -0.52 0.00 0.00 55.73 54.49 2i2r s ARG 50 Cb -0.43 -4.43 -0.09 0.00 0.52 0.00 0.00 34.95 30.52 2i2r s ARG 50 CO 0.42 -1.66 1.04 -0.06 0.02 0.00 0.00 175.30 175.05 2i2r s PHE 51 N 2.91 3.39 -0.03 -0.53 0.08 0.99 -4.87 117.98 119.91 2i2r s PHE 51 Ca 0.20 1.68 0.03 0.00 0.12 0.00 0.00 56.93 58.96 2i2r s PHE 51 Cb -0.16 -3.12 -0.00 0.00 -0.57 0.00 0.00 43.02 39.17 2i2r s PHE 51 CO 0.02 -0.47 -0.12 -0.65 -0.10 0.00 0.00 175.22 173.90 2i2r s GLN 52 N -2.26 1.21 0.11 0.44 -0.21 -1.26 0.83 119.66 118.52 2i2r s GLN 52 Ca 0.54 -0.43 -0.19 0.00 0.02 0.00 0.00 55.36 55.31 2i2r s GLN 52 Cb -0.23 -1.11 0.04 0.00 1.00 0.00 0.00 33.01 32.71 2i2r s GLN 52 CO 0.29 0.20 0.46 -0.08 -2.12 0.00 0.00 175.29 174.03 2i2r s THR 53 N 0.01 0.05 0.16 -0.19 -1.32 -0.84 -4.99 115.64 108.53 2i2r s THR 53 Ca -0.01 -0.40 -0.30 0.00 -1.21 0.00 0.00 61.69 59.77 2i2r s THR 53 Cb -0.08 -1.08 -0.07 0.00 -1.51 0.00 0.00 72.50 69.75 2i2r s THR 53 CO 0.01 -0.22 1.16 0.26 -2.21 0.00 0.00 174.62 173.61 2i2r s TRP 54 N -3.40 3.49 0.21 9.09 0.52 -1.26 0.64 118.94 128.24 2i2r s TRP 54 Ca 0.00 1.48 -0.09 0.00 0.02 0.00 0.00 56.10 57.50 2i2r s TRP 54 Cb 0.01 -3.37 0.31 0.00 -1.15 0.00 0.00 33.47 29.27 2i2r s TRP 54 CO -0.09 -0.98 1.70 -0.09 0.02 0.00 0.00 176.95 177.51 2i2r h ARG 55 N 5.42 0.23 -0.99 4.98 2.43 -1.35 0.37 114.38 125.48 2i2r h ARG 55 Ca -0.44 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 58.90 2i2r h ARG 55 Cb 1.21 -0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.60 2i2r h ARG 55 CO 0.75 0.16 0.59 1.79 -1.51 0.00 0.00 179.97 181.74 2i2r h THR 56 N 0.24 0.70 -0.98 0.20 1.35 -1.92 -0.39 112.91 112.10 2i2r h THR 56 Ca 0.33 -0.25 0.16 0.00 -0.55 0.00 0.00 66.41 66.09 2i2r h THR 56 Cb 0.50 -0.11 -0.09 0.00 -1.73 0.00 0.00 68.15 66.72 2i2r h THR 56 CO -0.43 0.13 0.61 0.74 -0.25 0.00 0.00 175.52 176.33 2i2r h THR 57 N 0.74 0.79 0.08 6.82 2.02 -0.61 -1.23 112.91 121.52 2i2r h THR 57 Ca 0.57 -0.27 -0.28 0.00 0.77 0.00 0.00 66.41 67.20 2i2r h THR 57 Cb 0.89 -0.07 0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2i2r h THR 57 CO -0.39 0.14 -1.17 -0.07 0.37 0.00 0.00 175.52 174.41 2i2r h LEU 58 N 0.79 0.82 -1.23 2.58 3.38 -1.06 -3.18 115.31 117.40 2i2r h LEU 58 Ca 0.52 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2i2r h LEU 58 Cb 0.77 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2i2r h LEU 58 CO -0.29 1.53 0.08 -0.62 0.09 0.00 0.00 178.44 179.22 2i2r n GLU 59 N -3.78 0.12 0.15 1.13 1.02 -0.49 -3.02 120.64 115.76 2i2r n GLU 59 Ca -0.12 0.61 0.04 0.00 -0.02 0.00 0.00 57.16 57.67 2i2r n GLU 59 Cb 0.95 -1.97 0.46 0.00 -0.02 0.00 0.00 31.44 30.86 2i2r n GLU 59 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2i2r h ARG 60 N 0.00 0.19 -2.92 3.49 2.43 -1.46 -3.16 114.38 112.96 2i2r h ARG 60 Ca 0.00 -0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.53 2i2r h ARG 60 Cb 0.15 -0.03 -0.41 0.00 -0.42 0.00 0.00 29.97 29.26 2i2r h ARG 60 CO 0.00 0.27 -0.70 0.71 -1.51 0.00 0.00 179.97 178.74 2i2r s TYR 61 N -4.88 2.72 1.08 