#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3r s VAL 10 N 0.00 4.44 0.19 2.46 1.01 -1.26 -4.97 120.40 122.28 2q3r s VAL 10 Ca 0.00 1.71 -0.23 0.00 0.00 0.00 0.00 61.98 63.47 2q3r s VAL 10 Cb 0.00 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 32.27 2q3r s VAL 10 CO 0.00 -0.28 1.56 -0.65 0.00 0.00 0.00 175.10 175.73 2q3r h PRO 11 N 8.09 -0.10 0.00 2.72 0.11 -1.97 0.14 132.00 141.00 2q3r h PRO 11 Ca -0.23 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2q3r h PRO 11 Cb 1.08 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2q3r h PRO 11 CO 1.00 -0.06 0.00 -0.07 -0.21 0.00 0.00 178.00 178.65 2q3r h LEU 12 N -0.10 0.00 -3.68 2.35 3.38 -1.85 -2.31 115.31 113.10 2q3r h LEU 12 Ca 0.25 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.86 2q3r h LEU 12 Cb 0.55 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.09 2q3r h LEU 12 CO -0.84 0.00 0.29 0.18 0.09 0.00 0.00 178.44 178.16 2q3r n LEU 13 N -3.01 5.47 -4.60 1.67 7.99 0.48 -0.72 117.00 124.28 2q3r n LEU 13 Ca -0.02 -3.71 -0.34 0.00 -0.01 0.00 0.00 56.01 51.93 2q3r n LEU 13 Cb 0.14 -0.74 -0.11 0.00 -0.11 0.00 0.00 43.42 42.60 2q3r n LEU 13 CO 0.21 1.17 -0.35 0.42 -1.51 0.00 0.00 177.39 177.34 2q3r s THR 14 N -3.30 3.98 0.82 -5.08 -4.23 -0.87 -4.76 115.64 102.20 2q3r s THR 14 Ca 0.51 -0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 2q3r s THR 14 Cb 0.45 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 2q3r s THR 14 CO 0.05 0.58 0.49 -2.65 -0.54 0.00 0.00 174.62 172.55 2q3r n PRO 15 N 2.48 0.07 -3.65 3.99 -0.02 -1.00 -3.93 135.00 132.93 2q3r n PRO 15 Ca -0.18 0.07 -0.15 0.00 -2.02 0.00 0.00 63.50 61.22 2q3r n PRO 15 Cb 0.53 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.08 2q3r n PRO 15 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2q3r s TYR 16 N -2.11 -0.48 -0.25 6.00 5.04 -0.34 -4.88 117.35 120.33 2q3r s TYR 16 Ca 0.62 0.93 -0.08 0.00 -2.44 0.00 0.00 57.07 56.10 2q3r s TYR 16 Cb -0.29 0.24 -0.03 0.00 0.35 0.00 0.00 41.96 42.23 2q3r s TYR 16 CO 0.62 -0.44 0.08 0.21 -1.34 0.00 0.00 175.55 174.68 2q3r s LYS 17 N -0.81 3.66 -0.54 4.97 2.47 -1.26 -1.34 119.74 126.90 2q3r s LYS 17 Ca -0.09 -0.48 -0.08 0.00 -1.56 0.00 0.00 55.97 53.76 2q3r s LYS 17 Cb -0.03 -3.35 0.14 0.00 -1.46 0.00 0.00 37.83 33.12 2q3r s LYS 17 CO 0.05 -0.20 0.40 1.41 0.16 0.00 0.00 175.35 177.17 2q3r s MET 18 N 1.62 2.58 5.08 4.03 -2.45 -0.46 -4.95 119.30 124.75 2q3r s MET 18 Ca 0.06 -2.00 0.00 0.00 -1.25 0.00 0.00 55.69 52.51 2q3r s MET 18 Cb -0.15 -3.92 0.00 0.00 1.25 0.00 0.00 34.83 32.01 2q3r s MET 18 CO 0.04 -1.19 0.00 0.41 1.05 0.00 0.00 175.02 175.33 2q3r n GLY 19 N 4.51 0.92 0.55 2.11 0.00 -1.26 -0.31 105.19 111.70 2q3r n GLY 19 Ca -0.02 0.51 0.07 0.00 0.00 0.00 0.00 46.02 46.58 2q3r n GLY 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2q3r n ARG 20 N 0.00 1.10 -3.59 1.61 3.00 -1.26 -4.98 116.66 112.54 2q3r n ARG 20 Ca 0.00 -1.29 -0.37 0.00 -0.00 0.00 0.00 57.85 56.19 2q3r n ARG 20 Cb 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 32.46 31.13 2q3r n ARG 20 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2q3r s PHE 21 N -1.26 3.60 -0.52 -0.14 0.40 0.58 -5.07 117.98 115.57 2q3r s PHE 21 Ca 0.16 0.75 -0.17 0.00 -0.60 0.00 0.00 56.93 57.07 2q3r s PHE 21 Cb 0.12 -2.24 0.09 0.00 0.51 0.00 0.00 43.02 41.50 2q3r s PHE 21 CO 0.20 0.50 0.53 -0.80 0.70 0.00 0.00 175.22 176.36 2q3r s ASN 22 N -0.46 6.18 -0.03 1.36 0.01 -1.26 -1.35 114.94 119.39 2q3r s ASN 22 Ca 0.19 -1.37 -0.13 0.00 -0.71 0.00 0.00 52.86 50.84 2q3r s ASN 22 Cb -0.14 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 2q3r s ASN 22 CO 0.08 -0.84 0.36 -0.76 -1.51 0.00 0.00 177.10 174.42 2q3r s LEU 23 N 2.06 4.45 0.33 0.60 1.43 -0.45 -4.74 118.68 122.36 2q3r s LEU 23 Ca 0.08 0.86 0.19 0.00 -1.03 0.00 0.00 54.13 54.22 2q3r s LEU 23 Cb -0.24 -2.49 0.17 0.00 0.03 0.00 0.00 46.19 43.65 2q3r s LEU 23 CO 0.07 0.32 1.46 0.28 0.23 0.00 0.00 176.35 178.71 2q3r h SER 24 N 4.88 0.00 -5.08 2.29 0.02 -1.13 -0.90 113.55 113.63 2q3r h SER 24 Ca -0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2q3r h SER 24 Cb 1.22 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 2q3r h SER 24 CO 0.62 0.26 0.15 -1.38 -1.14 0.00 0.00 176.83 175.34 2q3r s HIS 25 N -3.09 0.06 -1.54 3.45 0.00 -1.26 -2.38 115.29 110.54 2q3r s HIS 25 Ca 0.05 -0.54 0.19 0.00 -3.00 0.00 0.00 55.06 51.75 2q3r s HIS 25 Cb 0.07 0.59 0.58 0.00 -4.00 0.00 0.00 32.58 29.81 2q3r s HIS 25 CO 0.72 -1.26 1.48 0.54 -1.00 0.00 0.00 174.74 175.22 2q3r n ARG 26 N -0.47 2.93 -2.81 -0.38 1.74 0.10 -4.76 116.66 113.01 2q3r n ARG 26 Ca -0.04 -2.56 -0.43 0.00 -0.77 0.00 0.00 57.85 54.05 2q3r n ARG 26 Cb 0.60 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 2q3r n ARG 26 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2q3r s VAL 27 N -1.18 4.35 -0.13 1.55 1.01 -1.24 -2.52 120.40 122.24 2q3r s VAL 27 Ca 0.43 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 2q3r s VAL 27 Cb 0.24 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2q3r s VAL 27 CO 0.27 -1.14 0.11 -0.69 0.00 0.00 0.00 175.10 173.65 2q3r s VAL 28 N 4.04 5.22 -0.28 2.92 1.01 -0.94 -4.51 120.40 127.87 2q3r s VAL 28 Ca 0.31 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 2q3r s VAL 28 Cb -0.12 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 2q3r s VAL 28 CO 0.20 0.58 1.27 -0.22 0.00 0.00 0.00 175.10 176.93 2q3r s LEU 29 N -0.67 3.94 0.46 3.92 2.96 -0.94 -1.75 118.68 126.60 2q3r s LEU 29 Ca 0.13 1.29 -0.23 0.00 -0.22 0.00 0.00 54.13 55.09 2q3r s LEU 29 Cb -0.12 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 2q3r s LEU 29 CO 0.02 -1.00 1.13 0.00 -1.32 0.00 0.00 176.35 175.18 2q3r s ALA 30 N 4.14 2.97 0.16 5.97 0.00 -0.83 -1.93 121.76 132.24 2q3r s ALA 30 Ca 0.55 0.85 -0.32 0.00 0.00 0.00 0.00 51.96 53.04 2q3r s ALA 30 Cb -0.17 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 2q3r s ALA 30 CO 0.21 -0.55 1.77 -0.35 0.00 0.00 0.00 175.76 176.84 2q3r n PRO 31 N -0.50 2.72 -3.75 0.00 -0.04 -1.25 -4.80 135.00 127.38 2q3r n PRO 31 Ca 0.07 0.98 -0.29 0.00 -0.04 0.00 0.00 63.50 64.22 2q3r n PRO 31 Cb 0.49 -2.85 -0.15 0.00 -0.04 0.00 0.00 33.50 30.95 2q3r n PRO 31 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q3r s LEU 32 N 1.94 2.00 0.02 1.53 1.43 -1.26 -4.87 118.68 119.48 2q3r s LEU 32 Ca 0.79 -1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 2q3r s LEU 32 Cb -0.51 -0.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.80 2q3r s LEU 32 CO 0.35 -0.37 1.95 -0.89 0.23 0.00 0.00 176.35 177.62 2q3r s THR 33 N 1.66 3.07 -0.23 5.49 2.01 -1.26 -4.29 115.64 122.09 2q3r s THR 33 Ca 0.06 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.17 2q3r s THR 33 Cb -0.17 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 69.27 2q3r s THR 33 CO -0.20 -0.01 0.33 0.54 -0.69 0.00 0.00 174.62 174.60 2q3r n ARG 34 N 7.54 3.02 -3.55 4.92 5.12 -1.26 -4.80 116.66 127.64 2q3r n ARG 34 Ca 0.20 -0.31 -0.24 0.00 -1.93 0.00 0.00 57.85 55.56 2q3r n ARG 34 Cb 0.41 -0.82 0.05 0.00 -1.16 0.00 0.00 32.46 30.94 2q3r n ARG 34 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2q3r n GLN 35 N -0.49 -2.26 -1.07 5.56 6.02 -1.26 -4.55 117.38 119.34 2q3r n GLN 35 Ca 0.01 0.62 0.02 0.00 -0.01 0.00 0.00 57.00 57.64 2q3r n GLN 35 Cb 0.06 -4.87 0.01 0.00 1.02 0.00 0.00 30.24 26.46 2q3r n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2q3r n ARG 36 N -3.90 0.00 -2.79 -1.09 1.74 -0.40 -4.53 116.66 105.69 2q3r n ARG 36 Ca -0.13 -1.56 -0.32 0.00 -0.77 0.00 0.00 57.85 55.07 2q3r n ARG 36 Cb 0.62 -0.21 -0.01 0.00 -1.02 0.00 0.00 32.46 31.83 2q3r n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2q3r n SER 37 N 0.28 5.64 -1.44 0.55 7.64 0.50 -4.56 113.62 122.24 2q3r n SER 37 Ca 0.03 -3.69 -0.19 0.00 1.01 0.00 0.00 58.87 56.02 2q3r n SER 37 Cb 0.95 -0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 2q3r n SER 37 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2q3r n TYR 38 N -0.20 0.32 -3.54 1.43 0.53 -1.25 -0.03 117.16 114.43 2q3r n TYR 38 Ca 0.38 0.34 -0.26 0.00 -1.02 0.00 0.00 57.90 57.34 2q3r n TYR 38 Cb 0.35 -0.67 0.01 0.00 -1.03 0.00 0.00 39.34 38.00 2q3r n TYR 38 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2q3r n GLY 39 N 0.75 -0.49 3.54 2.72 0.00 -1.26 -1.33 105.19 109.11 2q3r n GLY 39 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2q3r n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q3r n ASN 40 N -2.52 -0.33 -4.68 1.61 4.13 0.95 -4.98 115.26 109.44 2q3r n ASN 40 Ca -0.00 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.86 2q3r n ASN 40 Cb 0.54 -1.58 -0.06 0.00 -1.54 0.00 0.00 39.78 37.14 2q3r n ASN 40 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2q3r s VAL 41 N -2.12 5.10 0.45 2.41 1.01 -0.44 -0.25 120.40 126.56 2q3r s VAL 41 Ca 0.00 1.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.78 2q3r s VAL 41 Cb 0.00 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 2q3r s VAL 41 CO 0.00 0.20 1.39 -2.65 0.00 0.00 0.00 175.10 174.04 2q3r n PRO 42 N 4.54 2.14 -4.32 2.72 -0.02 -1.26 -3.78 135.00 135.02 2q3r n PRO 42 Ca -0.04 0.76 -0.23 0.00 -2.02 0.00 0.00 63.50 61.97 2q3r n PRO 42 Cb 0.51 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 2q3r n PRO 42 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2q3r s GLN 43 N -2.42 2.18 0.21 -0.52 -1.52 -1.26 -4.80 119.66 111.53 2q3r s GLN 43 Ca 0.62 -1.47 -0.10 0.00 -1.95 0.00 0.00 55.36 52.46 2q3r s GLN 43 Cb -0.46 -2.10 0.15 0.00 -0.22 0.00 0.00 33.01 30.38 2q3r s GLN 43 CO 0.57 0.36 1.87 -1.35 -0.25 0.00 0.00 175.29 176.49 2q3r h PRO 44 N 2.01 0.99 -0.18 2.91 0.11 -1.95 -2.58 132.00 133.31 2q3r h PRO 44 Ca -0.44 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 65.65 2q3r h PRO 44 Cb 1.25 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2q3r h PRO 44 CO 0.60 0.68 0.20 1.12 -0.21 0.00 0.00 178.00 180.38 2q3r h HIS 45 N 1.01 0.00 -0.05 0.65 2.07 -1.96 0.97 115.15 117.84 2q3r h HIS 45 Ca 0.27 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.81 2q3r h HIS 45 Cb -0.08 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.89 2q3r h HIS 45 CO -0.02 0.00 0.05 0.00 -3.07 0.00 0.00 177.93 174.89 2q3r h ALA 46 N 1.78 1.71 -0.52 6.11 0.00 -1.83 0.38 119.26 126.89 2q3r h ALA 46 Ca 0.09 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2q3r h ALA 46 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2q3r h ALA 46 CO -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.06 2q3r h ALA 47 N 1.95 0.71 -0.25 0.00 0.00 -0.95 -1.87 119.26 118.85 2q3r h ALA 47 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2q3r h ALA 47 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2q3r h ALA 47 CO -0.00 0.63 0.10 0.82 0.00 0.00 0.00 179.25 180.80 2q3r h ILE 48 N 0.86 1.17 0.22 0.00 1.08 -1.06 -1.56 117.51 118.22 2q3r h ILE 48 Ca 0.13 -0.52 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 2q3r h ILE 48 Cb 0.68 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 2q3r h ILE 48 CO 0.05 0.17 -0.41 0.22 -0.69 0.00 0.00 178.15 177.50 2q3r h TYR 49 N 0.25 -1.13 0.05 1.37 3.20 -1.07 -1.76 116.97 117.88 2q3r h TYR 49 Ca 0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2q3r h TYR 49 Cb 0.18 0.47 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2q3r h TYR 49 CO -0.01 -0.53 -0.03 1.88 -1.64 0.00 0.00 178.16 177.84 2q3r h TYR 50 N -0.71 -0.07 -0.98 -3.82 0.05 -1.40 -3.21 116.97 106.84 2q3r h TYR 50 Ca 0.00 -0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.09 2q3r h TYR 50 Cb 0.69 0.02 -0.15 0.00 1.01 0.00 0.00 36.73 38.30 2q3r h TYR 50 CO -0.31 0.41 0.47 1.03 -1.05 0.00 0.00 178.16 178.72 2q3r h SER 51 N -0.58 0.34 -0.34 3.88 0.87 -1.28 1.45 113.55 117.89 2q3r h SER 51 Ca -0.01 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2q3r h SER 51 Cb 0.51 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2q3r h SER 51 CO 0.01 -0.18 0.17 1.56 -0.53 0.00 0.00 176.83 177.85 2q3r h GLN 52 N 0.25 0.54 -0.50 2.24 4.20 -1.32 -2.40 115.11 118.13 2q3r h GLN 52 Ca 0.71 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.35 2q3r h GLN 52 Cb 1.61 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.28 2q3r h GLN 52 CO -0.65 0.44 