#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 4.83 0.22 2.46 1.01 -1.26 -4.97 120.40 122.69 2q3r s VAL 10 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2q3r s VAL 10 Cb 0.00 -4.20 0.30 0.00 0.00 0.00 0.00 36.38 32.48 2q3r s VAL 10 CO 0.00 -0.59 1.35 -2.65 0.00 0.00 0.00 175.10 173.21 2q3r n PRO 11 N 6.25 -0.14 0.14 2.72 -0.02 -1.26 0.43 135.00 143.12 2q3r n PRO 11 Ca -0.02 1.34 0.05 0.00 -2.02 0.00 0.00 63.50 62.85 2q3r n PRO 11 Cb 0.48 -1.99 0.50 0.00 -0.02 0.00 0.00 33.50 32.46 2q3r n PRO 11 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2q3r h LEU 12 N 0.00 0.19 -1.77 2.45 3.38 -1.80 -1.93 115.31 115.83 2q3r h LEU 12 Ca 0.35 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2q3r h LEU 12 Cb 0.57 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2q3r h LEU 12 CO -0.87 0.22 0.00 0.18 0.09 0.00 0.00 178.44 178.06 2q3r n LEU 13 N -4.43 2.60 -4.79 1.67 7.99 0.17 -1.05 117.00 119.16 2q3r n LEU 13 Ca -0.01 -1.30 -0.39 0.00 -0.01 0.00 0.00 56.01 54.30 2q3r n LEU 13 Cb 0.15 -0.35 -0.06 0.00 -0.11 0.00 0.00 43.42 43.05 2q3r n LEU 13 CO 0.36 0.57 0.30 0.42 -1.51 0.00 0.00 177.39 177.53 2q3r s THR 14 N -1.52 4.78 0.92 -5.08 -4.23 -0.73 -4.80 115.64 104.99 2q3r s THR 14 Ca 0.30 1.28 -0.10 0.00 -1.18 0.00 0.00 61.69 61.98 2q3r s THR 14 Cb 0.17 -3.94 0.13 0.00 1.34 0.00 0.00 72.50 70.21 2q3r s THR 14 CO 0.18 0.49 1.06 -2.65 -0.54 0.00 0.00 174.62 173.16 2q3r n PRO 15 N 2.17 -0.42 -3.71 3.99 -0.02 -1.21 -3.90 135.00 131.89 2q3r n PRO 15 Ca -0.08 -0.06 -0.14 0.00 -2.02 0.00 0.00 63.50 61.20 2q3r n PRO 15 Cb 0.51 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 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 -2.59 -0.26 -0.47 6.00 5.04 -0.08 -4.91 117.35 120.08 2q3r s TYR 16 Ca 0.66 0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 55.67 2q3r s TYR 16 Cb -0.23 0.16 0.12 0.00 0.35 0.00 0.00 41.96 42.36 2q3r s TYR 16 CO 0.59 -0.45 0.24 0.21 -1.34 0.00 0.00 175.55 174.80 2q3r s LYS 17 N -1.51 2.03 -0.83 4.97 2.20 -1.26 -1.09 119.74 124.24 2q3r s LYS 17 Ca -0.12 -2.15 -0.26 0.00 -0.36 0.00 0.00 55.97 53.09 2q3r s LYS 17 Cb -0.04 -3.50 0.03 0.00 -1.51 0.00 0.00 37.83 32.82 2q3r s LYS 17 CO 0.04 -1.08 1.39 1.41 -0.36 0.00 0.00 175.35 176.76 2q3r s MET 18 N 0.55 3.27 7.11 4.03 -2.45 -0.48 -4.82 119.30 126.51 2q3r s MET 18 Ca 0.12 -0.48 0.00 0.00 -1.25 0.00 0.00 55.69 54.08 2q3r s MET 18 Cb -0.22 -4.61 0.00 0.00 1.25 0.00 0.00 34.83 31.25 2q3r s MET 18 CO -0.04 -2.24 0.00 0.41 1.05 0.00 0.00 175.02 174.20 2q3r n GLY 19 N 5.94 3.85 0.19 2.11 0.00 -1.26 -0.02 105.19 116.00 2q3r n GLY 19 Ca 0.15 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 14.00 0.96 -3.16 1.61 3.00 -1.26 -4.83 116.66 126.97 2q3r n ARG 20 Ca 0.00 -0.38 -0.40 0.00 -0.00 0.00 0.00 57.85 57.07 2q3r n ARG 20 Cb 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 30.90 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 -2.31 3.35 -0.97 -0.14 0.40 0.97 -5.01 117.98 114.26 2q3r s PHE 21 Ca 0.33 0.84 -0.24 0.00 -0.60 0.00 0.00 56.93 57.26 2q3r s PHE 21 Cb 0.20 -2.77 0.03 0.00 0.51 0.00 0.00 43.02 40.99 2q3r s PHE 21 CO 0.43 -0.20 1.55 -0.80 0.70 0.00 0.00 175.22 176.91 2q3r s ASN 22 N 1.27 6.17 -0.16 1.36 0.01 -1.26 -1.38 114.94 120.96 2q3r s ASN 22 Ca 0.26 -1.20 -0.21 0.00 -0.71 0.00 0.00 52.86 50.99 2q3r s ASN 22 Cb -0.16 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.91 2q3r s ASN 22 CO 0.10 -1.81 0.64 -0.76 -1.51 0.00 0.00 177.10 173.77 2q3r s LEU 23 N 6.18 4.20 0.22 0.60 1.43 -0.25 -4.69 118.68 126.37 2q3r s LEU 23 Ca 0.51 0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 54.50 2q3r s LEU 23 Cb -0.02 -2.94 0.21 0.00 0.03 0.00 0.00 46.19 43.47 2q3r s LEU 23 CO -0.06 -0.22 1.68 -1.28 0.23 0.00 0.00 176.35 176.70 2q3r h SER 24 N 7.23 0.86 -3.33 2.29 0.87 -0.79 -0.17 113.55 120.51 2q3r h SER 24 Ca -0.34 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 59.84 2q3r h SER 24 Cb 1.16 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2q3r h SER 24 CO 0.77 0.96 0.10 0.00 -0.53 0.00 0.00 176.83 178.14 2q3r n HIS 25 N -4.17 -1.98 -0.43 2.24 -0.00 -1.26 -3.32 115.22 106.31 2q3r n HIS 25 Ca 0.02 -2.00 0.09 0.00 -0.00 0.00 0.00 57.72 55.83 2q3r n HIS 25 Cb 0.36 0.76 0.27 0.00 -0.00 0.00 0.00 29.99 31.38 2q3r n HIS 25 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2q3r n ARG 26 N -0.54 3.07 -3.06 -1.40 1.74 -0.21 -4.73 116.66 111.52 2q3r n ARG 26 Ca -0.05 -2.54 -0.44 0.00 -0.77 0.00 0.00 57.85 54.05 2q3r n ARG 26 Cb 0.58 -1.58 -0.05 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.38 4.72 -0.15 1.55 1.01 -1.26 -2.34 120.40 122.56 2q3r s VAL 27 Ca 0.41 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2q3r s VAL 27 Cb 0.24 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2q3r s VAL 27 CO 0.23 -1.02 0.13 -0.69 0.00 0.00 0.00 175.10 173.75 2q3r s VAL 28 N 3.01 5.40 -0.26 2.92 1.01 -0.78 -4.46 120.40 127.25 2q3r s VAL 28 Ca 0.17 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 2q3r s VAL 28 Cb -0.19 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 2q3r s VAL 28 CO 0.11 0.55 1.25 -0.22 0.00 0.00 0.00 175.10 176.79 2q3r s LEU 29 N -0.48 3.99 0.46 3.92 2.96 -0.97 -0.63 118.68 127.92 2q3r s LEU 29 Ca 0.12 1.34 -0.23 0.00 -0.22 0.00 0.00 54.13 55.14 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 -0.94 1.13 0.00 -1.32 0.00 0.00 176.35 175.24 2q3r s ALA 30 N 3.96 2.96 0.18 5.97 0.00 -0.69 -1.77 121.76 132.37 2q3r s ALA 30 Ca 0.54 0.85 -0.32 0.00 0.00 0.00 0.00 51.96 53.02 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 0.19 -0.55 1.71 -0.35 0.00 0.00 0.00 175.76 176.76 2q3r n PRO 31 N -0.51 2.64 -3.71 0.00 -0.04 -1.24 -4.78 135.00 127.37 2q3r n PRO 31 Ca 0.07 0.96 -0.29 0.00 -0.04 0.00 0.00 63.50 64.20 2q3r n PRO 31 Cb 0.49 -2.79 -0.16 0.00 -0.04 0.00 0.00 33.50 31.00 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 1.38 1.60 -0.00 1.53 1.43 -1.26 -4.85 118.68 118.51 2q3r s LEU 32 Ca 0.77 -1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 2q3r s LEU 32 Cb -0.54 -0.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.91 2q3r s LEU 32 CO 0.34 -0.38 1.92 -0.89 0.23 0.00 0.00 176.35 177.58 2q3r s THR 33 N 1.77 3.13 -0.29 5.49 2.01 -1.26 -4.25 115.64 122.25 2q3r s THR 33 Ca 0.05 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.25 2q3r s THR 33 Cb -0.17 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 2q3r s THR 33 CO -0.20 -0.02 0.35 0.54 -0.69 0.00 0.00 174.62 174.60 2q3r n ARG 34 N 7.56 3.01 -3.70 4.92 5.12 -1.26 -4.81 116.66 127.50 2q3r n ARG 34 Ca 0.20 -0.33 -0.29 0.00 -1.93 0.00 0.00 57.85 55.50 2q3r n ARG 34 Cb 0.42 -0.84 0.04 0.00 -1.16 0.00 0.00 32.46 30.91 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 -1.77 -0.44 5.56 6.02 -1.26 -4.52 117.38 120.48 2q3r n GLN 35 Ca 0.01 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2q3r n GLN 35 Cb 0.07 -4.31 0.00 0.00 1.02 0.00 0.00 30.24 27.02 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 -4.18 0.03 -3.19 -1.09 1.74 -0.81 -4.48 116.66 104.67 2q3r n ARG 36 Ca -0.13 -0.98 -0.43 0.00 -0.77 0.00 0.00 57.85 55.55 2q3r n ARG 36 Cb 0.61 -0.52 -0.00 0.00 -1.02 0.00 0.00 32.46 31.53 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 -0.03 5.84 -4.63 0.55 7.64 -0.65 -4.56 113.62 117.78 2q3r n SER 37 Ca 0.00 -3.26 -0.62 0.00 1.01 0.00 0.00 58.87 56.00 2q3r n SER 37 Cb 0.68 -1.27 -0.09 0.00 -1.01 0.00 0.00 64.21 62.52 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 1.84 1.34 -1.38 1.43 0.53 -1.19 0.11 117.16 119.85 2q3r n TYR 38 Ca 0.25 1.00 -0.13 0.00 -1.02 0.00 0.00 57.90 58.00 2q3r n TYR 38 Cb 0.36 -2.21 -0.06 0.00 -1.03 0.00 0.00 39.34 36.40 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 2.93 1.38 2.34 2.72 0.00 -1.26 -1.45 105.19 111.85 2q3r n GLY 39 Ca 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.21 -2.78 -4.68 1.61 5.03 0.12 -5.01 115.26 109.34 2q3r n ASN 40 Ca -0.13 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.96 2q3r n ASN 40 Cb 0.44 -0.83 -0.09 0.00 -1.02 0.00 0.00 39.78 38.28 2q3r n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2q3r s VAL 41 N -2.18 5.37 0.67 2.41 1.01 -0.53 -1.79 120.40 125.36 2q3r s VAL 41 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 2q3r s VAL 41 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2q3r s VAL 41 CO 0.00 0.37 0.95 -2.65 0.00 0.00 0.00 175.10 173.77 2q3r n PRO 42 N 4.08 0.67 -4.33 2.72 -0.02 -1.26 -3.18 135.00 133.68 2q3r n PRO 42 Ca -0.15 0.28 -0.25 0.00 -2.02 0.00 0.00 63.50 61.36 2q3r n PRO 42 Cb 0.52 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.69 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 -3.07 1.25 0.57 -0.52 -1.52 -1.26 -4.89 119.66 110.22 2q3r s GLN 43 Ca 0.75 -1.29 0.28 0.00 -1.95 0.00 0.00 55.36 53.16 2q3r s GLN 43 Cb -0.37 -1.54 1.48 0.00 -0.22 0.00 0.00 33.01 32.35 2q3r s GLN 43 CO 0.49 0.35 1.94 -1.35 -0.25 0.00 0.00 175.29 176.46 2q3r h PRO 44 N 3.79 0.00 0.00 2.91 0.11 -1.95 0.30 132.00 137.16 2q3r h PRO 44 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2q3r h PRO 44 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2q3r h PRO 44 CO 0.42 0.00 -0.05 1.12 -0.21 0.00 0.00 178.00 179.28 2q3r h HIS 45 N 0.00 0.00 -0.03 0.65 2.07 -1.95 -1.06 115.15 114.83 2q3r h HIS 45 Ca 0.24 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.65 2q3r h HIS 45 Cb 1.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 2q3r h HIS 45 CO 0.00 0.05 -0.51 0.00 -3.07 0.00 0.00 177.93 174.41 2q3r h ALA 46 N 1.95 1.11 -0.87 6.11 0.00 -0.76 -2.11 119.26 124.69 2q3r h ALA 46 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2q3r h ALA 46 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2q3r h ALA 46 CO 0.01 0.64 0.44 0.00 0.00 0.00 0.00 179.25 180.34 2q3r h ALA 47 N 1.43 1.13 0.24 0.00 0.00 -1.28 -2.11 119.26 118.67 2q3r h ALA 47 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2q3r h ALA 47 Cb 0.92 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2q3r h ALA 47 CO 0.07 0.67 -0.11 0.82 0.00 0.00 0.00 179.25 180.69 2q3r h ILE 48 N 1.23 0.76 -0.70 0.00 1.08 -1.51 -2.48 117.51 115.89 2q3r h ILE 48 Ca 0.30 -0.84 0.10 0.00 -0.39 0.00 0.00 64.86 64.03 2q3r h ILE 48 Cb 0.09 1.19 -0.12 0.00 -3.07 0.00 0.00 36.82 34.91 2q3r h ILE 48 CO -0.04 0.16 -0.43 0.22 -0.69 0.00 0.00 178.15 177.37 2q3r h TYR 49 N -0.80 -1.25 -0.05 1.37 3.20 -1.28 0.02 116.97 118.17 2q3r h TYR 49 Ca -0.03 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2q3r h TYR 49 Cb 0.51 0.65 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 2q3r h TYR 49 CO 0.05 -0.41 -0.01 1.88 -1.64 0.00 0.00 178.16 178.03 2q3r h TYR 50 N -0.16 0.11 -0.89 -3.82 0.05 -1.51 -3.24 116.97 107.51 2q3r h TYR 50 Ca 0.22 -0.02 0.11 0.00 0.05 0.00 0.00 58.73 59.09 2q3r h TYR 50 Cb 0.55 -0.03 -0.13 0.00 1.01 0.00 0.00 36.73 38.14 2q3r h TYR 50 CO -0.76 0.45 -0.42 0.43 -1.05 0.00 0.00 178.16 176.81 2q3r n SER 51 N -4.83 -0.73 0.24 3.88 7.64 -0.54 0.32 113.62 119.60 2q3r n SER 51 Ca -0.07 1.57 0.15 0.00 1.01 0.00 0.00 58.87 61.53 2q3r n SER 51 Cb 0.22 -0.30 0.79 0.00 -1.01 0.00 0.00 64.21 63.92 2q3r n SER 51 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2q3r h GLN 52 N 0.00 0.00 -0.35 1.43 4.20 -1.07 -1.19 115.11 118.14 2q3r h GLN 52 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2q3r h GLN 52 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2q3r h GLN 52 CO -0.87 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 177.83 2q3r n ARG 53 N -2.56 2.32 -3.57 1.46 1.74 0.96 -4.07 116.66 112.93 2q3r n ARG 53 