#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 3.51 0.21 2.46 1.01 -1.26 -4.92 120.40 121.42 2q3r s VAL 10 Ca 0.00 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 2q3r s VAL 10 Cb 0.00 -3.61 0.21 0.00 0.00 0.00 0.00 36.38 32.98 2q3r s VAL 10 CO 0.00 -0.33 1.47 -2.65 0.00 0.00 0.00 175.10 173.58 2q3r n PRO 11 N 8.13 -0.23 0.29 2.72 -0.02 -1.26 0.30 135.00 144.94 2q3r n PRO 11 Ca 0.22 1.45 0.16 0.00 -2.02 0.00 0.00 63.50 63.31 2q3r n PRO 11 Cb 0.46 -2.16 0.91 0.00 -0.02 0.00 0.00 33.50 32.69 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 0.00 -3.97 2.45 3.38 -1.88 -1.90 115.31 113.40 2q3r h LEU 12 Ca 0.32 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.78 2q3r h LEU 12 Cb 0.56 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.01 2q3r h LEU 12 CO -0.94 0.03 0.63 0.18 0.09 0.00 0.00 178.44 178.43 2q3r n LEU 13 N -3.69 6.64 -4.62 1.67 7.99 0.15 0.10 117.00 125.24 2q3r n LEU 13 Ca -0.03 -3.64 -0.34 0.00 -0.01 0.00 0.00 56.01 51.99 2q3r n LEU 13 Cb 0.12 -0.83 -0.10 0.00 -0.11 0.00 0.00 43.42 42.49 2q3r n LEU 13 CO 0.27 1.07 -0.35 0.42 -1.51 0.00 0.00 177.39 177.30 2q3r s THR 14 N -3.34 3.98 0.84 -5.08 -4.23 -0.72 -4.61 115.64 102.49 2q3r s THR 14 Ca 0.57 -0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 2q3r s THR 14 Cb 0.48 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.68 2q3r s THR 14 CO 0.10 0.60 0.60 -2.65 -0.54 0.00 0.00 174.62 172.73 2q3r n PRO 15 N 2.23 0.00 -3.67 3.99 -0.02 -1.25 -3.72 135.00 132.57 2q3r n PRO 15 Ca -0.18 0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.23 2q3r n PRO 15 Cb 0.53 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 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 -2.18 -0.73 -0.20 6.00 5.04 -1.12 -4.97 117.35 119.19 2q3r s TYR 16 Ca 0.63 1.67 -0.11 0.00 -2.44 0.00 0.00 57.07 56.81 2q3r s TYR 16 Cb -0.28 0.31 -0.05 0.00 0.35 0.00 0.00 41.96 42.30 2q3r s TYR 16 CO 0.61 -0.36 0.20 0.21 -1.34 0.00 0.00 175.55 174.87 2q3r s LYS 17 N 0.70 4.17 -0.25 4.97 2.47 -1.26 -2.36 119.74 128.18 2q3r s LYS 17 Ca -0.03 -0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.25 2q3r s LYS 17 Cb -0.05 -3.47 0.07 0.00 -1.46 0.00 0.00 37.83 32.92 2q3r s LYS 17 CO -0.05 0.18 -0.01 1.41 0.16 0.00 0.00 175.35 177.04 2q3r s MET 18 N 0.69 1.35 0.00 4.03 -2.45 -1.03 -4.92 119.30 116.97 2q3r s MET 18 Ca 0.11 -0.99 0.00 0.00 -1.25 0.00 0.00 55.69 53.56 2q3r s MET 18 Cb -0.12 -2.49 0.00 0.00 1.25 0.00 0.00 34.83 33.46 2q3r s MET 18 CO 0.02 -0.68 0.00 0.41 1.05 0.00 0.00 175.02 175.82 2q3r n GLY 19 N 4.72 0.31 0.00 2.11 0.00 -1.26 -1.97 105.19 109.09 2q3r n GLY 19 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -2.80 1.61 3.00 -1.26 -5.13 116.66 112.08 2q3r n ARG 20 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 2q3r n ARG 20 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 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 0.00 3.92 -0.29 -0.14 0.40 -0.83 -5.04 117.98 115.99 2q3r s PHE 21 Ca 0.00 1.82 -0.10 0.00 -0.60 0.00 0.00 56.93 58.04 2q3r s PHE 21 Cb 0.00 -2.95 -0.03 0.00 0.51 0.00 0.00 43.02 40.55 2q3r s PHE 21 CO 0.00 0.40 0.17 -0.80 0.70 0.00 0.00 175.22 175.69 2q3r s ASN 22 N -0.85 5.73 -0.19 1.36 0.01 -1.26 -2.47 114.94 117.26 2q3r s ASN 22 Ca 0.41 -0.25 -0.15 0.00 -0.71 0.00 0.00 52.86 52.16 2q3r s ASN 22 Cb -0.25 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 2q3r s ASN 22 CO 0.30 -0.12 0.34 -0.76 -1.51 0.00 0.00 177.10 175.35 2q3r s LEU 23 N 1.69 4.18 0.51 0.60 1.43 -1.00 -4.66 118.68 121.43 2q3r s LEU 23 Ca 0.06 0.47 0.28 0.00 -1.03 0.00 0.00 54.13 53.90 2q3r s LEU 23 Cb -0.16 -2.43 1.34 0.00 0.03 0.00 0.00 46.19 44.97 2q3r s LEU 23 CO 0.08 -0.01 2.01 0.28 0.23 0.00 0.00 176.35 178.94 2q3r h SER 24 N 7.19 0.00 -5.09 2.29 0.02 -0.99 -2.97 113.55 114.00 2q3r h SER 24 Ca -0.38 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.53 2q3r h SER 24 Cb 1.16 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.59 2q3r h SER 24 CO 0.72 0.14 -0.03 -1.38 -1.14 0.00 0.00 176.83 175.14 2q3r s HIS 25 N -3.99 -0.14 -2.06 3.45 0.00 -1.26 -3.85 115.29 107.44 2q3r s HIS 25 Ca -0.02 -0.19 0.16 0.00 -3.00 0.00 0.00 55.06 52.01 2q3r s HIS 25 Cb 0.12 0.31 0.46 0.00 -4.00 0.00 0.00 32.58 29.47 2q3r s HIS 25 CO 0.59 -0.81 1.37 0.54 -1.00 0.00 0.00 174.74 175.43 2q3r n ARG 26 N -0.29 2.06 -2.69 -0.38 1.74 0.29 -4.78 116.66 112.62 2q3r n ARG 26 Ca -0.13 -1.64 -0.43 0.00 -0.77 0.00 0.00 57.85 54.88 2q3r n ARG 26 Cb 0.63 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.44 4.35 -0.26 1.55 1.01 -1.24 -3.16 120.40 121.23 2q3r s VAL 27 Ca 0.32 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 2q3r s VAL 27 Cb 0.17 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2q3r s VAL 27 CO 0.23 -0.85 0.17 -0.69 0.00 0.00 0.00 175.10 173.95 2q3r s VAL 28 N 4.07 5.34 -0.24 2.92 1.01 -0.37 -4.51 120.40 128.61 2q3r s VAL 28 Ca 0.43 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 2q3r s VAL 28 Cb -0.09 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2q3r s VAL 28 CO 0.27 0.31 1.41 -0.22 0.00 0.00 0.00 175.10 176.87 2q3r s LEU 29 N 1.35 3.95 0.59 3.92 2.96 -1.09 0.78 118.68 131.13 2q3r s LEU 29 Ca 0.07 1.45 -0.18 0.00 -0.22 0.00 0.00 54.13 55.26 2q3r s LEU 29 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2q3r s LEU 29 CO 0.07 -1.09 1.12 0.00 -1.32 0.00 0.00 176.35 175.13 2q3r s ALA 30 N 4.51 2.62 0.21 5.97 0.00 -0.39 -2.28 121.76 132.40 2q3r s ALA 30 Ca 0.62 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 2q3r s ALA 30 Cb -0.21 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 2q3r s ALA 30 CO 0.24 -0.94 1.65 -1.25 0.00 0.00 0.00 175.76 175.47 2q3r s PRO 31 N -3.62 4.15 -0.25 0.00 0.04 -1.26 -4.78 135.00 129.28 2q3r s PRO 31 Ca 0.70 2.54 -0.03 0.00 0.04 0.00 0.00 61.00 64.24 2q3r s PRO 31 Cb -0.22 -3.08 0.08 0.00 0.04 0.00 0.00 34.50 31.32 2q3r s PRO 31 CO 0.32 -0.69 0.09 -0.51 0.04 0.00 0.00 177.00 176.26 2q3r s LEU 32 N 0.81 1.06 -0.01 -3.56 1.43 -1.26 -4.85 118.68 112.31 2q3r s LEU 32 Ca 0.71 -1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 2q3r s LEU 32 Cb -0.48 -0.51 -0.08 0.00 0.03 0.00 0.00 46.19 45.15 2q3r s LEU 32 CO 0.35 -0.39 1.97 -0.89 0.23 0.00 0.00 176.35 177.62 2q3r s THR 33 N 1.93 3.08 -0.34 5.49 2.01 -1.26 -4.32 115.64 122.23 2q3r s THR 33 Ca 0.06 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.19 2q3r s THR 33 Cb -0.17 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 2q3r s THR 33 CO -0.22 -0.01 0.37 0.54 -0.69 0.00 0.00 174.62 174.60 2q3r n ARG 34 N 7.66 3.13 -3.70 4.92 5.12 -1.26 -4.81 116.66 127.73 2q3r n ARG 34 Ca 0.21 -0.32 -0.29 0.00 -1.93 0.00 0.00 57.85 55.51 2q3r n ARG 34 Cb 0.42 -0.86 0.04 0.00 -1.16 0.00 0.00 32.46 30.90 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 -0.53 -1.82 -0.43 5.56 6.02 -1.26 -4.51 117.38 120.41 2q3r n GLN 35 Ca 0.02 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 2q3r n GLN 35 Cb 0.08 -4.34 0.00 0.00 1.02 0.00 0.00 30.24 27.01 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 -4.17 0.01 -3.18 -1.09 1.74 -0.82 -4.39 116.66 104.75 2q3r n ARG 36 Ca -0.14 -0.94 -0.43 0.00 -0.77 0.00 0.00 57.85 55.57 2q3r n ARG 36 Cb 0.61 -0.51 -0.00 0.00 -1.02 0.00 0.00 32.46 31.54 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 -0.01 5.88 -4.55 0.55 7.64 0.11 -4.54 113.62 118.69 2q3r n SER 37 Ca 0.00 -3.25 -0.63 0.00 1.01 0.00 0.00 58.87 56.00 2q3r n SER 37 Cb 0.67 -1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.90 1.29 -1.47 1.43 0.53 -1.18 0.19 117.16 119.84 2q3r n TYR 38 Ca 0.25 1.09 -0.16 0.00 -1.02 0.00 0.00 57.90 58.06 2q3r n TYR 38 Cb 0.36 -2.13 -0.07 0.00 -1.03 0.00 0.00 39.34 36.48 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 2.94 1.57 2.10 2.72 0.00 -1.26 -1.21 105.19 112.05 2q3r n GLY 39 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.56 -3.10 -4.63 1.61 5.03 0.13 -5.00 115.26 108.73 2q3r n ASN 40 Ca -0.16 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.93 2q3r n ASN 40 Cb 0.52 -0.69 -0.10 0.00 -1.02 0.00 0.00 39.78 38.50 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 -1.99 5.12 0.63 2.41 1.01 -0.35 -1.44 120.40 125.78 2q3r s VAL 41 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2q3r s VAL 41 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2q3r s VAL 41 CO 0.00 0.38 1.01 -2.65 0.00 0.00 0.00 175.10 173.84 2q3r n PRO 42 N 4.14 0.88 -4.37 2.72 -0.02 -1.26 -3.08 135.00 134.01 2q3r n PRO 42 Ca -0.16 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.40 2q3r n PRO 42 Cb 0.52 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.92 1.36 0.60 -0.52 -1.52 -1.26 -4.89 119.66 110.51 2q3r s GLN 43 Ca 0.78 -1.34 0.29 0.00 -1.95 0.00 0.00 55.36 53.13 2q3r s GLN 43 Cb -0.40 -1.77 1.52 0.00 -0.22 0.00 0.00 33.01 32.14 2q3r s GLN 43 CO 0.45 0.41 1.92 -1.35 -0.25 0.00 0.00 175.29 176.47 2q3r h PRO 44 N 3.79 0.00 0.00 2.91 0.11 -1.95 0.42 132.00 137.29 2q3r h PRO 44 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2q3r h PRO 44 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2q3r h PRO 44 CO 0.41 0.00 -0.02 1.12 -0.21 0.00 0.00 178.00 179.30 2q3r h HIS 45 N 0.00 0.00 -0.02 0.65 2.07 -1.95 -1.47 115.15 114.43 2q3r h HIS 45 Ca 0.15 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.51 2q3r h HIS 45 Cb 1.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.96 2q3r h HIS 45 CO 0.00 0.02 -0.73 0.00 -3.07 0.00 0.00 177.93 174.14 2q3r h ALA 46 N 1.98 0.73 -0.78 6.11 0.00 -0.49 -2.31 119.26 124.50 2q3r h ALA 46 Ca -0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2q3r h ALA 46 Cb 0.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2q3r h ALA 46 CO 0.00 0.85 0.44 0.00 0.00 0.00 0.00 179.25 180.54 2q3r h ALA 47 N 1.15 1.32 0.22 0.00 0.00 -1.34 -0.55 119.26 120.07 2q3r h ALA 47 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2q3r h ALA 47 Cb 1.29 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2q3r h ALA 47 CO 0.11 0.57 -0.11 0.82 0.00 0.00 0.00 179.25 180.64 2q3r h ILE 48 N 1.08 0.76 -0.53 0.00 1.08 -1.51 -2.47 117.51 115.91 2q3r h ILE 48 Ca 0.28 -0.92 0.09 0.00 -0.39 0.00 0.00 64.86 63.92 2q3r h ILE 48 Cb -0.01 1.21 -0.11 0.00 -3.07 0.00 0.00 36.82 34.85 2q3r h ILE 48 CO -0.05 0.17 -0.36 0.22 -0.69 0.00 0.00 178.15 177.45 2q3r h TYR 49 N -0.83 -1.00 -0.09 1.37 3.20 -1.18 0.18 116.97 118.61 2q3r h TYR 49 Ca -0.03 0.07 -0.17 0.00 3.14 0.00 0.00 58.73 61.74 2q3r h TYR 49 Cb 0.51 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2q3r h TYR 49 CO 0.06 -0.39 -0.68 1.88 -1.64 0.00 0.00 178.16 177.39 2q3r h TYR 50 N -0.21 0.53 -0.72 -3.82 0.05 -1.23 -3.15 116.97 108.43 2q3r h TYR 50 Ca 0.20 -0.22 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 2q3r h TYR 50 Cb 0.55 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 2q3r h TYR 50 CO -0.62 0.96 0.27 1.03 -1.05 0.00 0.00 178.16 178.74 2q3r h SER 51 N 0.28 0.99 -0.07 3.88 0.87 -0.90 -2.11 113.55 116.50 2q3r h SER 51 Ca -0.02 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2q3r h SER 51 Cb 1.24 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2q3r h SER 51 CO 0.12 0.90 -0.02 1.56 -0.53 0.00 0.00 176.83 178.85 2q3r h GLN 52 N 1.05 0.26 -0.53 2.24 4.20 -0.63 -2.51 115.11 119.18 2q3r h GLN 52 Ca 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2q3r h GLN 52 Cb 0.