0.00 0.54 -0.67 0.00 0.00 178.83 178.49 2q3r n ARG 53 N -4.40 2.16 -3.63 1.46 1.74 0.49 -4.53 116.66 109.95 2q3r n ARG 53 Ca 0.03 -1.78 -0.34 0.00 -0.77 0.00 0.00 57.85 54.99 2q3r n ARG 53 Cb 0.13 -1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 2q3r n ARG 53 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2q3r s THR 54 N -1.35 5.14 0.04 0.55 2.01 -0.74 -4.98 115.64 116.32 2q3r s THR 54 Ca 0.33 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.62 2q3r s THR 54 Cb 0.17 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2q3r s THR 54 CO 0.22 0.21 -0.05 0.42 -0.69 0.00 0.00 174.62 174.73 2q3r s THR 55 N -1.48 0.34 -0.03 -0.82 -4.23 -1.26 -4.98 115.64 103.18 2q3r s THR 55 Ca 0.35 -1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 59.29 2q3r s THR 55 Cb -0.13 -0.81 -0.08 0.00 1.34 0.00 0.00 72.50 72.82 2q3r s THR 55 CO 0.20 -0.62 2.02 -2.84 -0.54 0.00 0.00 174.62 172.85 2q3r s PRO 56 N -2.31 3.90 0.00 3.99 0.02 -1.25 -0.45 135.00 138.90 2q3r s PRO 56 Ca -0.06 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2q3r s PRO 56 Cb -0.04 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.27 2q3r s PRO 56 CO -0.03 -1.23 0.00 0.41 -0.33 0.00 0.00 177.00 175.82 2q3r n GLY 57 N 4.83 0.53 3.86 0.52 0.00 0.23 -4.53 105.19 110.62 2q3r n GLY 57 Ca 0.22 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2q3r n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2q3r s GLY 58 N -2.35 2.36 -0.20 -0.02 0.00 0.41 -0.67 107.32 106.83 2q3r s GLY 58 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 44.72 44.52 2q3r s GLY 58 CO 0.00 0.07 0.05 -0.12 0.00 0.00 0.00 173.10 173.10 2q3r s PHE 59 N -1.76 3.15 -0.02 1.90 5.99 -1.26 -0.49 117.98 125.49 2q3r s PHE 59 Ca 0.47 -0.16 0.04 0.00 0.00 0.00 0.00 56.93 57.27 2q3r s PHE 59 Cb -0.12 -2.12 -0.01 0.00 0.00 0.00 0.00 43.02 40.77 2q3r s PHE 59 CO 0.20 -0.07 -0.14 -0.51 -0.00 0.00 0.00 175.22 174.70 2q3r s LEU 60 N 0.86 1.95 -0.09 6.12 1.02 -0.62 -2.22 118.68 125.70 2q3r s LEU 60 Ca 0.03 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 53.92 2q3r s LEU 60 Cb -0.14 -0.76 -0.02 0.00 0.02 0.00 0.00 46.19 45.29 2q3r s LEU 60 CO 0.02 0.15 -0.10 -0.63 0.02 0.00 0.00 176.35 175.81 2q3r s ILE 61 N -0.15 3.39 0.87 -0.59 1.01 -0.81 -1.77 121.20 123.16 2q3r s ILE 61 Ca 0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 2q3r s ILE 61 Cb -0.08 -2.39 0.11 0.00 0.01 0.00 0.00 42.46 40.12 2q3r s ILE 61 CO 0.00 0.57 1.13 0.42 0.00 0.00 0.00 174.94 177.06 2q3r s THR 62 N -0.38 2.29 0.93 2.92 -4.23 -0.34 -3.96 115.64 112.88 2q3r s THR 62 Ca 0.05 0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 2q3r s THR 62 Cb -0.12 -2.86 0.16 0.00 1.34 0.00 0.00 72.50 71.01 2q3r s THR 62 CO 0.02 -0.12 1.14 -1.83 -0.54 0.00 0.00 174.62 173.29 2q3r s GLU 63 N -5.27 0.85 0.33 3.99 -1.05 -1.26 -4.15 118.70 112.15 2q3r s GLU 63 Ca 0.63 1.50 -0.29 0.00 -0.15 0.00 0.00 54.97 56.66 2q3r s GLU 63 Cb -0.14 -1.71 -0.12 0.00 -0.44 0.00 0.00 34.13 31.71 2q3r s GLU 63 CO 0.53 -2.73 1.38 0.00 0.95 0.00 0.00 175.26 175.40 2q3r n ALA 64 N -4.30 1.68 -3.38 -0.84 0.00 -1.26 -4.36 120.51 108.05 2q3r n ALA 64 Ca 0.11 0.36 -0.29 0.00 0.00 0.00 0.00 53.44 53.63 2q3r n ALA 64 Cb 0.52 -2.32 -0.17 0.00 0.00 0.00 0.00 19.45 17.48 2q3r n ALA 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2q3r s THR 65 N -0.88 1.62 0.42 0.00 2.01 0.36 -4.30 115.64 114.86 2q3r s THR 65 Ca 0.57 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 61.56 2q3r s THR 65 Cb -0.55 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.45 2q3r s THR 65 CO 0.60 0.46 1.35 -0.83 -0.69 0.00 0.00 174.62 175.52 2q3r s GLY 66 N 0.55 2.92 0.01 4.40 0.00 0.68 -1.37 107.32 114.52 2q3r s GLY 66 Ca -0.16 1.33 0.23 0.00 0.00 0.00 0.00 44.72 46.12 2q3r s GLY 66 CO 0.05 1.93 1.07 3.33 0.00 0.00 0.00 173.10 179.48 2q3r n VAL 67 N 0.04 0.05 -3.83 1.40 0.24 -1.09 -2.54 118.33 112.59 2q3r n VAL 67 Ca 0.04 -0.09 -0.05 0.00 -2.04 0.00 0.00 64.34 62.20 2q3r n VAL 67 Cb 0.43 0.52 0.01 0.00 -1.47 0.00 0.00 33.84 33.33 2q3r n VAL 67 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2q3r s SER 68 N -3.32 -0.05 0.00 -1.34 1.04 -1.26 -4.38 113.70 104.38 2q3r s SER 68 Ca 0.07 -0.74 0.12 0.00 0.48 0.00 0.00 55.95 55.88 2q3r s SER 68 Cb 0.16 0.61 0.56 0.00 0.10 0.00 0.00 66.02 67.45 2q3r s SER 68 CO 0.80 -1.19 1.36 -0.90 0.98 0.00 0.00 173.24 174.29 2q3r n ASP 69 N -1.05 0.00 -0.15 7.02 5.75 -1.26 -2.59 116.55 124.27 2q3r n ASP 69 Ca -0.05 0.35 0.02 0.00 -0.01 0.00 0.00 54.79 55.10 2q3r n ASP 69 Cb 0.60 -0.42 0.03 0.00 -1.03 0.00 0.00 41.12 40.29 2q3r n ASP 69 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2q3r n THR 70 N -1.42 0.45 1.71 2.12 -2.24 -1.26 -4.53 114.28 109.11 2q3r n THR 70 Ca 0.04 -0.72 0.08 0.00 -2.27 0.00 0.00 64.05 61.18 2q3r n THR 70 Cb 0.13 0.81 0.41 0.00 -2.10 0.00 0.00 70.33 69.58 2q3r n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q3r n ALA 71 N -0.00 2.56 -2.83 6.98 0.00 -1.07 -4.67 120.51 121.48 2q3r n ALA 71 Ca 0.02 -0.25 -0.36 0.00 0.00 0.00 0.00 53.44 52.86 2q3r n ALA 71 Cb 0.18 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 2q3r n ALA 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2q3r s GLN 72 N -1.91 3.31 0.00 0.00 1.11 -1.26 -0.56 119.66 120.35 2q3r s GLN 72 Ca 0.25 -0.22 0.00 0.00 0.01 0.00 0.00 55.36 55.41 2q3r s GLN 72 Cb 0.12 -3.07 0.00 0.00 -1.01 0.00 0.00 33.01 29.05 2q3r s GLN 72 CO 0.20 0.75 0.33 0.41 0.01 0.00 0.00 175.29 176.99 2q3r n GLY 73 N 1.96 -0.35 3.31 3.09 0.00 -1.26 -4.74 105.19 107.20 2q3r n GLY 73 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 2q3r n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q3r s TYR 74 N -0.11 1.49 -0.13 1.61 2.02 -1.26 -4.52 117.35 116.45 2q3r s TYR 74 Ca 0.00 -0.97 -0.22 0.00 -0.37 0.00 0.00 57.07 55.51 2q3r s TYR 74 Cb 0.00 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 2q3r s TYR 74 CO 0.00 -0.10 0.67 -0.65 -1.57 0.00 0.00 175.55 173.90 2q3r s GLN 75 N -3.89 4.33 -0.95 -0.62 -0.21 -1.26 -4.32 119.66 112.74 2q3r s GLN 75 Ca 0.28 0.76 -0.03 0.00 0.02 0.00 0.00 55.36 56.39 2q3r s GLN 75 Cb 0.06 -3.51 0.00 0.00 1.00 0.00 0.00 33.01 30.56 2q3r s GLN 75 CO 0.08 -0.08 0.81 -0.25 -2.12 0.00 0.00 175.29 173.72 2q3r n ASP 76 N 4.41 -3.43 -4.89 5.90 8.00 -1.26 -4.66 116.55 120.61 2q3r n ASP 76 Ca -0.01 -0.44 -0.35 0.00 0.71 0.00 0.00 54.79 54.70 2q3r n ASP 76 Cb 0.50 -3.94 -0.05 0.00 -0.02 0.00 0.00 41.12 37.62 2q3r n ASP 76 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2q3r s THR 77 N -3.26 5.46 0.49 -3.53 -4.23 -1.26 -0.37 115.64 108.95 2q3r s THR 77 Ca 0.19 -0.01 -0.22 0.00 -1.18 0.00 0.00 61.69 60.47 2q3r s THR 77 Cb -0.08 -3.49 -0.07 0.00 1.34 0.00 0.00 72.50 70.20 2q3r s THR 77 CO 0.55 0.44 1.17 -2.16 -0.54 0.00 0.00 174.62 174.07 2q3r s PRO 78 N -1.59 3.58 0.44 3.99 0.04 -1.26 -3.81 135.00 136.38 2q3r s PRO 78 Ca 0.23 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.09 2q3r s PRO 78 Cb -0.12 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2q3r s PRO 78 CO 0.13 -0.70 0.16 0.20 0.04 0.00 0.00 177.00 176.83 2q3r s GLY 79 N -1.46 2.44 -0.32 0.56 0.00 0.65 -0.23 107.32 108.97 2q3r s GLY 79 Ca 0.67 -1.86 0.16 0.00 0.00 0.00 0.00 44.72 43.69 2q3r s GLY 79 CO 0.33 -1.98 1.40 4.51 0.00 0.00 0.00 173.10 177.37 2q3r n ILE 80 N -1.26 0.37 0.60 0.90 3.06 -1.05 -4.69 119.36 117.29 2q3r n ILE 80 Ca -0.04 -1.61 0.06 0.00 -2.50 0.00 0.00 62.75 58.67 2q3r n ILE 80 Cb 0.65 1.07 -0.03 0.00 0.54 0.00 0.00 39.64 41.88 2q3r n ILE 80 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 2q3r n TRP 81 N -1.20 0.00 -4.21 9.51 2.14 -1.26 -4.00 117.44 118.43 2q3r n TRP 81 Ca -0.10 0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.23 2q3r n TRP 81 Cb 0.85 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.28 2q3r n TRP 81 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 2q3r s THR 82 N -1.88 2.36 0.12 -1.67 -4.23 -1.26 -4.89 115.64 104.19 2q3r s THR 82 Ca 0.09 -1.77 -0.15 0.00 -1.18 0.00 0.00 61.69 58.68 2q3r s THR 82 Cb 0.10 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2q3r s THR 82 CO 0.41 -0.04 1.55 0.50 -0.54 0.00 0.00 174.62 176.50 2q3r h LYS 83 N 1.53 0.71 -0.48 3.99 1.63 -2.00 -2.49 116.57 119.46 2q3r h LYS 83 Ca -0.43 -0.25 0.07 0.00 -0.85 0.00 0.00 60.65 59.19 2q3r h LYS 83 Cb 1.25 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.80 2q3r h LYS 83 CO 0.70 0.83 0.32 1.49 -3.45 0.00 0.00 179.45 179.34 2q3r h GLU 84 N 0.52 0.36 0.18 1.90 4.81 -1.99 -1.61 114.58 118.75 2q3r h GLU 84 Ca 0.10 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2q3r h GLU 84 Cb 0.53 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2q3r h GLU 84 CO 0.03 0.24 -0.08 0.45 -0.73 0.00 0.00 179.01 178.91 2q3r h HIS 85 N 0.37 -0.22 -0.18 0.92 3.86 -1.79 -1.61 115.15 116.50 2q3r h HIS 85 Ca 0.21 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 2q3r h HIS 85 Cb 0.37 0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 2q3r h HIS 85 CO -0.00 0.13 -0.36 0.28 0.86 0.00 0.00 177.93 178.85 2q3r h VAL 86 N -0.61 0.00 -0.48 2.45 2.07 -0.95 0.14 116.25 118.87 2q3r h VAL 86 Ca -0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.64 2q3r h VAL 86 Cb 0.45 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2q3r h VAL 86 CO 0.04 0.00 0.40 -0.33 0.02 0.00 0.00 177.57 177.69 2q3r h GLU 87 N -0.32 0.00 0.00 1.57 4.39 -1.37 0.10 114.58 118.95 2q3r h GLU 87 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2q3r h GLU 87 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2q3r h GLU 87 CO -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.51 2q3r h ALA 88 N 1.66 1.00 0.07 3.43 0.00 0.25 -3.29 119.26 122.37 2q3r h ALA 88 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.79 2q3r h ALA 88 Cb 1.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2q3r h ALA 88 CO -0.00 0.00 -2.00 0.91 0.00 0.00 0.00 179.25 178.16 2q3r n TRP 89 N -2.59 0.97 0.18 0.00 7.02 0.32 -4.12 117.44 119.22 2q3r n TRP 89 Ca 0.04 0.24 0.03 0.00 -1.02 0.00 0.00 57.50 56.80 2q3r n TRP 89 Cb 0.43 -1.14 0.15 0.00 -2.42 0.00 0.00 31.31 28.33 2q3r n TRP 89 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2q3r h LYS 90 N 0.04 0.00 0.00 -0.99 1.57 -1.52 0.35 116.57 116.02 2q3r h LYS 90 Ca -0.41 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.13 2q3r h LYS 90 Cb 2.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.30 2q3r h LYS 90 CO 0.06 0.00 -1.74 -0.35 -0.57 0.00 0.00 179.45 176.85 2q3r n PRO 91 N -1.93 0.64 0.06 3.15 -0.04 -1.26 -3.04 135.00 132.58 2q3r n PRO 91 Ca -0.00 0.17 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 2q3r n PRO 91 Cb 0.61 -1.72 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 2q3r n PRO 91 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2q3r h ILE 92 N 0.00 1.38 -0.12 0.52 5.03 -0.59 -2.90 117.51 120.83 2q3r h ILE 92 Ca -0.27 -3.05 -0.02 0.00 -0.12 0.00 0.00 64.86 61.40 2q3r h ILE 92 Cb 1.81 2.79 -0.00 0.00 -3.03 0.00 0.00 36.82 38.38 2q3r h ILE 92 CO 0.05 0.85 -0.01 0.58 -0.68 0.00 0.00 178.15 178.93 2q3r h VAL 93 N 0.04 1.27 -0.21 1.67 2.07 -1.45 -3.07 116.25 116.57 2q3r h VAL 93 Ca -0.15 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 2q3r h VAL 93 Cb 1.93 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 2q3r h VAL 93 CO 0.15 0.26 -0.12 0.44 0.02 0.00 0.00 177.57 178.32 2q3r h ASP 94 N -0.07 0.32 0.26 0.57 3.32 -1.62 0.30 116.42 119.50 2q3r h ASP 94 Ca 0.03 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2q3r h ASP 94 Cb 0.40 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2q3r h ASP 94 CO 0.01 0.47 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 2q3r n ALA 95 N -2.49 1.63 -0.01 3.45 0.00 -1.09 -1.38 120.51 120.62 2q3r n ALA 95 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 2q3r n ALA 95 Cb 0.28 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 2q3r n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2q3r n VAL 96 N -1.35 0.09 1.50 0.00 0.31 -0.31 -4.24 118.33 114.33 2q3r n VAL 96 Ca 0.04 -0.08 0.15 0.00 -0.01 0.00 0.00 64.34 64.44 2q3r n VAL 96 Cb 0.10 -0.32 0.69 0.00 -0.91 0.00 0.00 33.84 33.40 2q3r n VAL 96 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2q3r