Ca -0.02 -2.03 -0.37 0.00 -0.77 0.00 0.00 57.85 54.67 2q3r n ARG 53 Cb 0.11 -1.36 -0.08 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.11 5.31 0.05 0.55 2.01 -0.45 -4.97 115.64 117.04 2q3r s THR 54 Ca 0.29 0.42 0.08 0.00 0.31 0.00 0.00 61.69 62.79 2q3r s THR 54 Cb 0.16 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 2q3r s THR 54 CO 0.22 0.35 -0.21 0.42 -0.69 0.00 0.00 174.62 174.71 2q3r s THR 55 N 0.81 1.73 0.01 -0.82 -4.23 -1.26 -4.95 115.64 106.93 2q3r s THR 55 Ca 0.13 -1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 59.09 2q3r s THR 55 Cb -0.13 -1.51 -0.08 0.00 1.34 0.00 0.00 72.50 72.11 2q3r s THR 55 CO 0.04 0.20 1.99 -2.84 -0.54 0.00 0.00 174.62 173.47 2q3r s PRO 56 N -1.26 4.03 0.00 3.99 0.02 -0.84 -0.47 135.00 140.47 2q3r s PRO 56 Ca 0.08 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2q3r s PRO 56 Cb -0.09 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.24 2q3r s PRO 56 CO 0.02 -1.09 0.00 0.41 -0.33 0.00 0.00 177.00 176.01 2q3r n GLY 57 N 4.68 0.93 3.79 0.52 0.00 0.30 -4.60 105.19 110.81 2q3r n GLY 57 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.04 2.56 -0.20 -0.02 0.00 0.38 -0.18 107.32 107.82 2q3r s GLY 58 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 44.72 45.28 2q3r s GLY 58 CO 0.00 0.99 0.09 -0.12 0.00 0.00 0.00 173.10 174.06 2q3r s PHE 59 N -1.90 3.29 -0.06 1.90 5.99 -1.26 -1.31 117.98 124.63 2q3r s PHE 59 Ca 0.66 0.13 0.05 0.00 0.00 0.00 0.00 56.93 57.77 2q3r s PHE 59 Cb -0.18 -2.14 -0.02 0.00 0.00 0.00 0.00 43.02 40.69 2q3r s PHE 59 CO 0.22 0.14 -0.21 -0.51 -0.00 0.00 0.00 175.22 174.86 2q3r s LEU 60 N 0.54 2.29 -0.15 6.12 1.02 0.47 -2.30 118.68 126.67 2q3r s LEU 60 Ca 0.05 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 53.80 2q3r s LEU 60 Cb -0.12 -1.43 0.00 0.00 0.02 0.00 0.00 46.19 44.66 2q3r s LEU 60 CO 0.01 0.27 -0.17 -0.63 0.02 0.00 0.00 176.35 175.85 2q3r s ILE 61 N -0.33 2.48 0.81 -0.59 1.01 -0.73 -1.37 121.20 122.48 2q3r s ILE 61 Ca 0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 2q3r s ILE 61 Cb -0.13 -2.04 0.08 0.00 0.01 0.00 0.00 42.46 40.38 2q3r s ILE 61 CO 0.02 0.52 1.09 0.42 0.00 0.00 0.00 174.94 176.99 2q3r s THR 62 N 0.85 3.16 0.91 2.92 -4.23 -0.77 -3.69 115.64 114.79 2q3r s THR 62 Ca -0.05 0.38 -0.11 0.00 -1.18 0.00 0.00 61.69 60.73 2q3r s THR 62 Cb -0.15 -2.97 0.13 0.00 1.34 0.00 0.00 72.50 70.85 2q3r s THR 62 CO -0.01 -0.49 1.09 -1.84 -0.54 0.00 0.00 174.62 172.82 2q3r n GLU 63 N -3.55 -0.38 -1.72 3.99 0.28 -1.26 -4.10 120.64 113.90 2q3r n GLU 63 Ca 0.08 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.16 56.61 2q3r n GLU 63 Cb 0.55 -2.34 -0.01 0.00 1.43 0.00 0.00 31.44 31.07 2q3r n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2q3r n ALA 64 N -4.09 1.71 -3.59 -1.84 0.00 -1.26 -4.39 120.51 107.04 2q3r n ALA 64 Ca 0.12 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 -0.95 1.55 0.49 0.00 2.01 -0.52 -4.32 115.64 113.89 2q3r s THR 65 Ca 0.56 -0.68 -0.23 0.00 0.31 0.00 0.00 61.69 61.64 2q3r s THR 65 Cb -0.54 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.50 2q3r s THR 65 CO 0.61 0.45 1.35 -0.83 -0.69 0.00 0.00 174.62 175.51 2q3r s GLY 66 N 0.88 2.89 0.02 4.40 0.00 0.14 -1.62 107.32 114.04 2q3r s GLY 66 Ca -0.09 1.32 0.22 0.00 0.00 0.00 0.00 44.72 46.17 2q3r s GLY 66 CO -0.00 1.87 0.66 3.33 0.00 0.00 0.00 173.10 178.96 2q3r n VAL 67 N -0.58 0.13 -3.98 1.40 0.24 -0.93 -2.36 118.33 112.24 2q3r n VAL 67 Ca 0.08 -0.45 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 2q3r n VAL 67 Cb 0.44 0.03 -0.05 0.00 -1.47 0.00 0.00 33.84 32.79 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 -4.51 -0.11 0.00 -1.34 1.04 -1.26 -4.61 113.70 102.91 2q3r s SER 68 Ca -0.04 -0.90 0.08 0.00 0.48 0.00 0.00 55.95 55.57 2q3r s SER 68 Cb 0.13 0.60 0.39 0.00 0.10 0.00 0.00 66.02 67.24 2q3r s SER 68 CO 0.88 -1.15 1.22 -0.90 0.98 0.00 0.00 173.24 174.26 2q3r n ASP 69 N -0.39 0.00 -0.27 7.02 5.75 -1.26 -1.54 116.55 125.86 2q3r n ASP 69 Ca -0.02 0.36 0.06 0.00 -0.01 0.00 0.00 54.79 55.18 2q3r n ASP 69 Cb 0.62 -0.41 0.12 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.41 1.56 1.45 2.12 -2.24 -1.26 -4.58 114.28 109.92 2q3r n THR 70 Ca 0.03 -1.63 0.14 0.00 -2.27 0.00 0.00 64.05 60.32 2q3r n THR 70 Cb 0.09 0.09 0.54 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.71 2.77 -2.66 6.98 0.00 -0.59 -4.69 120.51 121.62 2q3r n ALA 71 Ca 0.11 -0.37 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 2q3r n ALA 71 Cb 0.53 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.25 3.69 0.00 0.00 1.11 -1.26 -1.44 119.66 119.51 2q3r s GLN 72 Ca 0.33 0.10 0.00 0.00 0.01 0.00 0.00 55.36 55.80 2q3r s GLN 72 Cb 0.20 -3.08 0.00 0.00 -1.01 0.00 0.00 33.01 29.12 2q3r s GLN 72 CO 0.42 0.64 0.08 0.41 0.01 0.00 0.00 175.29 176.85 2q3r n GLY 73 N 1.24 0.34 3.13 3.09 0.00 -1.26 -4.66 105.19 107.07 2q3r n GLY 73 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.00 0.76 0.64 1.61 2.02 -1.26 -4.60 117.35 116.51 2q3r s TYR 74 Ca 0.00 -0.85 -0.15 0.00 -0.37 0.00 0.00 57.07 55.70 2q3r s TYR 74 Cb 0.00 -0.46 -0.01 0.00 -0.40 0.00 0.00 41.96 41.09 2q3r s TYR 74 CO 0.00 -0.18 1.09 1.14 -1.57 0.00 0.00 175.55 176.04 2q3r s GLN 75 N -3.31 2.96 -0.70 -0.62 -2.07 -1.26 -4.23 119.66 110.42 2q3r s GLN 75 Ca 0.06 1.33 -0.21 0.00 -1.82 0.00 0.00 55.36 54.72 2q3r s GLN 75 Cb 0.02 -1.98 0.03 0.00 -1.09 0.00 0.00 33.01 29.99 2q3r s GLN 75 CO -0.05 -1.12 0.39 -0.25 -1.32 0.00 0.00 175.29 172.95 2q3r n ASP 76 N -2.30 -2.35 -4.67 12.60 8.00 -1.26 -4.65 116.55 121.93 2q3r n ASP 76 Ca 0.10 -0.76 -0.33 0.00 0.71 0.00 0.00 54.79 54.50 2q3r n ASP 76 Cb 0.52 -0.91 -0.09 0.00 -0.02 0.00 0.00 41.12 40.62 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 -4.15 4.13 0.57 -3.53 -4.23 -1.26 -1.64 115.64 105.53 2q3r s THR 77 Ca 0.29 -0.49 -0.19 0.00 -1.18 0.00 0.00 61.69 60.13 2q3r s THR 77 Cb -0.16 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2q3r s THR 77 CO 0.56 0.47 1.14 -2.16 -0.54 0.00 0.00 174.62 174.10 2q3r s PRO 78 N -1.25 3.18 0.44 3.99 0.04 -1.26 -4.11 135.00 136.03 2q3r s PRO 78 Ca 0.17 1.62 0.05 0.00 0.04 0.00 0.00 61.00 62.88 2q3r s PRO 78 Cb -0.11 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2q3r s PRO 78 CO 0.07 -0.99 0.01 0.20 0.04 0.00 0.00 177.00 176.33 2q3r s GLY 79 N -1.86 2.68 -0.37 0.56 0.00 -0.74 0.28 107.32 107.86 2q3r s GLY 79 Ca 0.73 -1.65 0.12 0.00 0.00 0.00 0.00 44.72 43.91 2q3r s GLY 79 CO 0.30 -2.13 1.43 4.51 0.00 0.00 0.00 173.10 177.22 2q3r n ILE 80 N -1.06 0.06 0.47 0.90 3.06 -0.99 -4.76 119.36 117.04 2q3r n ILE 80 Ca -0.10 -1.34 0.05 0.00 -2.50 0.00 0.00 62.75 58.86 2q3r n ILE 80 Cb 0.67 1.00 -0.02 0.00 0.54 0.00 0.00 39.64 41.83 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 -1.04 0.00 -4.42 9.51 2.14 -1.26 -4.46 117.44 117.90 2q3r n TRP 81 Ca -0.10 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.23 2q3r n TRP 81 Cb 0.86 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 31.27 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 -1.55 2.65 0.31 -1.67 -4.23 -1.26 -4.98 115.64 104.92 2q3r s THR 82 Ca 0.08 -2.20 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 2q3r s THR 82 Cb 0.08 -2.55 0.11 0.00 1.34 0.00 0.00 72.50 71.48 2q3r s THR 82 CO 0.30 -0.33 1.80 0.11 -0.54 0.00 0.00 174.62 175.97 2q3r h LYS 83 N 2.07 0.51 -0.27 3.99 1.57 -1.99 -2.05 116.57 120.40 2q3r h LYS 83 Ca -0.42 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 58.26 2q3r h LYS 83 Cb 1.25 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 2q3r h LYS 83 CO 0.63 0.63 0.01 1.49 -0.57 0.00 0.00 179.45 181.64 2q3r h GLU 84 N 0.48 0.09 -0.09 3.15 4.81 -1.99 0.40 114.58 121.43 2q3r h GLU 84 Ca 0.09 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2q3r h GLU 84 Cb 0.49 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2q3r h GLU 84 CO 0.03 0.06 -0.05 0.45 -0.73 0.00 0.00 179.01 178.78 2q3r h HIS 85 N 0.10 -0.11 -0.16 0.92 3.86 -1.79 -0.50 115.15 117.47 2q3r h HIS 85 Ca 0.13 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 2q3r h HIS 85 Cb 0.16 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.63 2q3r h HIS 85 CO -0.20 -0.07 -0.53 0.28 0.86 0.00 0.00 177.93 178.27 2q3r h VAL 86 N -0.04 0.02 -0.73 2.45 2.07 -0.70 -0.15 116.25 119.17 2q3r h VAL 86 Ca 0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.70 2q3r h VAL 86 Cb 0.12 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 2q3r h VAL 86 CO -0.11 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 177.63 2q3r h GLU 87 N -0.55 0.45 -0.03 1.57 4.39 -0.61 -1.69 114.58 118.10 2q3r h GLU 87 Ca 0.05 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2q3r h GLU 87 Cb 0.67 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2q3r h GLU 87 CO -0.45 0.29 -0.67 0.00 -1.16 0.00 0.00 179.01 177.02 2q3r h ALA 88 N 1.65 0.82 0.00 3.43 0.00 0.57 -3.23 119.26 122.50 2q3r h ALA 88 Ca 0.35 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2q3r h ALA 88 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2q3r h ALA 88 CO -0.11 0.80 -0.47 -1.49 0.00 0.00 0.00 179.25 177.98 2q3r h TRP 89 N 0.09 0.00 -0.16 0.00 4.06 -0.17 -3.36 115.95 116.40 2q3r h TRP 89 Ca -0.01 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.99 2q3r h TRP 89 Cb 1.20 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.29 2q3r h TRP 89 CO 0.01 0.47 -0.32 0.87 -3.56 0.00 0.00 178.44 175.92 2q3r h LYS 90 N 0.00 -0.36 0.00 0.49 1.57 -1.49 -0.72 116.57 116.06 2q3r h LYS 90 Ca -0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2q3r h LYS 90 Cb 1.24 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 2q3r h LYS 90 CO 0.06 -0.24 -0.08 -1.00 -0.57 0.00 0.00 179.45 177.62 2q3r h PRO 91 N -0.37 0.00 -0.11 3.15 0.13 -1.76 0.32 132.00 133.36 2q3r h PRO 91 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2q3r h PRO 91 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 2q3r h PRO 91 CO -0.37 0.08 -0.07 0.82 -0.23 0.00 0.00 178.00 178.22 2q3r h ILE 92 N 0.00 1.34 -0.58 -3.56 2.04 -1.49 -2.29 117.51 112.96 2q3r h ILE 92 Ca -0.00 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 2q3r h ILE 92 Cb 0.19 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 2q3r h ILE 92 CO 0.01 0.33 0.28 0.58 0.00 0.00 0.00 178.15 179.35 2q3r h VAL 93 N -0.13 1.21 -0.74 1.67 2.07 -0.68 -2.59 116.25 117.06 2q3r h VAL 93 Ca 0.02 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2q3r h VAL 93 Cb 0.56 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2q3r h VAL 93 CO 0.02 0.24 0.42 0.44 0.02 0.00 0.00 177.57 178.70 2q3r h ASP 94 N 0.79 0.90 -0.18 0.57 3.32 -0.92 -1.14 116.42 119.76 2q3r h ASP 94 Ca 0.20 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2q3r h ASP 94 Cb 0.11 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2q3r h ASP 94 CO -0.03 0.71 0.11 0.00 -1.72 0.00 0.00 179.24 178.32 2q3r h ALA 95 N 1.44 0.23 0.27 3.45 0.00 -1.12 0.92 119.26 124.45 2q3r h ALA 95 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2q3r h ALA 95 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2q3r h ALA 95 CO -0.05 -0.26 -0.13 0.28 0.00 0.00 0.00 179.25 179.10 2q3r h VAL 96 N 0.21 0.74 -0.30 0.00 2.07 -1.08 -1.71 116.25 116.17 2q3r h VAL 96 Ca 0.06 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.66 2q3r h VAL 96 Cb 0.03 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2q3r h VAL 96 CO -0.01 0.00 0.22 0.45 0.02 0.00 0.00 177.57 178.25 2q3r h HIS 97 N -0.37 0.00 -1.00 1.57 -0.00 -1.09 -1.10 115.15 113.17 2q3r h HIS 97 Ca -0.04 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.43 