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2q3r h GLN 52 CO -0.02 0.30 0.00 0.54 -0.67 0.00 0.00 178.83 178.99 2q3r n ARG 53 N -4.37 2.25 -3.66 1.46 1.74 -0.83 -4.49 116.66 108.77 2q3r n ARG 53 Ca -0.00 -1.95 -0.34 0.00 -0.77 0.00 0.00 57.85 54.79 2q3r n ARG 53 Cb 0.19 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.29 5.18 0.06 0.55 2.01 -0.95 -4.95 115.64 116.24 2q3r s THR 54 Ca 0.36 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.66 2q3r s THR 54 Cb 0.19 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2q3r s THR 54 CO 0.25 0.29 -0.06 0.42 -0.69 0.00 0.00 174.62 174.83 2q3r s THR 55 N -1.39 0.46 -0.20 -0.82 -4.23 -1.26 -5.01 115.64 103.19 2q3r s THR 55 Ca 0.32 -1.41 -0.31 0.00 -1.18 0.00 0.00 61.69 59.11 2q3r s THR 55 Cb -0.13 -1.00 -0.08 0.00 1.34 0.00 0.00 72.50 72.62 2q3r s THR 55 CO 0.18 -0.64 2.14 -2.65 -0.54 0.00 0.00 174.62 173.11 2q3r n PRO 56 N 0.84 1.91 -0.96 3.99 -0.02 -0.90 -0.23 135.00 139.62 2q3r n PRO 56 Ca -0.19 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2q3r n PRO 56 Cb 0.57 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 2q3r n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q3r n GLY 57 N 5.59 0.44 3.86 -1.23 0.00 0.95 -4.24 105.19 110.57 2q3r n GLY 57 Ca 0.30 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.91 2.35 -0.24 -0.02 0.00 0.68 -0.54 107.32 106.64 2q3r s GLY 58 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 44.72 44.36 2q3r s GLY 58 CO 0.00 -0.07 0.12 -0.12 0.00 0.00 0.00 173.10 173.03 2q3r s PHE 59 N -1.60 3.22 -0.04 1.90 5.99 -1.26 -0.08 117.98 126.11 2q3r s PHE 59 Ca 0.41 0.01 0.03 0.00 0.00 0.00 0.00 56.93 57.37 2q3r s PHE 59 Cb -0.13 -2.24 0.00 0.00 0.00 0.00 0.00 43.02 40.66 2q3r s PHE 59 CO 0.20 -0.06 -0.11 -0.51 -0.00 0.00 0.00 175.22 174.73 2q3r s LEU 60 N 1.17 1.76 -0.05 6.12 1.02 -0.19 -2.67 118.68 125.84 2q3r s LEU 60 Ca 0.06 -0.24 -0.00 0.00 0.02 0.00 0.00 54.13 53.96 2q3r s LEU 60 Cb -0.14 -0.70 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 2q3r s LEU 60 CO 0.05 0.07 -0.00 -0.63 0.02 0.00 0.00 176.35 175.86 2q3r s ILE 61 N 0.29 4.22 0.80 -0.59 1.01 -0.97 -1.61 121.20 124.35 2q3r s ILE 61 Ca -0.06 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 2q3r s ILE 61 Cb -0.11 -2.82 0.07 0.00 0.01 0.00 0.00 42.46 39.62 2q3r s ILE 61 CO 0.01 0.51 1.12 0.42 0.00 0.00 0.00 174.94 177.00 2q3r s THR 62 N -0.97 2.73 0.93 2.92 -4.23 0.08 -4.00 115.64 113.10 2q3r s THR 62 Ca 0.16 0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.80 2q3r s THR 62 Cb -0.11 -3.09 0.15 0.00 1.34 0.00 0.00 72.50 70.79 2q3r s THR 62 CO 0.06 -0.31 1.12 -1.83 -0.54 0.00 0.00 174.62 173.12 2q3r s GLU 63 N -5.32 0.91 0.35 3.99 -1.05 -1.26 -4.13 118.70 112.20 2q3r s GLU 63 Ca 0.61 1.34 -0.28 0.00 -0.15 0.00 0.00 54.97 56.48 2q3r s GLU 63 Cb -0.13 -1.73 -0.12 0.00 -0.44 0.00 0.00 34.13 31.71 2q3r s GLU 63 CO 0.52 -2.63 1.44 0.00 0.95 0.00 0.00 175.26 175.54 2q3r n ALA 64 N -4.22 2.05 -3.89 -0.84 0.00 -1.26 -4.39 120.51 107.97 2q3r n ALA 64 Ca 0.10 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.62 2q3r n ALA 64 Cb 0.53 -2.37 -0.17 0.00 0.00 0.00 0.00 19.45 17.44 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 1.01 0.46 0.00 2.01 -0.85 -4.35 115.64 112.96 2q3r s THR 65 Ca 0.55 -0.42 -0.23 0.00 0.31 0.00 0.00 61.69 61.91 2q3r s THR 65 Cb -0.51 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 70.79 2q3r s THR 65 CO 0.61 0.24 0.98 0.61 -0.69 0.00 0.00 174.62 176.38 2q3r n GLY 66 N 4.93 -0.28 0.64 4.40 0.00 0.52 -3.35 105.19 112.05 2q3r n GLY 66 Ca -0.12 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.07 2q3r n GLY 66 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2q3r n VAL 67 N -0.78 0.00 -3.83 1.61 0.24 -1.18 0.04 118.33 114.44 2q3r n VAL 67 Ca 0.10 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.34 61.89 2q3r n VAL 67 Cb 0.41 1.33 0.01 0.00 -1.47 0.00 0.00 33.84 34.12 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 -1.70 -0.10 0.08 -1.34 1.04 -1.26 -4.54 113.70 105.89 2q3r s SER 68 Ca 0.19 -0.84 0.21 0.00 0.48 0.00 0.00 55.95 56.00 2q3r s SER 68 Cb 0.15 0.73 0.86 0.00 0.10 0.00 0.00 66.02 67.86 2q3r s SER 68 CO 0.30 -1.40 1.66 -0.90 0.98 0.00 0.00 173.24 173.87 2q3r n ASP 69 N -0.99 0.24 -0.47 7.02 5.68 -1.26 -2.31 116.55 124.45 2q3r n ASP 69 Ca -0.06 0.54 0.05 0.00 -0.50 0.00 0.00 54.79 54.83 2q3r n ASP 69 Cb 0.60 -0.60 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 2q3r n ASP 69 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2q3r n THR 70 N -1.75 0.32 -0.78 2.12 -2.24 -1.26 -4.49 114.28 106.20 2q3r n THR 70 Ca 0.04 -0.66 -0.16 0.00 -2.27 0.00 0.00 64.05 61.00 2q3r n THR 70 Cb 0.25 0.99 0.05 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.54 4.97 -3.13 6.98 0.00 -0.98 -4.79 120.51 124.10 2q3r n ALA 71 Ca 0.08 -1.64 -0.13 0.00 0.00 0.00 0.00 53.44 51.74 2q3r n ALA 71 Cb 0.31 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.81 0.02 0.00 0.00 1.11 -1.26 -4.09 119.66 113.62 2q3r s GLN 72 Ca 0.31 0.04 0.00 0.00 0.01 0.00 0.00 55.36 55.72 2q3r s GLN 72 Cb 0.24 -0.10 0.00 0.00 -1.01 0.00 0.00 33.01 32.14 2q3r s GLN 72 CO 0.00 -0.04 0.22 0.41 0.01 0.00 0.00 175.29 175.89 2q3r n GLY 73 N 3.40 -0.08 3.05 3.09 0.00 -1.26 -4.65 105.19 108.74 2q3r n GLY 73 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.01 0.77 0.16 1.61 2.02 -1.26 -4.72 117.35 115.92 2q3r s TYR 74 Ca 0.00 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 2q3r s TYR 74 Cb 0.00 -0.47 -0.07 0.00 -0.40 0.00 0.00 41.96 41.02 2q3r s TYR 74 CO 0.00 -0.03 1.02 1.14 -1.57 0.00 0.00 175.55 176.12 2q3r s GLN 75 N -1.00 4.67 -0.78 -0.62 -2.07 -1.26 -3.96 119.66 114.64 2q3r s GLN 75 Ca -0.03 1.57 0.00 0.00 -1.82 0.00 0.00 55.36 55.09 2q3r s GLN 75 Cb -0.07 -3.32 0.00 0.00 -1.09 0.00 0.00 33.01 28.53 2q3r s GLN 75 CO 0.00 0.19 0.00 -0.25 -1.32 0.00 0.00 175.29 173.91 2q3r n ASP 76 N 2.45 -3.16 -4.80 12.60 8.00 -1.26 -4.71 116.55 125.68 2q3r n ASP 76 Ca 0.02 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.14 2q3r n ASP 76 Cb 0.48 -2.43 -0.06 0.00 -0.02 0.00 0.00 41.12 39.08 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 -2.45 5.23 0.73 -3.53 -4.23 -1.25 0.05 115.64 110.19 2q3r s THR 77 Ca 0.00 0.62 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 2q3r s THR 77 Cb 0.00 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.25 2q3r s THR 77 CO 0.00 0.50 1.18 -2.16 -0.54 0.00 0.00 174.62 173.60 2q3r s PRO 78 N -0.39 2.19 0.45 3.99 0.04 -1.26 -4.26 135.00 135.76 2q3r s PRO 78 Ca 0.19 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.94 2q3r s PRO 78 Cb -0.14 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2q3r s PRO 78 CO 0.08 -1.78 0.03 0.20 0.04 0.00 0.00 177.00 175.57 2q3r s GLY 79 N -2.19 2.72 -0.36 0.56 0.00 -0.52 0.20 107.32 107.73 2q3r s GLY 79 Ca 0.72 -1.21 0.13 0.00 0.00 0.00 0.00 44.72 44.36 2q3r s GLY 79 CO 0.46 -2.07 1.30 4.51 0.00 0.00 0.00 173.10 177.30 2q3r n ILE 80 N -1.07 0.31 0.63 0.90 3.06 0.11 -4.71 119.36 118.59 2q3r n ILE 80 Ca -0.11 -1.81 0.07 0.00 -2.50 0.00 0.00 62.75 58.39 2q3r n ILE 80 Cb 0.67 0.97 -0.03 0.00 0.54 0.00 0.00 39.64 41.78 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 -0.72 0.00 -4.36 9.51 2.14 -1.26 -4.53 117.44 118.21 2q3r n TRP 81 Ca -0.03 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.28 2q3r n TRP 81 Cb 0.85 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 31.25 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 -1.95 2.84 0.39 -1.67 -4.23 -1.26 -5.00 115.64 104.75 2q3r s THR 82 Ca 0.09 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 58.74 2q3r s THR 82 Cb 0.11 -2.42 0.29 0.00 1.34 0.00 0.00 72.50 71.82 2q3r s THR 82 CO 0.44 -0.20 1.99 0.11 -0.54 0.00 0.00 174.62 176.42 2q3r h LYS 83 N 2.76 0.62 -0.25 3.99 1.57 -1.99 -0.77 116.57 122.50 2q3r h LYS 83 Ca -0.45 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.33 2q3r h LYS 83 Cb 1.22 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2q3r h LYS 83 CO 0.54 0.41 -0.01 1.49 -0.57 0.00 0.00 179.45 181.31 2q3r h GLU 84 N 0.64 0.07 -0.43 3.15 4.81 -1.99 -1.07 114.58 119.74 2q3r h GLU 84 Ca 0.27 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2q3r h GLU 84 Cb 0.24 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2q3r h GLU 84 CO -0.08 0.04 0.19 0.45 -0.73 0.00 0.00 179.01 178.89 2q3r h HIS 85 N 0.07 0.35 0.03 0.92 3.86 -1.50 -1.12 115.15 117.76 2q3r h HIS 85 Ca 0.12 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2q3r h HIS 85 Cb 0.15 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 2q3r h HIS 85 CO -0.20 0.17 -0.49 0.28 0.86 0.00 0.00 177.93 178.55 2q3r h VAL 86 N 0.39 0.06 0.00 2.45 2.07 -0.46 -0.86 116.25 119.91 2q3r h VAL 86 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2q3r h VAL 86 Cb 0.13 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2q3r h VAL 86 CO -0.16 0.00 -0.05 -0.08 0.02 0.00 0.00 177.57 177.30 2q3r h GLU 87 N -0.66 0.00 -0.01 1.57 4.57 -0.94 -1.96 114.58 117.16 2q3r h GLU 87 Ca 0.02 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.06 2q3r h GLU 87 Cb 0.71 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2q3r h GLU 87 CO -0.33 0.05 -0.67 0.00 -1.18 0.00 0.00 179.01 176.89 2q3r h ALA 88 N 1.95 0.87 0.00 2.92 0.00 -0.09 -3.22 119.26 121.69 2q3r h ALA 88 Ca -0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 54.91 54.09 2q3r h ALA 88 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2q3r h ALA 88 CO 0.01 0.82 -1.07 -1.49 0.00 0.00 0.00 179.25 177.52 2q3r h TRP 89 N 0.03 0.00 -0.55 0.00 4.06 -0.46 -3.38 115.95 115.65 2q3r h TRP 89 Ca -0.01 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.04 2q3r h TRP 89 Cb 1.19 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.24 2q3r h TRP 89 CO 0.00 0.93 -0.35 0.87 -3.56 0.00 0.00 178.44 176.34 2q3r h LYS 90 N 0.00 -0.19 0.00 0.49 1.57 -1.44 0.50 116.57 117.50 2q3r h LYS 90 Ca -0.06 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2q3r h LYS 90 Cb 1.76 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.11 2q3r h LYS 90 CO 0.11 -0.12 -0.11 -1.00 -0.57 0.00 0.00 179.45 177.76 2q3r h PRO 91 N -0.19 0.00 -0.16 3.15 0.13 -1.74 -0.14 132.00 133.04 2q3r h PRO 91 Ca 0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 2q3r h PRO 91 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 2q3r h PRO 91 CO -0.65 0.11 -0.14 0.82 -0.23 0.00 0.00 178.00 177.91 2q3r h ILE 92 N 0.00 1.33 -0.55 -3.56 2.04 -1.17 -2.34 117.51 113.26 2q3r h ILE 92 Ca -0.00 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 2q3r h ILE 92 Cb 0.27 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2q3r h ILE 92 CO 0.01 0.38 0.23 0.58 0.00 0.00 0.00 178.15 179.35 2q3r h VAL 93 N 0.03 1.22 -0.81 1.67 2.07 -0.72 -2.57 116.25 117.14 2q3r h VAL 93 Ca 0.03 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2q3r h VAL 93 Cb 0.66 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2q3r h VAL 93 CO 0.04 0.26 0.45 0.44 0.02 0.00 0.00 177.57 178.78 2q3r h ASP 94 N 0.75 1.00 -0.46 0.57 3.32 -1.00 -1.02 116.42 119.58 2q3r h ASP 94 Ca 0.19 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2q3r h ASP 94 Cb 0.