2.20 1.51 -1.17 -5.10 117.35 113.72 2i2r s TYR 61 Ca -0.05 -2.96 -0.15 0.00 -1.01 0.00 0.00 57.07 52.90 2i2r s TYR 61 Cb 0.16 -2.16 0.23 0.00 -0.11 0.00 0.00 41.96 40.07 2i2r s TYR 61 CO 0.71 -0.66 1.10 -1.25 -1.11 0.00 0.00 175.55 174.34 2i2r s PRO 62 N -0.75 -0.21 -1.00 -1.71 0.04 -1.20 -3.34 135.00 126.83 2i2r s PRO 62 Ca 0.25 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2i2r s PRO 62 Cb -0.07 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2i2r s PRO 62 CO -0.14 -3.11 0.00 -0.40 0.04 0.00 0.00 177.00 173.39 2i2r n ASP 63 N -4.40 -4.56 -4.19 6.66 3.85 -1.26 -4.83 116.55 107.82 2i2r n ASP 63 Ca 0.08 0.23 -0.26 0.00 -0.71 0.00 0.00 54.79 54.13 2i2r n ASP 63 Cb 0.58 -2.89 -0.15 0.00 -1.35 0.00 0.00 41.12 37.31 2i2r n ASP 63 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2i2r s THR 64 N -2.21 1.49 0.00 2.12 -4.23 -1.21 -4.94 115.64 106.66 2i2r s THR 64 Ca 0.00 -0.83 -0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2i2r s THR 64 Cb 0.00 -1.24 -0.00 0.00 1.34 0.00 0.00 72.50 72.60 2i2r s THR 64 CO 0.00 0.40 0.02 -0.11 -0.54 0.00 0.00 174.62 174.39 2i2r n LEU 65 N 2.55 -0.01 -0.01 4.79 0.00 -0.72 -0.10 117.00 123.49 2i2r n LEU 65 Ca -0.15 0.02 -0.16 0.00 0.00 0.00 0.00 56.01 55.72 2i2r n LEU 65 Cb 0.54 -0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.84 2i2r n LEU 65 CO 0.24 -0.02 0.33 -0.07 0.00 0.00 0.00 177.39 177.87 2i2r h LEU 66 N 0.00 0.38 -2.47 -1.96 4.07 -1.92 -2.78 115.31 110.62 2i2r h LEU 66 Ca 0.00 -0.76 0.01 0.00 0.08 0.00 0.00 57.88 57.22 2i2r h LEU 66 Cb 0.00 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 2i2r h LEU 66 CO -0.01 1.09 0.16 1.23 -1.08 0.00 0.00 178.44 179.83 2i2r h GLY 67 N -0.29 0.00 0.00 0.83 0.00 -0.60 -3.45 103.07 99.57 2i2r h GLY 67 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2i2r h GLY 67 CO 0.08 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.48 2i2r n SER 68 N -3.21 0.35 0.11 0.19 3.41 0.26 -4.23 113.62 110.48 2i2r n SER 68 Ca -0.02 -0.18 0.02 0.00 -0.26 0.00 0.00 58.87 58.43 2i2r n SER 68 Cb 0.23 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2i2r n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i2r h THR 69 N 0.03 0.75 -0.80 6.66 1.03 -1.86 -3.38 112.91 115.34 2i2r h THR 69 Ca 0.00 -2.14 0.19 0.00 -0.01 0.00 0.00 66.41 64.45 2i2r h THR 69 Cb 0.00 2.30 -0.13 0.00 -1.07 0.00 0.00 68.15 69.24 2i2r h THR 69 CO 0.00 0.43 0.09 -0.08 -0.01 0.00 0.00 175.52 175.94 2i2r h GLU 70 N 0.00 0.14 0.00 0.00 4.81 -1.92 -0.02 114.58 117.59 2i2r h GLU 70 Ca -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2i2r h GLU 70 Cb 1.43 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.78 2i2r h GLU 70 CO 0.06 0.09 0.24 1.57 -0.73 0.00 0.00 179.01 180.24 2i2r h LYS 71 N 0.15 0.00 -0.20 1.92 2.10 -1.68 -0.64 116.57 118.21 2i2r h LYS 71 Ca 0.46 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 59.16 2i2r h LYS 71 Cb 0.84 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 2i2r h LYS 71 CO -0.66 0.00 0.17 1.49 -2.00 0.00 0.00 