n HIS 97 N -1.87 0.00 0.15 3.52 -0.00 0.91 -1.83 115.22 116.09 2q3r n HIS 97 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.72 2q3r n HIS 97 Cb 0.35 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.99 30.13 2q3r n HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2q3r n ALA 98 N -0.99 2.49 0.66 -1.41 0.00 -0.48 -4.52 120.51 116.24 2q3r n ALA 98 Ca 0.16 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.58 2q3r n ALA 98 Cb 0.25 -0.18 0.11 0.00 0.00 0.00 0.00 19.45 19.62 2q3r n ALA 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2q3r n LYS 99 N -1.33 0.23 0.00 0.00 3.00 -1.19 -4.99 118.16 113.88 2q3r n LYS 99 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2q3r n LYS 99 Cb 0.10 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.53 2q3r n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2q3r n GLY 100 N 1.38 1.08 3.83 3.14 0.00 -1.01 -3.80 105.19 109.81 2q3r n GLY 100 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2q3r n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2q3r s GLY 101 N -2.12 1.69 -0.20 -0.02 0.00 -0.76 -0.60 107.32 105.31 2q3r s GLY 101 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 44.72 44.72 2q3r s GLY 101 CO 0.00 0.38 0.07 -0.42 0.00 0.00 0.00 173.10 173.13 2q3r s ILE 102 N -3.04 4.68 -0.16 0.90 1.09 0.36 -4.57 121.20 120.48 2q3r s ILE 102 Ca 0.58 -0.06 0.02 0.00 -1.10 0.00 0.00 60.65 60.08 2q3r s ILE 102 Cb -0.14 -3.13 0.01 0.00 -1.06 0.00 0.00 42.46 38.14 2q3r s ILE 102 CO 0.54 0.42 -0.20 0.12 -0.10 0.00 0.00 174.94 175.72 2q3r s PHE 103 N 0.71 2.72 -0.05 3.97 2.19 -1.26 -1.59 117.98 124.68 2q3r s PHE 103 Ca 0.03 -1.39 0.06 0.00 0.33 0.00 0.00 56.93 55.97 2q3r s PHE 103 Cb -0.13 -1.86 -0.02 0.00 -1.31 0.00 0.00 43.02 39.70 2q3r s PHE 103 CO 0.02 -0.65 -0.23 -0.06 1.83 0.00 0.00 175.22 176.13 2q3r s PHE 104 N 0.97 2.47 -0.31 10.12 0.40 -0.73 -1.41 117.98 129.49 2q3r s PHE 104 Ca -0.03 -0.50 -0.18 0.00 -0.60 0.00 0.00 56.93 55.63 2q3r s PHE 104 Cb -0.15 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2q3r s PHE 104 CO -0.05 -0.07 0.49 0.00 0.70 0.00 0.00 175.22 176.29 2q3r s GLN 106 N 2.32 4.63 -0.07 0.00 0.74 -1.26 -0.90 119.66 125.12 2q3r s GLN 106 Ca 0.19 1.45 0.05 0.00 0.05 0.00 0.00 55.36 57.10 2q3r s GLN 106 Cb -0.16 -3.41 -0.00 0.00 1.10 0.00 0.00 33.01 30.55 2q3r s GLN 106 CO 0.12 0.09 -0.22 0.96 -0.55 0.00 0.00 175.29 175.69 2q3r s ILE 107 N 0.42 1.87 0.00 -2.34 -4.36 0.56 -0.49 121.20 116.86 2q3r s ILE 107 Ca 0.49 -0.94 0.00 0.00 -0.26 0.00 0.00 60.65 59.95 2q3r s ILE 107 Cb -0.23 -1.61 0.00 0.00 1.25 0.00 0.00 42.46 41.87 2q3r s ILE 107 CO 0.29 0.52 0.00 -2.67 0.24 0.00 0.00 174.94 173.32 2q3r n TRP 108 N 3.30 0.00 -3.41 1.37 4.27 -0.47 0.24 117.44 122.73 2q3r n TRP 108 Ca -0.19 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.44 2q3r n TRP 108 Cb 0.52 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.43 2q3r n TRP 108 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 2q3r s HIS 109 N -0.53 -0.56 -0.50 -2.67 2.46 -1.26 -2.68 115.29 109.55 2q3r s HIS 109 Ca 0.00 0.99 0.25 0.00 0.47 0.00 0.00 55.06 56.77 2q3r s HIS 109 Cb 0.00 0.33 0.93 0.00 -0.13 0.00 0.00 32.58 33.71 2q3r s HIS 109 CO 0.00 -0.28 1.76 -0.39 -2.47 0.00 0.00 174.74 173.36 2q3r h VAL 110 N 5.35 0.00 0.00 0.89 -1.51 -1.12 1.11 116.25 120.96 2q3r h VAL 110 Ca -0.17 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2q3r h VAL 110 Cb 1.13 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2q3r h VAL 110 CO 0.10 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.05 2q3r n GLY 111 N 0.51 3.71 0.28 5.19 0.00 -1.26 -1.09 105.19 112.53 2q3r n GLY 111 Ca 0.03 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.20 2q3r n GLY 111 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2q3r h ARG 112 N 0.00 0.00 -3.72 1.61 0.11 -1.88 -3.35 114.38 107.15 2q3r h ARG 112 Ca 0.00 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.57 2q3r h ARG 112 Cb 0.00 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.10 2q3r h ARG 112 CO 0.00 0.06 2.72 0.28 0.10 0.00 0.00 179.97 183.13 2q3r n VAL 113 N -3.29 2.57 -3.65 0.08 0.31 -0.25 -4.65 118.33 109.44 2q3r n VAL 113 Ca -0.01 -1.75 -0.04 0.00 -0.01 0.00 0.00 64.34 62.53 2q3r n VAL 113 Cb 0.25 -2.28 0.02 0.00 -0.91 0.00 0.00 33.84 30.92 2q3r n VAL 113 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2q3r n SER 114 N 5.19 -1.33 -3.94 4.52 2.88 -1.26 -3.99 113.62 115.69 2q3r n SER 114 Ca 0.50 -1.81 -0.10 0.00 -1.33 0.00 0.00 58.87 56.14 2q3r n SER 114 Cb 0.24 2.19 -0.06 0.00 -0.75 0.00 0.00 64.21 65.83 2q3r n SER 114 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2q3r s ASN 115 N -2.54 -0.02 0.38 -3.46 6.03 -1.26 -3.71 114.94 110.36 2q3r s ASN 115 Ca 0.13 -0.83 0.19 0.00 -1.03 0.00 0.00 52.86 51.33 2q3r s ASN 115 Cb -0.03 0.47 1.19 0.00 -3.03 0.00 0.00 41.25 39.86 2q3r s ASN 115 CO 0.06 -0.94 1.66 0.77 -2.03 0.00 0.00 177.10 176.62 2q3r h SER 116 N 2.46 0.43 -0.01 3.54 4.64 -1.84 0.66 113.55 123.44 2q3r h SER 116 Ca -0.31 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2q3r h SER 116 Cb 1.24 0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2q3r h SER 116 CO 0.45 -0.13 0.01 1.23 -0.87 0.00 0.00 176.83 177.52 2q3r h GLY 117 N 0.26 0.00 0.12 -0.77 0.00 -1.89 -2.02 103.07 98.76 2q3r h GLY 117 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.07 2q3r h GLY 117 CO -0.52 0.00 -1.22 0.69 0.00 0.00 0.00 176.54 175.48 2q3r n PHE 118 N -3.46 0.03 -3.83 5.60 3.72 0.23 -4.96 117.46 114.79 2q3r n PHE 118 Ca -0.03 0.01 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 2q3r n PHE 118 Cb 0.09 -0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 38.39 2q3r n PHE 118 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2q3r s GLN 119 N -3.15 3.50 0.54 -1.08 -1.52 -0.76 -4.80 119.66 112.39 2q3r s GLN 119 Ca 0.04 -0.12 -0.21 0.00 -1.95 0.00 0.00 55.36 53.12 2q3r s GLN 119 Cb 0.15 -3.15 -0.06 0.00 -0.22 0.00 0.00 33.01 29.73 2q3r s GLN 119 CO 0.86 0.72 1.11 -2.30 -0.25 0.00 0.00 175.29 175.44 2q3r n PRO 120 N 1.56 1.30 -1.34 2.91 -0.02 -1.26 -1.34 135.00 136.81 2q3r n PRO 120 Ca -0.16 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.67 2q3r n PRO 120 Cb 0.54 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2q3r n PRO 120 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2q3r n ASN 121 N -0.52 -4.87 -0.96 2.55 3.02 -1.26 -1.40 115.26 111.81 2q3r n ASN 121 Ca 0.11 0.32 -0.13 0.00 -0.03 0.00 0.00 54.58 54.86 2q3r n ASN 121 Cb 0.44 -3.93 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 2q3r n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3r n GLY 122 N 0.01 1.21 3.68 7.41 0.00 -0.45 -4.95 105.19 112.10 2q3r n GLY 122 Ca -0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2q3r n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q3r s LYS 123 N -3.04 1.03 0.61 1.61 1.02 -0.49 -4.70 119.74 115.79 2q3r s LYS 123 Ca 0.00 1.07 -0.18 0.00 0.02 0.00 0.00 55.97 56.88 2q3r s LYS 123 Cb 0.00 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 2q3r s LYS 123 CO 0.00 -2.47 1.19 0.00 -0.92 0.00 0.00 175.35 173.15 2q3r s ALA 124 N -2.78 2.50 0.88 5.17 0.00 -1.26 -4.42 121.76 121.85 2q3r s ALA 124 Ca 0.65 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 53.43 2q3r s ALA 124 Cb -0.20 -3.43 0.12 0.00 0.00 0.00 0.00 23.12 19.61 2q3r s ALA 124 CO 0.58 -1.23 1.12 -2.14 0.00 0.00 0.00 175.76 174.09 2q3r s PRO 125 N -3.48 1.32 -0.00 0.00 0.02 -1.26 -4.77 135.00 126.83 2q3r s PRO 125 Ca 0.75 1.31 0.04 0.00 0.02 0.00 0.00 61.00 63.12 2q3r s PRO 125 Cb -0.29 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 2q3r s PRO 125 CO 0.35 -2.34 -0.10 0.96 -0.33 0.00 0.00 177.00 175.54 2q3r s ILE 126 N -2.75 3.42 -0.00 2.83 -4.36 -1.26 -1.65 121.20 117.43 2q3r s ILE 126 Ca 0.65 -0.83 -0.23 0.00 -0.26 0.00 0.00 60.65 59.98 2q3r s ILE 126 Cb -0.21 -2.46 0.05 0.00 1.25 0.00 0.00 42.46 41.10 2q3r s ILE 126 CO 0.58 0.42 0.51 -0.55 0.24 0.00 0.00 174.94 176.14 2q3r s SER 127 N -1.30 -0.44 0.44 4.36 0.15 -1.02 -2.97 113.70 112.90 2q3r s SER 127 Ca 0.16 0.33 0.29 0.00 0.70 0.00 0.00 55.95 57.42 2q3r s SER 127 Cb -0.11 0.46 1.38 0.00 -1.71 0.00 0.00 66.02 66.04 2q3r s SER 127 CO 0.06 -0.61 1.65 0.00 1.20 0.00 0.00 173.24 175.54 2q3r n SER 129 N -4.66 1.65 -1.46 0.00 3.41 -1.26 -3.84 113.62 107.46 2q3r n SER 129 Ca 0.35 -2.73 -0.07 0.00 -0.26 0.00 0.00 58.87 56.16 2q3r n SER 129 Cb 1.35 0.69 0.21 0.00 -0.26 0.00 0.00 64.21 66.21 2q3r n SER 129 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2q3r n ASP 130 N -1.54 3.19 -4.66 4.04 5.75 -1.26 -3.71 116.55 118.36 2q3r n ASP 130 Ca -0.08 -3.58 -0.43 0.00 -0.01 0.00 0.00 54.79 50.69 2q3r n ASP 130 Cb 0.49 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 39.88 2q3r n ASP 130 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2q3r s LYS 131 N -3.18 4.28 0.39 0.11 1.02 -1.26 -4.67 119.74 116.42 2q3r s LYS 131 Ca 0.48 1.46 -0.26 0.00 0.02 0.00 0.00 55.97 57.67 2q3r s LYS 131 Cb 0.42 -3.66 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 2q3r s LYS 131 CO 0.05 -0.61 1.27 -1.25 -0.92 0.00 0.00 175.35 173.89 2q3r s PRO 132 N 3.09 4.07 -0.17 -1.68 0.04 -1.26 -4.61 135.00 134.48 2q3r s PRO 132 Ca 0.48 2.09 -0.03 0.00 0.04 0.00 0.00 61.00 63.58 2q3r s PRO 132 Cb -0.18 -2.80 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 2q3r s PRO 132 CO 0.11 -0.39 -0.07 -1.17 0.04 0.00 0.00 177.00 175.52 2q3r s LEU 133 N -2.31 2.99 -1.13 -3.56 2.96 -1.26 -4.70 118.68 111.66 2q3r s LEU 133 Ca 0.55 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 2q3r s LEU 133 Cb -0.37 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2q3r s LEU 133 CO 0.47 0.11 0.89 0.23 -1.32 0.00 0.00 176.35 176.74 2q3r n MET 134 N 3.89 -3.56 0.26 1.98 2.81 -1.26 -4.58 117.12 116.65 2q3r n MET 134 Ca -0.18 0.77 0.10 0.00 -1.81 0.00 0.00 57.70 56.59 2q3r n MET 134 Cb 0.52 -5.53 0.67 0.00 -0.71 0.00 0.00 33.22 28.18 2q3r n MET 134 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2q3r h PRO 135 N -1.50 0.00 -0.71 0.03 0.13 -1.95 -2.84 132.00 125.15 2q3r h PRO 135 Ca -0.61 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2q3r h PRO 135 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 2q3r h PRO 135 CO 0.48 0.10 0.47 -0.56 -0.23 0.00 0.00 178.00 178.26 2q3r h GLN 136 N 0.00 0.77 -6.08 0.86 -0.00 -1.98 -3.39 115.11 105.29 2q3r h GLN 136 Ca -0.00 -0.05 -0.51 0.00 -0.00 0.00 0.00 58.65 58.09 2q3r h GLN 136 Cb 0.22 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.48 27.48 2q3r h GLN 136 CO 0.01 0.51 1.30 0.42 -0.00 0.00 0.00 178.83 181.08 2q3r s ILE 137 N -5.70 3.44 -0.20 1.86 1.01 -1.07 -4.96 121.20 115.57 2q3r s ILE 137 Ca -0.10 0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.58 2q3r s ILE 137 Cb 0.19 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 2q3r s ILE 137 CO 0.77 -0.95 0.92 -0.60 0.00 0.00 0.00 174.94 175.08 2q3r s ARG 138 N 6.65 4.27 0.19 2.79 6.06 -1.26 -3.38 118.95 134.27 2q3r s ARG 138 Ca 0.65 1.14 -0.33 0.00 -2.50 0.00 0.00 55.73 54.70 2q3r s ARG 138 Cb -0.13 -3.61 -0.15 0.00 0.06 0.00 0.00 34.95 31.12 2q3r s ARG 138 CO 0.22 -0.48 1.33 0.45 -2.50 0.00 0.00 175.30 174.33 2q3r n SER 139 N 5.78 2.16 -4.55 -2.12 2.88 -1.09 -4.74 113.62 111.94 2q3r n SER 139 Ca 0.08 1.13 -0.61 0.00 -1.33 0.00 0.00 58.87 58.13 2q3r n SER 139 Cb 0.48 -1.32 -0.10 0.00 -0.75 0.00 0.00 64.21 62.51 2q3r n SER 139 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2q3r n ASN 140 N 2.31 1.41 0.00 -3.46 3.02 -1.26 -2.05 115.26 115.23 2q3r n ASN 140 Ca 0.14 0.91 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 2q3r n ASN 140 Cb 0.27 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2q3r n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3r n GLY 141 N 5.46 2.47 3.91 7.41 0.00 -1.26 -5.00 105.19 118.17 2q3r n GLY 141 Ca 0.39 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2q3r n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q3r s ILE 142 N 0.00 2.01 -1.84 -0.61 1.01 -0.87 -4.96 121.20 115.94 2q3r s ILE 142 Ca 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 60.65 60.86 2q3r s ILE 142 Cb 0.00 -3.00 0.65 