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2q3r h ASP 94 CO -0.02 0.80 0.23 0.00 -1.72 0.00 0.00 179.24 178.53 2q3r h ALA 95 N 1.37 0.59 0.17 3.45 0.00 -1.20 0.86 119.26 124.50 2q3r h ALA 95 Ca 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2q3r h ALA 95 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2q3r h ALA 95 CO -0.05 0.14 -0.08 0.28 0.00 0.00 0.00 179.25 179.54 2q3r h VAL 96 N 0.60 0.88 -0.18 0.00 2.07 -1.05 -1.88 116.25 116.68 2q3r h VAL 96 Ca 0.16 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2q3r h VAL 96 Cb 0.10 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2q3r h VAL 96 CO -0.02 0.05 0.14 0.45 0.02 0.00 0.00 177.57 178.21 2q3r h HIS 97 N -0.32 0.00 -0.56 1.57 -0.00 -1.06 -0.75 115.15 114.03 2q3r h HIS 97 Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.42 2q3r h HIS 97 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.63 2q3r h HIS 97 CO -0.04 0.00 0.37 0.00 -0.00 0.00 0.00 177.93 178.27 2q3r h ALA 98 N 1.88 1.91 -0.57 2.45 0.00 0.03 0.14 119.26 125.10 2q3r h ALA 98 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2q3r h ALA 98 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2q3r h ALA 98 CO -0.00 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.87 2q3r n LYS 99 N -4.47 4.02 -1.20 0.00 5.02 -0.31 -4.96 118.16 116.25 2q3r n LYS 99 Ca 0.08 -2.95 -0.06 0.00 -2.02 0.00 0.00 58.31 53.36 2q3r n LYS 99 Cb 0.28 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.75 0.85 3.85 0.72 0.00 0.04 -2.13 105.19 109.27 2q3r n GLY 100 Ca 0.26 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.93 1.97 -0.22 -0.02 0.00 -1.06 -0.04 107.32 105.01 2q3r s GLY 101 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 44.72 44.75 2q3r s GLY 101 CO 0.00 0.40 0.13 -0.42 0.00 0.00 0.00 173.10 173.22 2q3r s ILE 102 N -2.75 5.24 -0.18 0.90 1.09 0.89 -4.46 121.20 121.93 2q3r s ILE 102 Ca 0.58 0.14 0.01 0.00 -1.10 0.00 0.00 60.65 60.27 2q3r s ILE 102 Cb -0.10 -3.42 0.04 0.00 -1.06 0.00 0.00 42.46 37.91 2q3r s ILE 102 CO 0.37 0.38 -0.11 0.12 -0.10 0.00 0.00 174.94 175.60 2q3r s PHE 103 N 0.82 2.27 -0.06 3.97 5.36 -1.26 -1.03 117.98 128.05 2q3r s PHE 103 Ca 0.07 -1.43 0.01 0.00 -0.96 0.00 0.00 56.93 54.62 2q3r s PHE 103 Cb -0.13 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 40.93 2q3r s PHE 103 CO 0.02 -0.71 -0.07 -0.06 -1.46 0.00 0.00 175.22 172.95 2q3r s PHE 104 N 1.45 2.94 -0.34 10.12 0.40 -0.63 -1.47 117.98 130.45 2q3r s PHE 104 Ca 0.01 0.03 -0.18 0.00 -0.60 0.00 0.00 56.93 56.19 2q3r s PHE 104 Cb -0.15 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 2q3r s PHE 104 CO -0.09 0.34 0.49 0.00 0.70 0.00 0.00 175.22 176.67 2q3r s GLN 106 N 2.34 4.49 -0.09 0.00 0.74 -1.26 -2.18 119.66 123.69 2q3r s GLN 106 Ca 0.18 1.61 0.03 0.00 0.05 0.00 0.00 55.36 57.23 2q3r s GLN 106 Cb -0.16 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 2q3r s GLN 106 CO 0.13 -0.17 -0.19 0.96 -0.55 0.00 0.00 175.29 175.46 2q3r s ILE 107 N 1.09 2.54 0.00 -2.34 -4.36 -0.01 -2.01 121.20 116.10 2q3r s ILE 107 Ca 0.56 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 60.08 2q3r s ILE 107 Cb -0.25 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2q3r s ILE 107 CO 0.28 0.55 0.00 -2.67 0.24 0.00 0.00 174.94 173.35 2q3r n TRP 108 N 3.20 -0.03 -3.59 1.37 4.27 -1.21 -0.48 117.44 120.97 2q3r n TRP 108 Ca -0.18 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.42 2q3r n TRP 108 Cb 0.53 0.00 -0.06 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 -1.77 -0.52 -1.00 -2.67 2.46 -1.26 -3.11 115.29 107.42 2q3r s HIS 109 Ca 0.00 1.01 0.17 0.00 0.47 0.00 0.00 55.06 56.71 2q3r s HIS 109 Cb 0.00 0.31 0.72 0.00 -0.13 0.00 0.00 32.58 33.49 2q3r s HIS 109 CO 0.00 -0.26 1.54 1.33 -2.47 0.00 0.00 174.74 174.88 2q3r n VAL 110 N 3.90 0.83 -0.67 0.89 0.24 -1.26 -2.33 118.33 119.94 2q3r n VAL 110 Ca -0.16 0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2q3r n VAL 110 Cb 0.56 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 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 0.25 3.16 0.23 7.63 0.00 -1.26 -0.70 105.19 114.50 2q3r n GLY 111 Ca 0.04 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.64 1.61 0.11 -1.81 -3.34 114.38 107.31 2q3r h ARG 112 Ca 0.00 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.39 2q3r h ARG 112 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2q3r h ARG 112 CO 0.00 0.00 3.37 0.28 0.10 0.00 0.00 179.97 183.72 2q3r n VAL 113 N -2.68 3.70 -3.31 0.08 0.31 0.12 -4.70 118.33 111.85 2q3r n VAL 113 Ca -0.00 -2.78 0.00 0.00 -0.01 0.00 0.00 64.34 61.55 2q3r n VAL 113 Cb 0.18 -2.59 0.00 0.00 -0.91 0.00 0.00 33.84 30.51 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 5.18 0.00 -3.06 4.52 2.88 -1.25 -4.21 113.62 117.68 2q3r n SER 114 Ca 0.62 -0.97 -0.09 0.00 -1.33 0.00 0.00 58.87 57.09 2q3r n SER 114 Cb 0.33 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.92 0.03 0.42 -3.46 6.03 -1.26 -3.58 114.94 112.20 2q3r s ASN 115 Ca 0.00 -1.11 0.08 0.00 -1.03 0.00 0.00 52.86 50.81 2q3r s ASN 115 Cb 0.00 0.83 0.91 0.00 -3.03 0.00 0.00 41.25 39.95 2q3r s ASN 115 CO 0.00 -1.63 2.06 0.77 -2.03 0.00 0.00 177.10 176.28 2q3r h SER 116 N 2.01 0.42 0.13 3.54 4.64 -1.84 -1.40 113.55 121.05 2q3r h SER 116 Ca -0.30 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2q3r h SER 116 Cb 1.25 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2q3r h SER 116 CO 0.38 0.30 -0.02 1.23 -0.87 0.00 0.00 176.83 177.85 2q3r h GLY 117 N 0.50 0.00 -1.44 -0.77 0.00 -1.89 -1.71 103.07 97.75 2q3r h GLY 117 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2q3r h GLY 117 CO -0.03 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.20 2q3r n PHE 118 N -3.51 0.23 -4.59 5.60 3.72 -0.56 -4.99 117.46 113.37 2q3r n PHE 118 Ca -0.03 -0.17 -0.34 0.00 -0.05 0.00 0.00 57.45 56.86 2q3r n PHE 118 Cb 0.12 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.20 2.73 0.39 -1.08 -1.52 -0.64 -4.67 119.66 113.67 2q3r s GLN 119 Ca 0.23 -0.57 -0.26 0.00 -1.95 0.00 0.00 55.36 52.81 2q3r s GLN 119 Cb 0.14 -2.59 -0.11 0.00 -0.22 0.00 0.00 33.01 30.24 2q3r s GLN 119 CO 0.20 0.66 1.30 -2.30 -0.25 0.00 0.00 175.29 174.90 2q3r n PRO 120 N 2.11 2.06 -1.31 2.91 -0.02 -1.26 -1.05 135.00 138.44 2q3r n PRO 120 Ca -0.17 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 2q3r n PRO 120 Cb 0.53 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.39 -5.70 -1.69 2.55 3.02 -1.26 -2.00 115.26 110.57 2q3r n ASN 121 Ca 0.05 0.26 -0.21 0.00 -0.03 0.00 0.00 54.58 54.66 2q3r n ASN 121 Cb 0.38 -4.13 -0.08 0.00 -0.61 0.00 0.00 39.78 35.34 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 0.21 1.71 3.76 7.41 0.00 -0.21 -4.96 105.19 113.11 2q3r n GLY 122 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.90 2.01 0.58 1.61 1.02 -0.85 -4.69 119.74 115.53 2q3r s LYS 123 Ca 0.00 0.98 -0.20 0.00 0.02 0.00 0.00 55.97 56.77 2q3r s LYS 123 Cb 0.00 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 2q3r s LYS 123 CO 0.00 -1.76 1.25 0.00 -0.92 0.00 0.00 175.35 173.92 2q3r s ALA 124 N -2.96 2.60 0.86 5.17 0.00 -1.26 -4.29 121.76 121.88 2q3r s ALA 124 Ca 0.61 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 -1.26 1.12 -2.14 0.00 0.00 0.00 175.76 174.05 2q3r s PRO 125 N -3.21 1.49 0.01 0.00 0.02 -1.26 -4.76 135.00 127.29 2q3r s PRO 125 Ca 0.76 1.39 0.03 0.00 0.02 0.00 0.00 61.00 63.21 2q3r s PRO 125 Cb -0.34 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 2q3r s PRO 125 CO 0.37 -2.25 -0.07 0.96 -0.33 0.00 0.00 177.00 175.69 2q3r s ILE 126 N -2.75 3.63 -0.06 2.83 -4.36 -1.26 -1.51 121.20 117.72 2q3r s ILE 126 Ca 0.65 -0.81 -0.28 0.00 -0.26 0.00 0.00 60.65 59.95 2q3r s ILE 126 Cb -0.21 -2.59 0.06 0.00 1.25 0.00 0.00 42.46 40.98 2q3r s ILE 126 CO 0.57 0.37 0.63 -0.55 0.24 0.00 0.00 174.94 176.20 2q3r s SER 127 N -1.48 -0.60 0.59 4.36 0.15 -1.02 -2.46 113.70 113.24 2q3r s SER 127 Ca 0.17 0.68 0.33 0.00 0.70 0.00 0.00 55.95 57.84 2q3r s SER 127 Cb -0.11 0.57 1.30 0.00 -1.71 0.00 0.00 66.02 66.07 2q3r s SER 127 CO 0.08 -0.56 1.56 0.00 1.20 0.00 0.00 173.24 175.52 2q3r s SER 129 N -4.17 2.74 0.00 0.00 1.04 -1.26 -4.08 113.70 107.97 2q3r s SER 129 Ca -0.04 -1.58 0.22 0.00 0.48 0.00 0.00 55.95 55.03 2q3r s SER 129 Cb 0.18 0.33 0.21 0.00 0.10 0.00 0.00 66.02 66.84 2q3r s SER 129 CO 0.62 -0.83 1.21 -0.90 0.98 0.00 0.00 173.24 174.32 2q3r n ASP 130 N -1.10 2.88 -4.63 7.02 5.75 -1.26 -3.67 116.55 121.54 2q3r n ASP 130 Ca -0.06 -1.91 -0.45 0.00 -0.01 0.00 0.00 54.79 52.36 2q3r n ASP 130 Cb 0.66 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.67 2q3r n ASP 130 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2q3r n LYS 131 N 1.24 2.26 -1.19 0.11 5.02 -1.26 -3.97 118.16 120.37 2q3r n LYS 131 Ca 0.13 0.77 -0.34 0.00 -2.02 0.00 0.00 58.31 56.86 2q3r n LYS 131 Cb 0.54 -2.90 0.12 0.00 -0.02 0.00 0.00 35.03 32.78 2q3r n LYS 131 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2q3r n PRO 132 N 7.62 0.31 -4.22 1.97 -0.04 -1.26 -4.55 135.00 134.83 2q3r n PRO 132 Ca 0.25 0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.55 2q3r n PRO 132 Cb 0.36 -2.