179.45 178.45 2i2r h GLU 72 N 0.00 0.00 0.00 0.07 4.57 -1.30 0.97 114.58 118.89 2i2r h GLU 72 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2i2r h GLU 72 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2i2r h GLU 72 CO 0.00 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 2i2r n PHE 73 N -4.14 0.00 0.04 0.92 3.72 -0.25 -2.54 117.46 115.21 2i2r n PHE 73 Ca 0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 2i2r n PHE 73 Cb 0.30 -0.35 0.04 0.00 -0.94 0.00 0.00 39.48 38.53 2i2r n PHE 73 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2i2r n PHE 74 N -1.35 0.10 -2.91 1.38 3.01 0.33 -5.00 117.46 113.01 2i2r n PHE 74 Ca 0.06 -0.28 -0.40 0.00 1.01 0.00 0.00 57.45 57.84 2i2r n PHE 74 Cb 0.14 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 2i2r n PHE 74 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2i2r s PHE 75 N -0.71 3.85 -0.28 1.38 2.19 -1.05 -1.60 117.98 121.75 2i2r s PHE 75 Ca 0.07 1.65 -0.08 0.00 0.33 0.00 0.00 56.93 58.89 2i2r s PHE 75 Cb 0.04 -2.86 -0.02 0.00 -1.31 0.00 0.00 43.02 38.87 2i2r s PHE 75 CO 0.06 0.38 0.11 1.21 1.83 0.00 0.00 175.22 178.80 2i2r s ASN 76 N -0.60 5.36 0.19 6.13 3.84 0.28 -4.96 114.94 125.18 2i2r s ASN 76 Ca 0.39 -0.35 -0.14 0.00 0.21 0.00 0.00 52.86 52.97 2i2r s ASN 76 Cb -0.23 -1.96 0.19 0.00 -0.55 0.00 0.00 41.25 38.70 2i2r s ASN 76 CO 0.27 -0.11 1.68 -0.08 -2.79 0.00 0.00 177.10 176.07 2i2r h GLU 77 N 8.29 0.11 0.00 0.43 4.57 -1.96 0.64 114.58 126.67 2i2r h GLU 77 Ca -0.35 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2i2r h GLU 77 Cb 1.16 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2i2r h GLU 77 CO 0.59 0.08 0.00 -0.25 -1.18 0.00 0.00 179.01 178.25 2i2r n ASP 78 N -5.23 0.00 0.25 1.04 8.00 -1.26 -3.54 116.55 115.81 2i2r n ASP 78 Ca 0.05 0.58 0.10 0.00 0.71 0.00 0.00 54.79 56.23 2i2r n ASP 78 Cb 0.27 -0.35 0.53 0.00 -0.02 0.00 0.00 41.12 41.55 2i2r n ASP 78 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2i2r h THR 79 N 0.00 0.00 -5.30 -3.53 1.35 -2.01 -3.44 112.91 99.98 2i2r h THR 79 Ca 0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 65.46 2i2r h THR 79 Cb 0.00 0.43 0.10 0.00 -1.73 0.00 0.00 68.15 66.96 2i2r h THR 79 CO 0.00 0.00 -0.65 1.17 -0.25 0.00 0.00 175.52 175.79 2i2r n LYS 80 N -2.43 -6.71 -3.72 4.72 3.00 0.20 -4.99 118.16 108.23 2i2r n LYS 80 Ca -0.01 0.86 -0.12 0.00 -0.00 0.00 0.00 58.31 59.04 2i2r n LYS 80 Cb 0.39 -5.84 -0.07 0.00 0.00 0.00 0.00 35.03 29.51 2i2r n LYS 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2i2r s GLU 81 N -6.08 0.88 0.05 1.64 -1.05 -1.11 -4.92 118.70 108.12 2i2r s GLU 81 Ca 0.48 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 54.46 2i2r s GLU 81 Cb -0.21 0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 2i2r s GLU 81 CO 0.59 -0.30 1.12 0.71 0.95 0.00 0.00 175.26 178.33 2i2r s TYR 82 N -2.82 3.52 -0.08 4.83 1.51 -1.08 -0.56 117.35 122.67 2i2r s TYR 82 Ca -0.03 1.44 0.04 0.00 -1.01 0.00 0.00 57.07 57.51 2i2r s TYR 82 Cb 0.00 -3.32 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 