2q3r h HIS 97 Cb 0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.62 2q3r h HIS 97 CO -0.06 0.00 0.63 0.00 -0.00 0.00 0.00 177.93 178.50 2q3r h ALA 98 N 1.84 1.45 -0.52 2.45 0.00 0.15 0.15 119.26 124.77 2q3r h ALA 98 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2q3r h ALA 98 Cb 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2q3r h ALA 98 CO -0.00 0.31 0.00 1.63 0.00 0.00 0.00 179.25 181.19 2q3r n LYS 99 N -4.58 3.98 -3.04 0.00 5.02 -0.44 -4.96 118.16 114.14 2q3r n LYS 99 Ca 0.17 -2.62 -0.13 0.00 -2.02 0.00 0.00 58.31 53.72 2q3r n LYS 99 Cb 0.28 -2.03 0.07 0.00 -0.02 0.00 0.00 35.03 33.32 2q3r n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q3r n GLY 100 N 0.73 -0.31 3.75 0.72 0.00 0.52 -1.98 105.19 108.61 2q3r n GLY 100 Ca 0.23 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.87 1.83 -0.20 -0.02 0.00 -1.08 0.11 107.32 104.09 2q3r s GLY 101 Ca 0.09 -1.18 -0.14 0.00 0.00 0.00 0.00 44.72 43.49 2q3r s GLY 101 CO 0.57 -1.17 0.32 -0.42 0.00 0.00 0.00 173.10 172.40 2q3r s ILE 102 N -1.57 5.26 -0.18 0.90 1.09 -0.43 -4.48 121.20 121.78 2q3r s ILE 102 Ca 0.29 0.56 0.00 0.00 -1.10 0.00 0.00 60.65 60.40 2q3r s ILE 102 Cb -0.11 -3.66 0.04 0.00 -1.06 0.00 0.00 42.46 37.68 2q3r s ILE 102 CO 0.21 0.30 -0.08 0.12 -0.10 0.00 0.00 174.94 175.39 2q3r s PHE 103 N 1.10 2.05 -0.07 3.97 5.36 -1.26 -0.40 117.98 128.73 2q3r s PHE 103 Ca 0.16 -1.34 -0.00 0.00 -0.96 0.00 0.00 56.93 54.79 2q3r s PHE 103 Cb -0.14 -1.47 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 2q3r s PHE 103 CO 0.06 -0.68 -0.04 -0.06 -1.46 0.00 0.00 175.22 173.04 2q3r s PHE 104 N 1.52 3.03 -0.35 10.12 0.40 -0.47 -1.61 117.98 130.61 2q3r s PHE 104 Ca -0.00 0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.24 2q3r s PHE 104 Cb -0.16 -1.74 -0.00 0.00 0.51 0.00 0.00 43.02 41.63 2q3r s PHE 104 CO -0.08 0.39 0.50 0.00 0.70 0.00 0.00 175.22 176.74 2q3r s GLN 106 N 2.37 4.59 -0.07 0.00 0.74 -1.26 -2.47 119.66 123.57 2q3r s GLN 106 Ca 0.18 1.77 0.03 0.00 0.05 0.00 0.00 55.36 57.39 2q3r s GLN 106 Cb -0.16 -3.25 0.01 0.00 1.10 0.00 0.00 33.01 30.71 2q3r s GLN 106 CO 0.13 0.09 -0.16 0.96 -0.55 0.00 0.00 175.29 175.75 2q3r s ILE 107 N -0.47 1.45 0.00 -2.34 -4.36 -0.28 -1.44 121.20 113.76 2q3r s ILE 107 Ca 0.49 -0.68 0.00 0.00 -0.26 0.00 0.00 60.65 60.20 2q3r s ILE 107 Cb -0.31 -1.28 0.00 0.00 1.25 0.00 0.00 42.46 42.13 2q3r s ILE 107 CO 0.37 0.42 0.00 -2.67 0.24 0.00 0.00 174.94 173.30 2q3r n TRP 108 N 3.57 0.00 -3.56 1.37 4.27 -0.64 -0.38 117.44 122.07 2q3r n TRP 108 Ca -0.21 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.39 2q3r n TRP 108 Cb 0.52 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.42 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 -1.42 -0.89 -0.67 -2.67 2.46 -1.26 -2.20 115.29 108.64 2q3r s HIS 109 Ca 0.00 1.62 0.24 0.00 0.47 0.00 0.00 55.06 57.39 2q3r s HIS 109 Cb 0.00 0.53 0.91 0.00 -0.13 0.00 0.00 32.58 33.89 2q3r s HIS 109 CO 0.00 -0.44 1.72 1.33 -2.47 0.00 0.00 174.74 174.88 2q3r n VAL 110 N 4.70 0.71 0.00 0.89 0.24 -0.52 -0.55 118.33 123.79 2q3r n VAL 110 Ca -0.14 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2q3r n VAL 110 Cb 0.54 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 2q3r n VAL 110 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2q3r n GLY 111 N 0.52 3.52 0.28 7.63 0.00 -1.26 -1.16 105.19 114.73 2q3r n GLY 111 Ca 0.04 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.47 1.61 0.11 -1.85 -3.33 114.38 107.44 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 2.95 0.28 0.10 0.00 0.00 179.97 183.36 2q3r n VAL 113 N -3.30 2.94 -2.89 0.08 0.31 -0.31 -4.62 118.33 110.54 2q3r n VAL 113 Ca -0.01 -1.87 0.00 0.00 -0.01 0.00 0.00 64.34 62.45 2q3r n VAL 113 Cb 0.23 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 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 4.53 0.00 -3.44 4.52 2.88 -1.25 -4.14 113.62 116.71 2q3r n SER 114 Ca 0.55 -0.75 -0.04 0.00 -1.33 0.00 0.00 58.87 57.30 2q3r n SER 114 Cb 0.20 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.25 -0.05 0.41 -3.46 6.03 -1.26 -3.38 114.94 112.97 2q3r s ASN 115 Ca 0.00 -0.64 0.13 0.00 -1.03 0.00 0.00 52.86 51.32 2q3r s ASN 115 Cb 0.00 0.54 0.97 0.00 -3.03 0.00 0.00 41.25 39.73 2q3r s ASN 115 CO 0.00 -1.04 1.94 0.77 -2.03 0.00 0.00 177.10 176.74 2q3r h SER 116 N 2.00 0.45 0.02 3.54 4.64 -1.83 0.85 113.55 123.21 2q3r h SER 116 Ca -0.27 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2q3r h SER 116 Cb 1.23 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2q3r h SER 116 CO 0.33 0.26 -0.00 1.23 -0.87 0.00 0.00 176.83 177.77 2q3r h GLY 117 N 0.49 0.00 -1.04 -0.77 0.00 -1.92 -2.06 103.07 97.77 2q3r h GLY 117 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2q3r h GLY 117 CO -0.11 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.12 2q3r n PHE 118 N -3.59 0.06 -4.59 5.60 3.72 0.23 -5.00 117.46 113.89 2q3r n PHE 118 Ca -0.03 -0.06 -0.34 0.00 -0.05 0.00 0.00 57.45 56.97 2q3r n PHE 118 Cb 0.08 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.02 2.82 0.54 -1.08 -1.52 -0.77 -4.72 119.66 113.90 2q3r s GLN 119 Ca 0.16 -0.53 -0.21 0.00 -1.95 0.00 0.00 55.36 52.82 2q3r s GLN 119 Cb 0.11 -2.63 -0.06 0.00 -0.22 0.00 0.00 33.01 30.21 2q3r s GLN 119 CO 0.16 0.64 1.14 -2.30 -0.25 0.00 0.00 175.29 174.68 2q3r n PRO 120 N 2.29 1.33 -1.09 2.91 -0.02 -1.26 -1.14 135.00 138.02 2q3r n PRO 120 Ca -0.18 0.49 -0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2q3r n PRO 120 Cb 0.53 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.60 -4.66 -1.58 2.55 3.02 -1.26 -1.48 115.26 111.25 2q3r n ASN 121 Ca 0.11 0.17 -0.20 0.00 -0.03 0.00 0.00 54.58 54.64 2q3r n ASN 121 Cb 0.44 -3.37 -0.09 0.00 -0.61 0.00 0.00 39.78 36.16 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 0.34 1.94 3.76 7.41 0.00 -0.29 -4.95 105.19 113.38 2q3r n GLY 122 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.72 1.99 0.58 1.61 1.02 -0.55 -4.68 119.74 115.99 2q3r s LYS 123 Ca 0.00 1.06 -0.20 0.00 0.02 0.00 0.00 55.97 56.85 2q3r s LYS 123 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2q3r s LYS 123 CO 0.00 -1.80 1.25 0.00 -0.92 0.00 0.00 175.35 173.88 2q3r s ALA 124 N -2.92 2.63 0.85 5.17 0.00 -1.26 -4.41 121.76 121.82 2q3r s ALA 124 Ca 0.62 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 2q3r s ALA 124 Cb -0.17 -3.49 0.11 0.00 0.00 0.00 0.00 23.12 19.57 2q3r s ALA 124 CO 0.56 -1.22 1.13 -2.14 0.00 0.00 0.00 175.76 174.09 2q3r s PRO 125 N -3.17 1.54 0.16 0.00 0.02 -1.26 -4.73 135.00 127.56 2q3r s PRO 125 Ca 0.75 1.41 0.07 0.00 0.02 0.00 0.00 61.00 63.26 2q3r s PRO 125 Cb -0.34 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 2q3r s PRO 125 CO 0.37 -2.22 -0.03 0.96 -0.33 0.00 0.00 177.00 175.76 2q3r s ILE 126 N -2.73 3.61 0.13 2.83 -4.36 -1.26 -1.14 121.20 118.28 2q3r s ILE 126 Ca 0.65 -1.41 -0.04 0.00 -0.26 0.00 0.00 60.65 59.58 2q3r s ILE 126 Cb -0.21 -2.79 0.02 0.00 1.25 0.00 0.00 42.46 40.73 2q3r s ILE 126 CO 0.57 -0.07 0.24 -0.24 0.24 0.00 0.00 174.94 175.68 2q3r n SER 127 N 0.06 -0.71 0.14 4.36 2.88 -0.96 -2.73 113.62 116.67 2q3r n SER 127 Ca -0.10 -1.53 0.04 0.00 -1.33 0.00 0.00 58.87 55.95 2q3r n SER 127 Cb 0.55 1.19 0.04 0.00 -0.75 0.00 0.00 64.21 65.23 2q3r n SER 127 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2q3r n SER 129 N -3.17 0.17 -1.16 0.00 3.41 -1.26 -4.35 113.62 107.26 2q3r n SER 129 Ca 0.02 -2.03 -0.01 0.00 -0.26 0.00 0.00 58.87 56.59 2q3r n SER 129 Cb 0.71 0.68 0.23 0.00 -0.26 0.00 0.00 64.21 65.56 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 -2.18 3.20 -4.66 4.04 5.75 -1.26 -3.73 116.55 117.71 2q3r n ASP 130 Ca 0.01 -3.45 -0.43 0.00 -0.01 0.00 0.00 54.79 50.92 2q3r n ASP 130 Cb 0.29 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 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 -3.08 4.25 0.38 0.11 1.02 -1.26 -4.69 119.74 116.47 2q3r s LYS 131 Ca 0.45 1.47 -0.27 0.00 0.02 0.00 0.00 55.97 57.64 2q3r s LYS 131 Cb 0.39 -3.68 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 2q3r s LYS 131 CO 0.05 -0.65 1.33 -1.25 -0.92 0.00 0.00 175.35 173.90 2q3r s PRO 132 N 3.29 4.09 -0.19 -1.68 0.04 -1.26 -4.63 135.00 134.66 2q3r s PRO 132 Ca 0.48 2.24 -0.14 0.00 0.04 0.00 0.00 61.00 63.61 2q3r s PRO 132 Cb -0.18 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2q3r s PRO 132 CO 0.09 -0.42 0.33 -1.17 0.04 0.00 0.00 177.00 175.87 2q3r s LEU 133 N -2.21 4.18 -1.26 -3.56 2.96 -1.26 -4.53 118.68 113.00 2q3r s LEU 133 Ca 0.54 0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 54.62 2q3r s LEU 133 Cb -0.40 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 43.92 2q3r s LEU 133 CO 0.52 0.01 0.59 0.23 -1.32 0.00 0.00 176.35 176.38 2q3r n MET 134 N 4.13 -0.50 -0.33 1.98 2.81 -1.26 -4.52 117.12 119.42 2q3r n MET 134 Ca -0.11 0.12 0.28 0.00 -1.81 0.00 0.00 57.70 56.18 2q3r n MET 134 Cb 0.51 -2.86 0.60 0.00 -0.71 0.00 0.00 33.22 30.77 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 -2.45 0.23 0.00 0.03 0.13 -1.95 0.21 132.00 128.20 2q3r h PRO 135 Ca -0.70 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2q3r h PRO 135 Cb 1.40 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2q3r h PRO 135 CO 0.54 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 2q3r n GLN 136 N -4.48 0.00 -3.93 0.86 0.00 -1.26 -4.63 117.38 103.95 2q3r n GLN 136 Ca 0.26 0.40 -0.35 0.00 0.00 0.00 0.00 57.00 57.31 2q3r n GLN 136 Cb 1.04 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 29.65 2q3r n GLN 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2q3r s ILE 137 N -2.99 3.99 0.33 -0.39 1.01 0.73 -5.06 121.20 118.81 2q3r s ILE 137 Ca 0.03 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2q3r s ILE 137 Cb 0.04 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 2q3r s ILE 137 CO 0.10 0.40 -0.02 -0.13 0.00 0.00 0.00 174.94 175.28 2q3r s ARG 138 N 1.29 2.03 0.98 2.79 3.00 -1.26 0.57 118.95 128.35 2q3r s ARG 138 Ca 0.04 -1.73 -0.12 0.00 0.00 0.00 0.00 55.73 53.92 2q3r s ARG 138 Cb -0.15 -1.92 0.18 0.00 0.00 0.00 0.00 34.95 33.07 2q3r s ARG 138 CO 0.01 0.18 1.09 -1.12 0.00 0.00 0.00 175.30 175.47 2q3r s SER 139 N -3.68 2.73 -0.12 0.23 0.01 0.18 -4.55 113.70 108.50 2q3r s SER 139 Ca 0.34 1.30 -0.39 0.00 1.31 0.00 0.00 55.95 58.50 2q3r s SER 139 Cb -0.01 -1.97 -0.17 0.00 0.21 0.00 0.00 66.02 64.07 2q3r s SER 139 CO 0.19 -3.08 1.49 -3.20 0.41 0.00 0.00 173.24 169.05 2q3r n ASN 140 N -4.15 1.69 0.00 2.44 2.85 -1.26 -3.49 115.26 113.34 2q3r n ASN 140 Ca 0.06 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.64 2q3r n ASN 140 Cb 0.56 -1.11 0.00 0.00 1.24 0.00 0.00 39.78 40.48 2q3r n ASN 140 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2q3r n GLY 141 N 3.19 0.85 3.49 8.20 0.00 -1.26 -4.90 105.19 114.75 2q3r n GLY 141 Ca 0.23 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2q3r n GLY 141 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2q3r n ILE 142 N 0.00 2.04 0.22 -0.61 5.41 -1.23 -4.83 119.36 120.36 2q3r n ILE 142 Ca 0.00 -0.50 0.01 0.00 1.00 0.00 0.00 62.75 63.26 2q3r n ILE 142 Cb 0.00 -0.70 0.15 0.00 -0.71 0.00 0.00 39.64 38.38 2q3r n ILE 142 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2q3r n ASP 143 N 0.94 2.97 -4.66 4.38 3.85 -1.26 -4.08 116.55 118.70 2q3r n ASP 143 Ca 0.11 -2.42 -0.41 0.00 -0.71 0.00 0.00 54.79 51.37 2q3r n ASP 143 Cb 0.41 -0.58 -0.05 0.00 -1.35 0.00 0.00 41.12 39.55 2q3r n ASP 143 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 2q3r s GLU 144 N -1.65 4.23 0.26 0.11 2.12 -1.26 -4.95 118.70 117.55 2q3r s GLU 144 Ca 0.22 0.83 -0.28 0.00 0.36 0.00 0.00 54.97 56.11 2q3r s GLU 144 Cb 0.17 -3.59 -0.15 0.00 0.26 0.00 0.00 34.13 30.81 2q3r s GLU 144 CO 0.06 -0.34 0.77 0.00 -0.54 0.00 0.00 175.26 175.21 2q3r n ALA 145 N 5.35 -1.47 -0.05 6.30 0.00 -1.26 -0.65 120.51 128.73 2q3r n ALA 145 Ca 0.02 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.75 2q3r n ALA 145 Cb 0.49 -1.