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.25 2q3r n PRO 132 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2q3r s LEU 133 N -5.43 3.18 -1.14 1.53 2.96 -1.26 -4.74 118.68 113.78 2q3r s LEU 133 Ca 0.75 -0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 54.23 2q3r s LEU 133 Cb -0.30 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 2q3r s LEU 133 CO 0.49 0.10 0.78 0.23 -1.32 0.00 0.00 176.35 176.64 2q3r n MET 134 N 4.00 -1.09 -0.03 1.98 2.81 -1.26 -4.43 117.12 119.10 2q3r n MET 134 Ca -0.17 0.42 0.22 0.00 -1.81 0.00 0.00 57.70 56.35 2q3r n MET 134 Cb 0.52 -3.92 0.70 0.00 -0.71 0.00 0.00 33.22 29.81 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 -1.96 0.00 0.00 0.03 0.13 -1.96 -0.49 132.00 127.75 2q3r h PRO 135 Ca -0.67 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.42 2q3r h PRO 135 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 2q3r h PRO 135 CO 0.48 0.00 -0.21 -0.56 -0.23 0.00 0.00 178.00 177.48 2q3r h GLN 136 N 0.00 0.00 -6.28 0.86 -0.00 -1.97 -3.41 115.11 104.31 2q3r h GLN 136 Ca 0.28 0.00 -0.55 0.00 -0.00 0.00 0.00 58.65 58.38 2q3r h GLN 136 Cb 1.14 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 28.54 2q3r h GLN 136 CO -0.00 0.21 1.17 0.42 -0.00 0.00 0.00 178.83 180.63 2q3r s ILE 137 N -4.08 3.75 0.22 1.86 1.01 -0.20 -4.99 121.20 118.77 2q3r s ILE 137 Ca -0.02 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 2q3r s ILE 137 Cb 0.13 -4.91 -0.08 0.00 0.01 0.00 0.00 42.46 37.61 2q3r s ILE 137 CO 0.64 -1.84 1.13 -0.13 0.00 0.00 0.00 174.94 174.74 2q3r s ARG 138 N 5.62 4.58 0.00 2.79 3.00 -1.26 -1.87 118.95 131.80 2q3r s ARG 138 Ca 0.39 1.80 0.00 0.00 0.00 0.00 0.00 55.73 57.92 2q3r s ARG 138 Cb -0.06 -3.23 0.00 0.00 0.00 0.00 0.00 34.95 31.65 2q3r s ARG 138 CO 0.09 0.07 0.00 0.45 0.00 0.00 0.00 175.30 175.91 2q3r n SER 139 N 1.97 0.00 -4.04 0.23 2.88 -1.23 -4.68 113.62 108.75 2q3r n SER 139 Ca 0.02 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2q3r n SER 139 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 2q3r n SER 139 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2q3r n ASN 140 N 0.00 -0.92 0.00 -3.46 6.94 -1.26 -3.87 115.26 112.68 2q3r n ASN 140 Ca 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 2q3r n ASN 140 Cb 0.00 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 2q3r n ASN 140 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2q3r n GLY 141 N 4.51 0.69 3.20 4.83 0.00 -1.26 -4.91 105.19 112.25 2q3r n GLY 141 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.39 -0.61 5.41 -1.25 -4.83 119.36 118.47 2q3r n ILE 142 Ca 0.00 -0.26 0.07 0.00 1.00 0.00 0.00 62.75 63.55 2q3r n ILE 142 Cb 0.00 -0.35 0.21 0.00 -0.71 0.00 0.00 39.64 38.79 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 0.63 2.77 -3.05 4.38 3.85 -1.26 -4.22 116.55 119.65 2q3r n ASP 143 Ca 0.01 -2.14 0.00 0.00 -0.71 0.00 0.00 54.79 51.96 2q3r n ASP 143 Cb 0.60 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 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 0.71 0.43 -4.60 0.11 2.13 -1.26 -4.93 120.64 113.23 2q3r n GLU 144 Ca 0.16 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.67 2q3r n GLU 144 Cb 0.49 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.07 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 -3.24 2.57 0.02 4.31 0.00 -1.26 -3.58 121.76 120.58 2q3r s ALA 145 Ca 0.00 -1.24 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 2q3r s ALA 145 Cb 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 23.12 22.26 2q3r s ALA 145 CO 0.00 0.57 1.41 1.25 0.00 0.00 0.00 175.76 178.99 2q3r h LEU 146 N 4.38 0.06 -8.68 0.00 5.85 -1.65 -3.39 115.31 111.88 2q3r h LEU 146 Ca -0.48 -0.36 -0.63 0.00 0.84 0.00 0.00 57.88 57.26 2q3r h LEU 146 Cb 1.16 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.04 2q3r h LEU 146 CO 0.47 0.40 0.33 -0.36 -0.34 0.00 0.00 178.44 178.94 2q3r s PHE 147 N -4.78 3.04 -0.08 1.25 0.40 -1.26 -4.87 117.98 111.68 2q3r s PHE 147 Ca -0.15 0.26 -0.33 0.00 -0.60 0.00 0.00 56.93 56.11 2q3r s PHE 147 Cb 0.03 -3.53 -0.11 0.00 0.51 0.00 0.00 43.02 39.92 2q3r s PHE 147 CO 0.68 -0.88 1.93 2.41 0.70 0.00 0.00 175.22 180.05 2q3r n THR 148 N 5.99 0.61 -1.57 0.64 -1.04 -1.24 -4.54 114.28 113.12 2q3r n THR 148 Ca 0.02 -0.13 -0.47 0.00 -2.04 0.00 0.00 64.05 61.43 2q3r n THR 148 Cb 0.48 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 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 6.98 1.14 -2.53 -2.82 -0.02 -1.26 -4.42 135.00 132.06 2q3r n PRO 149 Ca 0.23 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.76 2q3r n PRO 149 Cb 0.32 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.92 3.92 -0.20 0.52 0.04 -1.25 -4.42 135.00 132.69 2q3r s PRO 150 Ca 0.66 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.96 2q3r s PRO 150 Cb -0.80 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 2q3r s PRO 150 CO 0.56 -0.34 0.53 0.50 0.04 0.00 0.00 177.00 178.29 2q3r s ARG 151 N -2.95 4.19 0.13 4.56 3.52 -0.57 -4.01 118.95 123.82 2q3r s ARG 151 Ca 0.64 0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 56.36 2q3r s ARG 151 Cb -0.19 -3.57 -0.10 0.00 -1.56 0.00 0.00 34.95 29.53 2q3r s ARG 151 CO 0.23 -0.16 1.73 0.50 -0.81 0.00 0.00 175.30 176.79 2q3r s ARG 152 N 1.68 4.16 0.06 5.12 3.52 -1.24 -2.43 118.95 129.83 2q3r s ARG 152 Ca 0.24 2.49 -0.31 0.00 -0.13 0.00 0.00 55.73 58.03 2q3r s ARG 152 Cb -0.15 -3.45 -0.08 0.00 -1.56 0.00 0.00 34.95 29.70 2q3r s ARG 152 CO 0.10 -0.76 1.67 -0.51 -0.81 0.00 0.00 175.30 174.99 2q3r s LEU 153 N 2.24 4.37 0.53 -0.88 1.43 -0.89 -4.95 118.68 120.52 2q3r s LEU 153 Ca 0.76 2.49 -0.21 0.00 -1.03 0.00 0.00 54.13 56.14 2q3r s LEU 153 Cb -0.45 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.16 2q3r s LEU 153 CO 0.34 -0.90 1.22 -0.83 0.23 0.00 0.00 176.35 176.41 2q3r s GLY 154 N 2.58 2.78 0.13 -3.19 0.00 -1.26 -4.93 107.32 103.44 2q3r s GLY 154 Ca 0.75 1.05 -0.19 0.00 0.00 0.00 0.00 44.72 46.33 2q3r s GLY 154 CO 0.33 1.49 1.75 1.19 0.00 0.00 0.00 173.10 177.86 2q3r h ILE 155 N 1.41 0.93 0.00 0.90 6.09 -2.02 -0.36 117.51 124.45 2q3r h ILE 155 Ca -0.50 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 2q3r h ILE 155 Cb 1.28 0.74 0.00 0.00 0.47 0.00 0.00 36.82 39.31 2q3r h ILE 155 CO 0.58 0.03 0.00 -0.62 -3.07 0.00 0.00 178.15 175.07 2q3r n GLU 156 N -5.05 0.64 -0.06 2.19 1.02 -1.26 -2.71 120.64 115.41 2q3r n GLU 156 Ca -0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 2q3r n GLU 156 Cb 0.09 -1.04 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.42 0.67 -0.11 3.49 1.02 -0.15 -4.52 120.64 120.62 2q3r n GLU 157 Ca 0.00 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.11 2q3r n GLU 157 Cb 0.02 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.60 -0.76 -3.67 5.03 -1.52 -2.86 117.51 114.33 2q3r h ILE 158 Ca -0.37 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.54 2q3r h ILE 158 Cb 1.92 0.60 -0.12 0.00 -3.03 0.00 0.00 36.82 36.19 2q3r h ILE 158 CO 0.03 0.00 0.12 -0.65 -0.68 0.00 0.00 178.15 176.98 2q3r h PRO 159 N -0.01 0.19 0.00 2.37 0.11 -1.81 0.22 132.00 133.08 2q3r h PRO 159 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2q3r h PRO 159 Cb 0.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2q3r h PRO 159 CO -0.40 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 177.93 2q3r n GLY 160 N -1.38 -0.88 0.52 -0.55 0.00 -1.08 -2.16 105.19 99.66 2q3r n GLY 160 Ca 0.15 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2q3r n GLY 160 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2q3r n ILE 161 N -0.77 0.92 -0.18 -0.61 5.41 0.57 -4.30 119.36 120.41 2q3r n ILE 161 Ca 0.12 -0.15 0.13 0.00 1.00 0.00 0.00 62.75 63.85 2q3r n ILE 161 Cb 0.05 -1.75 0.46 0.00 -0.71 0.00 0.00 39.64 37.69 2q3r n ILE 161 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2q3r h VAL 162 N -0.55 0.84 0.00 1.39 2.07 -1.02 0.16 116.25 119.14 2q3r h VAL 162 Ca -0.34 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2q3r h VAL 162 Cb 1.23 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2q3r h VAL 162 CO -0.20 0.09 -0.06 -1.13 0.02 0.00 0.00 177.57 176.29 2q3r h ASN 163 N 0.50 0.00 0.57 0.57 -0.73 -1.66 -1.24 115.58 113.59 2q3r h ASN 163 Ca 0.37 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.40 2q3r h ASN 163 Cb 0.72 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.29 2q3r h ASN 163 CO -0.13 0.06 -0.64 0.44 -0.37 0.00 0.00 177.43 176.79 2q3r h ASP 164 N 0.00 0.08 1.71 1.15 3.32 -0.86 -0.27 116.42 121.55 2q3r h ASP 164 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2q3r h ASP 164 Cb 0.50 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2q3r h ASP 164 CO 0.01 0.70 -0.07 -0.26 -1.72 0.00 0.00 179.24 177.89 2q3r h PHE 165 N 0.05 0.00 0.08 4.55 -1.00 -1.22 -0.93 116.94 118.47 2q3r h PHE 165 Ca -0.01 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2q3r h PHE 165 Cb 1.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.70 2q3r h PHE 165 CO 0.01 0.00 -0.04 -0.09 -1.61 0.00 0.00 178.31 176.58 2q3r h ARG 166 N 0.00 -0.10 -0.11 1.51 2.43 -0.56 -3.05 114.38 114.50 2q3r h ARG 166 Ca 0.00 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2q3r h ARG 166 Cb 0.89 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2q3r h ARG 166 CO 0.00 0.45 -0.27 1.25 -1.51 0.00 0.00 179.97 179.90 2q3r h LEU 167 N -0.85 0.19 -0.08 3.80 5.85 -1.08 -2.71 115.31 120.43 2q3r h LEU 167 Ca -0.01 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2q3r h LEU 167 Cb 0.60 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2q3r h LEU 167 CO 0.02 0.46 0.05 0.00 -0.34 0.00 0.00 178.44 178.63 2q3r h ALA 168 N 1.55 0.10 -0.12 1.25 0.00 -1.25 0.32 119.26 121.11 2q3r h ALA 168 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2q3r h ALA 168 Cb 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2q3r h ALA 168 CO 0.04 -0.41 0.09 0.00 0.00 0.00 0.00 179.25 178.97 2q3r h ALA 169 N 1.02 2.00 -0.03 0.00 0.00 -1.38 -0.08 119.26 120.78 2q3r h ALA 169 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2q3r h ALA 169 Cb -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2q3r h ALA 169 CO -0.01 -0.02 -0.02 -0.09 0.00 0.00 0.00 179.25 179.11 2q3r h ARG 170 N 0.10 0.07 -0.04 0.00 9.65 -0.77 -2.73 114.38 120.66 2q3r h ARG 170 Ca 0.05 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 2q3r h ARG 170 Cb 0.09 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 2q3r h ARG 170 CO -0.01 0.51 -0.24 -0.91 2.80 0.00 0.00 179.97 182.13 2q3r h ASN 171 N -0.37 0.07 0.37 -3.80 2.35 0.22 -1.57 115.58 112.85 2q3r h ASN 171 Ca 0.01 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2q3r