2i2r s TYR 82 CO -0.05 -0.84 -0.19 0.12 -1.11 0.00 0.00 175.55 173.48 2i2r s PHE 83 N 0.98 2.09 -0.08 2.71 5.36 -0.63 0.66 117.98 129.07 2i2r s PHE 83 Ca 0.56 -0.79 0.03 0.00 -0.96 0.00 0.00 56.93 55.77 2i2r s PHE 83 Cb -0.27 -1.42 0.01 0.00 -0.34 0.00 0.00 43.02 41.00 2i2r s PHE 83 CO 0.29 -0.33 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.51 2i2r s PHE 84 N 0.37 1.81 -0.35 10.12 0.08 0.05 -4.85 117.98 125.21 2i2r s PHE 84 Ca -0.14 -0.70 -0.01 0.00 0.12 0.00 0.00 56.93 56.19 2i2r s PHE 84 Cb -0.16 -1.28 0.24 0.00 -0.57 0.00 0.00 43.02 41.25 2i2r s PHE 84 CO 0.06 -0.32 2.01 -3.47 -0.10 0.00 0.00 175.22 173.40 2i2r n ASP 85 N 3.73 6.52 -5.00 1.36 2.03 -1.26 -1.20 116.55 122.73 2i2r n ASP 85 Ca -0.22 -3.12 -0.20 0.00 0.52 0.00 0.00 54.79 51.77 2i2r n ASP 85 Cb 0.52 -1.05 0.07 0.00 -0.72 0.00 0.00 41.12 39.94 2i2r n ASP 85 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2i2r s ARG 86 N -1.98 2.25 0.18 -0.67 1.81 -1.26 -4.92 118.95 114.36 2i2r s ARG 86 Ca 0.34 -1.58 -0.31 0.00 -1.72 0.00 0.00 55.73 52.45 2i2r s ARG 86 Cb 0.26 -2.62 -0.10 0.00 -0.45 0.00 0.00 34.95 32.05 2i2r s ARG 86 CO -0.00 -0.91 1.54 0.34 -0.68 0.00 0.00 175.30 175.59 2i2r s ASP 87 N -4.67 6.61 0.14 0.23 2.15 -1.26 -4.14 116.67 115.73 2i2r s ASP 87 Ca 0.62 2.61 0.03 0.00 0.43 0.00 0.00 52.55 56.25 2i2r s ASP 87 Cb -0.06 -2.60 -0.08 0.00 -0.30 0.00 0.00 42.92 39.88 2i2r s ASP 87 CO 0.39 -0.80 1.33 1.55 -0.17 0.00 0.00 175.17 177.47 2i2r h PRO 88 N 6.50 0.14 0.81 4.34 0.13 -1.95 -3.28 132.00 138.67 2i2r h PRO 88 Ca -0.43 -0.18 -0.04 0.00 -0.87 0.00 0.00 66.00 64.49 2i2r h PRO 88 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2i2r h PRO 88 CO 0.89 0.99 -0.44 1.49 -0.23 0.00 0.00 178.00 180.70 2i2r h GLU 89 N 0.06 -1.11 -0.85 0.86 4.57 -1.93 -2.98 114.58 113.21 2i2r h GLU 89 Ca -0.05 0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 2i2r h GLU 89 Cb 1.63 0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 30.42 2i2r h GLU 89 CO 0.14 -0.74 0.55 0.28 -1.18 0.00 0.00 179.01 178.07 2i2r h VAL 90 N -1.15 1.06 -1.02 0.32 2.07 -1.99 0.52 116.25 116.06 2i2r h VAL 90 Ca -0.11 -0.33 0.28 0.00 0.82 0.00 0.00 66.70 67.37 2i2r h VAL 90 Cb 0.90 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2i2r h VAL 90 CO 0.15 0.17 0.71 0.15 0.02 0.00 0.00 177.57 178.77 2i2r h PHE 91 N 0.95 0.25 -0.57 1.57 3.57 -1.58 0.23 116.94 121.35 2i2r h PHE 91 Ca 0.36 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.99 2i2r h PHE 91 Cb 0.20 -0.07 -0.11 0.00 2.79 0.00 0.00 35.95 38.75 2i2r h PHE 91 CO -0.00 0.03 -0.13 0.00 -2.23 0.00 0.00 178.31 175.98 2i2r h ARG 92 N 0.16 0.01 -0.08 1.11 3.08 -0.80 0.17 114.38 118.02 2i2r h ARG 92 Ca 0.52 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 2i2r h ARG 92 Cb 1.76 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.80 2i2r h ARG 92 CO -0.11 0.01 -0.02 0.00 -1.07 0.00 0.00 179.97 178.78 2i2r h VAL 94 N -0.16 0.66 -0.02 0.00 2.07 -1.25 0.31 116.25 117.85 2i2r h VAL 94 Ca 0.02 