0.00 0.01 0.00 0.00 42.46 40.12 2q3r s ILE 142 CO 0.00 0.00 1.55 -0.90 0.00 0.00 0.00 174.94 175.59 2q3r n ASP 143 N -3.37 4.05 -3.50 3.58 3.85 -1.26 -4.13 116.55 115.76 2q3r n ASP 143 Ca 0.09 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.11 2q3r n ASP 143 Cb 0.61 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 2q3r n ASP 143 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2q3r n GLU 144 N 1.57 1.65 -4.51 0.11 2.13 -1.26 -4.79 120.64 115.54 2q3r n GLU 144 Ca 0.24 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.83 2q3r n GLU 144 Cb 0.65 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.23 2q3r n GLU 144 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2q3r s ALA 145 N -3.00 1.53 -0.05 4.31 0.00 -1.26 -2.68 121.76 120.61 2q3r s ALA 145 Ca 0.00 -0.98 0.13 0.00 0.00 0.00 0.00 51.96 51.11 2q3r s ALA 145 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2q3r s ALA 145 CO 0.00 0.32 1.41 1.25 0.00 0.00 0.00 175.76 178.75 2q3r h LEU 146 N 4.84 0.00 -7.60 0.00 5.85 -1.88 -3.36 115.31 113.17 2q3r h LEU 146 Ca -0.41 0.00 -0.79 0.00 0.84 0.00 0.00 57.88 57.52 2q3r h LEU 146 Cb 1.17 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 41.92 2q3r h LEU 146 CO 0.44 0.65 0.36 -0.36 -0.34 0.00 0.00 178.44 179.19 2q3r s PHE 147 N -2.93 4.17 -0.55 1.25 0.40 -1.26 -4.72 117.98 114.34 2q3r s PHE 147 Ca 0.03 -2.60 -0.41 0.00 -0.60 0.00 0.00 56.93 53.35 2q3r s PHE 147 Cb 0.09 -3.80 -0.18 0.00 0.51 0.00 0.00 43.02 39.63 2q3r s PHE 147 CO 0.77 -0.94 2.23 2.41 0.70 0.00 0.00 175.22 180.38 2q3r n THR 148 N 2.89 0.02 -1.51 0.64 -1.04 -1.24 -4.58 114.28 109.46 2q3r n THR 148 Ca 0.22 -0.04 -0.52 0.00 -2.04 0.00 0.00 64.05 61.67 2q3r n THR 148 Cb 0.40 -0.67 -0.05 0.00 -1.82 0.00 0.00 70.33 68.20 2q3r n THR 148 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2q3r n PRO 149 N 7.74 0.52 -2.53 -2.82 -0.02 -1.26 -4.45 135.00 132.18 2q3r n PRO 149 Ca 0.55 0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 2q3r n PRO 149 Cb 0.01 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 2q3r n PRO 149 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2q3r s PRO 150 N -0.43 3.84 -0.21 0.52 0.04 -1.26 -4.51 135.00 132.99 2q3r s PRO 150 Ca 0.76 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 2q3r s PRO 150 Cb -1.00 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 2q3r s PRO 150 CO 0.55 -0.38 0.55 0.50 0.04 0.00 0.00 177.00 178.26 2q3r s ARG 151 N -3.39 4.18 0.04 4.56 3.52 -0.66 -4.21 118.95 122.99 2q3r s ARG 151 Ca 0.65 0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 56.42 2q3r s ARG 151 Cb -0.14 -3.58 -0.08 0.00 -1.56 0.00 0.00 34.95 29.59 2q3r s ARG 151 CO 0.21 -0.20 1.85 0.50 -0.81 0.00 0.00 175.30 176.86 2q3r s ARG 152 N 1.79 4.15 0.08 5.12 3.52 -1.24 -2.45 118.95 129.92 2q3r s ARG 152 Ca 0.25 2.50 -0.31 0.00 -0.13 0.00 0.00 55.73 58.05 2q3r s ARG 152 Cb -0.16 -3.96 -0.09 0.00 -1.56 0.00 0.00 34.95 29.18 2q3r s ARG 152 CO 0.10 -0.89 1.85 -0.51 -0.81 0.00 0.00 175.30 175.04 2q3r s LEU 153 N 3.86 4.40 0.18 -0.88 1.43 -0.78 -4.95 118.68 121.94 2q3r s LEU 153 Ca 0.83 2.67 -0.31 0.00 -1.03 0.00 0.00 54.13 56.28 2q3r s LEU 153 Cb -0.41 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.16 2q3r s LEU 153 CO 0.37 -1.01 1.56 -0.83 0.23 0.00 0.00 176.35 176.68 2q3r s GLY 154 N 3.35 1.64 0.67 -3.19 0.00 -1.26 -4.83 107.32 103.70 2q3r s GLY 154 Ca 0.83 1.38 0.36 0.00 0.00 0.00 0.00 44.72 47.28 2q3r s GLY 154 CO 0.37 2.60 2.10 1.19 0.00 0.00 0.00 173.10 179.36 2q3r h ILE 155 N 3.95 0.01 0.00 0.90 2.10 -1.99 0.54 117.51 123.02 2q3r h ILE 155 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 2q3r h ILE 155 Cb 1.21 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 2q3r h ILE 155 CO 0.90 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 177.35 2q3r n GLU 156 N -2.98 0.97 -0.00 2.19 1.02 -1.26 -3.19 120.64 117.38 2q3r n GLU 156 Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.17 2q3r n GLU 156 Cb 0.26 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 2q3r n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2q3r n GLU 157 N -1.01 2.38 -0.14 3.49 1.02 0.19 -4.68 120.64 121.89 2q3r n GLU 157 Ca 0.23 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2q3r n GLU 157 Cb 0.11 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 2q3r n GLU 157 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2q3r h ILE 158 N 0.00 1.24 -0.20 -3.67 2.04 -1.55 -2.67 117.51 112.70 2q3r h ILE 158 Ca 0.00 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.02 2q3r h ILE 158 Cb 0.35 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2q3r h ILE 158 CO 0.00 0.30 0.14 -0.65 0.00 0.00 0.00 178.15 177.93 2q3r h PRO 159 N 0.52 0.18 -0.08 2.37 0.11 -1.83 -1.52 132.00 131.76 2q3r h PRO 159 Ca 0.12 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.04 2q3r h PRO 159 Cb 0.36 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 2q3r h PRO 159 CO 0.01 0.12 -0.73 0.78 -0.21 0.00 0.00 178.00 177.97 2q3r h GLY 160 N 0.19 0.44 1.24 -0.55 0.00 -1.82 -2.79 103.07 99.78 2q3r h GLY 160 Ca 0.08 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 2q3r h GLY 160 CO -0.02 0.56 -0.22 -2.22 0.00 0.00 0.00 176.54 174.65 2q3r h ILE 161 N 0.27 1.27 0.00 2.60 2.04 -1.02 -0.31 117.51 122.37 2q3r h ILE 161 Ca -0.03 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2q3r h ILE 161 Cb 1.30 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2q3r h ILE 161 CO 0.12 0.46 0.00 0.58 0.00 0.00 0.00 178.15 179.31 2q3r h VAL 162 N 0.76 0.00 0.00 1.67 2.07 -1.23 0.22 116.25 119.74 2q3r h VAL 162 Ca 0.10 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2q3r h VAL 162 Cb 0.76 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2q3r h VAL 162 CO 0.06 0.00 -0.96 -3.20 0.02 0.00 0.00 177.57 173.49 2q3r n ASN 163 N -2.80 0.68 0.10 0.57 2.85 -0.20 -3.82 115.26 112.65 2q3r n ASN 163 Ca -0.02 0.09 -0.03 0.00 -0.11 0.00 0.00 54.58 54.51 2q3r n ASN 163 Cb 0.11 0.56 0.15 0.00 1.24 0.00 0.00 39.78 41.85 2q3r n ASN 163 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2q3r h ASP 164 N 0.00 0.18 0.10 1.20 3.32 -0.21 -1.86 116.42 119.16 2q3r h ASP 164 Ca 0.00 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 2q3r h ASP 164 Cb 0.84 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2q3r h ASP 164 CO 0.00 0.72 -0.34 -0.26 -1.72 0.00 0.00 179.24 177.64 2q3r h PHE 165 N 0.12 0.39 -0.26 4.55 -1.00 -1.65 -1.71 116.94 117.39 2q3r h PHE 165 Ca -0.00 -0.09 -0.15 0.00 2.81 0.00 0.00 57.97 60.53 2q3r h PHE 165 Cb 1.06 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 2q3r h PHE 165 CO 0.01 0.65 -0.47 -0.09 -1.61 0.00 0.00 178.31 176.81 2q3r h ARG 166 N 0.30 0.67 -0.56 1.51 2.43 -1.54 0.21 114.38 117.40 2q3r h ARG 166 Ca 0.04 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 58.75 2q3r h ARG 166 Cb 0.75 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2q3r h ARG 166 CO 0.06 1.00 0.08 1.25 -1.51 0.00 0.00 179.97 180.85 2q3r h LEU 167 N 0.54 0.90 -0.13 3.80 5.85 -1.06 0.55 115.31 125.76 2q3r h LEU 167 Ca 0.03 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2q3r h LEU 167 Cb 1.01 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2q3r h LEU 167 CO 0.10 0.94 -0.00 0.00 -0.34 0.00 0.00 178.44 179.13 2q3r h ALA 168 N 1.00 0.18 -0.39 1.25 0.00 -1.10 -0.78 119.26 119.41 2q3r h ALA 168 Ca 0.17 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2q3r h ALA 168 Cb 0.43 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2q3r h ALA 168 CO 0.01 -0.13 0.17 0.00 0.00 0.00 0.00 179.25 179.30 2q3r h ALA 169 N 0.75 0.47 -0.44 0.00 0.00 -0.48 0.16 119.26 119.72 2q3r h ALA 169 Ca 0.04 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2q3r h ALA 169 Cb 0.37 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2q3r h ALA 169 CO 0.01 -0.21 0.18 -0.09 0.00 0.00 0.00 179.25 179.14 2q3r h ARG 170 N 0.35 0.36 -0.12 0.00 9.65 -0.72 -0.83 114.38 123.08 2q3r h ARG 170 Ca 0.17 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 2q3r h ARG 170 Cb 0.11 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2q3r h ARG 170 CO -0.15 0.24 -0.17 -0.91 2.80 0.00 0.00 179.97 181.79 2q3r h ASN 171 N 0.37 0.18 0.36 -3.80 4.21 -0.45 -1.59 115.58 114.87 2q3r h ASN 171 Ca 0.20 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 2q3r h ASN 171 Cb 0.16 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 2q3r h ASN 171 CO -0.18 0.37 -0.29 0.00 -1.29 0.00 0.00 177.43 176.03 2q3r h ALA 172 N 1.66 -0.66 -0.83 -0.83 0.00 0.73 0.15 119.26 119.47 2q3r h ALA 172 Ca 0.03 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2q3r h ALA 172 Cb 0.41 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 2q3r h ALA 172 CO 0.03 -0.90 0.51 0.52 0.00 0.00 0.00 179.25 179.40 2q3r h MET 173 N -0.66 0.89 -0.83 0.00 2.86 -1.13 -0.96 114.93 115.10 2q3r h MET 173 Ca -0.03 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 2q3r h MET 173 Cb 0.58 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 2q3r h MET 173 CO -0.02 0.59 0.54 1.49 1.06 0.00 0.00 176.91 180.57 2q3r h GLU 174 N 0.92 0.80 0.00 1.72 4.81 -0.63 0.55 114.58 122.75 2q3r h GLU 174 Ca 0.37 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2q3r h GLU 174 Cb 0.19 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2q3r h GLU 174 CO -0.18 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 178.63 2q3r n ALA 175 N -2.43 2.30 0.00 2.92 0.00 -0.02 -4.92 120.51 118.37 2q3r n ALA 175 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2q3r n ALA 175 Cb 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2q3r n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q3r n GLY 176 N 1.26 0.35 3.65 0.00 0.00 0.19 -3.94 105.19 106.70 2q3r n GLY 176 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 2q3r n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2q3r n PHE 177 N -1.73 1.86 0.08 1.61 0.99 -0.96 -4.89 117.46 114.41 2q3r n PHE 177 Ca 0.00 0.57 -0.04 0.00 -0.00 0.00 0.00 57.45 57.98 2q3r n PHE 177 Cb 0.00 -2.37 0.15 0.00 -1.00 0.00 0.00 39.48 36.26 2q3r n PHE 177 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 2q3r h ASP 178 N 3.03 0.29 -2.23 4.37 3.32 -1.58 -3.40 116.42 120.21 2q3r h ASP 178 Ca -0.44 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.40 2q3r h ASP 178 Cb 1.30 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2q3r h ASP 178 CO 0.67 0.77 0.05 0.61 -1.72 0.00 0.00 179.24 179.62 2q3r n GLY 179 N 0.11 1.96 2.86 2.75 0.00 -0.91 -4.87 105.19 107.10 2q3r n GLY 179 Ca -0.02 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 2q3r n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q3r s VAL 180 N -2.60 0.16 -0.22 1.61 1.01 -0.56 -0.88 120.40 118.92 2q3r s VAL 180 Ca 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2q3r s VAL 180 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2q3r s VAL 180 CO 0.07 0.10 -0.02 -0.70 0.00 0.00 0.00 175.10 174.55 2q3r s GLU 181 N 0.53 3.46 -0.23 2.72 2.12 -0.08 -1.30 118.70 125.92 2q3r s GLU 181 Ca -0.05 -0.58 -0.29 0.00 0.36 0.00 0.00 54.97 54.40 2q3r s GLU 181 Cb -0.08 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2q3r s GLU 181 CO -0.01 -0.17 1.17 0.42 -0.54 0.00 0.00 175.26 176.13 2q3r s ILE 182 N 1.44 4.43 -1.17 -3.70 1.01 0.06 -0.33 121.20 122.94 2q3r s ILE 182 Ca 0.05 1.70 -0.20 0.00 0.00 0.00 0.00 60.65 62.20 2q3r s ILE 182 Cb -0.14 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.18 2q3r s ILE 182 CO -0.01 -0.26 1.64 -2.28 0.00 0.00 0.00 174.94 174.04 2q3r s HIS 183 N 3.56 2.61 -0.43 3.97 2.46 0.14 -1.54 115.29 126.06 2q3r s HIS 183 Ca 0.50 -1.15 0.05 0.00 0.47 0.00 0.00 55.06 54.92 2q3r s HIS 183 Cb -0.17 -4.68 0.61 0.00 -0.13 0.00 0.00 32.58 28.21 2q3r s HIS 183 CO 0.13 -1.83 1.82 0.41 -2.47 0.00 0.00 174.74 172.80 2q3r n GLY 184 N 6.04 4.73 0.00 1.59 0.00 -1.11 -4.52 105.19 111.93 2q3r n GLY 184 Ca 0.42 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2q3r n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q3r n ALA 185 N -1.12 0.00 -4.22 4.61 0.00 -1.22 -4.04 120.51 114.52 2q3r n ALA 185 Ca 0.54 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.64 2q3r n ALA 185 Cb 1.