h ASN 171 Cb 0.49 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2q3r h ASN 171 CO 0.01 0.31 -0.20 0.00 -1.65 0.00 0.00 177.43 175.90 2q3r h ALA 172 N 1.69 -0.53 -0.88 -0.83 0.00 -0.97 -0.87 119.26 116.87 2q3r h ALA 172 Ca 0.01 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2q3r h ALA 172 Cb 0.46 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2q3r h ALA 172 CO 0.03 -0.80 0.55 0.52 0.00 0.00 0.00 179.25 179.55 2q3r h MET 173 N -0.53 0.98 -0.90 0.00 2.86 -1.18 -0.85 114.93 115.31 2q3r h MET 173 Ca -0.04 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2q3r h MET 173 Cb 0.42 -0.22 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 2q3r h MET 173 CO 0.06 0.65 0.58 1.49 1.06 0.00 0.00 176.91 180.75 2q3r h GLU 174 N 1.01 0.87 0.00 1.72 4.81 -0.74 0.37 114.58 122.62 2q3r h GLU 174 Ca 0.38 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2q3r h GLU 174 Cb 0.15 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2q3r h GLU 174 CO -0.17 0.58 0.00 0.00 -0.73 0.00 0.00 179.01 178.69 2q3r n ALA 175 N -2.40 2.20 -0.06 2.92 0.00 -0.38 -4.92 120.51 117.86 2q3r n ALA 175 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2q3r n ALA 175 Cb 0.30 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.18 0.88 3.72 0.00 0.00 0.13 -4.19 105.19 106.91 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 -2.05 2.04 0.06 1.61 3.01 -0.92 -4.92 117.46 116.30 2q3r n PHE 177 Ca 0.00 0.44 -0.08 0.00 1.01 0.00 0.00 57.45 58.82 2q3r n PHE 177 Cb 0.00 -2.32 0.05 0.00 -0.01 0.00 0.00 39.48 37.20 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 1.27 0.40 -1.92 4.37 3.32 -1.61 -3.42 116.42 118.83 2q3r h ASP 178 Ca -0.50 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.30 2q3r h ASP 178 Cb 1.32 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2q3r h ASP 178 CO 0.56 0.97 0.17 0.61 -1.72 0.00 0.00 179.24 179.84 2q3r n GLY 179 N 0.49 1.37 3.21 2.75 0.00 -1.21 -4.83 105.19 106.97 2q3r n GLY 179 Ca -0.04 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.50 1.48 -0.21 1.61 1.01 0.30 -1.65 120.40 120.44 2q3r s VAL 180 Ca 0.09 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2q3r s VAL 180 Cb -0.02 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.12 2q3r s VAL 180 CO 0.05 0.23 -0.11 -0.70 0.00 0.00 0.00 175.10 174.57 2q3r s GLU 181 N -0.93 2.16 -0.07 2.72 2.12 -0.93 0.90 118.70 124.67 2q3r s GLU 181 Ca 0.06 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 54.12 2q3r s GLU 181 Cb -0.08 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 2q3r s GLU 181 CO 0.01 -0.45 1.07 0.42 -0.54 0.00 0.00 175.26 175.77 2q3r s ILE 182 N 1.31 4.60 -1.13 -3.70 1.01 0.34 -0.83 121.20 122.79 2q3r s ILE 182 Ca -0.03 1.88 -0.18 0.00 0.00 0.00 0.00 60.65 62.33 2q3r s ILE 182 Cb -0.17 -4.21 0.11 0.00 0.01 0.00 0.00 42.46 38.20 2q3r s ILE 182 CO -0.08 0.02 1.45 -2.28 0.00 0.00 0.00 174.94 174.05 2q3r s HIS 183 N 1.94 3.04 -0.45 3.97 2.46 0.37 0.11 115.29 126.72 2q3r s HIS 183 Ca 0.51 -1.59 0.04 0.00 0.47 0.00 0.00 55.06 54.50 2q3r s HIS 183 Cb -0.21 -4.50 0.61 0.00 -0.13 0.00 0.00 32.58 28.35 2q3r s HIS 183 CO 0.21 -1.63 1.85 0.41 -2.47 0.00 0.00 174.74 173.10 2q3r n GLY 184 N 5.30 4.78 0.00 1.59 0.00 0.23 -4.60 105.19 112.49 2q3r n GLY 184 Ca 0.36 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.11 0.00 -4.26 4.61 0.00 -0.55 -4.12 120.51 115.07 2q3r n ALA 185 Ca 0.56 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.64 2q3r n ALA 185 Cb 1.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.83 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 -1.25 -2.03 0.00 0.00 3.02 -1.26 -2.27 115.26 111.47 2q3r n ASN 186 Ca 0.00 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2q3r n ASN 186 Cb 0.00 -2.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.74 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 -1.56 0.20 3.89 7.41 0.00 -1.24 -4.76 105.19 109.12 2q3r n GLY 187 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.40 3.47 0.00 1.61 2.02 -0.96 -4.54 117.35 117.55 2q3r s TYR 188 Ca 0.00 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 2q3r s TYR 188 Cb 0.00 -2.27 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2q3r s TYR 188 CO 0.00 0.05 0.00 -0.11 -1.57 0.00 0.00 175.55 173.92 2q3r n LEU 189 N -1.06 0.00 0.11 -1.29 7.94 -0.98 0.13 117.00 121.85 2q3r n LEU 189 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 2q3r n LEU 189 Cb 0.54 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.41 2q3r n LEU 189 CO 0.48 0.00 0.59 0.40 -1.11 0.00 0.00 177.39 177.75 2q3r h ILE 190 N 0.00 0.87 -0.38 1.96 2.04 -1.81 -2.74 117.51 117.45 2q3r h ILE 190 Ca 0.00 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.29 2q3r h ILE 190 Cb 0.00 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2q3r h ILE 190 CO 0.00 0.14 0.26 -0.78 0.00 0.00 0.00 178.15 177.77 2q3r h ASP 191 N -0.63 0.13 -0.25 1.72 3.58 0.97 0.97 116.42 122.92 2q3r h ASP 191 Ca -0.03 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.50 2q3r h ASP 191 Cb 0.45 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2q3r h ASP 191 CO 0.05 0.08 0.19 1.56 -2.88 0.00 0.00 179.24 178.25 2q3r h GLN 192 N 0.15 0.00 0.21 0.28 4.20 -1.02 -2.05 115.11 116.88 2q3r h GLN 192 Ca 0.17 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.55 2q3r h GLN 192 Cb 0.50 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.30 2q3r h GLN 192 CO -0.02 0.00 -1.52 0.74 -0.67 0.00 0.00 178.83 177.36 2q3r h PHE 193 N 0.00 0.82 -0.28 2.96 -1.00 -0.75 -3.26 116.94 115.44 2q3r h PHE 193 Ca 0.12 -0.60 -0.12 0.00 2.81 0.00 0.00 57.97 60.18 2q3r h PHE 193 Cb 0.51 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 2q3r h PHE 193 CO 0.00 1.54 -0.34 0.52 -1.61 0.00 0.00 178.31 178.42 2q3r h MET 194 N 0.12 0.60 -6.20 1.51 2.86 -1.25 -3.43 114.93 109.15 2q3r h MET 194 Ca -0.26 -0.28 -0.56 0.00 -2.06 0.00 0.00 59.70 56.54 2q3r h MET 194 Cb 2.12 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.73 2q3r h MET 194 CO 0.24 0.86 0.67 0.15 1.06 0.00 0.00 176.91 179.88 2q3r s LYS 195 N -4.37 4.36 0.25 1.72 -0.14 -0.83 -4.83 119.74 115.89 2q3r s LYS 195 Ca -0.08 1.42 -0.05 0.00 -1.36 0.00 0.00 55.97 55.91 2q3r s LYS 195 Cb 0.13 -3.58 0.34 0.00 -1.68 0.00 0.00 37.83 33.03 2q3r s LYS 195 CO 0.82 -0.44 1.88 0.38 -0.76 0.00 0.00 175.35 177.23 2q3r h ASP 196 N 7.29 0.98 0.39 2.83 3.04 -1.81 0.70 116.42 129.85 2q3r h ASP 196 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 2q3r h ASP 196 Cb 1.12 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 39.20 2q3r h ASP 196 CO 0.90 0.65 0.00 0.71 -2.04 0.00 0.00 179.24 179.46 2q3r h THR 197 N 1.13 0.00 0.00 1.15 1.35 -1.93 -3.15 112.91 111.47 2q3r h THR 197 Ca 0.39 -0.15 -0.31 0.00 -0.55 0.00 0.00 66.41 65.79 2q3r h THR 197 Cb 0.09 0.87 -0.05 0.00 -1.73 0.00 0.00 68.15 67.34 2q3r h THR 197 CO -0.15 0.00 -2.08 0.52 -0.25 0.00 0.00 175.52 173.56 2q3r n VAL 198 N -2.50 1.07 -2.97 6.82 0.31 -0.25 -4.94 118.33 115.88 2q3r n VAL 198 Ca -0.00 -0.32 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 2q3r n VAL 198 Cb 0.14 -1.55 -0.05 0.00 -0.91 0.00 0.00 33.84 31.47 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 -6.43 6.80 -0.04 4.52 3.84 0.23 -4.55 114.94 119.30 2q3r s ASN 199 Ca -0.27 0.98 0.10 0.00 0.21 0.00 0.00 52.86 53.88 2q3r s ASN 199 Cb 0.09 -2.41 0.17 0.00 -0.55 0.00 0.00 41.25 38.56 2q3r s ASN 199 CO 0.37 -0.42 1.08 -0.90 -2.79 0.00 0.00 177.10 174.44 2q3r n ASP 200 N 5.58 0.80 -4.74 -4.21 5.75 -1.26 -4.53 116.55 113.94 2q3r n ASP 200 Ca 0.03 -2.36 -0.32 0.00 -0.01 0.00 0.00 54.79 52.12 2q3r n ASP 200 Cb 0.48 -0.29 0.09 0.00 -1.03 0.00 0.00 41.12 40.37 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 -0.83 2.19 -0.23 0.11 0.52 -1.26 -4.85 118.95 114.60 2q3r s ARG 201 Ca 0.16 1.41 -0.02 0.00 -0.52 0.00 0.00 55.73 56.76 2q3r s ARG 201 Cb 0.16 -1.87 -0.18 0.00 0.52 0.00 0.00 34.95 33.58 2q3r s ARG 201 CO -0.03 -1.73 -0.12 0.25 0.02 0.00 0.00 175.30 173.69 2q3r n THR 202 N -3.15 1.55 -0.57 0.02 -2.24 -1.26 -2.69 114.28 105.93 2q3r n THR 202 Ca 0.11 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 2q3r n THR 202 Cb 0.52 -1.54 0.21 0.00 -2.10 0.00 0.00 70.33 67.42 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 -3.43 -2.37 0.00 3.42 3.85 -1.26 -4.63 116.55 112.13 2q3r n ASP 203 Ca -0.44 -0.22 0.00 0.00 -0.71 0.00 0.00 54.79 53.42 2q3r n ASP 203 Cb 0.98 -1.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.73 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 -3.15 0.00 0.04 0.11 0.28 -1.26 -0.18 120.64 116.47 2q3r n GLU 204 Ca 0.02 0.35 0.12 0.00 -0.16 0.00 0.00 57.16 57.49 2q3r n GLU 204 Cb 0.58 -1.61 0.26 0.00 1.43 0.00 0.00 31.44 32.10 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 -1.34 0.38 -4.21 -1.84 4.01 -1.26 -4.57 117.16 108.32 2q3r n TYR 205 Ca 0.00 0.11 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 2q3r n TYR 205 Cb 0.11 -0.55 -0.10 0.00 -0.31 0.00 0.00 39.34 38.49 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 -3.40 0.93 0.00 2.72 0.00 0.74 -4.11 107.32 104.20 2q3r s GLY 206 Ca 0.09 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.38 2q3r s GLY 206 CO 0.69 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.88 2q3r n GLY 207 N -0.12 1.07 3.32 0.20 0.00 -1.10 -4.48 105.19 104.08 2q3r n GLY 207 Ca -0.11 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.00 -1.06 0.01 1.61 1.04 -1.26 -4.73 113.70 105.31 2q3r s SER 208 Ca 0.00 0.75 -0.25 0.00 0.48 0.00 0.00 55.95 56.93 2q3r s SER 208 Cb 0.00 -1.04 -0.16 0.00 0.10 0.00 0.00 66.02 64.92 2q3r s SER 208 CO 0.00 -5.35 1.20 0.25 0.98 0.00 0.00 173.24 170.32 2q3r h LEU 209 N -3.41 -0.40 -2.31 2.42 5.85 -1.97 -2.42 115.31 113.07 2q3r h LEU 209 Ca -0.41 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.17 2q3r h LEU 209 Cb 1.33 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 2q3r h LEU 209 CO 0.26 -0.02 0.06 1.56 -0.34 0.00 0.00 178.44 179.96 2q3r h GLN 210 N -0.82 0.00 -0.10 1.25 4.20 -1.99 -2.14 115.11 115.51 2q3r h GLN 210 Ca -0.05 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 2q3r h GLN 210 Cb 0.52 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.31 2q3r h GLN 210 CO 0.08 0.00 -0.50 -0.91 -0.67 0.00 0.00 178.83 176.83 2q3r h ASN 211 N 0.00 0.61 0.08 1.46 2.35 -1.78 -3.22 115.58 115.09 2q3r h ASN 211 Ca 0.03 -0.64 -0.01 0.00 -0.55 0.00 0.00 56.30 55.12 2q3r h ASN 211 Cb 0.15 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2q3r h ASN 211 CO -0.00 1.16 -0.07 0.03 -1.65 0.00 0.00 177.43 176.90 