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2i2r h VAL 94 Cb 0.41 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2i2r h VAL 94 CO 0.01 0.03 0.01 0.25 0.02 0.00 0.00 177.57 177.89 2i2r h LEU 95 N 0.18 0.03 -2.24 2.57 5.85 -0.37 -2.23 115.31 119.10 2i2r h LEU 95 Ca 0.26 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2i2r h LEU 95 Cb 0.37 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2i2r h LEU 95 CO -0.38 0.20 0.25 0.78 -0.34 0.00 0.00 178.44 178.95 2i2r h ASN 96 N -0.14 0.00 -0.01 1.25 2.35 0.39 0.24 115.58 119.67 2i2r h ASN 96 Ca 0.01 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 2i2r h ASN 96 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2i2r h ASN 96 CO -0.00 0.00 -0.45 0.15 -1.65 0.00 0.00 177.43 175.48 2i2r h PHE 97 N 0.00 0.67 0.00 1.19 3.04 0.20 -2.24 116.94 119.80 2i2r h PHE 97 Ca 0.07 -0.21 -0.03 0.00 3.98 0.00 0.00 57.97 61.79 2i2r h PHE 97 Cb 0.56 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.93 2i2r h PHE 97 CO 0.00 0.90 -0.13 1.88 -2.02 0.00 0.00 178.31 178.95 2i2r h TYR 98 N 0.45 0.00 0.00 0.41 -1.99 -0.42 -3.38 116.97 112.04 2i2r h TYR 98 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2i2r h TYR 98 Cb 0.96 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.69 2i2r h TYR 98 CO 0.04 0.13 0.00 0.54 -0.00 0.00 0.00 178.16 178.86 2i2r n ARG 99 N -3.25 0.00 -2.18 4.88 1.74 -0.89 -4.81 116.66 112.14 2i2r n ARG 99 Ca 0.01 0.27 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 2i2r n ARG 99 Cb 0.39 -0.73 -0.01 0.00 -1.02 0.00 0.00 32.46 31.08 2i2r n ARG 99 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2i2r s THR 100 N -0.65 4.51 0.60 0.55 -4.23 -0.91 -4.96 115.64 110.54 2i2r s THR 100 Ca 0.00 1.07 0.31 0.00 -1.18 0.00 0.00 61.69 61.88 2i2r s THR 100 Cb 0.00 -3.72 0.36 0.00 1.34 0.00 0.00 72.50 70.48 2i2r s THR 100 CO 0.00 -0.82 2.18 1.23 -0.54 0.00 0.00 174.62 176.68 2i2r h GLY 101 N 0.44 0.00 -4.38 3.99 0.00 -1.85 -3.38 103.07 97.89 2i2r h GLY 101 Ca -0.46 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.34 2i2r h GLY 101 CO 0.61 0.00 0.28 0.54 0.00 0.00 0.00 176.54 177.97 2i2r s LYS 102 N -4.57 4.59 -0.26 4.80 1.02 -1.26 -4.90 119.74 119.16 2i2r s LYS 102 Ca -0.05 1.28 -0.14 0.00 0.02 0.00 0.00 55.97 57.09 2i2r s LYS 102 Cb 0.15 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2i2r s LYS 102 CO 0.52 0.17 0.31 -1.17 -0.92 0.00 0.00 175.35 174.26 2i2r s LEU 103 N 0.26 4.05 0.00 3.17 2.96 -1.26 -4.04 118.68 123.82 2i2r s LEU 103 Ca 0.45 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2i2r s LEU 103 Cb -0.22 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2i2r s LEU 103 CO 0.26 -0.12 0.09 -1.00 -1.32 0.00 0.00 176.35 174.26 2i2r s HIS 104 N 1.82 3.29 -0.42 5.38 3.76 -1.26 -3.07 115.29 124.78 2i2r s HIS 104 Ca 0.13 0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 55.05 2i2r s HIS 104 Cb -0.15 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.82 2i2r s HIS 104 CO 0.09 0.55 0.55 -0.47 -0.85 0.00 0.00 174.74 