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 2q3r n ALA 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2q3r h LEU 146 N 1.49 0.24 -8.30 0.00 5.85 -0.11 -3.38 115.31 111.10 2q3r h LEU 146 Ca -0.34 -0.22 -0.73 0.00 0.84 0.00 0.00 57.88 57.42 2q3r h LEU 146 Cb 1.39 -0.06 -0.23 0.00 0.37 0.00 0.00 40.66 42.12 2q3r h LEU 146 CO 0.59 0.40 -0.37 -0.36 -0.34 0.00 0.00 178.44 178.35 2q3r s PHE 147 N -5.32 3.26 -0.07 1.25 0.40 -1.26 -4.74 117.98 111.48 2q3r s PHE 147 Ca -0.14 -0.98 -0.35 0.00 -0.60 0.00 0.00 56.93 54.86 2q3r s PHE 147 Cb 0.06 -3.03 -0.13 0.00 0.51 0.00 0.00 43.02 40.43 2q3r s PHE 147 CO 0.71 -0.77 1.80 2.41 0.70 0.00 0.00 175.22 180.06 2q3r n THR 148 N 5.14 0.44 -1.57 0.64 -1.04 -1.22 -4.57 114.28 112.11 2q3r n THR 148 Ca -0.12 -0.08 -0.49 0.00 -2.04 0.00 0.00 64.05 61.32 2q3r n THR 148 Cb 0.44 -1.70 -0.04 0.00 -1.82 0.00 0.00 70.33 67.21 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 5.86 1.06 -2.58 -2.82 -0.02 -1.26 -4.41 135.00 130.83 2q3r n PRO 149 Ca 0.22 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 2q3r n PRO 149 Cb 0.27 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.39 3.90 -0.11 0.52 0.04 -1.26 -4.41 135.00 133.30 2q3r s PRO 150 Ca 0.74 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 2q3r s PRO 150 Cb -0.87 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 2q3r s PRO 150 CO 0.53 -0.33 0.52 0.50 0.04 0.00 0.00 177.00 178.26 2q3r s ARG 151 N -3.34 4.36 0.06 4.56 3.52 -0.29 -4.29 118.95 123.53 2q3r s ARG 151 Ca 0.65 0.54 -0.31 0.00 -0.13 0.00 0.00 55.73 56.48 2q3r s ARG 151 Cb -0.14 -3.44 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 2q3r s ARG 151 CO 0.20 0.14 1.33 0.50 -0.81 0.00 0.00 175.30 176.65 2q3r s ARG 152 N 0.67 4.34 0.26 5.12 3.52 -1.24 -2.26 118.95 129.35 2q3r s ARG 152 Ca 0.28 1.93 -0.30 0.00 -0.13 0.00 0.00 55.73 57.52 2q3r s ARG 152 Cb -0.16 -3.38 -0.09 0.00 -1.56 0.00 0.00 34.95 29.76 2q3r s ARG 152 CO 0.12 -0.42 1.07 -0.51 -0.81 0.00 0.00 175.30 174.75 2q3r s LEU 153 N 1.51 4.56 0.45 -0.88 1.43 -0.93 -4.97 118.68 119.86 2q3r s LEU 153 Ca 0.62 2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 55.68 2q3r s LEU 153 Cb -0.33 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 2q3r s LEU 153 CO 0.28 -0.10 1.07 -0.83 0.23 0.00 0.00 176.35 177.01 2q3r s GLY 154 N -0.80 2.65 0.53 -3.19 0.00 -1.26 -4.92 107.32 100.33 2q3r s GLY 154 Ca 0.45 0.72 0.20 0.00 0.00 0.00 0.00 44.72 46.09 2q3r s GLY 154 CO 0.38 1.10 2.12 1.19 0.00 0.00 0.00 173.10 177.90 2q3r h ILE 155 N 1.83 0.85 0.00 0.90 2.10 -2.02 -0.45 117.51 120.72 2q3r h ILE 155 Ca -0.49 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.42 2q3r h ILE 155 Cb 1.23 0.93 -0.00 0.00 -1.09 0.00 0.00 36.82 37.88 2q3r h ILE 155 CO 0.60 0.00 -0.12 -0.33 -1.08 0.00 0.00 178.15 177.22 2q3r h GLU 156 N 0.00 0.00 0.00 2.19 5.08 -2.05 -3.10 114.58 116.70 2q3r h GLU 156 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2q3r h GLU 156 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2q3r h GLU 156 CO -0.00 0.12 -0.12 0.93 -1.00 0.00 0.00 179.01 178.95 2q3r h GLU 157 N 0.00 0.00 -0.44 2.33 5.08 -1.44 -3.34 114.58 116.78 2q3r h GLU 157 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2q3r h GLU 157 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2q3r h GLU 157 CO 0.02 0.12 -0.07 0.82 -1.00 0.00 0.00 179.01 178.89 2q3r h ILE 158 N 0.00 1.27 -0.72 3.13 2.04 -1.55 -2.63 117.51 119.06 2q3r h ILE 158 Ca -0.00 -1.16 0.07 0.00 1.00 0.00 0.00 64.86 64.77 2q3r h ILE 158 Cb 0.96 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 2q3r h ILE 158 CO 0.01 0.40 0.47 -0.65 0.00 0.00 0.00 178.15 178.38 2q3r h PRO 159 N 0.65 0.70 -0.26 2.37 0.11 -1.75 0.17 132.00 133.98 2q3r h PRO 159 Ca 0.12 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 2q3r h PRO 159 Cb 0.59 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2q3r h PRO 159 CO 0.04 0.46 -0.14 0.78 -0.21 0.00 0.00 178.00 178.92 2q3r h GLY 160 N 0.72 0.61 1.31 -0.55 0.00 -1.72 -1.29 103.07 102.14 2q3r h GLY 160 Ca 0.31 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 2q3r h GLY 160 CO -0.11 0.51 0.05 -2.22 0.00 0.00 0.00 176.54 174.76 2q3r h ILE 161 N 0.29 1.24 0.00 2.60 2.04 -1.03 0.17 117.51 122.82 2q3r h ILE 161 Ca 0.06 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2q3r h ILE 161 Cb 0.66 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2q3r h ILE 161 CO 0.04 0.35 -0.03 0.58 0.00 0.00 0.00 178.15 179.09 2q3r h VAL 162 N 0.80 0.15 0.00 1.67 2.07 -0.53 -1.00 116.25 119.41 2q3r h VAL 162 Ca 0.16 -0.29 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 2q3r h VAL 162 Cb 0.42 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2q3r h VAL 162 CO 0.01 0.03 -1.11 -1.13 0.02 0.00 0.00 177.57 175.39 2q3r h ASN 163 N 0.00 0.00 0.32 0.57 -0.73 0.47 -3.12 115.58 113.10 2q3r h ASN 163 Ca -0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 2q3r h ASN 163 Cb 0.24 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 2q3r h ASN 163 CO 0.00 0.60 -0.32 0.44 -0.37 0.00 0.00 177.43 177.78 2q3r h ASP 164 N 0.00 0.00 -0.02 1.15 3.32 0.31 -1.12 116.42 120.06 2q3r h ASP 164 Ca -0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 2q3r h ASP 164 Cb 1.55 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.11 2q3r h ASP 164 CO 0.06 0.32 -0.45 -0.26 -1.72 0.00 0.00 179.24 177.19 2q3r h PHE 165 N 0.00 0.48 -0.74 4.55 -1.00 -1.57 -1.66 116.94 117.00 2q3r h PHE 165 Ca -0.00 -0.25 0.02 0.00 2.81 0.00 0.00 57.97 60.55 2q3r h PHE 165 Cb 0.57 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 40.03 2q3r h PHE 165 CO 0.00 1.05 0.49 -0.09 -1.61 0.00 0.00 178.31 178.15 2q3r h ARG 166 N -0.23 0.93 -0.32 1.51 2.43 -1.43 -1.13 114.38 116.15 2q3r h ARG 166 Ca -0.05 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 2q3r h ARG 166 Cb 1.16 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2q3r h ARG 166 CO 0.09 0.62 -0.28 1.25 -1.51 0.00 0.00 179.97 180.13 2q3r h LEU 167 N 0.96 0.80 -1.28 3.80 5.85 -1.22 -2.40 115.31 121.83 2q3r h LEU 167 Ca 0.28 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2q3r h LEU 167 Cb -0.04 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2q3r h LEU 167 CO -0.07 1.09 0.50 0.00 -0.34 0.00 0.00 178.44 179.62 2q3r h ALA 168 N 0.73 1.51 -0.56 1.25 0.00 -0.75 0.17 119.26 121.62 2q3r h ALA 168 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2q3r h ALA 168 Cb 0.85 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2q3r h ALA 168 CO 0.07 0.43 0.20 0.00 0.00 0.00 0.00 179.25 179.95 2q3r h ALA 169 N 1.55 1.30 -0.28 0.00 0.00 -0.96 -0.48 119.26 120.39 2q3r h ALA 169 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2q3r h ALA 169 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2q3r h ALA 169 CO -0.07 0.51 0.12 -0.09 0.00 0.00 0.00 179.25 179.72 2q3r h ARG 170 N 0.80 0.41 0.00 0.00 9.65 -0.22 -2.30 114.38 122.71 2q3r h ARG 170 Ca 0.19 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.94 2q3r h ARG 170 Cb 0.20 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2q3r h ARG 170 CO -0.01 0.41 -0.31 -0.91 2.80 0.00 0.00 179.97 181.95 2q3r h ASN 171 N 0.31 0.00 0.23 -3.80 4.21 -0.73 -1.47 115.58 114.32 2q3r h ASN 171 Ca 0.09 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 2q3r h ASN 171 Cb 0.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 2q3r h ASN 171 CO -0.01 0.31 -0.11 0.00 -1.29 0.00 0.00 177.43 176.34 2q3r h ALA 172 N 1.69 -0.30 -0.86 -0.83 0.00 -0.71 -0.94 119.26 117.30 2q3r h ALA 172 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2q3r h ALA 172 Cb 0.58 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2q3r h ALA 172 CO 0.04 -0.65 0.54 0.52 0.00 0.00 0.00 179.25 179.71 2q3r h MET 173 N -0.35 0.98 -0.87 0.00 2.86 -1.12 -1.38 114.93 115.05 2q3r h MET 173 Ca -0.03 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2q3r h MET 173 Cb 0.27 -0.22 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 2q3r h MET 173 CO 0.05 0.65 0.57 1.49 1.06 0.00 0.00 176.91 180.73 2q3r h GLU 174 N 1.01 0.91 0.00 1.72 4.81 -0.75 0.20 114.58 122.48 2q3r h GLU 174 Ca 0.36 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2q3r h GLU 174 Cb 0.10 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2q3r h GLU 174 CO -0.15 0.60 0.00 0.00 -0.73 0.00 0.00 179.01 178.73 2q3r n ALA 175 N -2.41 2.19 0.00 2.92 0.00 -0.41 -4.92 120.51 117.89 2q3r n ALA 175 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2q3r n ALA 175 Cb 0.24 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.17 0.66 3.68 0.00 0.00 0.70 -4.04 105.19 107.36 2q3r n GLY 176 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.88 1.62 -0.01 1.61 3.01 -0.86 -4.92 117.46 116.02 2q3r n PHE 177 Ca 0.00 0.46 -0.17 0.00 1.01 0.00 0.00 57.45 58.75 2q3r n PHE 177 Cb 0.00 -2.27 -0.07 0.00 -0.01 0.00 0.00 39.48 37.13 2q3r n PHE 177 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2q3r h ASP 178 N 1.21 0.90 -2.43 4.37 3.32 -1.65 -3.41 116.42 118.73 2q3r h ASP 178 Ca -0.49 -0.61 -0.07 0.00 0.02 0.00 0.00 57.03 55.89 2q3r h ASP 178 Cb 1.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2q3r h ASP 178 CO 0.55 1.41 0.08 0.61 -1.72 0.00 0.00 179.24 180.16 2q3r n GLY 179 N 0.74 1.79 3.23 2.75 0.00 -1.21 -4.90 105.19 107.59 2q3r n GLY 179 Ca -0.08 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.54 1.60 -0.22 1.61 1.01 0.32 -1.82 120.40 120.36 2q3r s VAL 180 Ca 0.12 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2q3r s VAL 180 Cb -0.02 -1.37 0.05 0.00 0.00 0.00 0.00 36.38 35.04 2q3r s VAL 180 CO 0.09 0.28 -0.10 -0.70 0.00 0.00 0.00 175.10 174.66 2q3r s GLU 181 N -0.92 2.09 -0.04 2.72 2.12 -1.03 -0.02 118.70 123.62 2q3r s GLU 181 Ca 0.07 -0.97 -0.30 0.00 0.36 0.00 0.00 54.97 54.13 2q3r s GLU 181 Cb -0.08 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 2q3r s GLU 181 CO 0.01 -0.46 1.05 0.42 -0.54 0.00 0.00 175.26 175.74 2q3r s ILE 182 N 1.33 4.63 -1.14 -3.70 1.01 1.00 -1.12 121.20 123.20 2q3r s ILE 182 Ca -0.03 1.90 -0.17 0.00 0.00 0.00 0.00 60.65 62.35 2q3r s ILE 182 Cb -0.17 -4.22 0.12 0.00 0.01 0.00 0.00 42.46 38.20 2q3r s ILE 182 CO -0.08 0.07 1.44 -2.28 0.00 0.00 0.00 174.94 174.09 2q3r s HIS 183 N 1.57 3.12 -0.45 3.97 2.46 0.49 -0.70 115.29 125.74 2q3r s HIS 183 Ca 0.52 -1.68 0.04 0.00 0.47 0.00 0.00 55.06 54.41 2q3r s HIS 183 Cb -0.22 -4.46 0.63 0.00 -0.13 0.00 0.00 32.58 28.40 2q3r s HIS 183 CO 0.24 -1.59 1.87 0.41 -2.47 0.00 0.00 174.74 173.20 2q3r n GLY 184 N 5.09 4.71 0.00 1.59 0.00 -0.40 -4.57 105.19 111.62 2q3r n GLY 184 Ca 0.36 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.23 4.61 0.00 -1.12 -4.12 120.51 114.54 2q3r n ALA 185 Ca 0.57 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.66 2q3r n ALA 185 Cb 1.