2q3r h ARG 212 N 0.11 0.00 -0.08 0.81 3.08 -0.88 -2.18 114.38 115.24 2q3r h ARG 212 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2q3r h ARG 212 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2q3r h ARG 212 CO 0.10 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 2q3r h LYS 214 N 1.18 -0.39 0.06 0.00 1.63 -1.46 -2.03 116.57 115.55 2q3r h LYS 214 Ca 0.00 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 2q3r h LYS 214 Cb 0.26 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 2q3r h LYS 214 CO 0.00 -0.26 -0.29 0.35 -3.45 0.00 0.00 179.45 175.80 2q3r h PHE 215 N -0.41 -0.80 -0.65 1.91 3.57 -1.80 0.01 116.94 118.78 2q3r h PHE 215 Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2q3r h PHE 215 Cb 0.34 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2q3r h PHE 215 CO -0.09 -0.39 0.43 -1.00 -2.23 0.00 0.00 178.31 175.02 2q3r h PRO 216 N -0.48 0.85 -0.01 6.41 0.13 -1.82 -1.94 132.00 135.13 2q3r h PRO 216 Ca 0.05 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2q3r h PRO 216 Cb 0.53 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 2q3r h PRO 216 CO -0.21 0.56 -0.16 -0.07 -0.23 0.00 0.00 178.00 177.89 2q3r h LEU 217 N 0.88 0.02 -0.63 1.56 3.38 -1.02 -1.16 115.31 118.34 2q3r h LEU 217 Ca 0.24 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 2q3r h LEU 217 Cb -0.10 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2q3r h LEU 217 CO -0.05 0.18 -0.55 -0.33 0.09 0.00 0.00 178.44 177.78 2q3r h GLU 218 N 0.02 0.39 -0.16 1.13 5.08 -0.31 -2.38 114.58 118.35 2q3r h GLU 218 Ca 0.00 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 57.97 2q3r h GLU 218 Cb 0.30 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2q3r h GLU 218 CO 0.02 0.84 -0.49 0.82 -1.00 0.00 0.00 179.01 179.20 2q3r h ILE 219 N 0.30 1.33 -0.96 3.13 2.04 -0.63 -2.52 117.51 120.21 2q3r h ILE 219 Ca 0.00 -1.75 0.08 0.00 1.00 0.00 0.00 64.86 64.19 2q3r h ILE 219 Cb 1.06 2.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.07 2q3r h ILE 219 CO 0.09 0.54 0.62 0.58 0.00 0.00 0.00 178.15 179.98 2q3r h VAL 220 N 0.28 1.04 0.53 1.67 2.07 -1.21 -2.41 116.25 118.22 2q3r h VAL 220 Ca -0.02 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2q3r h VAL 220 Cb 1.11 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2q3r h VAL 220 CO 0.11 0.20 -0.34 -0.78 0.02 0.00 0.00 177.57 176.77 2q3r h ASP 221 N 1.07 -0.87 0.17 0.57 3.58 -1.14 -2.32 116.42 117.48 2q3r h ASP 221 Ca 0.43 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.95 2q3r h ASP 221 Cb 0.26 0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 2q3r h ASP 221 CO -0.18 -0.52 -0.41 0.00 -2.88 0.00 0.00 179.24 175.26 2q3r h ALA 222 N -1.38 -0.75 -0.45 -0.78 0.00 -1.29 -2.22 119.26 112.39 2q3r h ALA 222 Ca -0.07 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2q3r h ALA 222 Cb 0.66 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 2q3r h ALA 222 CO 0.06 -0.98 -0.22 0.28 0.00 0.00 0.00 179.25 178.38 2q3r h VAL 223 N -0.67 0.36 -0.49 0.00 2.07 -1.52 0.13 116.25 116.13 2q3r h VAL 223 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2q3r h VAL 223 Cb 0.68 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2q3r h VAL 223 CO -0.21 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.64 2q3r h ALA 224 N 1.14 0.63 0.00 1.67 0.00 -1.32 0.05 119.26 121.43 2q3r h ALA 224 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2q3r h ALA 224 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2q3r h ALA 224 CO -0.53 0.16 0.00 0.87 0.00 0.00 0.00 179.25 179.75 2q3r h LYS 225 N 0.65 0.00 0.00 0.00 1.57 -0.84 1.62 116.57 119.57 2q3r h LYS 225 Ca 0.17 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.77 2q3r h LYS 225 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2q3r h LYS 225 CO -0.03 0.00 -1.47 -1.91 -0.57 0.00 0.00 179.45 175.47 2q3r n GLU 226 N -3.03 0.62 0.00 3.15 4.07 0.40 -4.64 120.64 121.20 2q3r n GLU 226 Ca -0.01 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 2q3r n GLU 226 Cb 0.20 -1.79 0.00 0.00 -0.06 0.00 0.00 31.44 29.79 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 -2.88 0.00 0.00 6.31 -5.35 -0.15 -4.86 119.36 112.43 2q3r n ILE 227 Ca -0.11 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2q3r n ILE 227 Cb 0.86 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.72 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 0.30 1.97 0.40 3.28 0.00 0.55 -4.77 105.19 106.92 2q3r n GLY 228 Ca 0.00 -1.04 0.19 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.02 1.61 0.13 -1.79 0.25 132.00 132.17 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 -3.39 0.12 -2.52 1.44 5.68 -1.26 -1.07 116.55 115.55 2q3r n ASP 230 Ca 0.08 -1.96 -0.02 0.00 -0.50 0.00 0.00 54.79 52.39 2q3r n ASP 230 Cb 0.74 -0.01 0.05 0.00 -1.14 0.00 0.00 41.12 40.76 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 -0.45 1.69 -3.66 0.11 1.74 0.88 -4.71 116.66 112.25 2q3r n ARG 231 Ca 0.02 -3.36 -0.09 0.00 -0.77 0.00 0.00 57.85 53.65 2q3r n ARG 231 Cb 0.02 -1.46 -0.08 0.00 -1.02 0.00 0.00 32.46 29.92 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 -3.35 -0.01 0.06 1.55 1.01 -1.21 0.11 120.40 118.56 2q3r s VAL 232 Ca 0.31 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2q3r s VAL 232 Cb 0.34 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 2q3r s VAL 232 CO -0.05 0.01 0.01 0.61 0.00 0.00 0.00 175.10 175.68 2q3r n GLY 233 N 4.19 4.08 3.44 4.51 0.00 0.26 -1.08 105.19 120.60 2q3r n GLY 233 Ca -0.21 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.39 -0.14 -0.19 -0.61 2.07 -0.88 -0.50 121.20 119.55 2q3r s ILE 234 Ca 0.01 0.06 -0.16 0.00 -1.41 0.00 0.00 60.65 59.14 2q3r s ILE 234 Cb 0.00 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 2q3r s ILE 234 CO 0.01 0.02 0.42 -0.60 -1.91 0.00 0.00 174.94 172.87 2q3r s ARG 235 N 1.71 4.19 0.10 3.50 3.52 0.30 -1.05 118.95 131.22 2q3r s ARG 235 Ca -0.09 0.24 0.07 0.00 -0.13 0.00 0.00 55.73 55.83 2q3r s ARG 235 Cb -0.08 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2q3r s ARG 235 CO -0.16 -0.03 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.61 2q3r s LEU 236 N 1.27 2.32 -0.41 -0.88 1.43 0.84 0.76 118.68 124.02 2q3r s LEU 236 Ca 0.20 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2q3r s LEU 236 Cb -0.15 -0.75 0.25 0.00 0.03 0.00 0.00 46.19 45.58 2q3r s LEU 236 CO 0.08 -0.01 0.60 -1.54 0.23 0.00 0.00 176.35 175.71 2q3r n SER 237 N 0.97 -0.38 0.30 2.29 3.41 -1.26 -2.76 113.62 116.19 2q3r n SER 237 Ca -0.19 -2.82 0.15 0.00 -0.26 0.00 0.00 58.87 55.76 2q3r n SER 237 Cb 0.54 -0.18 0.92 0.00 -0.26 0.00 0.00 64.21 65.24 2q3r n SER 237 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2q3r h PRO 238 N 3.96 0.00 -0.38 4.33 0.13 -1.88 -2.51 132.00 135.65 2q3r h PRO 238 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2q3r h PRO 238 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2q3r h PRO 238 CO 0.44 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.40 2q3r n PHE 239 N -3.82 0.50 -3.27 1.56 3.01 -1.26 -4.53 117.46 109.65 2q3r n PHE 239 Ca -0.03 -0.25 -0.18 0.00 1.01 0.00 0.00 57.45 58.00 2q3r n PHE 239 Cb 0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.50 4.35 -0.01 4.37 0.00 -0.95 -4.83 121.76 123.19 2q3r s ALA 240 Ca 0.38 -1.61 0.10 0.00 0.00 0.00 0.00 51.96 50.82 2q3r s ALA 240 Cb 0.21 -1.57 0.17 0.00 0.00 0.00 0.00 23.12 21.94 2q3r s ALA 240 CO 0.30 -0.17 1.07 -0.40 0.00 0.00 0.00 175.76 176.56 2q3r n ASP 241 N -1.72 0.49 -4.65 0.00 5.75 -1.26 -3.63 116.55 111.53 2q3r n ASP 241 Ca 0.04 -2.10 -0.47 0.00 -0.01 0.00 0.00 54.79 52.25 2q3r n ASP 241 Cb 0.59 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.08 2.10 -3.45 2.11 9.36 -1.26 -2.06 117.16 124.04 2q3r n TYR 242 Ca 0.03 0.35 -0.21 0.00 3.32 0.00 0.00 57.90 61.39 2q3r n TYR 242 Cb 0.85 -2.50 0.06 0.00 -0.63 0.00 0.00 39.34 37.12 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 3.27 -2.70 -4.02 2.98 2.81 -1.26 -2.70 117.12 115.49 2q3r n MET 243 Ca 0.17 0.71 -0.31 0.00 -1.81 0.00 0.00 57.70 56.47 2q3r n MET 243 Cb 0.26 -5.25 0.00 0.00 -0.71 0.00 0.00 33.22 27.53 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 -3.73 -4.31 -0.49 0.03 1.02 -0.91 -4.83 120.64 107.41 2q3r n GLU 244 Ca -0.13 0.49 0.10 0.00 -0.02 0.00 0.00 57.16 57.60 2q3r n GLU 244 Cb 0.62 -5.18 0.32 0.00 -0.02 0.00 0.00 31.44 27.18 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 -2.81 4.31 -4.76 1.62 3.41 -0.87 -4.71 113.62 109.80 2q3r n SER 245 Ca -0.02 -2.30 -0.36 0.00 -0.26 0.00 0.00 58.87 55.92 2q3r n SER 245 Cb 0.55 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.00 2.73 0.10 5.00 0.00 -1.24 -4.51 107.32 108.40 2q3r s GLY 246 Ca 0.47 0.97 0.08 0.00 0.00 0.00 0.00 44.72 46.24 2q3r s GLY 246 CO 0.25 1.37 -0.17 -0.35 0.00 0.00 0.00 173.10 174.21 2q3r s ASP 247 N -1.53 3.92 0.53 1.64 -1.08 -1.26 -4.00 116.67 114.88 2q3r s ASP 247 Ca 0.72 -0.51 0.31 0.00 -0.52 0.00 0.00 52.55 52.55 2q3r s ASP 247 Cb -0.29 -0.59 1.40 0.00 -1.46 0.00 0.00 42.92 41.98 2q3r s ASP 247 CO 0.33 0.20 2.01 0.71 0.52 0.00 0.00 175.17 178.94 2q3r h THR 248 N 3.63 0.29 -1.81 1.71 1.35 -1.96 -3.32 112.91 112.79 2q3r h THR 248 Ca -0.49 -0.62 -0.51 0.00 -0.55 0.00 0.00 66.41 64.24 2q3r h THR 248 Cb 1.16 1.48 -0.35 0.00 -1.73 0.00 0.00 68.15 68.71 2q3r h THR 248 CO 0.47 0.09 -0.98 -3.20 -0.25 0.00 0.00 175.52 171.65 2q3r n ASN 249 N -3.31 -0.51 0.06 5.36 2.85 -1.26 -4.97 115.26 113.48 2q3r n ASN 249 Ca -0.01 -2.69 0.06 0.00 -0.11 0.00 0.00 54.58 51.84 2q3r n ASN 249 Cb 0.29 -0.23 0.30 0.00 1.24 0.00 0.00 39.78 41.39 2q3r n ASN 249 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2q3r n PRO 250 N 1.86 0.07 0.07 1.20 -0.04 -1.25 -2.22 135.00 134.69 2q3r n PRO 250 Ca 0.22 0.46 -0.17 0.00 -0.04 0.00 0.00 63.50 63.97 2q3r n PRO 250 Cb 0.53 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 2q3r n PRO 250 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2q3r h GLY 251 N 0.97 0.30 1.73 0.55 0.00 -1.93 -3.25 103.07 101.44 2q3r h GLY 251 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 47.33 46.37 2q3r h GLY 251 CO 0.00 0.67 -0.82 0.00 0.00 0.00 0.00 176.54 176.39 2q3r h ALA 252 N 0.50 0.57 0.86 3.60 0.00 -1.88 -3.02 119.26 119.88 2q3r h ALA 252 Ca -0.22 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 2q3r h ALA 252 Cb 2.