174.62 2i2r s TYR 105 N -1.22 3.12 -0.46 1.40 5.04 -1.26 -4.96 117.35 119.01 2i2r s TYR 105 Ca 0.24 -0.14 -0.26 0.00 -2.44 0.00 0.00 57.07 54.46 2i2r s TYR 105 Cb -0.12 -3.14 -0.07 0.00 0.35 0.00 0.00 41.96 38.98 2i2r s TYR 105 CO 0.15 -0.77 2.40 -0.35 -1.34 0.00 0.00 175.55 175.64 2i2r n PRO 106 N 5.96 1.14 0.00 4.97 -0.04 -1.26 -4.83 135.00 140.95 2i2r n PRO 106 Ca -0.04 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2i2r n PRO 106 Cb 0.48 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 2i2r n PRO 106 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2i2r n ARG 107 N 8.96 0.08 0.00 0.54 1.74 -1.26 -1.79 116.66 124.93 2i2r n ARG 107 Ca 0.37 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2i2r n ARG 107 Cb 0.52 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 2i2r n ARG 107 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2i2r n TYR 108 N 0.76 0.00 -1.21 -1.55 0.18 -1.26 -5.10 117.16 108.98 2i2r n TYR 108 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 2i2r n TYR 108 Cb 0.03 0.09 0.12 0.00 -0.38 0.00 0.00 39.34 39.20 2i2r n TYR 108 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2i2r s GLU 109 N -1.77 1.79 0.21 -3.48 0.41 -0.74 -4.96 118.70 110.17 2i2r s GLU 109 Ca 0.00 1.74 -0.30 0.00 -0.41 0.00 0.00 54.97 56.01 2i2r s GLU 109 Cb 0.00 -1.79 -0.08 0.00 -1.78 0.00 0.00 34.13 30.47 2i2r s GLU 109 CO 0.00 -2.09 1.07 0.00 -0.49 0.00 0.00 175.26 173.74 2i2r h ILE 111 N 3.49 0.00 -0.75 0.00 1.08 -1.93 -2.16 117.51 117.23 2i2r h ILE 111 Ca -0.45 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.19 2i2r h ILE 111 Cb 1.21 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.84 2i2r h ILE 111 CO 0.70 0.00 0.08 -1.28 -0.69 0.00 0.00 178.15 176.96 2i2r h SER 112 N -0.12 -0.20 -0.97 1.72 0.87 -1.94 0.16 113.55 113.08 2i2r h SER 112 Ca 0.02 0.18 0.24 0.00 -1.23 0.00 0.00 61.79 61.00 2i2r h SER 112 Cb 0.16 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 2i2r h SER 112 CO -0.15 -0.13 0.65 0.00 -0.53 0.00 0.00 176.83 176.66 2i2r h ALA 113 N 1.68 2.36 0.00 6.23 0.00 -1.79 -2.43 119.26 125.31 2i2r h ALA 113 Ca 0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2i2r h ALA 113 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2i2r h ALA 113 CO -0.61 -0.69 -1.38 0.98 0.00 0.00 0.00 179.25 177.55 2i2r n TYR 114 N -4.49 0.00 -0.03 0.00 9.36 0.40 -3.68 117.16 118.71 2i2r n TYR 114 Ca 0.22 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.31 2i2r n TYR 114 Cb 0.83 -0.24 -0.09 0.00 -0.63 0.00 0.00 39.34 39.22 2i2r n TYR 114 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2i2r h ASP 115 N 0.00 0.13 -0.74 2.98 3.32 -0.87 -2.25 116.42 118.99 2i2r h ASP 115 Ca 0.00 -0.46 0.13 0.00 0.02 0.00 0.00 57.03 56.71 2i2r h ASP 115 Cb 0.55 -0.04 -0.13 0.00 0.22 0.00 0.00 39.33 39.93 2i2r h ASP 115 CO 0.00 0.56 -0.33 0.44 -1.72 0.00 0.00 179.24 178.19 2i2r h ASP 116 N -0.31 -1.19 -0.36 6.45 3.45 -1.60 0.16 116.42 123.04 2i2r h ASP 116 Ca 0.01 0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.71 