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.86 2q3r n ALA 185 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2q3r n ASN 186 N -1.42 -2.18 -0.52 0.00 3.02 -1.26 -2.31 115.26 110.60 2q3r n ASN 186 Ca 0.00 -1.06 -0.07 0.00 -0.03 0.00 0.00 54.58 53.42 2q3r n ASN 186 Cb 0.00 -2.58 -0.03 0.00 -0.61 0.00 0.00 39.78 36.56 2q3r n ASN 186 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3r n GLY 187 N -1.58 0.78 0.00 7.41 0.00 -1.25 -4.77 105.19 105.78 2q3r n GLY 187 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2q3r n GLY 187 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q3r n TYR 188 N -2.43 -1.29 -0.09 1.61 4.01 -0.98 -4.50 117.16 113.49 2q3r n TYR 188 Ca -0.07 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.54 2q3r n TYR 188 Cb 0.41 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.35 2q3r n TYR 188 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2q3r h LEU 189 N 0.00 -1.67 0.07 7.72 5.85 0.11 0.77 115.31 128.16 2q3r h LEU 189 Ca 0.00 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2q3r h LEU 189 Cb 0.00 0.68 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2q3r h LEU 189 CO 0.00 -0.42 -0.03 0.40 -0.34 0.00 0.00 178.44 178.05 2q3r h ILE 190 N -0.45 1.01 -0.84 4.05 2.04 -1.80 -2.14 117.51 119.39 2q3r h ILE 190 Ca 0.08 -0.25 0.11 0.00 1.00 0.00 0.00 64.86 65.80 2q3r h ILE 190 Cb 0.62 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 2q3r h ILE 190 CO -0.53 0.06 0.54 -0.78 0.00 0.00 0.00 178.15 177.45 2q3r h ASP 191 N -0.20 0.69 -0.39 1.72 3.58 -1.63 0.18 116.42 120.38 2q3r h ASP 191 Ca -0.01 0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.56 2q3r h ASP 191 Cb 0.17 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2q3r h ASP 191 CO 0.01 0.40 0.27 1.56 -2.88 0.00 0.00 179.24 178.61 2q3r h GLN 192 N 0.76 0.07 0.09 0.28 4.20 0.12 -1.58 115.11 119.05 2q3r h GLN 192 Ca 0.39 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.81 2q3r h GLN 192 Cb 0.49 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2q3r h GLN 192 CO -0.16 0.05 -1.46 0.74 -0.67 0.00 0.00 178.83 177.32 2q3r h PHE 193 N 0.07 0.33 -0.11 2.96 -1.00 -0.49 -3.32 116.94 115.39 2q3r h PHE 193 Ca 0.18 -0.24 -0.12 0.00 2.81 0.00 0.00 57.97 60.59 2q3r h PHE 193 Cb 0.64 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.19 2q3r h PHE 193 CO -0.00 1.28 -0.41 0.52 -1.61 0.00 0.00 178.31 178.09 2q3r h MET 194 N 0.05 0.47 -6.37 1.51 2.86 -0.48 -3.43 114.93 109.54 2q3r h MET 194 Ca -0.21 -0.36 -0.54 0.00 -2.06 0.00 0.00 59.70 56.53 2q3r h MET 194 Cb 1.98 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.71 2q3r h MET 194 CO 0.15 0.99 0.97 0.15 1.06 0.00 0.00 176.91 180.23 2q3r s LYS 195 N -3.76 4.22 0.00 1.72 -0.14 -0.68 -4.86 119.74 116.25 2q3r s LYS 195 Ca -0.13 2.16 0.00 0.00 -1.36 0.00 0.00 55.97 56.64 2q3r s LYS 195 Cb 0.05 -3.70 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 2q3r s LYS 195 CO 0.81 -0.71 0.50 -0.40 -0.76 0.00 0.00 175.35 174.79 2q3r n ASP 196 N 5.98 0.18 -0.06 2.83 5.75 -1.26 -1.60 116.55 128.36 2q3r n ASP 196 Ca 0.15 -1.18 0.03 0.00 -0.01 0.00 0.00 54.79 53.78 2q3r n ASP 196 Cb 0.42 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 2q3r n ASP 196 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2q3r n THR 197 N -0.29 0.00 -0.05 2.12 -2.24 -1.25 -4.68 114.28 107.90 2q3r n THR 197 Ca 0.00 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 2q3r n THR 197 Cb 0.04 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 2q3r n THR 197 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2q3r n VAL 198 N -0.80 0.58 -3.45 2.28 0.31 -0.63 -4.96 118.33 111.66 2q3r n VAL 198 Ca 0.02 -0.30 -0.41 0.00 -0.01 0.00 0.00 64.34 63.64 2q3r n VAL 198 Cb 0.12 -0.82 -0.10 0.00 -0.91 0.00 0.00 33.84 32.13 2q3r n VAL 198 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2q3r s ASN 199 N -4.43 6.13 -0.22 4.52 2.47 -0.93 -4.52 114.94 117.95 2q3r s ASN 199 Ca -0.08 -0.42 0.12 0.00 0.42 0.00 0.00 52.86 52.89 2q3r s ASN 199 Cb 0.03 -2.17 0.44 0.00 -1.45 0.00 0.00 41.25 38.09 2q3r s ASN 199 CO 0.30 -0.33 1.20 -0.90 -3.72 0.00 0.00 177.10 173.65 2q3r n ASP 200 N 5.27 2.54 -4.78 -4.21 5.75 -1.26 -4.67 116.55 115.20 2q3r n ASP 200 Ca -0.11 -3.62 -0.35 0.00 -0.01 0.00 0.00 54.79 50.70 2q3r n ASP 200 Cb 0.49 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2q3r n ASP 200 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2q3r s ARG 201 N -3.08 3.36 -0.19 0.11 0.52 -1.26 -4.87 118.95 113.53 2q3r s ARG 201 Ca 0.41 1.56 0.15 0.00 -0.52 0.00 0.00 55.73 57.33 2q3r s ARG 201 Cb 0.38 -2.01 0.46 0.00 0.52 0.00 0.00 34.95 34.30 2q3r s ARG 201 CO -0.05 -0.83 1.35 0.25 0.02 0.00 0.00 175.30 176.04 2q3r n THR 202 N -1.37 2.23 -3.66 0.02 -2.24 -1.26 -2.08 114.28 105.93 2q3r n THR 202 Ca 0.11 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 2q3r n THR 202 Cb 0.51 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2q3r n THR 202 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3r n ASP 203 N -0.92 1.50 0.12 3.42 3.85 -1.26 -5.00 116.55 118.26 2q3r n ASP 203 Ca 0.22 -0.91 0.09 0.00 -0.71 0.00 0.00 54.79 53.48 2q3r n ASP 203 Cb 0.84 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 41.07 2q3r n ASP 203 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2q3r n GLU 204 N -0.23 0.12 -0.55 0.11 0.28 -1.26 -2.07 120.64 117.04 2q3r n GLU 204 Ca 0.00 0.55 0.09 0.00 -0.16 0.00 0.00 57.16 57.64 2q3r n GLU 204 Cb 0.00 -1.84 0.33 0.00 1.43 0.00 0.00 31.44 31.36 2q3r n GLU 204 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2q3r n TYR 205 N -2.08 1.34 -3.82 -1.84 4.01 -1.26 -4.49 117.16 109.01 2q3r n TYR 205 Ca -0.00 -0.54 -0.02 0.00 -0.16 0.00 0.00 57.90 57.17 2q3r n TYR 205 Cb 0.08 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 38.90 2q3r n TYR 205 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2q3r s GLY 206 N -0.87 -0.07 0.00 2.72 0.00 -0.88 -4.18 107.32 104.04 2q3r s GLY 206 Ca 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.14 2q3r s GLY 206 CO 0.24 1.71 0.00 0.61 0.00 0.00 0.00 173.10 175.66 2q3r n GLY 207 N -0.63 0.60 3.50 0.20 0.00 -0.88 -4.27 105.19 103.71 2q3r n GLY 207 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2q3r n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q3r s SER 208 N -2.81 -0.37 0.16 1.61 1.04 -1.26 -5.02 113.70 107.06 2q3r s SER 208 Ca 0.00 -0.00 -0.17 0.00 0.48 0.00 0.00 55.95 56.26 2q3r s SER 208 Cb 0.00 0.39 0.09 0.00 0.10 0.00 0.00 66.02 66.60 2q3r s SER 208 CO 0.00 -0.64 1.67 0.25 0.98 0.00 0.00 173.24 175.51 2q3r h LEU 209 N 2.00 -0.33 0.64 2.42 5.85 -1.95 0.58 115.31 124.51 2q3r h LEU 209 Ca -0.23 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2q3r h LEU 209 Cb 1.24 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2q3r h LEU 209 CO 0.31 -0.12 -0.32 1.56 -0.34 0.00 0.00 178.44 179.54 2q3r h GLN 210 N 0.01 -0.84 -0.63 1.25 4.20 -1.98 -1.65 115.11 115.47 2q3r h GLN 210 Ca 0.19 0.06 0.15 0.00 0.06 0.00 0.00 58.65 59.10 2q3r h GLN 210 Cb 0.28 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2q3r h GLN 210 CO -0.39 -0.56 0.44 -0.91 -0.67 0.00 0.00 178.83 176.74 2q3r h ASN 211 N -0.87 0.20 0.56 1.46 4.21 -1.71 -0.58 115.58 118.85 2q3r h ASN 211 Ca -0.09 0.01 -0.17 0.00 1.21 0.00 0.00 56.30 57.26 2q3r h ASN 211 Cb 0.68 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 2q3r h ASN 211 CO 0.13 0.11 -0.76 0.03 -1.29 0.00 0.00 177.43 175.65 2q3r h ARG 212 N 0.22 0.16 -0.01 0.81 3.08 -0.46 -3.10 114.38 115.08 2q3r h ARG 212 Ca 0.31 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2q3r h ARG 212 Cb 0.90 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2q3r h ARG 212 CO -0.06 0.85 -0.12 0.00 -1.07 0.00 0.00 179.97 179.57 2q3r h LYS 214 N 1.25 1.17 0.47 0.00 3.64 -1.27 -2.13 116.57 119.70 2q3r h LYS 214 Ca 0.00 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2q3r h LYS 214 Cb 0.42 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2q3r h LYS 214 CO 0.00 0.86 -0.23 0.35 -2.27 0.00 0.00 179.45 178.16 2q3r h PHE 215 N 1.18 -0.59 -0.55 1.91 3.57 -1.76 -0.72 116.94 119.98 2q3r h PHE 215 Ca 0.30 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2q3r h PHE 215 Cb 0.03 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2q3r h PHE 215 CO 0.01 -0.33 0.35 -1.00 -2.23 0.00 0.00 178.31 175.11 2q3r h PRO 216 N -0.70 0.73 -0.34 6.41 0.13 -1.79 -2.14 132.00 134.31 2q3r h PRO 216 Ca -0.06 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2q3r h PRO 216 Cb 0.52 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 2q3r h PRO 216 CO 0.11 0.50 0.19 -0.07 -0.23 0.00 0.00 178.00 178.49 2q3r h LEU 217 N 0.74 0.40 -0.72 1.56 3.38 -1.32 -0.52 115.31 118.83 2q3r h LEU 217 Ca 0.20 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2q3r h LEU 217 Cb -0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2q3r h LEU 217 CO -0.04 0.32 -0.18 -0.33 0.09 0.00 0.00 178.44 178.30 2q3r h GLU 218 N 0.46 0.79 -0.25 1.13 5.08 -0.54 -1.79 114.58 119.47 2q3r h GLU 218 Ca 0.12 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 2q3r h GLU 218 Cb 0.01 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2q3r h GLU 218 CO -0.02 0.91 -0.28 0.82 -1.00 0.00 0.00 179.01 179.45 2q3r h ILE 219 N 0.70 1.31 -0.98 3.13 2.04 -0.66 -2.09 117.51 120.97 2q3r h ILE 219 Ca 0.10 -1.45 0.09 0.00 1.00 0.00 0.00 64.86 64.60 2q3r h ILE 219 Cb 0.69 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 2q3r h ILE 219 CO 0.05 0.46 0.63 0.58 0.00 0.00 0.00 178.15 179.86 2q3r h VAL 220 N 0.33 1.01 0.92 1.67 2.07 -1.02 -2.00 116.25 119.23 2q3r h VAL 220 Ca 0.03 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2q3r h VAL 220 Cb 0.84 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2q3r h VAL 220 CO 0.07 0.19 -0.46 -0.78 0.02 0.00 0.00 177.57 176.61 2q3r h ASP 221 N 1.05 -1.09 -0.45 0.57 3.58 -0.89 -2.08 116.42 117.12 2q3r h ASP 221 Ca 0.45 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.98 2q3r h ASP 221 Cb 0.32 0.29 -0.04 0.00 1.72 0.00 0.00 39.33 41.62 2q3r h ASP 221 CO -0.20 -0.76 0.23 0.00 -2.88 0.00 0.00 179.24 175.62 2q3r h ALA 222 N -1.17 0.56 -0.14 -0.78 0.00 -1.14 -1.92 119.26 114.67 2q3r h ALA 222 Ca -0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2q3r h ALA 222 Cb 0.97 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2q3r h ALA 222 CO 0.19 -0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.68 2q3r h VAL 223 N 0.45 1.08 -0.34 0.00 2.07 -1.42 -2.03 116.25 116.07 2q3r h VAL 223 Ca 0.19 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2q3r h VAL 223 Cb 0.09 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2q3r h VAL 223 CO -0.13 0.08 0.11 0.00 0.02 0.00 0.00 177.57 177.64 2q3r h ALA 224 N 0.99 0.44 0.00 1.67 0.00 -1.28 -0.70 119.26 120.38 2q3r h ALA 224 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2q3r h ALA 224 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2q3r h ALA 224 CO -0.01 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.94 2q3r n LYS 225 N -4.67 0.10 -0.06 0.00 5.02 -0.73 0.19 118.16 118.01 2q3r n LYS 225 Ca -0.01 0.50 -0.05 0.00 -2.02 0.00 0.00 58.31 56.72 2q3r n LYS 225 Cb 0.17 -1.77 -0.15 0.00 -0.02 0.00 0.00 35.03 33.26 2q3r n LYS 225 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2q3r n GLU 226 N -1.97 0.67 0.00 1.97 4.07 -0.46 -4.74 120.64 120.18 2q3r n GLU 226 Ca 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2q3r n GLU 226 Cb 0.09 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 2q3r n GLU 226 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 2q3r n ILE 227 N -2.73 0.00 0.00 6.31 -5.35 -0.40 -4.93 119.36 112.27 2q3r n ILE 227 Ca -0.23 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2q3r n ILE 227 Cb 1.00 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 2q3r n ILE 227 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q3r n GLY 228 N 0.57 3.00 0.37 3.28 0.00 0.50 -4.79 105.19 108.12 2q3r n GLY 228 Ca 0.00 -1.27 0.13 0.00 0.00 0.00 0.00 46.02 44.88 2q3r n GLY 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q3r h PRO 229 N 0.00 0.54 -0.19 1.61 0.13 -1.90 -1.36 132.00 130.84 2q3r h PRO 229 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2q3r