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.74 2q3r h ALA 252 CO 0.17 0.85 -0.41 1.25 0.00 0.00 0.00 179.25 181.11 2q3r h LEU 253 N 0.15 -0.98 -0.00 0.00 5.85 -1.67 -2.25 115.31 116.42 2q3r h LEU 253 Ca -0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2q3r h LEU 253 Cb 1.42 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 2q3r h LEU 253 CO 0.13 -0.64 -0.02 1.23 -0.34 0.00 0.00 178.44 178.79 2q3r h GLY 254 N -1.26 -1.49 -0.42 3.75 0.00 -1.62 -0.93 103.07 101.10 2q3r h GLY 254 Ca -0.12 0.65 0.15 0.00 0.00 0.00 0.00 47.33 48.02 2q3r h GLY 254 CO 0.19 -0.56 -0.11 -2.00 0.00 0.00 0.00 176.54 174.06 2q3r h LEU 255 N -0.03 -0.56 -1.14 3.11 5.85 -1.64 0.26 115.31 121.16 2q3r h LEU 255 Ca 0.00 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.00 2q3r h LEU 255 Cb 0.03 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2q3r h LEU 255 CO -0.02 -0.22 0.59 0.22 -0.34 0.00 0.00 178.44 178.67 2q3r h TYR 256 N 0.03 1.05 -0.15 1.25 3.20 -1.09 -1.03 116.97 120.23 2q3r h TYR 256 Ca 0.37 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.23 2q3r h TYR 256 Cb 0.60 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 2q3r h TYR 256 CO -0.52 0.54 -0.05 0.52 -1.64 0.00 0.00 178.16 177.01 2q3r h MET 257 N 1.02 0.29 -0.31 1.82 2.86 0.87 0.13 114.93 121.61 2q3r h MET 257 Ca 0.39 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 2q3r h MET 257 Cb 0.21 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2q3r h MET 257 CO -0.15 0.59 0.12 0.00 1.06 0.00 0.00 176.91 178.53 2q3r h ALA 258 N 0.69 0.36 0.20 6.32 0.00 -0.83 0.38 119.26 126.38 2q3r h ALA 258 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2q3r h ALA 258 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2q3r h ALA 258 CO 0.02 -0.28 -0.09 0.93 0.00 0.00 0.00 179.25 179.83 2q3r h GLU 259 N 0.26 -0.25 -0.49 0.00 4.39 -1.17 -3.07 114.58 114.25 2q3r h GLU 259 Ca 0.14 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.91 2q3r h GLU 259 Cb 0.10 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 2q3r h GLU 259 CO -0.13 -0.12 0.22 0.77 -1.16 0.00 0.00 179.01 178.59 2q3r h SER 260 N -0.32 0.29 -0.45 1.42 0.02 -0.43 -2.19 113.55 111.88 2q3r h SER 260 Ca -0.03 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 2q3r h SER 260 Cb 0.25 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2q3r h SER 260 CO 0.04 0.20 0.32 -0.07 -1.14 0.00 0.00 176.83 176.18 2q3r h LEU 261 N 0.43 0.10 -0.40 5.07 3.38 -0.89 -2.94 115.31 120.06 2q3r h LEU 261 Ca 0.22 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2q3r h LEU 261 Cb 0.18 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 2q3r h LEU 261 CO -0.19 0.06 -0.47 0.78 0.09 0.00 0.00 178.44 178.71 2q3r h ASN 262 N 0.11 -1.55 0.00 -0.43 2.35 -1.30 -3.10 115.58 111.65 2q3r h ASN 262 Ca 0.21 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2q3r h ASN 262 Cb 0.70 0.66 0.00 0.00 0.05 0.00 0.00 38.32 39.74 2q3r h ASN 262 CO -0.02 -0.38 0.00 1.17 -1.65 0.00 0.00 177.43 176.54 2q3r n LYS 263 N -5.41 0.00 0.03 0.81 4.81 -1.11 -2.05 118.16 115.25 2q3r n LYS 263 Ca -0.01 0.40 -0.08 0.00 -0.87 0.00 0.00 58.31 57.75 2q3r n LYS 263 Cb 0.35 -0.61 -0.05 0.00 0.02 0.00 0.00 35.03 34.74 2q3r n LYS 263 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2q3r h TYR 264 N 0.00 -0.75 0.00 5.64 -1.99 -1.76 -3.48 116.97 114.62 2q3r h TYR 264 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2q3r h TYR 264 Cb 0.00 0.33 0.00 0.00 2.00 0.00 0.00 36.73 39.06 2q3r h TYR 264 CO -0.34 -0.27 0.00 0.41 -0.00 0.00 0.00 178.16 177.95 2q3r n GLY 265 N -1.22 0.73 3.97 3.88 0.00 -0.87 -5.05 105.19 106.62 2q3r n GLY 265 Ca -0.04 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.41 2.48 0.01 -0.61 -4.36 -1.25 -4.22 121.20 112.83 2q3r s ILE 266 Ca 0.00 -0.56 -0.25 0.00 -0.26 0.00 0.00 60.65 59.58 2q3r s ILE 266 Cb 0.00 -2.92 -0.18 0.00 1.25 0.00 0.00 42.46 40.62 2q3r s ILE 266 CO 0.00 0.00 1.33 0.25 0.24 0.00 0.00 174.94 176.76 2q3r h LEU 267 N -0.19 -0.17 -7.93 0.37 5.85 0.56 -3.42 115.31 110.38 2q3r h LEU 267 Ca -0.41 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 57.97 2q3r h LEU 267 Cb 1.29 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 42.25 2q3r h LEU 267 CO 0.52 0.18 -0.21 -0.72 -0.34 0.00 0.00 178.44 177.87 2q3r s TYR 268 N -4.75 0.21 -0.21 1.25 -0.85 -1.23 -1.06 117.35 110.71 2q3r s TYR 268 Ca -0.15 -0.57 0.02 0.00 -0.52 0.00 0.00 57.07 55.85 2q3r s TYR 268 Cb 0.03 0.09 0.03 0.00 0.38 0.00 0.00 41.96 42.49 2q3r s TYR 268 CO 0.61 -0.77 -0.17 0.00 -1.52 0.00 0.00 175.55 173.70 2q3r s HIS 270 N 1.23 3.11 0.00 0.00 2.46 -0.22 -1.66 115.29 120.22 2q3r s HIS 270 Ca 0.00 -0.26 0.03 0.00 0.47 0.00 0.00 55.06 55.30 2q3r s HIS 270 Cb -0.15 -2.13 -0.01 0.00 -0.13 0.00 0.00 32.58 30.16 2q3r s HIS 270 CO -0.10 -0.14 -0.10 0.08 -2.47 0.00 0.00 174.74 172.01 2q3r s VAL 271 N 0.97 0.76 -0.00 0.89 1.01 -0.65 -0.11 120.40 123.27 2q3r s VAL 271 Ca 0.03 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 2q3r s VAL 271 Cb -0.14 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2q3r s VAL 271 CO 0.02 0.15 0.49 -0.63 0.00 0.00 0.00 175.10 175.14 2q3r s ILE 272 N -0.35 4.96 0.62 2.22 1.01 -1.11 -2.31 121.20 126.24 2q3r s ILE 272 Ca 0.03 1.03 -0.17 0.00 0.00 0.00 0.00 60.65 61.53 2q3r s ILE 272 Cb -0.04 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2q3r s ILE 272 CO -0.00 0.50 1.17 -0.70 0.00 0.00 0.00 174.94 175.91 2q3r s GLU 273 N -0.65 2.85 0.00 2.79 2.56 -0.39 -4.83 118.70 121.03 2q3r s GLU 273 Ca 0.27 1.66 0.00 0.00 0.00 0.00 0.00 54.97 56.90 2q3r s GLU 273 Cb -0.17 -1.93 0.00 0.00 2.00 0.00 0.00 34.13 34.02 2q3r s GLU 273 CO 0.15 -1.26 0.00 0.00 -0.56 0.00 0.00 175.26 173.59 2q3r n ALA 274 N -1.94 0.00 1.76 6.30 0.00 -1.26 -4.91 120.51 120.45 2q3r n ALA 274 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.66 2q3r n ALA 274 Cb 0.51 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.46 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 1.23 0.00 0.00 1.74 -1.26 -5.07 116.66 113.30 2q3r n ARG 275 Ca 0.00 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 2q3r n ARG 275 Cb 0.00 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 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 -0.45 0.00 -0.18 5.56 0.00 -1.26 -5.26 117.12 115.54 2q3r n MET 276 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.85 2q3r n MET 276 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.37 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 0.00 0.00 3.17 -0.00 -1.26 -5.12 115.22 112.01 2q3r n HIS 287 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2q3r n HIS 287 Cb 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 29.99 29.22 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 -0.29 0.00 0.09 1.59 5.66 -1.26 -4.80 114.28 115.27 2q3r n THR 288 Ca 0.00 0.20 -0.14 0.00 -3.05 0.00 0.00 64.05 61.05 2q3r n THR 288 Cb 0.08 -1.14 -0.14 0.00 -1.55 0.00 0.00 70.33 67.59 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 0.33 -0.68 1.09 4.07 -1.99 -3.37 115.31 114.77 2q3r h LEU 289 Ca 0.00 -0.38 0.12 0.00 0.08 0.00 0.00 57.88 57.70 2q3r h LEU 289 Cb 0.00 -0.11 -0.08 0.00 1.08 0.00 0.00 40.66 41.55 2q3r h LEU 289 CO 0.00 1.30 0.25 0.24 -1.08 0.00 0.00 178.44 179.15 2q3r h MET 290 N 0.06 0.40 -0.33 1.13 2.86 -1.89 0.36 114.93 117.51 2q3r h MET 290 Ca -0.13 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2q3r h MET 290 Cb 1.95 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.50 2q3r h MET 290 CO 0.18 0.26 0.21 -1.35 1.06 0.00 0.00 176.91 177.27 2q3r h PRO 291 N 0.41 0.41 -0.43 -0.22 0.11 -1.87 -0.99 132.00 129.42 2q3r h PRO 291 Ca 0.36 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.42 2q3r h PRO 291 Cb 0.50 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2q3r h PRO 291 CO -0.36 0.27 0.19 0.52 -0.21 0.00 0.00 178.00 178.41 2q3r h MET 292 N 0.43 0.61 0.04 1.05 2.86 -1.49 -2.70 114.93 115.73 2q3r h MET 292 Ca 0.12 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2q3r h MET 292 Cb -0.03 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2q3r h MET 292 CO -0.04 0.50 -0.03 -0.09 1.06 0.00 0.00 176.91 178.31 2q3r h ARG 293 N 0.61 -0.06 0.00 1.72 9.65 0.91 -1.97 114.38 125.24 2q3r h ARG 293 Ca 0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 2q3r h ARG 293 Cb 0.10 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2q3r h ARG 293 CO -0.02 -0.04 0.00 1.63 2.80 0.00 0.00 179.97 184.34 2q3r n LYS 294 N -2.28 0.15 -0.09 0.20 5.02 -0.54 -2.50 118.16 118.12 2q3r n LYS 294 Ca -0.01 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 2q3r n LYS 294 Cb 0.03 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.38 2q3r n LYS 294 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q3r n ALA 295 N -1.17 1.48 -2.68 7.82 0.00 -1.02 -4.92 120.51 120.02 2q3r n ALA 295 Ca 0.04 -1.20 -0.40 0.00 0.00 0.00 0.00 53.44 51.88 2q3r n ALA 295 Cb 0.04 -0.31 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 2q3r n ALA 295 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2q3r s PHE 296 N -2.51 3.46 0.10 0.00 5.36 -0.76 -4.51 117.98 119.12 2q3r s PHE 296 Ca -0.11 1.10 -0.18 0.00 -0.96 0.00 0.00 56.93 56.78 2q3r s PHE 296 Cb 0.07 -2.83 -0.06 0.00 -0.34 0.00 0.00 43.02 39.85 2q3r s PHE 296 CO 0.81 -0.09 1.56 0.87 -1.46 0.00 0.00 175.22 176.91 2q3r h LYS 297 N 7.18 0.49 0.00 10.12 1.79 -1.86 -3.46 116.57 130.83 2q3r h LYS 297 Ca -0.34 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2q3r h LYS 297 Cb 1.16 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2q3r h LYS 297 CO 0.78 0.61 0.00 0.41 -1.08 0.00 0.00 179.45 180.17 2q3r n GLY 298 N -0.42 -2.37 3.78 3.86 0.00 -1.26 -5.00 105.19 103.78 2q3r n GLY 298 Ca -0.03 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 4.31 0.03 2.61 2.01 -0.22 -4.93 115.64 119.45 2q3r s THR 299 Ca 0.00 1.74 0.03 0.00 0.31 0.00 0.00 61.69 63.77 2q3r s THR 299 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2q3r s THR 299 CO 0.00 0.40 0.01 0.12 -0.69 0.00 0.00 174.62 174.46 2q3r s PHE 300 N -1.29 3.05 -0.03 4.92 5.36 -1.26 -1.07 117.98 127.65 2q3r s PHE 300 Ca 0.40 0.04 0.02 0.00 -0.96 0.00 0.00 56.93 56.44 2q3r s PHE 300 Cb -0.22 -1.62 0.01 0.00 -0.34 0.00 0.00 43.02 40.85 2q3r s PHE 300 CO 0.26 0.47 -0.07 0.42 -1.46 0.00 0.00 175.22 174.84 2q3r s ILE 301 N -1.18 0.65 0.08 3.12 1.01 -0.67 -3.00 121.20 121.21 2q3r s ILE 301 Ca 0.22 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.70 2q3r s ILE 301 Cb -0.12 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 2q3r s ILE 301 CO 0.14 0.22 -0.17 -0.44 0.00 0.00 0.00 174.94 174.69 2q3r s SER 302 N 0.44 3.95 0.14 3.58 0.01 -0.96 -1.64 113.70 119.23 2q3r s SER 302 Ca -0.06 -0.47 -0.12 0.00 1.31 0.00 0.00 55.95 56.61 2q3r s SER 302 Cb -0.10 