2i2r h ASP 116 Cb 0.52 0.62 -0.02 0.00 -0.56 0.00 0.00 39.33 39.90 2i2r h ASP 116 CO 0.01 -0.29 0.19 -0.33 -1.57 0.00 0.00 179.24 177.24 2i2r h GLU 117 N -0.09 0.50 -0.71 3.56 4.39 -1.63 -2.32 114.58 118.28 2i2r h GLU 117 Ca 0.29 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.95 2i2r h GLU 117 Cb 0.57 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 2i2r h GLU 117 CO -0.79 0.43 0.47 -0.07 -1.16 0.00 0.00 179.01 177.89 2i2r h LEU 118 N 0.44 0.76 -0.76 1.33 3.38 -0.16 -0.93 115.31 119.37 2i2r h LEU 118 Ca 0.12 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2i2r h LEU 118 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2i2r h LEU 118 CO -0.02 0.53 0.07 0.00 0.09 0.00 0.00 178.44 179.11 2i2r h ALA 119 N 1.58 0.97 0.65 1.53 0.00 -0.51 -1.97 119.26 121.51 2i2r h ALA 119 Ca 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2i2r h ALA 119 Cb 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2i2r h ALA 119 CO -0.08 0.64 -0.31 0.35 0.00 0.00 0.00 179.25 179.85 2i2r h PHE 120 N 0.95 -0.81 0.00 0.00 3.57 -0.64 -3.17 116.94 116.83 2i2r h PHE 120 Ca 0.19 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2i2r h PHE 120 Cb 0.45 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2i2r h PHE 120 CO 0.03 -0.49 0.00 0.66 -2.23 0.00 0.00 178.31 176.28 2i2r n TYR 121 N -5.45 0.00 -1.16 0.41 4.01 -0.89 -4.82 117.16 109.26 2i2r n TYR 121 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2i2r n TYR 121 Cb 0.36 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2i2r n TYR 121 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i2r n GLY 122 N 0.35 0.47 3.72 2.72 0.00 -1.00 -1.76 105.19 109.68 2i2r n GLY 122 Ca 0.15 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 2i2r n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i2r s ILE 123 N -2.00 5.40 0.04 -0.61 1.09 -0.77 -4.72 121.20 119.62 2i2r s ILE 123 Ca 0.00 0.19 -0.30 0.00 -1.10 0.00 0.00 60.65 59.43 2i2r s ILE 123 Cb 0.00 -3.47 -0.05 0.00 -1.06 0.00 0.00 42.46 37.88 2i2r s ILE 123 CO 0.00 0.43 1.15 -0.76 -0.10 0.00 0.00 174.94 175.66 2i2r s LEU 124 N 0.44 4.36 0.05 2.97 2.01 -1.26 -4.31 118.68 122.93 2i2r s LEU 124 Ca 0.08 1.92 -0.09 0.00 0.01 0.00 0.00 54.13 56.05 2i2r s LEU 124 Cb -0.11 -3.57 -0.02 0.00 0.01 0.00 0.00 46.19 42.49 2i2r s LEU 124 CO -0.01 -0.44 0.47 -2.65 1.01 0.00 0.00 176.35 174.72 2i2r n PRO 125 N 4.06 -0.13 -2.88 1.29 -0.01 -1.26 -1.98 135.00 134.09 2i2r n PRO 125 Ca 0.09 0.46 -0.31 0.00 -0.01 0.00 0.00 63.50 63.72 2i2r n PRO 125 Cb 0.47 -0.67 -0.02 0.00 -0.01 0.00 0.00 33.50 33.27 2i2r n PRO 125 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 2i2r n GLU 126 N -4.23 3.85 -0.12 -0.52 0.28 -1.26 -4.22 120.64 114.42 2i2r n GLU 126 Ca 0.01 -4.80 0.08 0.00 -0.16 0.00 0.00 57.16 52.28 2i2r n GLU 126 Cb 0.07 -2.31 0.26 0.00 1.43 0.00 0.00 31.44 30.89 2i2r n GLU 126 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2i2r n ILE 127 N -0.11 0.33 -1.85 3.84 5.41 -0.84 -4.97 119.36 121.16 2i2r n ILE 127 Ca 