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.90 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 -1.28 -1.91 -0.11 0.00 3.02 -1.26 -2.28 115.26 111.44 2q3r n ASN 186 Ca 0.00 -1.08 -0.01 0.00 -0.03 0.00 0.00 54.58 53.45 2q3r n ASN 186 Cb 0.00 -2.49 -0.01 0.00 -0.61 0.00 0.00 39.78 36.67 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 -1.62 0.32 3.96 7.41 0.00 -1.24 -4.72 105.19 109.31 2q3r n GLY 187 Ca -0.05 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 2q3r n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q3r s TYR 188 N -1.50 1.92 0.15 1.61 2.02 -0.97 -4.52 117.35 116.07 2q3r s TYR 188 Ca 0.00 0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.65 2q3r s TYR 188 Cb 0.00 -3.38 0.14 0.00 -0.40 0.00 0.00 41.96 38.32 2q3r s TYR 188 CO 0.00 -1.91 1.01 -0.11 -1.57 0.00 0.00 175.55 172.97 2q3r n LEU 189 N -3.13 -0.45 -0.01 -1.29 7.94 0.28 0.48 117.00 120.83 2q3r n LEU 189 Ca 0.13 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 56.05 2q3r n LEU 189 Cb 0.60 -0.25 -0.08 0.00 0.53 0.00 0.00 43.42 44.23 2q3r n LEU 189 CO 0.46 -1.01 0.76 0.40 -1.11 0.00 0.00 177.39 176.88 2q3r h ILE 190 N 0.00 1.21 -0.55 1.96 2.04 -1.80 -2.45 117.51 117.92 2q3r h ILE 190 Ca 0.21 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.47 2q3r h ILE 190 Cb 0.38 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2q3r h ILE 190 CO -0.64 0.18 0.36 -0.78 0.00 0.00 0.00 178.15 177.27 2q3r h ASP 191 N -0.17 0.52 -0.34 1.72 3.58 -0.95 -0.01 116.42 120.78 2q3r h ASP 191 Ca 0.01 -0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.56 2q3r h ASP 191 Cb 0.28 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2q3r h ASP 191 CO 0.00 0.36 0.25 1.56 -2.88 0.00 0.00 179.24 178.53 2q3r h GLN 192 N 0.61 0.00 0.09 0.28 4.20 0.52 -1.71 115.11 119.10 2q3r h GLN 192 Ca 0.22 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.65 2q3r h GLN 192 Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2q3r h GLN 192 CO -0.06 0.00 -1.43 0.74 -0.67 0.00 0.00 178.83 177.41 2q3r h PHE 193 N 0.00 0.36 -0.11 2.96 -1.00 -0.86 -3.31 116.94 114.98 2q3r h PHE 193 Ca 0.16 -0.26 -0.11 0.00 2.81 0.00 0.00 57.97 60.58 2q3r h PHE 193 Cb 0.65 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.20 2q3r h PHE 193 CO 0.00 1.28 -0.34 0.52 -1.61 0.00 0.00 178.31 178.16 2q3r h MET 194 N 0.05 0.43 -6.36 1.51 2.86 -0.98 -3.43 114.93 109.01 2q3r h MET 194 Ca -0.20 -0.31 -0.54 0.00 -2.06 0.00 0.00 59.70 56.59 2q3r h MET 194 Cb 1.97 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.69 2q3r h MET 194 CO 0.16 0.93 0.99 0.15 1.06 0.00 0.00 176.91 180.19 2q3r s LYS 195 N -3.83 4.21 0.00 1.72 -0.14 -0.79 -4.83 119.74 116.08 2q3r s LYS 195 Ca -0.14 2.18 0.00 0.00 -1.36 0.00 0.00 55.97 56.65 2q3r s LYS 195 Cb 0.05 -3.73 0.00 0.00 -1.68 0.00 0.00 37.83 32.47 2q3r s LYS 195 CO 0.79 -0.73 0.57 -0.40 -0.76 0.00 0.00 175.35 174.82 2q3r n ASP 196 N 6.09 0.00 -0.07 2.83 5.75 -1.26 -1.51 116.55 128.39 2q3r n ASP 196 Ca 0.16 -1.14 0.05 0.00 -0.01 0.00 0.00 54.79 53.85 2q3r n ASP 196 Cb 0.42 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.50 0.00 -0.06 2.12 -2.24 -1.24 -4.65 114.28 107.72 2q3r n THR 197 Ca 0.00 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 2q3r n THR 197 Cb 0.00 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.93 0.67 -3.35 2.28 0.31 -0.57 -4.94 118.33 111.80 2q3r n VAL 198 Ca 0.03 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.63 2q3r n VAL 198 Cb 0.18 -0.87 -0.09 0.00 -0.91 0.00 0.00 33.84 32.15 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 -4.84 6.19 -0.26 4.52 2.47 -0.85 -4.50 114.94 117.67 2q3r s ASN 199 Ca -0.13 -0.57 0.10 0.00 0.42 0.00 0.00 52.86 52.68 2q3r s ASN 199 Cb 0.04 -2.21 0.47 0.00 -1.45 0.00 0.00 41.25 38.09 2q3r s ASN 199 CO 0.31 -0.51 1.35 -0.90 -3.72 0.00 0.00 177.10 173.63 2q3r n ASP 200 N 5.52 2.15 -4.78 -4.21 5.68 -1.26 -4.62 116.55 115.03 2q3r n ASP 200 Ca -0.08 -3.85 -0.33 0.00 -0.50 0.00 0.00 54.79 50.03 2q3r n ASP 200 Cb 0.48 -0.59 0.03 0.00 -1.14 0.00 0.00 41.12 39.91 2q3r n ASP 200 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2q3r s ARG 201 N -3.26 2.98 -0.23 0.11 0.52 -1.26 -4.82 118.95 112.99 2q3r s ARG 201 Ca 0.42 1.33 0.01 0.00 -0.52 0.00 0.00 55.73 56.97 2q3r s ARG 201 Cb 0.39 -1.98 -0.15 0.00 0.52 0.00 0.00 34.95 33.74 2q3r s ARG 201 CO -0.03 -1.10 -0.21 0.25 0.02 0.00 0.00 175.30 174.23 2q3r n THR 202 N -2.28 1.31 -0.51 0.02 -2.24 -1.26 -0.78 114.28 108.54 2q3r n THR 202 Ca 0.10 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 61.11 2q3r n THR 202 Cb 0.52 -1.34 0.21 0.00 -2.10 0.00 0.00 70.33 67.62 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 -3.22 -2.76 0.08 3.42 3.85 -1.26 -4.62 116.55 112.04 2q3r n ASP 203 Ca -0.41 -0.35 0.03 0.00 -0.71 0.00 0.00 54.79 53.36 2q3r n ASP 203 Cb 0.93 -0.97 0.16 0.00 -1.35 0.00 0.00 41.12 39.89 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 -3.28 0.04 -0.27 0.11 0.28 -1.26 -0.94 120.64 115.32 2q3r n GLU 204 Ca 0.04 0.42 0.09 0.00 -0.16 0.00 0.00 57.16 57.55 2q3r n GLU 204 Cb 0.54 -1.92 0.24 0.00 1.43 0.00 0.00 31.44 31.73 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 -1.65 0.72 -3.92 -1.84 4.01 -1.26 -4.34 117.16 108.89 2q3r n TYR 205 Ca -0.00 -0.36 -0.02 0.00 -0.16 0.00 0.00 57.90 57.35 2q3r n TYR 205 Cb 0.29 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.00 0.12 0.00 2.72 0.00 -0.12 -4.07 107.32 104.97 2q3r s GLY 206 Ca 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2q3r s GLY 206 CO 0.25 3.18 0.00 0.61 0.00 0.00 0.00 173.10 177.13 2q3r n GLY 207 N -0.75 0.77 3.54 0.20 0.00 0.04 -4.47 105.19 104.51 2q3r n GLY 207 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.63 -0.30 0.14 1.61 1.04 -1.26 -5.01 113.70 107.28 2q3r s SER 208 Ca 0.00 0.06 -0.21 0.00 0.48 0.00 0.00 55.95 56.28 2q3r s SER 208 Cb 0.00 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.44 2q3r s SER 208 CO 0.00 -0.47 1.66 0.25 0.98 0.00 0.00 173.24 175.66 2q3r h LEU 209 N 2.08 -0.48 0.26 2.42 5.85 -1.95 0.46 115.31 123.95 2q3r h LEU 209 Ca -0.18 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2q3r h LEU 209 Cb 1.21 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2q3r h LEU 209 CO 0.29 -0.19 -0.20 1.56 -0.34 0.00 0.00 178.44 179.56 2q3r h GLN 210 N -0.14 -0.45 -0.52 1.25 4.20 -1.97 -1.45 115.11 116.04 2q3r h GLN 210 Ca 0.12 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.96 2q3r h GLN 210 Cb 0.33 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2q3r h GLN 210 CO -0.30 -0.30 0.35 -0.91 -0.67 0.00 0.00 178.83 177.00 2q3r h ASN 211 N -0.46 0.27 0.13 1.46 4.21 -1.68 -1.71 115.58 117.80 2q3r h ASN 211 Ca -0.02 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.31 2q3r h ASN 211 Cb 0.41 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2q3r h ASN 211 CO -0.01 0.17 -0.73 0.03 -1.29 0.00 0.00 177.43 175.60 2q3r h ARG 212 N 0.31 0.52 -0.01 0.81 3.08 -0.28 -3.08 114.38 115.73 2q3r h ARG 212 Ca 0.24 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2q3r h ARG 212 Cb 0.53 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2q3r h ARG 212 CO -0.05 1.04 -0.03 0.00 -1.07 0.00 0.00 179.97 179.85 2q3r h LYS 214 N 0.88 1.22 0.43 0.00 3.64 -1.29 -2.01 116.57 119.44 2q3r h LYS 214 Ca 0.00 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2q3r h LYS 214 Cb 0.26 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2q3r h LYS 214 CO 0.00 0.94 -0.21 0.35 -2.27 0.00 0.00 179.45 178.26 2q3r h PHE 215 N 1.21 -0.53 -0.79 1.91 3.57 -1.76 -0.78 116.94 119.77 2q3r h PHE 215 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2q3r h PHE 215 Cb 0.12 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2q3r h PHE 215 CO 0.02 -0.30 0.42 -1.00 -2.23 0.00 0.00 178.31 175.22 2q3r h PRO 216 N -0.63 1.10 -0.35 6.41 0.13 -1.79 -2.27 132.00 134.60 2q3r h PRO 216 Ca -0.06 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.91 2q3r h PRO 216 Cb 0.47 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 2q3r h PRO 216 CO 0.10 0.82 0.09 -0.07 -0.23 0.00 0.00 178.00 178.71 2q3r h LEU 217 N 1.09 0.46 -0.74 1.56 3.38 -1.26 0.14 115.31 119.94 2q3r h LEU 217 Ca 0.28 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 2q3r h LEU 217 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2q3r h LEU 217 CO -0.04 0.46 -0.06 -0.33 0.09 0.00 0.00 178.44 178.56 2q3r h GLU 218 N 0.50 0.90 -0.21 1.13 5.08 -0.63 -0.10 114.58 121.25 2q3r h GLU 218 Ca 0.12 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 2q3r h GLU 218 Cb 0.18 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2q3r h GLU 218 CO -0.01 0.93 -0.24 0.82 -1.00 0.00 0.00 179.01 179.52 2q3r h ILE 219 N 0.82 1.33 -0.07 3.13 2.04 -0.78 -1.83 117.51 122.14 2q3r h ILE 219 Ca 0.14 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.60 2q3r h ILE 219 Cb 0.57 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2q3r h ILE 219 CO 0.03 0.44 -0.05 0.58 0.00 0.00 0.00 178.15 179.15 2q3r h VAL 220 N 0.21 0.86 -0.03 1.67 2.07 -0.86 -1.37 116.25 118.80 2q3r h VAL 220 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2q3r h VAL 220 Cb 0.80 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2q3r h VAL 220 CO 0.06 0.00 -0.49 -0.78 0.02 0.00 0.00 177.57 176.38 2q3r h ASP 221 N -0.05 -1.50 -0.20 0.57 3.58 -0.90 0.20 116.42 118.12 2q3r h ASP 221 Ca 0.04 0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.72 2q3r h ASP 221 Cb 0.11 0.58 -0.05 0.00 1.72 0.00 0.00 39.33 41.69 2q3r h ASP 221 CO -0.10 -0.49 -0.11 0.00 -2.88 0.00 0.00 179.24 175.66 2q3r h ALA 222 N -0.21 0.04 -0.25 -0.78 0.00 -1.16 -0.71 119.26 116.19 2q3r h ALA 222 Ca 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2q3r h ALA 222 Cb 0.69 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2q3r h ALA 222 CO -0.36 -0.54 0.15 0.28 0.00 0.00 0.00 179.25 178.78 2q3r h VAL 223 N -0.10 1.11 -0.60 0.00 2.07 -1.02 -1.29 116.25 116.41 2q3r h VAL 223 Ca 0.11 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2q3r h VAL 223 Cb 0.27 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2q3r h VAL 223 CO -0.26 0.10 0.35 0.00 0.02 0.00 0.00 177.57 177.78 2q3r h ALA 224 N 1.04 1.49 -0.32 1.67 0.00 -0.29 -1.15 119.26 121.70 2q3r h ALA 224 Ca 0.09 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2q3r h ALA 224 Cb 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2q3r h ALA 224 CO -0.02 0.44 -0.46 0.87 0.00 0.00 0.00 179.25 180.08 2q3r h LYS 225 N 0.82 0.84 0.59 0.00 1.57 -0.90 0.46 116.57 119.96 2q3r h LYS 225 Ca 0.22 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 2q3r h LYS 225 Cb -0.02 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.33 2q3r h LYS 225 CO -0.04 1.11 -0.29 1.49 -0.57 0.00 0.00 179.45 181.16 2q3r h GLU 226 N 0.67 -0.77 -0.62 3.15 4.57 -0.29 -3.34 114.58 117.95 2q3r h GLU 226 Ca 0.04 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2q3r h GLU 226 Cb 1.04 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2q3r h GLU 226 CO 0.10 -0.51 0.00 0.44 -1.18 0.00 0.00 179.01 177.86 2q3r n ILE 227 N -4.20 1.00 0.00 2.32 -5.35 -0.53 -5.07 119.36 107.53 2q3r n ILE 227 Ca -0.10 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 2q3r n ILE 227 Cb 0.31 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 1.32 -2.37 0.34 3.28 0.00 0.16 -4.52 105.19 103.39 2q3r n GLY 228 Ca 0.21 -1.07 0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.00 1.61 0.13 -1.79 -2.14 132.00 129.81 2q3r h PRO 229 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2q3r h PRO 229 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2q3r h PRO 229 CO 0.00 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.37 2q3r n ASP 230 N -3.15 0.00 -0.10 1.44 5.68 -1.26 -0.52 116.55 118.64 2q3r n ASP 230 Ca -0.03 -0.08 0.03 0.00 -0.50 0.00 0.00 54.79 54.21 2q3r n ASP 230 Cb 0.14 -0.22 0.04 0.00 -1.14 0.00 0.00 41.12 39.94 2q3r n ASP 230 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2q3r