h PRO 229 Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 2q3r h PRO 229 CO 0.00 0.36 0.00 -0.40 -0.23 0.00 0.00 178.00 177.73 2q3r n ASP 230 N -4.51 0.19 -1.55 1.44 3.85 -1.26 -1.63 116.55 113.08 2q3r n ASP 230 Ca 0.15 -1.65 0.02 0.00 -0.71 0.00 0.00 54.79 52.60 2q3r n ASP 230 Cb 0.47 -0.09 0.06 0.00 -1.35 0.00 0.00 41.12 40.21 2q3r n ASP 230 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2q3r n ARG 231 N -0.37 0.80 -3.69 0.11 1.74 -0.51 -4.70 116.66 110.05 2q3r n ARG 231 Ca 0.00 -2.63 -0.10 0.00 -0.77 0.00 0.00 57.85 54.35 2q3r n ARG 231 Cb 0.05 -0.71 -0.11 0.00 -1.02 0.00 0.00 32.46 30.67 2q3r n ARG 231 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2q3r s VAL 232 N -1.52 -0.16 0.29 1.55 1.01 -1.08 -1.50 120.40 119.00 2q3r s VAL 232 Ca 0.35 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.46 2q3r s VAL 232 Cb 0.38 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2q3r s VAL 232 CO -0.12 0.05 0.05 0.61 0.00 0.00 0.00 175.10 175.69 2q3r n GLY 233 N 4.51 3.65 3.29 4.51 0.00 -0.42 -1.97 105.19 118.77 2q3r n GLY 233 Ca -0.20 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.52 2q3r n GLY 233 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2q3r s ILE 234 N -2.38 0.01 0.06 -0.61 2.07 -1.06 -0.76 121.20 118.53 2q3r s ILE 234 Ca 0.07 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 2q3r s ILE 234 Cb 0.00 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 2q3r s ILE 234 CO 0.05 -0.04 0.18 -0.60 -1.91 0.00 0.00 174.94 172.62 2q3r s ARG 235 N -0.07 3.31 0.14 3.50 3.52 -0.59 -0.07 118.95 128.68 2q3r s ARG 235 Ca -0.02 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 2q3r s ARG 235 Cb -0.03 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 2q3r s ARG 235 CO 0.01 0.60 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.58 2q3r s LEU 236 N -2.46 2.21 -0.44 -0.88 1.43 0.24 -2.74 118.68 116.04 2q3r s LEU 236 Ca 0.33 -1.12 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 2q3r s LEU 236 Cb -0.13 -0.02 0.26 0.00 0.03 0.00 0.00 46.19 46.33 2q3r s LEU 236 CO 0.26 -0.55 0.78 -1.20 0.23 0.00 0.00 176.35 175.87 2q3r n SER 237 N -0.16 -1.54 0.14 2.29 7.64 -1.26 -2.31 113.62 118.42 2q3r n SER 237 Ca -0.08 -3.13 0.13 0.00 1.01 0.00 0.00 58.87 56.80 2q3r n SER 237 Cb 0.62 0.84 0.48 0.00 -1.01 0.00 0.00 64.21 65.15 2q3r n SER 237 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2q3r h PRO 238 N 3.81 0.00 0.00 1.43 0.13 -1.90 -3.19 132.00 132.28 2q3r h PRO 238 Ca -0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 2q3r h PRO 238 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2q3r h PRO 238 CO 0.36 0.00 -1.91 1.19 -0.23 0.00 0.00 178.00 177.42 2q3r n PHE 239 N -2.36 0.00 -1.97 1.56 3.01 -1.26 -4.39 117.46 112.05 2q3r n PHE 239 Ca 0.03 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.17 2q3r n PHE 239 Cb 0.30 -0.54 0.01 0.00 -0.01 0.00 0.00 39.48 39.23 2q3r n PHE 239 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2q3r s ALA 240 N -2.90 2.96 -0.06 4.37 0.00 -1.21 -4.63 121.76 120.30 2q3r s ALA 240 Ca -0.07 0.07 0.12 0.00 0.00 0.00 0.00 51.96 52.09 2q3r s ALA 240 Cb 0.09 -3.13 0.23 0.00 0.00 0.00 0.00 23.12 20.31 2q3r s ALA 240 CO 0.70 -0.70 1.11 -0.40 0.00 0.00 0.00 175.76 176.47 2q3r n ASP 241 N -2.44 1.01 -4.62 0.00 5.75 -1.26 -4.23 116.55 110.76 2q3r n ASP 241 Ca 0.07 -2.51 -0.48 0.00 -0.01 0.00 0.00 54.79 51.86 2q3r n ASP 241 Cb 0.54 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.26 2q3r n ASP 241 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2q3r n TYR 242 N -0.35 1.69 -3.44 2.11 9.36 -1.26 -1.76 117.16 123.51 2q3r n TYR 242 Ca 0.08 0.55 -0.19 0.00 3.32 0.00 0.00 57.90 61.66 2q3r n TYR 242 Cb 0.80 -2.37 0.06 0.00 -0.63 0.00 0.00 39.34 37.20 2q3r n TYR 242 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2q3r n MET 243 N 2.21 -3.51 -4.14 2.98 2.81 -1.26 -3.24 117.12 112.97 2q3r n MET 243 Ca 0.15 0.76 -0.44 0.00 -1.81 0.00 0.00 57.70 56.36 2q3r n MET 243 Cb 0.26 -5.46 -0.00 0.00 -0.71 0.00 0.00 33.22 27.30 2q3r n MET 243 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2q3r n GLU 244 N -3.76 -0.35 -0.52 0.03 1.02 -0.72 -4.87 120.64 111.47 2q3r n GLU 244 Ca -0.16 0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.10 2q3r n GLU 244 Cb 0.64 -2.61 0.19 0.00 -0.02 0.00 0.00 31.44 29.63 2q3r n GLU 244 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2q3r n SER 245 N -2.23 1.81 -4.76 1.62 3.41 -0.90 -4.78 113.62 107.79 2q3r n SER 245 Ca -0.15 -3.72 -0.32 0.00 -0.26 0.00 0.00 58.87 54.41 2q3r n SER 245 Cb 0.58 -0.51 0.08 0.00 -0.26 0.00 0.00 64.21 64.10 2q3r n SER 245 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2q3r s GLY 246 N -3.15 1.98 -0.08 5.00 0.00 -1.26 -4.54 107.32 105.27 2q3r s GLY 246 Ca 0.37 0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.63 2q3r s GLY 246 CO -0.05 0.85 -0.23 -0.35 0.00 0.00 0.00 173.10 173.32 2q3r s ASP 247 N -2.80 2.97 0.56 1.64 -1.08 -1.26 -3.79 116.67 112.91 2q3r s ASP 247 Ca 0.66 -0.52 0.36 0.00 -0.52 0.00 0.00 52.55 52.53 2q3r s ASP 247 Cb -0.20 -1.12 1.68 0.00 -1.46 0.00 0.00 42.92 41.81 2q3r s ASP 247 CO 0.48 0.19 2.08 0.71 0.52 0.00 0.00 175.17 179.15 2q3r h THR 248 N 5.45 0.00 -1.95 1.71 1.35 -1.95 -3.26 112.91 114.26 2q3r h THR 248 Ca -0.25 -0.32 -0.53 0.00 -0.55 0.00 0.00 66.41 64.76 2q3r h THR 248 Cb 1.21 1.29 -0.39 0.00 -1.73 0.00 0.00 68.15 68.53 2q3r h THR 248 CO 0.47 0.00 -1.12 -3.20 -0.25 0.00 0.00 175.52 171.43 2q3r n ASN 249 N -3.01 0.25 -0.25 5.36 2.85 -1.26 -4.99 115.26 114.21 2q3r n ASN 249 Ca -0.01 -2.78 0.03 0.00 -0.11 0.00 0.00 54.58 51.71 2q3r n ASN 249 Cb 0.22 -0.57 0.17 0.00 1.24 0.00 0.00 39.78 40.83 2q3r n ASN 249 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2q3r h PRO 250 N 3.75 0.53 -0.65 1.20 0.13 -1.76 -2.30 132.00 132.90 2q3r h PRO 250 Ca 0.07 -0.03 0.09 0.00 -0.87 0.00 0.00 66.00 65.26 2q3r h PRO 250 Cb 0.91 -0.12 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 2q3r h PRO 250 CO 0.47 0.35 0.29 0.78 -0.23 0.00 0.00 178.00 179.65 2q3r h GLY 251 N 0.54 0.95 0.89 1.56 0.00 -1.93 0.97 103.07 106.04 2q3r h GLY 251 Ca 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2q3r h GLY 251 CO -0.33 0.02 0.08 0.00 0.00 0.00 0.00 176.54 176.32 2q3r h ALA 252 N 1.42 0.27 0.04 3.60 0.00 -1.84 0.12 119.26 122.87 2q3r h ALA 252 Ca 0.32 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2q3r h ALA 252 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2q3r h ALA 252 CO -0.28 -0.13 -0.11 1.25 0.00 0.00 0.00 179.25 179.98 2q3r h LEU 253 N 0.18 -0.31 -0.27 0.00 5.85 -1.18 0.13 115.31 119.72 2q3r h LEU 253 Ca 0.07 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2q3r h LEU 253 Cb 0.18 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2q3r h LEU 253 CO -0.01 -0.16 0.16 1.23 -0.34 0.00 0.00 178.44 179.32 2q3r h GLY 254 N -0.21 0.39 0.96 3.75 0.00 -0.62 -1.59 103.07 105.75 2q3r h GLY 254 Ca 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 2q3r h GLY 254 CO -0.08 0.16 -0.03 -2.00 0.00 0.00 0.00 176.54 174.59 2q3r h LEU 255 N 0.34 0.72 -0.47 3.11 5.85 -0.64 0.39 115.31 124.60 2q3r h LEU 255 Ca 0.10 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2q3r h LEU 255 Cb 0.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2q3r h LEU 255 CO -0.02 0.87 0.29 0.22 -0.34 0.00 0.00 178.44 179.46 2q3r h TYR 256 N 0.55 0.54 -0.15 1.25 3.20 -0.61 -0.12 116.97 121.62 2q3r h TYR 256 Ca 0.11 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 2q3r h TYR 256 Cb 0.53 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2q3r h TYR 256 CO 0.04 0.32 -0.36 0.52 -1.64 0.00 0.00 178.16 177.03 2q3r h MET 257 N 0.58 0.51 0.00 1.82 2.86 -1.20 0.18 114.93 119.67 2q3r h MET 257 Ca 0.19 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2q3r h MET 257 Cb -0.00 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2q3r h MET 257 CO -0.08 0.96 0.00 0.00 1.06 0.00 0.00 176.91 178.86 2q3r n ALA 258 N -2.51 1.47 -0.11 6.32 0.00 0.13 -2.16 120.51 123.65 2q3r n ALA 258 Ca -0.07 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 2q3r n ALA 258 Cb 0.51 -1.17 -0.12 0.00 0.00 0.00 0.00 19.45 18.68 2q3r n ALA 258 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2q3r n GLU 259 N -1.51 0.65 0.00 0.00 4.07 -0.08 -3.52 120.64 120.26 2q3r n GLU 259 Ca 0.02 0.19 0.09 0.00 -0.06 0.00 0.00 57.16 57.40 2q3r n GLU 259 Cb 0.12 -1.55 0.49 0.00 -0.06 0.00 0.00 31.44 30.44 2q3r n GLU 259 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2q3r n SER 260 N -3.45 0.00 0.07 4.31 7.64 0.04 -2.86 113.62 119.36 2q3r n SER 260 Ca -0.45 -0.24 0.04 0.00 1.01 0.00 0.00 58.87 59.23 2q3r n SER 260 Cb 0.98 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.98 2q3r n SER 260 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2q3r h LEU 261 N 0.00 0.00 -0.19 -3.43 3.38 -1.63 -3.36 115.31 110.08 2q3r h LEU 261 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q3r h LEU 261 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2q3r h LEU 261 CO 0.00 0.37 0.13 0.78 0.09 0.00 0.00 178.44 179.80 2q3r h ASN 262 N 0.00 0.22 -0.74 -0.43 2.35 -1.76 -2.41 115.58 112.81 2q3r h ASN 262 Ca -0.09 -0.01 0.17 0.00 -0.55 0.00 0.00 56.30 55.82 2q3r h ASN 262 Cb 1.36 -0.05 -0.13 0.00 0.05 0.00 0.00 38.32 39.55 2q3r h ASN 262 CO 0.03 0.16 0.00 0.50 -1.65 0.00 0.00 177.43 176.47 2q3r h LYS 263 N 0.26 0.10 0.00 0.81 3.64 -1.75 0.19 116.57 119.81 2q3r h LYS 263 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2q3r h LYS 263 Cb -0.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2q3r h LYS 263 CO -0.01 0.07 0.00 1.88 -2.27 0.00 0.00 179.45 179.11 2q3r h TYR 264 N 0.10 0.00 -5.85 1.91 -1.99 -1.60 -3.47 116.97 106.08 2q3r h TYR 264 Ca 0.40 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.69 2q3r h TYR 264 Cb 0.70 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.35 2q3r h TYR 264 CO -0.42 0.00 -0.67 0.41 -0.00 0.00 0.00 178.16 177.48 2q3r n GLY 265 N -0.05 -0.49 3.90 3.88 0.00 0.65 -4.95 105.19 108.13 2q3r n GLY 265 Ca 0.01 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2q3r n GLY 265 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2q3r s ILE 266 N -3.12 2.38 0.09 -0.61 -4.36 -1.26 -4.50 121.20 109.82 2q3r s ILE 266 Ca 0.54 0.12 -0.32 0.00 -0.26 0.00 0.00 60.65 60.72 2q3r s ILE 266 Cb -0.28 -3.12 -0.14 0.00 1.25 0.00 0.00 42.46 40.17 2q3r s ILE 266 CO 0.66 -0.16 1.60 0.25 0.24 0.00 0.00 174.94 177.53 2q3r h LEU 267 N -0.95 -1.05 -8.01 0.37 5.85 -0.65 -3.47 115.31 107.40 2q3r h LEU 267 Ca -0.46 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 2q3r h LEU 267 Cb 1.31 0.35 -0.11 0.00 0.37 0.00 0.00 40.66 42.58 2q3r h LEU 267 CO 0.65 -0.54 -0.17 -0.72 -0.34 0.00 0.00 178.44 177.32 2q3r s TYR 268 N -5.97 0.25 -0.16 1.25 -0.85 -1.25 -3.59 117.35 107.03 2q3r s TYR 268 Ca -0.17 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 55.78 2q3r s TYR 268 Cb 0.06 0.13 0.03 0.00 0.38 0.00 0.00 41.96 42.55 2q3r s TYR 268 CO 0.63 -0.84 -0.14 0.00 -1.52 0.00 0.00 175.55 173.68 2q3r s HIS 270 N 1.46 3.02 0.01 0.00 2.46 0.90 -1.42 115.29 121.72 2q3r s HIS 270 Ca 0.04 -0.60 0.04 0.00 0.47 0.00 0.00 55.06 55.01 2q3r s HIS 270 Cb -0.13 -2.12 -0.01 0.00 -0.13 0.00 0.00 32.58 30.19 2q3r s HIS 270 CO -0.10 -0.36 -0.12 0.08 -2.47 0.00 0.00 174.74 171.77 2q3r s VAL 271 N 1.26 0.95 -0.16 0.89 1.01 0.13 0.83 120.40 125.31 2q3r s VAL 271 Ca 0.04 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 2q3r s VAL 271 Cb -0.15 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2q3r s VAL 271 CO 0.01 0.13 0.34 -0.63 0.00 0.00 0.00 175.10 174.94 2q3r s ILE 272 N -0.54 5.27 0.59 2.22 1.01 -0.98 -0.55 121.20 128.22 2q3r s ILE 272 Ca 0.03 0.63 -0.20 0.00 0.00 0.00 0.00 60.65 61.11 2q3r s ILE 272 Cb -0.06 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2q3r s ILE 272 CO 0.00 0.35 1.32 -0.70 0.00 0.00 0.00 174.94 175.92 2q3r s GLU 273 N 0.67 2.91 0.66 2.79 2.56 0.14 -4.77 118.70 123.66 2q3r s GLU 273 Ca 0.18 2.14 -0.17 0.00 0.00 0.00 0.00 54.97 57.12 2q3r s GLU 273 Cb -0.14 -2.08 -0.05 0.00 2.00 0.00 0.00 34.13 33.87 2q3r s GLU 273 CO 0.06 -1.34 0.66 0.00 -0.56 0.00 0.00 175.26 174.08 2q3r n ALA 274 N -1.40 -0.94 -1.12 6.30 0.00 -1.26 -4.53 120.51 117.56 2q3r n ALA 274 Ca 0.13 -0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2q3r n ALA 274 Cb 0.47 -1.92 -0.14 0.00 0.00 0.00 0.00 19.45 17.85 2q3r n ALA 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2q3r n ARG 275 N -0.73 0.00 0.00 0.00 1.74 -1.26 -5.05 116.66 111.35 2q3r n ARG 275 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2q3r n ARG 275 Cb 0.49 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 2q3r n ARG 275 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q3r n MET 276 N 5.36 0.00 -0.94 5.56 0.00 -1.26 -5.18 117.12 120.65 2q3r n MET 276 Ca 0.50 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.89 2q3r n MET 276 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.27 2q3r n MET 276 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2q3r n HIS 287 N 0.00 -1.42 0.00 3.17 8.25 -1.26 -4.38 115.22 119.58 2q3r n HIS 287 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2q3r n HIS 287 Cb 0.00 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 29.82 2q3r n HIS 287 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2q3r n THR 288 N -0.67 0.00 0.02 1.59 5.66 -1.26 -5.03 114.28 114.59 2q3r n THR 288 Ca 0.08 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.99 2q3r n THR 288 Cb 0.28 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.93 2q3r n THR 288 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2q3r h LEU 289 N 0.00 0.07 -0.70 1.09 4.07 -2.00 -3.39 115.31 114.45 2q3r h LEU 289 Ca 0.00 -0.10 0.13 0.00 0.08 0.00 0.00 57.88 57.99 2q3r h LEU 289 Cb 0.00 -0.02 -0.13 0.00 1.08 0.00 0.00 40.66 41.59 2q3r h LEU 289 CO 0.00 1.09 -0.23 0.24 -1.08 0.00 0.00 178.44 178.46 2q3r h MET 290 N 0.01 -0.04 -1.00 1.13 2.86 -1.96 0.59 114.93 116.52 2q3r h MET 290 Ca -0.18 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.65 2q3r h MET 290 Cb 1.92 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 33.49 2q3r h MET 290 CO 0.11 -0.03 0.61 -1.35 1.06 0.00 0.00 176.91 177.31 2q3r h PRO 291 N -0.05 0.76 0.00 -0.22 0.11 -2.00 0.23 132.00 130.84 2q3r h PRO 291 Ca 0.32 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.17 2q3r h PRO 291 Cb 0.54 -0.17 0.02 0.00 0.11 0.00 0.00 31.00 31.49 2q3r h PRO 291 CO -0.74 0.51 -0.83 0.52 -0.21 0.00 0.00 178.00 177.25 2q3r h MET 292 N 0.79 0.56 -0.16 1.05 2.86 -0.89 -0.83 114.93 118.30 2q3r h MET 292 Ca 0.57 -0.60 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2q3r h MET 292 Cb 0.85 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 2q3r h MET 292 CO -0.37 1.22 0.08 -0.09 1.06 0.00 0.00 176.91 178.81 2q3r h ARG 293 N 0.15 0.22 0.03 1.72 9.65 0.15 -0.29 114.38 126.00 2q3r h ARG 293 Ca -0.10 -0.02 -0.33 0.00 -1.10 0.00 0.00 59.98 58.43 2q3r h ARG 293 Cb 1.51 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 30.00 2q3r h ARG 293 CO 0.16 0.17 -1.93 1.63 2.80 0.00 0.00 179.97 182.81 2q3r n LYS 294 N -4.48 0.67 -0.09 0.20 5.02 -0.08 -4.22 118.16 115.17 2q3r n LYS 294 Ca -0.01 0.23 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 2q3r n LYS 294 Cb 0.10 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.39 2q3r n LYS 294 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q3r h ALA 295 N 0.75 0.41 -2.41 7.82 0.00 -0.63 -3.41 119.26 121.79 2q3r h ALA 295 Ca -0.38 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 2q3r h ALA 295 Cb 2.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2q3r h ALA 295 CO 0.06 -0.14 0.46 0.12 0.00 0.00 0.00 179.25 179.75 2q3r s PHE 296 N -6.17 3.56 0.11 0.00 5.36 -0.17 -4.81 117.98 115.87 2q3r s PHE 296 Ca -0.13 1.56 0.01 0.00 -0.96 0.00 0.00 56.93 57.41 2q3r s PHE 296 Cb 0.10 -3.22 -0.19 0.00 -0.34 0.00 0.00 43.02 39.36 2q3r s PHE 296 CO 0.71 -0.44 1.25 0.87 -1.46 0.00 0.00 175.22 176.15 2q3r h LYS 297 N 6.87 0.15 0.00 10.12 1.79 -1.88 -3.47 116.57 130.15 2q3r h LYS 297 Ca -0.40 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 2q3r h LYS 297 Cb 1.21 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2q3r h LYS 297 CO 0.78 1.08 0.00 0.41 -1.08 0.00 0.00 179.45 180.64 2q3r n GLY 298 N 1.32 -0.10 3.67 3.86 0.00 -1.26 -5.01 105.19 107.66 2q3r n GLY 298 Ca -0.04 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2q3r n GLY 298 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q3r n THR 299 N -1.20 2.55 -4.86 2.61 -1.04 -1.24 -4.91 114.28 106.19 2q3r n THR 299 Ca 0.00 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.25 2q3r n THR 299 Cb 0.00 -1.41 -0.16 0.00 -1.82 0.00 0.00 70.33 66.94 2q3r n THR 299 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2q3r s PHE 300 N -1.22 1.74 -0.16 -1.42 5.36 -1.26 -2.77 117.98 118.24 2q3r s PHE 300 Ca 0.62 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 56.12 2q3r s PHE 300 Cb -0.53 -1.16 0.02 0.00 -0.34 0.00 0.00 43.02 41.01 2q3r s PHE 300 CO 0.57 -0.15 -0.17 0.42 -1.46 0.00 0.00 175.22 174.43 2q3r s ILE 301 N -0.03 1.83 0.07 3.12 1.01 -0.51 -1.67 121.20 125.03 2q3r s ILE 301 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2q3r s ILE 301 Cb -0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2q3r s ILE 301 CO 0.02 0.50 0.06 -0.44 0.00 0.00 0.00 174.94 175.08 2q3r s SER 302 N 1.36 5.43 0.10 3.58 0.01 -0.53 0.19 113.70 123.85 2q3r s SER 302 Ca 0.05 -0.03 -0.11 0.00 1.31 0.00 0.00 55.95 57.16 2q3r s SER 302 Cb -0.13 -1.44 0.01 0.00 0.21 0.00 0.00 66.02 64.68 2q3r s SER 302 CO -0.12 0.18 0.27 0.00 0.41 0.00 0.00 173.24 173.99 2q3r s ALA 303 N -1.35 -0.49 0.00 1.44 0.00 0.29 -0.59 121.76 121.05 2q3r s ALA 303 Ca 0.28 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2q3r s ALA 303 Cb -0.12 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2q3r s ALA 303 CO 0.20 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2q3r n GLY 304 N -0.13 2.00 2.14 0.00 0.00 -1.26 0.28 105.19 108.22 2q3r n GLY 304 Ca -0.15 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 2q3r n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q3r n GLY 305 N 0.71 0.68 3.77 -0.02 0.00 -1.26 -4.78 105.19 104.29 2q3r n GLY 305 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2q3r n GLY 305 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q3r s PHE 306 N -2.28 3.33 0.38 1.61 0.40 -1.26 -5.05 117.98 115.11 2q3r s PHE 306 Ca 0.00 1.64 0.08 0.00 -0.60 0.00 0.00 56.93 58.04 2q3r s PHE 306 Cb 0.00 -3.27 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 2q3r s PHE 306 CO 0.00 -0.80 0.25 0.95 0.70 0.00 0.00 175.22 176.32 2q3r s THR 307 N -1.39 2.88 0.19 0.64 -4.23 -1.26 -4.96 115.64 107.52 2q3r s THR 307 Ca 0.52 -1.52 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 2q3r s THR 307 Cb -0.29 -3.03 0.11 0.00 1.34 0.00 0.00 72.50 70.63 2q3r s THR 307 CO 0.36 -0.09 1.77 -0.09 -0.54 0.00 0.00 174.62 176.03 2q3r h ARG 308 N 1.30 0.47 0.12 3.99 2.43 -1.99 -0.37 114.38 120.33 2q3r h ARG 308 Ca -0.43 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2q3r h ARG 308 Cb 1.26 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2q3r h ARG 308 CO 0.62 0.31 -0.06 0.93 -1.51 0.00 0.00 179.97 180.25 2q3r h GLU 309 N 0.48 -0.16 -0.77 0.20 3.07 -1.99 0.54 114.58 115.95 2q3r h GLU 309 Ca 0.26 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.21 2q3r h GLU 309 Cb 0.23 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.13 2q3r h GLU 309 CO -0.22 -0.10 0.50 -0.44 -1.40 0.00 0.00 179.01 177.35 2q3r h ASP 310 N -0.16 0.70 -0.09 1.42 3.32 -1.86 -1.97 116.42 117.76 2q3r h ASP 310 Ca -0.01 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2q3r h ASP 310 Cb 0.13 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2q3r h ASP 310 CO 0.02 0.44 -0.05 1.23 -1.72 0.00 0.00 179.24 179.17 2q3r h GLY 311 N 0.79 0.22 0.50 2.75 0.00 -0.47 -0.61 103.07 106.24 2q3r h GLY 311 Ca 0.34 -0.20 0.09 0.00 0.00 0.00 0.00 47.33 47.56 2q3r h GLY 311 CO -0.12 0.18 0.36 3.43 0.00 0.00 0.00 176.54 180.38 2q3r h ASN 312 N -0.17 0.47 -0.21 0.19 2.35 -0.53 -1.25 115.58 116.44 2q3r h ASN 312 Ca 0.02 0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2q3r h ASN 312 Cb 0.50 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2q3r h ASN 312 CO 0.01 0.27 -0.16 -0.08 -1.65 0.00 0.00 177.43 175.82 2q3r h GLU 313 N 0.61 0.49 -0.94 0.81 4.81 -1.31 0.11 114.58 119.16 2q3r h GLU 313 Ca 0.34 -0.24 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2q3r h GLU 313 Cb 0.35 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 2q3r h GLU 313 CO -0.26 0.80 0.59 0.00 -0.73 0.00 0.00 179.01 179.42 2q3r h ALA 314 N 0.67 1.34 0.09 2.92 0.00 -0.84 0.46 119.26 123.90 2q3r h ALA 314 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2q3r h ALA 314 Cb 0.69 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2q3r h ALA 314 CO 0.04 0.30 -0.04 0.28 0.00 0.00 0.00 179.25 179.83 2q3r h VAL 315 N 1.02 1.12 0.00 0.00 2.07 -1.12 0.32 116.25 119.66 2q3r h VAL 315 Ca 0.43 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 2q3r h VAL 315 Cb 0.27 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2q3r h VAL 315 CO -0.21 0.29 -0.10 0.77 0.02 0.00 0.00 177.57 178.35 2q3r h SER 316 N -0.78 0.00 -0.09 0.57 4.64 -0.49 -0.92 113.55 116.49 2q3r h SER 316 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2q3r h SER 316 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2q3r h SER 316 CO 0.02 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 2q3r n LYS 317 N -3.75 2.01 -1.29 4.77 4.76 0.16 -4.96 118.16 119.86 2q3r n LYS 317 Ca -0.02 -1.47 -0.10 0.00 -2.87 0.00 0.00 58.31 53.84 2q3r n LYS 317 Cb 0.20 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 31.88 2q3r n LYS 317 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q3r n GLY 318 N 1.27 1.14 0.04 0.72 0.00 -0.35 -4.89 105.19 103.12 2q3r n GLY 318 Ca 0.17 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.87 2q3r n GLY 318 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q3r n ARG 319 N -2.44 0.09 -3.64 1.61 5.12 0.11 -4.86 116.66 112.65 2q3r n ARG 319 Ca -0.10 0.16 -0.06 0.00 -1.93 0.00 0.00 57.85 55.92 2q3r n ARG 319 Cb 0.36 -1.63 -0.02 0.00 -1.16 0.00 0.00 32.46 30.02 2q3r n ARG 319 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2q3r s THR 320 N -3.07 0.00 -0.19 0.55 -1.32 -1.11 -4.86 115.64 105.64 2q3r s THR 320 Ca 0.10 -0.39 0.04 0.00 -1.21 0.00 0.00 61.69 60.23 2q3r s THR 320 Cb 0.14 -1.56 -0.14 0.00 -1.51 0.00 0.00 72.50 69.44 2q3r s THR 320 CO 0.48 0.00 -0.13 0.47 -2.21 0.00 0.00 174.62 173.22 2q3r n ASP 321 N -0.38 2.28 -4.16 8.08 8.00 -0.87 -4.27 116.55 125.23 2q3r n ASP 321 Ca -0.08 -0.09 -0.18 0.00 0.71 0.00 0.00 54.79 55.16 2q3r n ASP 321 Cb 0.61 -0.10 -0.12 0.00 -0.02 0.00 0.00 41.12 41.50 2q3r n ASP 321 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2q3r s LEU 322 N -5.95 2.28 -0.09 0.64 1.43 -0.67 -4.82 118.68 111.51 2q3r s LEU 322 Ca -0.23 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 2q3r s LEU 322 Cb 0.06 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.82 2q3r s LEU 322 CO 0.48 -0.10 -0.22 -0.69 0.23 0.00 0.00 176.35 176.05 2q3r s VAL 323 N -1.36 1.90 -0.23 -1.59 1.01 -1.05 -1.45 120.40 117.63 2q3r s VAL 323 Ca -0.02 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 2q3r s VAL 323 Cb -0.10 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2q3r s VAL 323 CO 0.02 0.52 0.49 0.00 0.00 0.00 0.00 175.10 176.13 2q3r s ALA 324 N 0.37 3.57 -0.22 5.51 0.00 0.24 -2.21 121.76 129.02 2q3r s ALA 324 Ca -0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2q3r s ALA 324 Cb -0.17 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.14 2q3r s ALA 324 CO 0.08 -0.58 -0.09 0.71 0.00 0.00 0.00 175.76 175.88 2q3r s TYR 325 N 1.94 2.95 0.00 0.00 2.02 -0.71 -4.14 117.35 119.40 2q3r s TYR 325 Ca 0.21 -1.31 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 2q3r s TYR 325 Cb -0.15 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 2q3r s TYR 325 CO 0.09 -0.67 0.00 0.41 -1.57 0.00 0.00 175.55 173.81 2q3r n GLY 326 N 4.71 -0.34 0.35 0.71 0.00 -1.26 -1.95 105.19 107.41 2q3r n GLY 326 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2q3r n GLY 326 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q3r