0.35 -0.39 -0.42 0.00 1.00 0.00 0.00 62.75 63.30 2i2r n ILE 127 Cb 0.35 0.27 -0.02 0.00 -0.71 0.00 0.00 39.64 39.53 2i2r n ILE 127 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2i2r s ILE 128 N -1.67 2.30 1.18 1.39 1.01 -1.26 -4.37 121.20 119.77 2i2r s ILE 128 Ca 0.27 0.24 -0.13 0.00 0.00 0.00 0.00 60.65 61.03 2i2r s ILE 128 Cb 0.14 -3.15 0.29 0.00 0.01 0.00 0.00 42.46 39.75 2i2r s ILE 128 CO 0.20 0.03 1.02 -0.83 0.00 0.00 0.00 174.94 175.37 2i2r s GLY 129 N 0.68 1.54 0.49 6.18 0.00 -1.18 -4.61 107.32 110.43 2i2r s GLY 129 Ca 0.65 -0.17 0.19 0.00 0.00 0.00 0.00 44.72 45.39 2i2r s GLY 129 CO 0.41 0.56 2.07 -0.55 0.00 0.00 0.00 173.10 175.60 2i2r h ASP 130 N -2.66 0.00 -0.53 1.64 5.19 -1.94 -1.67 116.42 116.45 2i2r h ASP 130 Ca -0.62 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.76 2i2r h ASP 130 Cb 1.34 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.82 2i2r h ASP 130 CO 0.51 0.11 0.24 0.00 -3.12 0.00 0.00 179.24 176.99 2i2r n TYR 133 N -2.12 0.00 0.07 0.00 -0.00 -0.66 0.06 117.16 114.51 2i2r n TYR 133 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.69 2i2r n TYR 133 Cb 0.58 -0.50 -0.08 0.00 -0.00 0.00 0.00 39.34 39.34 2i2r n TYR 133 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 2i2r h GLU 134 N 0.00 -0.21 0.00 -3.48 4.39 -1.77 -3.05 114.58 110.46 2i2r h GLU 134 Ca 0.00 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 2i2r h GLU 134 Cb 0.12 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2i2r h GLU 134 CO 0.00 0.20 -0.48 0.93 -1.16 0.00 0.00 179.01 178.50 2i2r h GLU 135 N -0.70 0.00 -0.14 2.33 4.39 -1.17 -2.73 114.58 116.56 2i2r h GLU 135 Ca -0.02 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2i2r h GLU 135 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2i2r h GLU 135 CO 0.04 0.48 -0.23 -0.92 -1.16 0.00 0.00 179.01 177.22 2i2r h TYR 136 N 0.00 0.26 0.31 4.33 5.03 -0.50 -3.05 116.97 123.35 2i2r h TYR 136 Ca -0.00 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 2i2r h TYR 136 Cb 1.26 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.48 2i2r h TYR 136 CO 0.00 0.46 -0.15 0.87 -1.32 0.00 0.00 178.16 178.02 2i2r h LYS 137 N 0.22 -0.40 0.00 1.82 1.79 -1.41 -3.20 116.57 115.40 2i2r h LYS 137 Ca 0.04 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2i2r h LYS 137 Cb 0.53 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2i2r h LYS 137 CO 0.04 -0.26 0.00 -0.25 -1.08 0.00 0.00 179.45 177.89 2i2r n ASP 138 N -3.70 0.00 -2.17 0.86 9.92 -1.04 -1.45 116.55 118.96 2i2r n ASP 138 Ca -0.05 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2i2r n ASP 138 Cb 0.16 -0.29 0.05 0.00 -0.64 0.00 0.00 41.12 40.40 2i2r n ASP 138 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2i2r n ARG 139 N -1.29 1.22 0.00 -1.24 1.85 -1.16 -5.10 116.66 110.95 2i2r n ARG 139 Ca 0.00 -2.99 0.00 0.00 -1.00 0.00 0.00 57.85 53.86 2i2r n ARG 139 Cb 0.01 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 2i2r n ARG 139 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25