n ARG 231 N -1.22 1.44 -4.78 0.11 1.74 -0.81 -4.64 116.66 108.50 2q3r n ARG 231 Ca 0.09 -1.49 -0.33 0.00 -0.77 0.00 0.00 57.85 55.35 2q3r n ARG 231 Cb 0.11 -0.95 -0.14 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.12 3.10 0.25 1.55 1.01 -0.93 -0.52 120.40 123.74 2q3r s VAL 232 Ca 0.08 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2q3r s VAL 232 Cb 0.07 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2q3r s VAL 232 CO 0.01 0.53 -0.03 -0.83 0.00 0.00 0.00 175.10 174.78 2q3r s GLY 233 N 0.18 1.66 -0.01 4.51 0.00 0.97 -0.37 107.32 114.27 2q3r s GLY 233 Ca -0.07 -1.82 -0.01 0.00 0.00 0.00 0.00 44.72 42.82 2q3r s GLY 233 CO 0.05 -1.74 0.03 -1.50 0.00 0.00 0.00 173.10 169.93 2q3r s ILE 234 N -3.24 0.02 -0.13 0.90 2.07 -1.02 -0.00 121.20 119.80 2q3r s ILE 234 Ca 0.29 -0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.33 2q3r s ILE 234 Cb 0.05 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.51 2q3r s ILE 234 CO 0.10 -0.09 -0.01 -0.60 -1.91 0.00 0.00 174.94 172.43 2q3r s ARG 235 N -0.25 3.40 0.11 3.50 3.52 0.12 -0.19 118.95 129.16 2q3r s ARG 235 Ca -0.03 -0.45 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 2q3r s ARG 235 Cb -0.02 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 2q3r s ARG 235 CO -0.00 0.45 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.34 2q3r s LEU 236 N -0.20 2.45 -0.41 -0.88 1.43 0.48 -1.27 118.68 120.27 2q3r s LEU 236 Ca 0.05 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.36 2q3r s LEU 236 Cb -0.13 -0.30 0.32 0.00 0.03 0.00 0.00 46.19 46.12 2q3r s LEU 236 CO 0.02 -0.29 0.86 -1.54 0.23 0.00 0.00 176.35 175.62 2q3r n SER 237 N 0.31 -0.55 0.08 2.29 3.41 -1.26 -2.65 113.62 115.24 2q3r n SER 237 Ca -0.14 -3.24 0.07 0.00 -0.26 0.00 0.00 58.87 55.30 2q3r n SER 237 Cb 0.59 0.41 0.35 0.00 -0.26 0.00 0.00 64.21 65.29 2q3r n SER 237 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2q3r n PRO 238 N 0.48 0.08 -0.41 4.33 -0.04 -1.26 -2.11 135.00 136.07 2q3r n PRO 238 Ca 0.17 0.46 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 2q3r n PRO 238 Cb 0.66 -1.71 0.33 0.00 -0.04 0.00 0.00 33.50 32.73 2q3r n PRO 238 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2q3r n PHE 239 N -1.88 1.07 -4.34 0.54 3.01 -1.26 -4.51 117.46 110.07 2q3r n PHE 239 Ca 0.01 -0.52 -0.27 0.00 1.01 0.00 0.00 57.45 57.67 2q3r n PHE 239 Cb 0.10 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 39.45 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 -1.16 3.69 -0.02 4.37 0.00 -0.90 -4.79 121.76 122.95 2q3r s ALA 240 Ca 0.49 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.79 2q3r s ALA 240 Cb 0.27 -0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.28 2q3r s ALA 240 CO 0.31 -0.16 1.04 -0.40 0.00 0.00 0.00 175.76 176.56 2q3r n ASP 241 N -1.24 0.40 -4.62 0.00 5.68 -1.26 -4.05 116.55 111.45 2q3r n ASP 241 Ca -0.06 -2.14 -0.48 0.00 -0.50 0.00 0.00 54.79 51.62 2q3r n ASP 241 Cb 0.66 -0.24 -0.04 0.00 -1.14 0.00 0.00 41.12 40.35 2q3r n ASP 241 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2q3r n TYR 242 N -0.08 1.76 -3.42 2.11 9.36 -1.26 -1.76 117.16 123.86 2q3r n TYR 242 Ca 0.03 0.53 -0.17 0.00 3.32 0.00 0.00 57.90 61.60 2q3r n TYR 242 Cb 0.76 -2.39 0.09 0.00 -0.63 0.00 0.00 39.34 37.17 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 2.38 -6.08 -4.02 2.98 2.81 -1.26 -3.23 117.12 110.71 2q3r n MET 243 Ca 0.16 0.84 -0.36 0.00 -1.81 0.00 0.00 57.70 56.53 2q3r n MET 243 Cb 0.25 -5.84 -0.01 0.00 -0.71 0.00 0.00 33.22 26.92 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 -4.04 -1.26 -0.89 0.03 1.02 -0.73 -4.84 120.64 109.94 2q3r n GLU 244 Ca -0.27 0.23 0.02 0.00 -0.02 0.00 0.00 57.16 57.13 2q3r n GLU 244 Cb 0.66 -3.53 0.17 0.00 -0.02 0.00 0.00 31.44 28.72 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 -2.60 2.01 -4.75 1.62 3.41 -0.91 -4.80 113.62 107.59 2q3r n SER 245 Ca -0.20 -3.67 -0.32 0.00 -0.26 0.00 0.00 58.87 54.42 2q3r n SER 245 Cb 0.62 -0.48 0.09 0.00 -0.26 0.00 0.00 64.21 64.18 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 -3.17 1.84 -0.07 5.00 0.00 -1.26 -4.50 107.32 105.16 2q3r s GLY 246 Ca 0.39 0.42 0.04 0.00 0.00 0.00 0.00 44.72 45.56 2q3r s GLY 246 CO -0.07 0.78 -0.19 -0.35 0.00 0.00 0.00 173.10 173.28 2q3r s ASP 247 N -3.01 2.44 0.49 1.64 -1.08 -1.26 -3.69 116.67 112.20 2q3r s ASP 247 Ca 0.64 -0.42 0.25 0.00 -0.52 0.00 0.00 52.55 52.49 2q3r s ASP 247 Cb -0.19 -0.99 1.27 0.00 -1.46 0.00 0.00 42.92 41.55 2q3r s ASP 247 CO 0.52 0.12 2.00 0.71 0.52 0.00 0.00 175.17 179.05 2q3r h THR 248 N 5.64 0.67 -2.05 1.71 1.35 -1.96 -3.26 112.91 115.01 2q3r h THR 248 Ca -0.27 -0.70 -0.55 0.00 -0.55 0.00 0.00 66.41 64.33 2q3r h THR 248 Cb 1.20 1.44 -0.40 0.00 -1.73 0.00 0.00 68.15 68.67 2q3r h THR 248 CO 0.47 0.16 -1.01 -3.20 -0.25 0.00 0.00 175.52 171.69 2q3r n ASN 249 N -3.69 1.17 -0.32 5.36 2.85 -1.26 -4.97 115.26 114.41 2q3r n ASN 249 Ca -0.02 -2.94 0.04 0.00 -0.11 0.00 0.00 54.58 51.55 2q3r n ASN 249 Cb 0.28 -0.64 0.19 0.00 1.24 0.00 0.00 39.78 40.85 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 3.77 0.86 -0.78 1.20 0.13 -1.79 -2.33 132.00 133.05 2q3r h PRO 250 Ca 0.10 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.28 2q3r h PRO 250 Cb 0.84 -0.19 -0.07 0.00 0.13 0.00 0.00 31.00 31.70 2q3r h PRO 250 CO 0.55 0.57 0.43 0.78 -0.23 0.00 0.00 178.00 180.10 2q3r h GLY 251 N 0.88 1.20 1.01 1.56 0.00 -1.93 0.83 103.07 106.62 2q3r h GLY 251 Ca 0.43 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 2q3r h GLY 251 CO -0.24 0.10 0.07 0.00 0.00 0.00 0.00 176.54 176.46 2q3r h ALA 252 N 1.45 0.70 0.36 3.60 0.00 -1.85 -1.12 119.26 122.39 2q3r h ALA 252 Ca 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2q3r h ALA 252 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2q3r h ALA 252 CO -0.26 0.46 -0.17 1.25 0.00 0.00 0.00 179.25 180.53 2q3r h LEU 253 N 0.77 -0.40 -1.64 0.00 5.85 -1.18 -0.18 115.31 118.51 2q3r h LEU 253 Ca 0.16 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2q3r h LEU 253 Cb 0.43 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2q3r h LEU 253 CO 0.01 -0.22 0.31 1.23 -0.34 0.00 0.00 178.44 179.43 2q3r h GLY 254 N -0.56 0.54 0.16 3.75 0.00 -0.72 -1.84 103.07 104.39 2q3r h GLY 254 Ca -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2q3r h GLY 254 CO 0.08 0.15 -0.06 -2.00 0.00 0.00 0.00 176.54 174.71 2q3r h LEU 255 N 0.45 0.04 -0.80 3.11 5.85 -1.05 -2.97 115.31 119.94 2q3r h LEU 255 Ca 0.20 -0.89 0.09 0.00 0.84 0.00 0.00 57.88 58.12 2q3r h LEU 255 Cb 0.21 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 2q3r h LEU 255 CO -0.05 0.93 0.45 0.22 -0.34 0.00 0.00 178.44 179.65 2q3r h TYR 256 N -0.84 0.82 -0.16 1.25 3.20 -0.79 -1.29 116.97 119.16 2q3r h TYR 256 Ca -0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2q3r h TYR 256 Cb 0.94 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2q3r h TYR 256 CO 0.24 0.34 0.00 0.52 -1.64 0.00 0.00 178.16 177.62 2q3r h MET 257 N 0.77 0.29 -0.01 1.82 2.86 -1.46 -0.64 114.93 118.56 2q3r h MET 257 Ca 0.39 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.94 2q3r h MET 257 Cb 0.35 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2q3r h MET 257 CO -0.24 0.50 -0.03 0.00 1.06 0.00 0.00 176.91 178.20 2q3r h ALA 258 N 0.78 -0.02 -0.58 6.32 0.00 -1.31 -0.35 119.26 124.10 2q3r h ALA 258 Ca 0.05 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2q3r h ALA 258 Cb 0.37 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2q3r h ALA 258 CO 0.01 -0.52 0.32 0.93 0.00 0.00 0.00 179.25 179.99 2q3r h GLU 259 N -0.04 0.60 0.00 0.00 5.08 -1.26 -0.00 114.58 118.96 2q3r h GLU 259 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2q3r h GLU 259 Cb 0.06 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2q3r h GLU 259 CO -0.03 0.40 0.00 0.77 -1.00 0.00 0.00 179.01 179.14 2q3r h SER 260 N 0.62 0.00 1.44 1.42 0.02 -0.54 -2.50 113.55 114.01 2q3r h SER 260 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2q3r h SER 260 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2q3r h SER 260 CO -0.14 0.00 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.07 2q3r h LEU 261 N 0.00 0.00 -0.30 5.07 3.38 0.74 -3.33 115.31 120.88 2q3r h LEU 261 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2q3r h LEU 261 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2q3r h LEU 261 CO 0.00 0.02 -0.02 0.78 0.09 0.00 0.00 178.44 179.30 2q3r h ASN 262 N 0.00 0.54 -0.76 -0.43 2.35 -1.34 -2.54 115.58 113.40 2q3r h ASN 262 Ca 0.00 -0.33 0.17 0.00 -0.55 0.00 0.00 56.30 55.59 2q3r h ASN 262 Cb 0.93 -0.14 -0.14 0.00 0.05 0.00 0.00 38.32 39.01 2q3r h ASN 262 CO 0.00 0.73 -0.09 0.50 -1.65 0.00 0.00 177.43 176.92 2q3r h LYS 263 N 0.33 0.04 0.00 0.81 3.64 -1.70 0.34 116.57 120.02 2q3r h LYS 263 Ca 0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2q3r h LYS 263 Cb 0.47 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2q3r h LYS 263 CO 0.02 0.03 0.00 1.88 -2.27 0.00 0.00 179.45 179.11 2q3r h TYR 264 N 0.04 0.00 -6.31 1.91 -1.99 -1.69 -3.47 116.97 105.46 2q3r h TYR 264 Ca 0.39 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.65 2q3r h TYR 264 Cb 0.66 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.35 2q3r h TYR 264 CO -0.51 0.00 -0.78 0.41 -0.00 0.00 0.00 178.16 177.28 2q3r n GLY 265 N 0.41 -0.45 3.83 3.88 0.00 0.12 -4.84 105.19 108.13 2q3r n GLY 265 Ca 0.02 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.38 1.99 0.09 -0.61 -4.36 -1.26 -4.46 121.20 109.20 2q3r s ILE 266 Ca 0.54 0.00 -0.25 0.00 -0.26 0.00 0.00 60.65 60.68 2q3r s ILE 266 Cb -0.27 -2.84 -0.16 0.00 1.25 0.00 0.00 42.46 40.43 2q3r s ILE 266 CO 0.84 0.00 1.71 0.25 0.24 0.00 0.00 174.94 177.98 2q3r h LEU 267 N -1.39 -0.20 -7.80 0.37 5.85 0.19 -3.44 115.31 108.89 2q3r h LEU 267 Ca -0.48 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 2q3r h LEU 267 Cb 1.32 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.30 2q3r h LEU 267 CO 0.61 -0.14 -0.04 -0.72 -0.34 0.00 0.00 178.44 177.81 2q3r s TYR 268 N -6.16 0.01 -0.13 1.25 -0.85 -1.18 -2.17 117.35 108.13 2q3r s TYR 268 Ca -0.14 -0.36 0.01 0.00 -0.52 0.00 0.00 57.07 56.06 2q3r s TYR 268 Cb 0.05 0.30 0.02 0.00 0.38 0.00 0.00 41.96 42.71 2q3r s TYR 268 CO 0.65 -0.89 -0.17 0.00 -1.52 0.00 0.00 175.55 173.62 2q3r s HIS 270 N 1.13 3.04 -0.02 0.00 2.46 0.74 -0.71 115.29 121.93 2q3r s HIS 270 Ca -0.02 -0.96 0.07 0.00 0.47 0.00 0.00 55.06 54.62 2q3r s HIS 270 Cb -0.14 -2.16 -0.02 0.00 -0.13 0.00 0.00 32.58 30.13 2q3r s HIS 270 CO -0.05 -0.55 -0.22 0.08 -2.47 0.00 0.00 174.74 171.53 2q3r s VAL 271 N 1.48 1.70 0.02 0.89 1.01 0.19 -0.39 120.40 125.31 2q3r s VAL 271 Ca 0.04 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 2q3r s VAL 271 Cb -0.15 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 2q3r s VAL 271 CO -0.01 0.48 0.58 -0.63 0.00 0.00 0.00 175.10 175.53 2q3r s ILE 272 N -0.49 4.86 0.68 2.22 1.01 -1.08 -1.62 121.20 126.78 2q3r s ILE 272 Ca 0.08 1.