h ARG 327 N 0.00 1.09 -0.01 1.61 3.08 -1.95 0.49 114.38 118.68 2q3r h ARG 327 Ca 0.00 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 2q3r h ARG 327 Cb 0.00 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2q3r h ARG 327 CO 0.00 0.72 -0.71 -1.49 -1.07 0.00 0.00 179.97 177.42 2q3r h TRP 328 N 1.12 0.11 0.04 3.04 -0.00 -1.95 -2.07 115.95 116.25 2q3r h TRP 328 Ca 0.40 -0.05 -0.22 0.00 -0.00 0.00 0.00 58.89 59.02 2q3r h TRP 328 Cb 0.13 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.26 2q3r h TRP 328 CO -0.01 0.76 -1.02 0.35 -0.00 0.00 0.00 178.44 178.51 2q3r h PHE 329 N 0.05 0.30 -0.16 0.49 3.04 -1.58 0.18 116.94 119.26 2q3r h PHE 329 Ca -0.01 -0.19 0.01 0.00 3.98 0.00 0.00 57.97 61.75 2q3r h PHE 329 Cb 1.25 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.73 2q3r h PHE 329 CO 0.01 1.08 0.09 1.25 -2.02 0.00 0.00 178.31 178.72 2q3r h LEU 330 N 0.08 0.15 0.00 0.59 6.46 0.08 -2.96 115.31 119.70 2q3r h LEU 330 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2q3r h LEU 330 Cb 1.71 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 2q3r h LEU 330 CO 0.16 0.11 -0.11 0.00 -0.62 0.00 0.00 178.44 177.97 2q3r h ALA 331 N 1.07 0.94 -3.31 1.25 0.00 -1.34 -3.43 119.26 114.45 2q3r h ALA 331 Ca 0.06 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.35 2q3r h ALA 331 Cb -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.38 2q3r h ALA 331 CO -0.03 0.00 -0.73 -0.80 0.00 0.00 0.00 179.25 177.70 2q3r s ASN 332 N -5.91 4.21 0.48 0.00 0.01 0.61 -4.64 114.94 109.70 2q3r s ASN 332 Ca 0.07 -2.18 0.20 0.00 -0.71 0.00 0.00 52.86 50.24 2q3r s ASN 332 Cb 0.06 -1.23 1.22 0.00 0.41 0.00 0.00 41.25 41.71 2q3r s ASN 332 CO 0.67 -0.35 1.95 1.55 -1.51 0.00 0.00 177.10 179.42 2q3r h PRO 333 N 7.45 0.21 -1.46 -0.60 0.13 -1.81 -1.76 132.00 134.17 2q3r h PRO 333 Ca -0.07 -0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 64.35 2q3r h PRO 333 Cb 0.98 -0.05 -0.31 0.00 0.13 0.00 0.00 31.00 31.75 2q3r h PRO 333 CO 0.51 0.14 0.58 -0.40 -0.23 0.00 0.00 178.00 178.61 2q3r n ASP 334 N -4.43 6.98 -0.05 1.44 3.85 -1.26 -4.11 116.55 118.98 2q3r n ASP 334 Ca 0.13 -3.80 -0.08 0.00 -0.71 0.00 0.00 54.79 50.33 2q3r n ASP 334 Cb 0.58 -0.89 -0.02 0.00 -1.35 0.00 0.00 41.12 39.44 2q3r n ASP 334 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2q3r h LEU 335 N 2.51 -0.21 -0.40 -2.12 5.85 -1.64 -1.31 115.31 117.98 2q3r h LEU 335 Ca 0.53 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.40 2q3r h LEU 335 Cb 0.57 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 2q3r h LEU 335 CO 1.35 -0.07 -0.12 -0.65 -0.34 0.00 0.00 178.44 178.61 2q3r h PRO 336 N -0.01 -0.03 -0.41 5.25 0.11 -1.88 0.10 132.00 135.15 2q3r h PRO 336 Ca 0.10 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.23 2q3r h PRO 336 Cb 0.16 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 2q3r h PRO 336 CO -0.22 -0.02 0.25 -0.22 -0.21 0.00 0.00 178.00 177.58 2q3r h LYS 337 N -0.03 0.49 -0.67 1.05 1.63 -1.90 0.12 116.57 117.26 2q3r h LYS 337 Ca 0.20 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2q3r h LYS 337 Cb 0.33 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 2q3r h LYS 337 CO -0.43 0.32 0.45 0.00 -3.45 0.00 0.00 179.45 176.34 2q3r h ARG 338 N 0.50 0.86 -0.24 1.90 3.08 -0.38 0.12 114.38 120.22 2q3r h ARG 338 Ca 0.16 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 2q3r h ARG 338 Cb -0.01 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2q3r h ARG 338 CO -0.06 0.57 -0.51 0.74 -1.07 0.00 0.00 179.97 179.63 2q3r h PHE 339 N 0.88 0.98 -0.31 3.04 0.04 0.15 1.08 116.94 122.80 2q3r h PHE 339 Ca 0.25 -0.36 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 2q3r h PHE 339 Cb -0.06 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 2q3r h PHE 339 CO -0.00 1.17 0.14 0.37 -0.60 0.00 0.00 178.31 179.39 2q3r h GLN 340 N 0.52 0.45 0.00 1.51 4.15 -0.07 -1.60 115.11 120.08 2q3r h GLN 340 Ca 0.01 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2q3r h GLN 340 Cb 1.12 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2q3r h GLN 340 CO 0.11 0.43 0.00 0.28 -1.93 0.00 0.00 178.83 177.73 2q3r n VAL 341 N -4.76 0.24 -3.88 2.39 0.31 0.36 -4.91 118.33 108.08 2q3r n VAL 341 Ca -0.02 -0.11 -0.29 0.00 -0.01 0.00 0.00 64.34 63.91 2q3r n VAL 341 Cb 0.11 -0.54 0.03 0.00 -0.91 0.00 0.00 33.84 32.54 2q3r n VAL 341 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2q3r n ASP 342 N -1.80 -4.68 -4.91 4.52 -0.08 0.32 -4.98 116.55 104.94 2q3r n ASP 342 Ca 0.06 -0.77 -0.28 0.00 -1.51 0.00 0.00 54.79 52.30 2q3r n ASP 342 Cb 0.38 -3.98 0.03 0.00 2.34 0.00 0.00 41.12 39.89 2q3r n ASP 342 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2q3r s ALA 343 N -3.33 3.18 1.27 -1.67 0.00 0.17 -4.98 121.76 116.41 2q3r s ALA 343 Ca 0.62 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 2q3r s ALA 343 Cb -0.31 -2.74 0.31 0.00 0.00 0.00 0.00 23.12 20.39 2q3r s ALA 343 CO 0.82 -0.87 1.02 -1.25 0.00 0.00 0.00 175.76 175.48 2q3r s PRO 344 N -5.09 -1.78 0.10 0.00 0.04 -1.26 -4.72 135.00 122.29 2q3r s PRO 344 Ca 0.55 0.22 0.07 0.00 0.04 0.00 0.00 61.00 61.88 2q3r s PRO 344 Cb -0.11 -1.50 -0.03 0.00 0.04 0.00 0.00 34.50 32.89 2q3r s PRO 344 CO 0.47 -4.14 -0.18 -0.51 0.04 0.00 0.00 177.00 172.69 2q3r s LEU 345 N -7.34 2.32 0.56 -3.56 1.43 -1.26 -4.98 118.68 105.86 2q3r s LEU 345 Ca 0.69 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 2q3r s LEU 345 Cb -0.15 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.30 2q3r s LEU 345 CO 0.59 -0.02 1.16 0.20 0.23 0.00 0.00 176.35 178.50 2q3r s ASN 346 N -2.01 5.53 0.28 2.29 0.01 -1.26 -5.00 114.94 114.78 2q3r s ASN 346 Ca 0.05 2.25 -0.25 0.00 -0.71 0.00 0.00 52.86 54.20 2q3r s ASN 346 Cb -0.09 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.89 2q3r s ASN 346 CO 0.04 -1.36 0.88 -0.54 -1.51 0.00 0.00 177.10 174.62 2q3r s LYS 347 N -3.31 4.53 0.15 -0.60 1.02 -1.26 -4.80 119.74 115.46 2q3r s LYS 347 Ca 0.74 1.22 -0.21 0.00 0.02 0.00 0.00 55.97 57.75 2q3r s LYS 347 Cb -0.26 -2.88 -0.07 0.00 -0.52 0.00 0.00 37.83 34.10 2q3r s LYS 347 CO 0.29 0.34 0.67 1.52 -0.92 0.00 0.00 175.35 177.25 2q3r s TYR 348 N -1.54 3.77 -0.73 3.18 -0.85 -1.26 -4.93 117.35 115.00 2q3r s TYR 348 Ca 0.47 1.38 -0.10 0.00 -0.52 0.00 0.00 57.07 58.30 2q3r s TYR 348 Cb -0.19 -2.59 0.19 0.00 0.38 0.00 0.00 41.96 39.75 2q3r s TYR 348 CO 0.24 0.48 0.63 0.34 -1.52 0.00 0.00 175.55 175.72 2q3r s ASP 349 N -1.33 6.20 0.25 -0.18 2.15 -1.26 -4.96 116.67 117.54 2q3r s ASP 349 Ca 0.36 -2.67 -0.03 0.00 0.43 0.00 0.00 52.55 50.64 2q3r s ASP 349 Cb -0.19 -2.09 0.49 0.00 -0.30 0.00 0.00 42.92 40.83 2q3r s ASP 349 CO 0.22 -0.53 1.74 0.03 -0.17 0.00 0.00 175.17 176.45 2q3r h ARG 350 N 7.62 0.47 0.00 4.34 3.08 -2.00 -1.23 114.38 126.66 2q3r h ARG 350 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2q3r h ARG 350 Cb 1.02 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2q3r h ARG 350 CO 0.76 0.31 0.40 -1.35 -1.07 0.00 0.00 179.97 179.02 2q3r h PRO 351 N 0.48 0.00 -0.15 0.04 0.11 -2.02 0.16 132.00 130.62 2q3r h PRO 351 Ca 0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.51 2q3r h PRO 351 Cb 0.65 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 2q3r h PRO 351 CO -0.40 0.00 -0.08 0.25 -0.21 0.00 0.00 178.00 177.56 2q3r n THR 352 N -2.77 2.18 0.06 -1.15 -2.24 -0.47 -4.54 114.28 105.34 2q3r n THR 352 Ca -0.02 -2.36 -0.13 0.00 -2.27 0.00 0.00 64.05 59.27 2q3r n THR 352 Cb 0.44 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 2q3r n THR 352 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2q3r h PHE 353 N 0.88 -0.17 -0.38 4.78 -1.00 -0.67 -3.36 116.94 117.02 2q3r h PHE 353 Ca 0.04 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 2q3r h PHE 353 Cb 1.26 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.88 2q3r h PHE 353 CO 0.44 0.22 0.00 0.66 -1.61 0.00 0.00 178.31 178.02 2q3r n TYR 354 N -4.98 0.74 -1.37 -0.55 4.01 -1.26 -4.67 117.16 109.07 2q3r n TYR 354 Ca -0.09 -0.61 -0.30 0.00 -0.16 0.00 0.00 57.90 56.74 2q3r n TYR 354 Cb 0.24 -0.13 0.11 0.00 -0.31 0.00 0.00 39.34 39.25 2q3r n TYR 354 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2q3r s THR 355 N -1.58 3.01 -1.45 -0.72 -4.23 -1.26 -4.78 115.64 104.62 2q3r s THR 355 Ca 0.33 0.33 0.20 0.00 -1.18 0.00 0.00 61.69 61.36 2q3r s THR 355 Cb 0.21 -2.93 0.71 0.00 1.34 0.00 0.00 72.50 71.83 2q3r s THR 355 CO 0.16 -0.43 1.61 -1.54 -0.54 0.00 0.00 174.62 173.88 2q3r n SER 356 N -3.61 4.52 -4.57 3.99 3.41 -1.26 -4.82 113.62 111.28 2q3r n SER 356 Ca 0.07 -2.29 -0.42 0.00 -0.26 0.00 0.00 58.87 55.97 2q3r n SER 356 Cb 0.55 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2q3r n SER 356 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2q3r s ASP 357 N -0.93 6.42 0.00 4.04 2.15 -1.26 -4.88 116.67 122.22 2q3r s ASP 357 Ca 0.51 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.52 2q3r s ASP 357 Cb 0.31 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2q3r s ASP 357 CO 0.28 -1.48 0.61 -2.65 -0.17 0.00 0.00 175.17 171.76 2q3r n PRO 358 N 8.39 0.00 0.06 4.34 -0.02 -1.26 -3.16 135.00 143.36 2q3r n PRO 358 Ca 0.08 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2q3r n PRO 358 Cb 0.49 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2q3r n PRO 358 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2q3r n VAL 359 N -1.11 0.81 -1.88 -1.45 0.31 -1.26 -4.67 118.33 109.09 2q3r n VAL 359 Ca 0.00 0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 64.18 2q3r n VAL 359 Cb 0.34 -1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 2q3r n VAL 359 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2q3r s VAL 360 N -2.00 3.37 -0.85 2.52 1.01 -1.19 -1.42 120.40 121.84 2q3r s VAL 360 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2q3r s VAL 360 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2q3r s VAL 360 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2q3r n GLY 361 N 4.35 0.98 0.00 4.51 0.00 -1.26 -4.72 105.19 109.04 2q3r n GLY 361 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2q3r n GLY 361 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2q3r n TYR 362 N -2.79 0.00 -0.68 1.61 9.36 -0.55 -4.75 117.16 119.36 2q3r n TYR 362 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 2q3r n TYR 362 Cb 0.27 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.98 2q3r n TYR 362 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2q3r n THR 363 N -1.44 0.00 1.49 2.97 -2.24 -0.51 -4.82 114.28 109.73 2q3r n THR 363 Ca 0.00 -0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 2q3r n THR 363 Cb 0.19 1.68 0.52 0.00 -2.10 0.00 0.00 70.33 70.61 2q3r n THR 363 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3r n ASP 364 N -0.01 1.31 -4.66 3.42 3.85 -1.21 -4.81 116.55 114.45 2q3r n ASP 364 Ca 0.00 -1.52 -0.43 0.00 -0.71 0.00 0.00 54.79 52.14 2q3r n ASP 364 Cb 0.17 -0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 39.88 2q3r n ASP 364 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 2q3r s TYR 365 N -1.93 2.27 0.44 2.11 2.02 -1.26 -4.96 117.35 116.03 2q3r s TYR 365 Ca 0.36 0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 57.33 2q3r s TYR 365 Cb 0.19 -3.80 -0.09 0.00 -0.40 0.00 0.00 41.96 37.87 2q3r s TYR 365 CO 0.31 -3.06 1.06 -1.25 -1.57 0.00 0.00 175.55 171.04 2q3r s PRO 366 N 3.95 3.99 0.82 -1.71 0.04 -1.26 -4.59 135.00 136.24 2q3r s PRO 366 Ca 0.67 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2q3r s PRO 366 Cb -0.29 -2.37 0.09 0.00 0.04 0.00 0.00 34.50 31.98 2q3r s PRO 366 CO 0.25 -0.28 1.18 -0.06 0.04 0.00 0.00 177.00 178.12 2q3r s PHE 367 N -1.76 2.76 0.67 0.56 0.40 -1.26 -4.65 117.98 114.69 2q3r s PHE 367 Ca 0.62 0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 57.44 2q3r s PHE 367 Cb -0.21 -3.55 0.01 0.00 0.51 0.00 0.00 43.02 39.78 2q3r s PHE 367 CO 0.25 -1.86 1.18 -0.51 0.70 0.00 0.00 175.22 174.99 2q3r s LEU 368 N -5.58 3.44 0.00 -0.37 1.43 -1.26 -5.09 118.68 111.25 2q3r s LEU 368 Ca 0.63 2.28 0.30 0.00 -1.03 0.00 0.00 54.13 56.31 2q3r s LEU 368 Cb -0.10 -4.58 1.39 0.00 0.03 0.00 0.00 46.19 42.92 2q3r s LEU 368 CO 0.49 -1.90 1.94 -0.62 0.23 0.00 0.00 176.35 176.48