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.80 2q3r s ILE 272 Cb -0.08 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.48 2q3r s ILE 272 CO -0.01 0.46 1.15 -0.70 0.00 0.00 0.00 174.94 175.84 2q3r s GLU 273 N -0.47 2.59 0.00 2.79 2.56 0.12 -4.86 118.70 121.44 2q3r s GLU 273 Ca 0.30 1.55 0.00 0.00 0.00 0.00 0.00 54.97 56.82 2q3r s GLU 273 Cb -0.19 -1.91 0.00 0.00 2.00 0.00 0.00 34.13 34.03 2q3r s GLU 273 CO 0.18 -1.44 0.00 0.00 -0.56 0.00 0.00 175.26 173.43 2q3r n ALA 274 N -2.43 0.00 -0.98 6.30 0.00 -1.26 -4.85 120.51 117.29 2q3r n ALA 274 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 2q3r n ALA 274 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 2.54 0.00 0.00 1.74 -1.26 -5.04 116.66 114.64 2q3r n ARG 275 Ca 0.00 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 2q3r n ARG 275 Cb 0.00 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 28.82 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 4.32 0.00 -3.26 5.56 0.00 -1.26 -5.25 117.12 117.22 2q3r n MET 276 Ca 0.55 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 58.06 2q3r n MET 276 Cb 0.19 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.43 2q3r n MET 276 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 2q3r n HIS 287 N 0.00 -2.90 0.00 3.17 -0.00 -1.26 -4.95 115.22 109.28 2q3r n HIS 287 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 57.72 58.89 2q3r n HIS 287 Cb 0.00 -3.14 0.00 0.00 -0.00 0.00 0.00 29.99 26.85 2q3r n HIS 287 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 2q3r n THR 288 N -0.95 0.00 0.01 3.57 5.66 -1.26 -4.99 114.28 116.32 2q3r n THR 288 Ca -0.05 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.87 2q3r n THR 288 Cb 0.58 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.23 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 0.01 -0.62 1.09 4.07 -2.00 -3.39 115.31 114.47 2q3r h LEU 289 Ca 0.00 -0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.07 2q3r h LEU 289 Cb 0.00 -0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.63 2q3r h LEU 289 CO 0.00 1.02 -0.02 0.24 -1.08 0.00 0.00 178.44 178.60 2q3r h MET 290 N 0.00 0.10 -0.86 1.13 2.86 -1.94 0.10 114.93 116.33 2q3r h MET 290 Ca -0.19 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.55 2q3r h MET 290 Cb 1.93 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 33.49 2q3r h MET 290 CO 0.10 0.06 0.50 -1.35 1.06 0.00 0.00 176.91 177.28 2q3r h PRO 291 N 0.10 0.81 -0.41 -0.22 0.11 -2.01 -1.42 132.00 128.97 2q3r h PRO 291 Ca 0.32 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.24 2q3r h PRO 291 Cb 0.53 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2q3r h PRO 291 CO -0.55 0.54 -0.33 0.52 -0.21 0.00 0.00 178.00 177.96 2q3r h MET 292 N 0.83 0.93 0.00 1.05 2.86 -1.32 -2.53 114.93 116.76 2q3r h MET 292 Ca 0.41 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2q3r h MET 292 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2q3r h MET 292 CO -0.25 1.11 0.00 -2.13 1.06 0.00 0.00 176.91 176.71 2q3r n ARG 293 N -4.07 0.00 -0.08 1.72 3.00 0.18 -0.36 116.66 117.05 2q3r n ARG 293 Ca -0.01 0.32 0.26 0.00 -0.00 0.00 0.00 57.85 58.41 2q3r n ARG 293 Cb 0.52 -1.29 0.70 0.00 0.00 0.00 0.00 32.46 32.38 2q3r n ARG 293 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2q3r h LYS 294 N 0.00 0.00 -0.36 -0.14 1.57 -1.49 0.52 116.57 116.67 2q3r h LYS 294 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2q3r h LYS 294 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2q3r h LYS 294 CO 0.00 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 178.69 2q3r h ALA 295 N 1.36 0.51 -2.47 3.86 0.00 -1.16 -3.42 119.26 117.94 2q3r h ALA 295 Ca 0.35 -0.36 -0.58 0.00 0.00 0.00 0.00 54.91 54.31 2q3r h ALA 295 Cb 1.67 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 2q3r h ALA 295 CO -0.00 0.45 0.28 0.12 0.00 0.00 0.00 179.25 180.10 2q3r s PHE 296 N -4.59 3.41 0.16 0.00 5.36 0.18 -4.68 117.98 117.82 2q3r s PHE 296 Ca -0.12 1.13 0.02 0.00 -0.96 0.00 0.00 56.93 57.00 2q3r s PHE 296 Cb 0.10 -2.92 -0.01 0.00 -0.34 0.00 0.00 43.02 39.84 2q3r s PHE 296 CO 0.83 -0.20 1.37 0.87 -1.46 0.00 0.00 175.22 176.63 2q3r h LYS 297 N 7.36 0.22 0.00 10.12 1.79 -1.82 -3.46 116.57 130.77 2q3r h LYS 297 Ca -0.31 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2q3r h LYS 297 Cb 1.14 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2q3r h LYS 297 CO 0.81 0.97 0.00 0.41 -1.08 0.00 0.00 179.45 180.56 2q3r n GLY 298 N 0.87 -1.25 3.76 3.86 0.00 -1.26 -5.00 105.19 106.17 2q3r n GLY 298 Ca -0.04 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 2q3r n GLY 298 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3r s THR 299 N -0.74 2.67 -0.04 2.61 2.01 -0.92 -4.88 115.64 116.35 2q3r s THR 299 Ca 0.00 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.59 2q3r s THR 299 Cb 0.00 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2q3r s THR 299 CO 0.00 0.03 -0.19 0.12 -0.69 0.00 0.00 174.62 173.89 2q3r s PHE 300 N -1.38 1.84 -0.08 4.92 5.36 -1.26 -1.24 117.98 126.15 2q3r s PHE 300 Ca 0.63 -0.47 0.05 0.00 -0.96 0.00 0.00 56.93 56.18 2q3r s PHE 300 Cb -0.35 -1.21 -0.00 0.00 -0.34 0.00 0.00 43.02 41.11 2q3r s PHE 300 CO 0.43 -0.12 -0.23 0.42 -1.46 0.00 0.00 175.22 174.26 2q3r s ILE 301 N -0.17 1.94 0.12 3.12 1.01 0.11 -2.12 121.20 125.21 2q3r s ILE 301 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.76 2q3r s ILE 301 Cb -0.10 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2q3r s ILE 301 CO 0.01 0.54 -0.12 -0.44 0.00 0.00 0.00 174.94 174.93 2q3r s SER 302 N 0.14 4.22 0.22 3.58 0.01 0.39 -0.64 113.70 121.63 2q3r s SER 302 Ca -0.11 -0.46 -0.18 0.00 1.31 0.00 0.00 55.95 56.50 2q3r s SER 302 Cb -0.16 -0.73 0.03 0.00 0.21 0.00 0.00 66.02 65.37 2q3r s SER 302 CO 0.06 0.17 0.58 0.00 0.41 0.00 0.00 173.24 174.46 2q3r s ALA 303 N -1.26 -0.99 0.00 1.44 0.00 -0.64 -0.39 121.76 119.92 2q3r s ALA 303 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2q3r s ALA 303 Cb -0.11 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2q3r s ALA 303 CO 0.13 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2q3r n GLY 304 N -0.38 -0.51 3.03 0.00 0.00 -1.26 0.16 105.19 106.23 2q3r n GLY 304 Ca -0.08 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 1.83 2.50 3.76 -0.02 0.00 -1.26 -4.46 105.19 107.54 2q3r n GLY 305 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.20 2.84 0.48 1.61 0.40 -1.26 -5.02 117.98 113.84 2q3r s PHE 306 Ca 0.00 1.06 0.07 0.00 -0.60 0.00 0.00 56.93 57.46 2q3r s PHE 306 Cb 0.00 -3.91 0.01 0.00 0.51 0.00 0.00 43.02 39.63 2q3r s PHE 306 CO 0.00 -2.86 0.44 0.95 0.70 0.00 0.00 175.22 174.45 2q3r s THR 307 N -0.48 2.23 0.18 0.64 -4.23 -1.26 -4.95 115.64 107.77 2q3r s THR 307 Ca 0.57 -1.35 -0.13 0.00 -1.18 0.00 0.00 61.69 59.59 2q3r s THR 307 Cb -0.44 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 70.89 2q3r s THR 307 CO 0.51 0.00 1.77 -0.09 -0.54 0.00 0.00 174.62 176.27 2q3r h ARG 308 N 0.82 0.41 -0.22 3.99 2.43 -1.98 -1.58 114.38 118.25 2q3r h ARG 308 Ca -0.38 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 2q3r h ARG 308 Cb 1.28 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2q3r h ARG 308 CO 0.55 0.27 -0.09 0.93 -1.51 0.00 0.00 179.97 180.13 2q3r h GLU 309 N 0.42 0.45 -0.82 0.20 3.07 -1.97 0.65 114.58 116.59 2q3r h GLU 309 Ca 0.22 -0.19 0.18 0.00 -0.50 0.00 0.00 59.36 59.07 2q3r h GLU 309 Cb 0.17 -0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 27.95 2q3r h GLU 309 CO -0.18 0.71 0.29 -0.44 -1.40 0.00 0.00 179.01 178.00 2q3r h ASP 310 N 0.17 0.20 0.93 1.42 3.32 -1.87 0.11 116.42 120.69 2q3r h ASP 310 Ca 0.05 0.14 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 2q3r h ASP 310 Cb 0.57 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 2q3r h ASP 310 CO 0.03 0.01 -1.08 1.23 -1.72 0.00 0.00 179.24 177.70 2q3r h GLY 311 N 0.36 0.02 0.81 2.75 0.00 -1.01 0.12 103.07 106.13 2q3r h GLY 311 Ca 0.48 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.80 2q3r h GLY 311 CO -0.50 0.05 0.59 3.43 0.00 0.00 0.00 176.54 180.11 2q3r h ASN 312 N 0.01 0.95 0.50 0.19 2.35 0.26 -2.19 115.58 117.64 2q3r h ASN 312 Ca -0.04 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.42 2q3r h ASN 312 Cb 1.81 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 39.93 2q3r h ASN 312 CO 0.13 0.63 -1.69 -0.08 -1.65 0.00 0.00 177.43 174.78 2q3r h GLU 313 N 1.10 0.01 -0.71 0.81 4.81 -0.94 -3.31 114.58 116.36 2q3r h GLU 313 Ca 0.38 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 2q3r h GLU 313 Cb 0.08 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2q3r h GLU 313 CO -0.14 0.54 0.41 0.00 -0.73 0.00 0.00 179.01 179.09 2q3r h ALA 314 N 0.97 1.38 0.13 2.92 0.00 -0.50 -0.77 119.26 123.39 2q3r h ALA 314 Ca -0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2q3r h ALA 314 Cb 2.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2q3r h ALA 314 CO 0.08 0.52 -0.06 0.28 0.00 0.00 0.00 179.25 180.07 2q3r h VAL 315 N 0.99 0.97 -0.03 0.00 2.07 -1.56 -2.44 116.25 116.24 2q3r h VAL 315 Ca 0.26 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.57 2q3r h VAL 315 Cb -0.01 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2q3r h VAL 315 CO -0.05 0.25 0.03 0.77 0.02 0.00 0.00 177.57 178.60 2q3r h SER 316 N -0.83 0.00 -0.01 0.57 4.64 -1.62 0.29 113.55 116.59 2q3r h SER 316 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2q3r h SER 316 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2q3r h SER 316 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 2q3r n LYS 317 N -4.24 1.43 -1.37 4.77 4.76 -0.30 -4.93 118.16 118.27 2q3r n LYS 317 Ca -0.02 -0.62 -0.13 0.00 -2.87 0.00 0.00 58.31 54.67 2q3r n LYS 317 Cb 0.12 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.77 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 1.11 1.33 0.16 0.72 0.00 0.09 -4.88 105.19 103.72 2q3r n GLY 318 Ca 0.21 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2q3r n GLY 318 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q3r h ARG 319 N 0.04 0.00 -3.90 1.61 2.47 -1.66 -3.46 114.38 109.48 2q3r h ARG 319 Ca -0.26 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.35 2q3r h ARG 319 Cb 0.92 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.11 2q3r h ARG 319 CO 0.38 0.47 -0.32 -0.08 0.56 0.00 0.00 179.97 180.98 2q3r s THR 320 N -3.45 0.06 -0.26 2.04 -1.32 -1.21 -4.93 115.64 106.56 2q3r s THR 320 Ca 0.00 -1.42 -0.05 0.00 -1.21 0.00 0.00 61.69 59.01 2q3r s THR 320 Cb 0.11 -1.90 -0.16 0.00 -1.51 0.00 0.00 72.50 69.04 2q3r s THR 320 CO 0.72 -0.26 -0.24 0.47 -2.21 0.00 0.00 174.62 173.09 2q3r n ASP 321 N -0.23 1.98 -4.23 8.08 8.00 -0.92 -4.55 116.55 124.68 2q3r n ASP 321 Ca -0.06 0.08 -0.17 0.00 0.71 0.00 0.00 54.79 55.34 2q3r n ASP 321 Cb 0.63 -0.61 -0.11 0.00 -0.02 0.00 0.00 41.12 41.01 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 -6.97 2.40 -0.11 0.64 1.43 -0.90 -4.85 118.68 110.32 2q3r s LEU 322 Ca -0.36 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 51.94 2q3r s LEU 322 Cb 0.11 -0.51 0.02 0.00 0.03 0.00 0.00 46.19 45.84 2q3r s LEU 322 CO 0.56 -0.16 -0.12 -0.69 0.23 0.00 0.00 176.35 176.18 2q3r s VAL 323 N -2.16 1.27 -0.13 -1.59 1.01 -0.99 -0.46 120.40 117.35 2q3r s VAL 323 Ca 0.08 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 2q3r s VAL 323 Cb -0.05 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2q3r s VAL 323 CO 0.02 0.40 0.49 0.00 0.00 0.00 0.00 175.10 176.02 2q3r s ALA 324 N 1.33 3.48 -0.16 5.51 0.00 0.47 -1.87 121.76 130.53 2q3r s ALA 324 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 2q3r s ALA 324 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 2q3r s ALA 324 CO -0.05 -0.08 -0.13 0.71 0.00 0.00 0.00 175.76 176.20 2q3r s TYR 325 N 0.82 2.82 0.00 0.00 2.02 0.20 -4.05 117.35 119.15 2q3r s TYR 325 Ca 0.26 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2q3r s TYR 325 Cb -0.15 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 2q3r s TYR 325 CO 0.10 -0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.09 2q3r n GLY 326 N 4.00 -0.26 0.36 0.71 0.00 -1.26 -1.71 105.19 107.03 2q3r n GLY 326 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 0.96 -0.00 1.61 3.08 -1.95 0.38 114.38 118.45 2q3r h ARG 327 Ca 0.00 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 2q3r h ARG 327 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2q3r h ARG 327 CO 0.00 0.63 -0.83 -1.49 -1.07 0.00 0.00 179.97 177.21 2q3r h TRP 328 N 0.98 0.15 0.00 3.04 -0.00 -1.95 -2.73 115.95 115.45 2q3r h TRP 328 Ca 0.35 -0.08 -0.20 0.00 -0.00 0.00 0.00 58.89 58.96 2q3r h TRP 328 Cb 0.14 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.26 2q3r h TRP 328 CO -0.00 0.88 -0.93 0.35 -0.00 0.00 0.00 178.44 178.74 2q3r h PHE 329 N 0.06 0.00 -0.14 0.49 3.04 -1.59 -2.15 116.94 116.64 2q3r h PHE 329 Ca -0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2q3r h PHE 329 Cb 1.45 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 2q3r h PHE 329 CO 0.01 0.93 0.09 1.25 -2.02 0.00 0.00 178.31 178.58 2q3r h LEU 330 N 0.00 0.17 -1.96 0.59 6.46 -0.19 -2.83 115.31 117.55 2q3r h LEU 330 Ca -0.01 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2q3r h LEU 330 Cb 1.65 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.54 2q3r h LEU 330 CO 0.12 0.13 0.00 0.00 -0.62 0.00 0.00 178.44 178.07 2q3r n ALA 331 N -2.13 2.79 -3.21 1.25 0.00 -1.04 -4.66 120.51 113.51 2q3r n ALA 331 Ca -0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.40 2q3r n ALA 331 Cb 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 2q3r n ALA 331 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2q3r s ASN 332 N -0.78 -0.22 0.41 0.00 0.01 -0.81 -4.30 114.94 109.25 2q3r s ASN 332 Ca 0.30 -1.44 0.21 0.00 -0.71 0.00 0.00 52.86 51.21 2q3r s ASN 332 Cb 0.19 1.21 1.16 0.00 0.41 0.00 0.00 41.25 44.22 2q3r s ASN 332 CO 0.16 -0.18 1.77 1.55 -1.51 0.00 0.00 177.10 178.88 2q3r h PRO 333 N 6.58 0.33 -2.71 -0.60 0.13 -1.79 -2.69 132.00 131.25 2q3r h PRO 333 Ca 0.07 -0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 64.42 2q3r h PRO 333 Cb 1.10 -0.07 -0.31 0.00 0.13 0.00 0.00 31.00 31.84 2q3r h PRO 333 CO 0.14 0.22 0.48 -0.40 -0.23 0.00 0.00 178.00 178.21 2q3r n ASP 334 N -4.58 5.87 -0.07 1.44 3.85 -1.26 -4.02 116.55 117.78 2q3r n ASP 334 Ca 0.26 -3.44 -0.18 0.00 -0.71 0.00 0.00 54.79 50.71 2q3r n ASP 334 Cb 0.93 -1.12 -0.13 0.00 -1.35 0.00 0.00 41.12 39.45 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 5.05 0.05 -1.48 -2.12 5.85 -1.83 -3.22 115.31 117.62 2q3r h LEU 335 Ca 0.21 -0.80 0.24 0.00 0.84 0.00 0.00 57.88 58.38 2q3r h LEU 335 Cb 0.61 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 2q3r h LEU 335 CO 1.21 1.26 0.65 -0.65 -0.34 0.00 0.00 178.44 180.57 2q3r h PRO 336 N -0.91 0.36 -0.00 5.25 0.11 -1.89 -0.10 132.00 134.81 2q3r h PRO 336 Ca -0.16 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.70 2q3r h PRO 336 Cb 1.21 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.26 2q3r h PRO 336 CO -0.07 0.24 -0.88 -0.22 -0.21 0.00 0.00 178.00 176.86 2q3r h LYS 337 N 0.37 0.60 0.27 1.05 1.63 -1.97 -2.66 116.57 115.86 2q3r h LYS 337 Ca 0.54 -0.64 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 2q3r h LYS 337 Cb 1.42 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 33.23 2q3r h LYS 337 CO -0.22 1.25 -0.15 0.00 -3.45 0.00 0.00 179.45 176.88 2q3r h ARG 338 N 0.22 -0.38 -0.00 1.90 3.08 -1.11 -0.60 114.38 117.48 2q3r h ARG 338 Ca -0.11 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2q3r h ARG 338 Cb 1.55 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.69 2q3r h ARG 338 CO 0.17 -0.25 0.03 0.74 -1.07 0.00 0.00 179.97 179.59 2q3r h PHE 339 N -0.40 0.00 0.00 3.04 0.04 -1.16 1.33 116.94 119.79 2q3r h PHE 339 Ca -0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 2q3r h PHE 339 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2q3r h PHE 339 CO -0.07 0.00 -0.44 0.37 -0.60 0.00 0.00 178.31 177.56 2q3r h GLN 340 N 0.00 0.00 0.00 1.51 4.15 -0.74 -3.27 115.11 116.76 2q3r h GLN 340 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2q3r h GLN 340 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2q3r h GLN 340 CO -0.00 0.44 -0.15 0.28 -1.93 0.00 0.00 178.83 177.47 2q3r n VAL 341 N -3.55 0.83 -4.05 2.39 0.31 0.68 -5.00 118.33 109.94 2q3r n VAL 341 Ca -0.00 -0.96 -0.43 0.00 -0.01 0.00 0.00 64.34 62.94 2q3r n VAL 341 Cb 0.55 0.33 0.02 0.00 -0.91 0.00 0.00 33.84 33.83 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 -0.59 -3.78 -4.93 4.52 -0.08 0.42 -4.93 116.55 107.18 2q3r n ASP 342 Ca 0.05 -1.19 -0.25 0.00 -1.51 0.00 0.00 54.79 51.90 2q3r n ASP 342 Cb 0.56 -1.45 0.01 0.00 2.34 0.00 0.00 41.12 42.58 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 -3.61 3.60 0.56 -1.67 0.00 -0.74 -5.00 121.76 114.89 2q3r s ALA 343 Ca 0.43 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 2q3r s ALA 343 Cb -0.24 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 2q3r s ALA 343 CO 0.89 -0.36 1.26 -1.25 0.00 0.00 0.00 175.76 176.30 2q3r s PRO 344 N -4.61 3.13 0.03 0.00 0.04 -1.26 -4.82 135.00 127.51 2q3r s PRO 344 Ca 0.47 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.53 2q3r s PRO 344 Cb -0.10 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2q3r s PRO 344 CO 0.40 -1.12 -0.04 -0.51 0.04 0.00 0.00 177.00 175.77 2q3r s LEU 345 N -3.72 3.31 0.48 -3.56 1.43 -1.26 -5.06 118.68 110.31 2q3r s LEU 345 Ca 0.73 -0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 53.47 2q3r s LEU 345 Cb -0.34 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 2q3r s LEU 345 CO 0.39 0.25 1.24 0.20 0.23 0.00 0.00 176.35 178.66 2q3r s ASN 346 N -1.73 5.92 0.35 2.29 0.01 -1.26 -4.98 114.94 115.53 2q3r s ASN 346 Ca 0.20 2.49 -0.25 0.00 -0.71 0.00 0.00 52.86 54.59 2q3r s ASN 346 Cb -0.11 -2.62 -0.10 0.00 0.41 0.00 0.00 41.25 38.83 2q3r s ASN 346 CO 0.11 -1.10 0.99 -0.54 -1.51 0.00 0.00 177.10 175.05 2q3r s LYS 347 N -2.70 4.45 0.17 -0.60 1.02 -1.26 -4.82 119.74 115.99 2q3r s LYS 347 Ca 0.65 1.41 -0.21 0.00 0.02 0.00 0.00 55.97 57.84 2q3r s LYS 347 Cb -0.33 -2.72 -0.08 0.00 -0.52 0.00 0.00 37.83 34.18 2q3r s LYS 347 CO 0.40 0.14 0.69 1.52 -0.92 0.00 0.00 175.35 177.18 2q3r s TYR 348 N -1.62 3.76 -0.71 3.18 -0.85 -1.26 -4.92 117.35 114.93 2q3r s TYR 348 Ca 0.53 1.41 -0.09 0.00 -0.52 0.00 0.00 57.07 58.40 2q3r s TYR 348 Cb -0.20 -2.61 0.19 0.00 0.38 0.00 0.00 41.96 39.71 2q3r s TYR 348 CO 0.26 0.45 0.59 0.34 -1.52 0.00 0.00 175.55 175.67 2q3r s ASP 349 N -1.39 6.01 0.20 -0.18 2.15 -1.26 -4.97 116.67 117.24 2q3r s ASP 349 Ca 0.37 -2.70 -0.13 0.00 0.43 0.00 0.00 52.55 50.52 2q3r s ASP 349 Cb -0.19 -2.04 0.24 0.00 -0.30 0.00 0.00 42.92 40.63 2q3r s ASP 349 CO 0.22 -0.49 1.65 0.03 -0.17 0.00 0.00 175.17 176.40 2q3r h ARG 350 N 7.50 0.04 -0.03 4.34 3.08 -2.00 -0.99 114.38 126.33 2q3r h ARG 350 Ca 0.03 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2q3r h ARG 350 Cb 1.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 2q3r h ARG 350 CO 0.75 0.03 0.67 -1.35 -1.07 0.00 0.00 179.97 179.00 2q3r h PRO 351 N 0.04 0.00 -0.12 0.04 0.11 -2.02 0.50 132.00 130.55 2q3r h PRO 351 Ca 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 2q3r h PRO 351 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2q3r h PRO 351 CO -0.57 0.00 -0.07 0.25 -0.21 0.00 0.00 178.00 177.40 2q3r n THR 352 N -2.72 2.13 0.06 -1.15 -2.24 -0.38 -4.53 114.28 105.45 2q3r n THR 352 Ca -0.00 -2.34 -0.13 0.00 -2.27 0.00 0.00 64.05 59.31 2q3r n THR 352 Cb 0.70 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.79 -0.18 -0.41 4.78 -1.00 0.03 -3.36 116.94 117.59 2q3r h PHE 353 Ca 0.03 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2q3r h PHE 353 Cb 1.22 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.84 2q3r h PHE 353 CO 0.37 0.22 0.00 0.66 -1.61 0.00 0.00 178.31 177.95 2q3r n TYR 354 N -4.98 0.79 -1.44 -0.55 4.01 -1.26 -4.66 117.16 109.08 2q3r n TYR 354 Ca -0.09 -0.61 -0.29 0.00 -0.16 0.00 0.00 57.90 56.76 2q3r n TYR 354 Cb 0.25 -0.13 0.14 0.00 -0.31 0.00 0.00 39.34 39.29 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 2.17 -0.45 -0.72 -4.23 -1.26 -4.77 115.64 104.81 2q3r s THR 355 Ca 0.34 0.06 0.15 0.00 -1.18 0.00 0.00 61.69 61.06 2q3r s THR 355 Cb 0.22 -2.73 0.56 0.00 1.34 0.00 0.00 72.50 71.89 2q3r s THR 355 CO 0.17 -0.07 1.47 -1.54 -0.54 0.00 0.00 174.62 174.11 2q3r n SER 356 N -3.83 4.12 -4.74 3.99 3.41 -1.26 -4.75 113.62 110.56 2q3r n SER 356 Ca 0.06 -2.75 -0.41 0.00 -0.26 0.00 0.00 58.87 55.51 2q3r n SER 356 Cb 0.58 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.46 7.17 0.57 4.04 2.15 -1.26 -4.91 116.67 122.97 2q3r s ASP 357 Ca 0.42 2.20 0.25 0.00 0.43 0.00 0.00 52.55 55.85 2q3r s ASP 357 Cb 0.31 -2.61 1.63 0.00 -0.30 0.00 0.00 42.92 41.95 2q3r s ASP 357 CO 0.13 -0.29 2.21 -0.65 -0.17 0.00 0.00 175.17 176.41 2q3r h PRO 358 N 4.92 0.00 0.00 4.34 0.11 -1.96 -3.38 132.00 136.03 2q3r h PRO 358 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2q3r h PRO 358 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2q3r h PRO 358 CO 0.72 0.00 -0.51 0.28 -0.21 0.00 0.00 178.00 178.28 2q3r n VAL 359 N -4.09 0.79 -1.68 3.15 0.31 -1.26 -4.59 118.33 110.96 2q3r n VAL 359 Ca -0.03 0.21 -0.47 0.00 -0.01 0.00 0.00 64.34 64.05 2q3r n VAL 359 Cb 0.10 -1.60 -0.04 0.00 -0.91 0.00 0.00 33.84 31.38 2q3r n VAL 359 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2q3r n VAL 360 N -3.38 0.52 -1.11 2.52 0.31 -1.26 -0.44 118.33 115.48 2q3r n VAL 360 Ca -0.03 -0.09 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 2q3r n VAL 360 Cb 0.24 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 2q3r n VAL 360 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2q3r n GLY 361 N 4.29 0.59 1.27 2.92 0.00 -1.26 -4.65 105.19 108.35 2q3r n GLY 361 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.57 -0.31 -0.04 1.61 9.36 0.41 -4.74 117.16 120.89 2q3r n TYR 362 Ca -0.04 0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.24 2q3r n TYR 362 Cb 0.29 0.14 0.00 0.00 -0.63 0.00 0.00 39.34 39.13 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 -3.16 0.00 1.51 2.97 -2.24 0.20 -4.70 114.28 108.86 2q3r n THR 363 Ca 0.00 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2q3r n THR 363 Cb 0.20 1.04 0.49 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.15 -4.64 3.42 3.85 -1.20 -4.79 116.55 114.34 2q3r n ASP 364 Ca 0.00 -1.54 -0.43 0.00 -0.71 0.00 0.00 54.79 52.11 2q3r n ASP 364 Cb 0.01 -0.05 -0.02 0.00 -1.35 0.00 0.00 41.12 39.70 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 -1.90 2.22 0.45 2.11 2.02 -1.26 -4.96 117.35 116.03 2q3r s TYR 365 Ca 0.34 0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 57.40 2q3r s TYR 365 Cb 0.18 -3.92 -0.08 0.00 -0.40 0.00 0.00 41.96 37.73 2q3r s TYR 365 CO 0.28 -2.80 1.07 -1.25 -1.57 0.00 0.00 175.55 171.28 2q3r s PRO 366 N 4.43 3.91 0.82 -1.71 0.04 -1.26 -4.53 135.00 136.69 2q3r s PRO 366 Ca 0.68 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 2q3r s PRO 366 Cb -0.25 -2.33 0.09 0.00 0.04 0.00 0.00 34.50 32.06 2q3r s PRO 366 CO 0.27 -0.37 1.18 -0.06 0.04 0.00 0.00 177.00 178.07 2q3r s PHE 367 N -1.75 2.78 0.69 0.56 0.40 -1.26 -4.67 117.98 114.73 2q3r s PHE 367 Ca 0.63 0.67 -0.16 0.00 -0.60 0.00 0.00 56.93 57.47 2q3r s PHE 367 Cb -0.21 -3.55 0.02 0.00 0.51 0.00 0.00 43.02 39.79 2q3r s PHE 367 CO 0.26 -1.85 1.21 -0.51 0.70 0.00 0.00 175.22 175.03 2q3r s LEU 368 N -5.59 3.42 0.00 -0.37 1.43 -1.26 -5.09 118.68 111.22 2q3r s LEU 368 Ca 0.63 2.38 0.02 0.00 -1.03 0.00 0.00 54.13 56.13 2q3r s LEU 368 Cb -0.10 -4.59 0.15 0.00 0.03 0.00 0.00 46.19 41.67 2q3r s LEU 368 CO 0.49 -2.07 0.63 -0.62 0.23 0.00 0.00 176.35 175.01