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.51 2q3r s SER 302 CO 0.00 0.21 0.32 0.00 0.41 0.00 0.00 173.24 174.19 2q3r s ALA 303 N -1.07 -0.41 0.00 1.44 0.00 -0.98 -1.53 121.76 119.22 2q3r s ALA 303 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2q3r s ALA 303 Cb -0.11 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.74 2q3r s ALA 303 CO 0.09 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2q3r n GLY 304 N -0.20 -1.44 0.00 0.00 0.00 -1.26 -1.26 105.19 101.04 2q3r n GLY 304 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 1.18 3.00 3.60 -0.02 0.00 -1.26 -4.53 105.19 107.15 2q3r n GLY 305 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2q3r n GLY 305 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2q3r n PHE 306 N 0.00 0.47 -4.03 1.61 3.01 -1.26 -5.03 117.46 112.22 2q3r n PHE 306 Ca 0.00 0.38 -0.02 0.00 1.01 0.00 0.00 57.45 58.82 2q3r n PHE 306 Cb 0.00 -2.04 -0.01 0.00 -0.01 0.00 0.00 39.48 37.42 2q3r n PHE 306 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2q3r n THR 307 N -2.76 0.00 0.00 4.37 -2.24 -1.26 -4.92 114.28 107.47 2q3r n THR 307 Ca 0.12 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2q3r n THR 307 Cb 0.50 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2q3r n THR 307 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2q3r n ARG 308 N -0.08 0.00 -0.36 -0.78 0.63 -1.26 -0.25 116.66 114.56 2q3r n ARG 308 Ca 0.01 0.00 0.34 0.00 -0.92 0.00 0.00 57.85 57.28 2q3r n ARG 308 Cb 0.07 -0.51 0.61 0.00 0.45 0.00 0.00 32.46 33.08 2q3r n ARG 308 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2q3r h GLU 309 N 0.00 0.03 -0.34 -0.14 3.07 -1.99 0.75 114.58 115.96 2q3r h GLU 309 Ca 0.00 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2q3r h GLU 309 Cb 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 2q3r h GLU 309 CO 0.00 0.02 0.14 0.22 -1.40 0.00 0.00 179.01 177.99 2q3r h ASP 310 N 0.03 0.18 -0.05 1.42 1.82 -1.95 -2.43 116.42 115.44 2q3r h ASP 310 Ca 0.85 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 57.51 2q3r h ASP 310 Cb 2.36 -0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.37 2q3r h ASP 310 CO -0.67 0.14 0.01 1.23 -1.61 0.00 0.00 179.24 178.34 2q3r h GLY 311 N 0.30 0.10 -0.22 -0.78 0.00 0.37 -3.05 103.07 99.80 2q3r h GLY 311 Ca 0.15 -0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.53 2q3r h GLY 311 CO -0.13 0.06 -0.15 3.43 0.00 0.00 0.00 176.54 179.75 2q3r h ASN 312 N -0.17 -0.57 -0.53 0.19 2.35 -1.32 -1.31 115.58 114.22 2q3r h ASN 312 Ca 0.02 0.18 0.09 0.00 -0.55 0.00 0.00 56.30 56.04 2q3r h ASN 312 Cb 0.29 0.38 -0.11 0.00 0.05 0.00 0.00 38.32 38.94 2q3r h ASN 312 CO 0.00 -0.20 -0.36 -0.08 -1.65 0.00 0.00 177.43 175.14 2q3r h GLU 313 N -0.00 -0.20 -0.00 0.81 4.57 -1.33 0.11 114.58 118.53 2q3r h GLU 313 Ca 0.29 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 2q3r h GLU 313 Cb 0.45 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2q3r h GLU 313 CO -0.63 -0.13 -0.19 0.00 -1.18 0.00 0.00 179.01 176.88 2q3r h ALA 314 N 0.83 1.68 0.53 2.92 0.00 -1.23 -3.02 119.26 120.98 2q3r h ALA 314 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2q3r h ALA 314 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2q3r h ALA 314 CO -0.64 0.24 -0.27 0.28 0.00 0.00 0.00 179.25 178.87 2q3r h VAL 315 N 0.01 0.46 0.67 0.00 2.07 0.20 -3.11 116.25 116.54 2q3r h VAL 315 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2q3r h VAL 315 Cb 0.34 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2q3r h VAL 315 CO 0.02 0.00 -0.32 0.77 0.02 0.00 0.00 177.57 178.06 2q3r h SER 316 N -0.73 -0.76 0.00 0.57 4.64 -1.33 -2.75 113.55 113.20 2q3r h SER 316 Ca -0.07 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2q3r h SER 316 Cb 0.56 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2q3r h SER 316 CO 0.11 -0.54 0.51 0.11 -0.87 0.00 0.00 176.83 176.16 2q3r h LYS 317 N -0.90 0.00 -0.32 4.77 1.79 -1.61 -3.44 116.57 116.85 2q3r h LYS 317 Ca -0.09 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.25 2q3r h LYS 317 Cb 0.69 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.29 2q3r h LYS 317 CO 0.15 0.00 -0.12 0.41 -1.08 0.00 0.00 179.45 178.81 2q3r n GLY 318 N -1.30 0.84 0.00 3.86 0.00 -1.04 -4.90 105.19 102.66 2q3r n GLY 318 Ca -0.01 -0.77 0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.78 0.97 -3.57 1.61 5.12 -1.22 -4.83 116.66 111.97 2q3r n ARG 319 Ca -0.06 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.79 2q3r n ARG 319 Cb 0.22 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 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 -2.00 0.00 -0.20 0.55 -1.32 -1.26 -4.87 115.64 106.54 2q3r s THR 320 Ca 0.45 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.76 2q3r s THR 320 Cb 0.21 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 70.06 2q3r s THR 320 CO 0.35 0.00 0.03 0.47 -2.21 0.00 0.00 174.62 173.26 2q3r n ASP 321 N 0.02 1.86 -4.56 8.08 8.00 -1.16 -4.71 116.55 124.07 2q3r n ASP 321 Ca -0.04 0.46 -0.27 0.00 0.71 0.00 0.00 54.79 55.66 2q3r n ASP 321 Cb 0.59 -0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 40.67 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 -7.91 2.58 -0.04 0.64 1.43 -1.20 -4.96 118.68 109.21 2q3r s LEU 322 Ca -0.27 -1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 51.41 2q3r s LEU 322 Cb 0.06 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.61 2q3r s LEU 322 CO 0.48 -0.56 0.03 -0.69 0.23 0.00 0.00 176.35 175.85 2q3r s VAL 323 N -2.92 0.08 -0.10 -1.59 1.01 -1.19 -2.26 120.40 113.44 2q3r s VAL 323 Ca 0.32 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 2q3r s VAL 323 Cb 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2q3r s VAL 323 CO 0.16 0.18 0.50 0.00 0.00 0.00 0.00 175.10 175.94 2q3r s ALA 324 N 1.77 3.47 -0.12 5.51 0.00 -0.58 -1.24 121.76 130.57 2q3r s ALA 324 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2q3r s ALA 324 Cb -0.12 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 2q3r s ALA 324 CO -0.03 0.03 -0.15 0.71 0.00 0.00 0.00 175.76 176.31 2q3r s TYR 325 N 0.49 2.76 0.00 0.00 2.02 0.23 -4.13 117.35 118.72 2q3r s TYR 325 Ca 0.27 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 2q3r s TYR 325 Cb -0.16 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 2q3r s TYR 325 CO 0.12 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 2q3r n GLY 326 N 3.51 -0.20 0.30 0.71 0.00 -1.26 -1.26 105.19 106.98 2q3r n GLY 326 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.87 -0.01 1.61 3.08 -1.96 0.48 114.38 118.45 2q3r h ARG 327 Ca 0.00 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 2q3r h ARG 327 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2q3r h ARG 327 CO 0.00 0.58 -0.60 -1.49 -1.07 0.00 0.00 179.97 177.39 2q3r h TRP 328 N 0.90 0.04 0.00 3.04 -0.00 -1.95 -2.59 115.95 115.39 2q3r h TRP 328 Ca 0.35 -0.01 -0.16 0.00 -0.00 0.00 0.00 58.89 59.06 2q3r h TRP 328 Cb 0.16 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.29 2q3r h TRP 328 CO -0.04 0.62 -0.82 0.35 -0.00 0.00 0.00 178.44 178.54 2q3r h PHE 329 N 0.02 0.00 -0.20 0.49 3.04 -1.57 -2.49 116.94 116.23 2q3r h PHE 329 Ca -0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2q3r h PHE 329 Cb 1.06 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 2q3r h PHE 329 CO 0.00 0.74 0.10 1.25 -2.02 0.00 0.00 178.31 178.39 2q3r h LEU 330 N 0.00 0.26 -2.17 0.59 6.46 0.13 -2.96 115.31 117.62 2q3r h LEU 330 Ca -0.03 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2q3r h LEU 330 Cb 1.59 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.45 2q3r h LEU 330 CO 0.09 0.30 0.00 0.00 -0.62 0.00 0.00 178.44 178.21 2q3r n ALA 331 N -2.21 2.89 -3.25 1.25 0.00 -0.99 -4.66 120.51 113.53 2q3r n ALA 331 Ca -0.04 -1.02 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 2q3r n ALA 331 Cb 0.09 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.75 -0.01 0.46 0.00 0.01 -0.94 -4.26 114.94 109.44 2q3r s ASN 332 Ca 0.33 -1.42 0.24 0.00 -0.71 0.00 0.00 52.86 51.30 2q3r s ASN 332 Cb 0.21 1.12 1.24 0.00 0.41 0.00 0.00 41.25 44.24 2q3r s ASN 332 CO 0.16 -0.20 1.83 1.55 -1.51 0.00 0.00 177.10 178.93 2q3r h PRO 333 N 6.74 0.25 -1.83 -0.60 0.13 -1.83 -1.73 132.00 133.13 2q3r h PRO 333 Ca 0.07 -0.01 -0.73 0.00 -0.87 0.00 0.00 66.00 64.45 2q3r h PRO 333 Cb 1.10 -0.06 -0.30 0.00 0.13 0.00 0.00 31.00 31.87 2q3r h PRO 333 CO 0.15 0.16 0.72 -0.40 -0.23 0.00 0.00 178.00 178.41 2q3r n ASP 334 N -4.45 7.03 -0.03 1.44 3.85 -1.26 -4.13 116.55 118.99 2q3r n ASP 334 Ca 0.22 -3.81 -0.11 0.00 -0.71 0.00 0.00 54.79 50.37 2q3r n ASP 334 Cb 0.88 -0.95 -0.05 0.00 -1.35 0.00 0.00 41.12 39.66 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 2.84 0.20 -0.55 -2.12 5.85 -1.65 -2.40 115.31 117.48 2q3r h LEU 335 Ca 0.52 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.26 2q3r h LEU 335 Cb 0.25 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.13 2q3r h LEU 335 CO 1.34 0.24 -0.18 -0.65 -0.34 0.00 0.00 178.44 178.85 2q3r h PRO 336 N 0.15 -0.05 -0.60 5.25 0.11 -1.88 0.27 132.00 135.25 2q3r h PRO 336 Ca 0.06 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 2q3r h PRO 336 Cb 0.09 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2q3r h PRO 336 CO -0.01 -0.03 0.03 -0.22 -0.21 0.00 0.00 178.00 177.56 2q3r h LYS 337 N -0.05 1.03 0.00 1.05 1.63 -1.96 -1.86 116.57 116.41 2q3r h LYS 337 Ca 0.26 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2q3r h LYS 337 Cb 0.45 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2q3r h LYS 337 CO -0.59 1.00 -0.06 0.00 -3.45 0.00 0.00 179.45 176.35 2q3r h ARG 338 N 0.93 0.00 0.00 1.90 3.08 -0.70 -0.43 114.38 119.16 2q3r h ARG 338 Ca 0.17 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.07 2q3r h ARG 338 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2q3r h ARG 338 CO 0.02 0.06 -0.92 0.74 -1.07 0.00 0.00 179.97 178.81 2q3r h PHE 339 N 0.00 0.00 0.00 3.04 0.04 -0.23 1.19 116.94 120.99 2q3r h PHE 339 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2q3r h PHE 339 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 2q3r h PHE 339 CO 0.00 0.62 -0.09 0.37 -0.60 0.00 0.00 178.31 178.61 2q3r h GLN 340 N 0.00 0.00 0.00 1.51 4.15 -0.39 -3.34 115.11 117.04 2q3r h GLN 340 Ca -0.07 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 2q3r h GLN 340 Cb 1.53 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.21 2q3r h GLN 340 CO 0.07 0.00 -1.25 0.28 -1.93 0.00 0.00 178.83 176.00 2q3r n VAL 341 N -2.38 0.25 -1.90 2.39 0.31 -0.66 -4.94 118.33 111.40 2q3r n VAL 341 Ca 0.05 -0.13 -0.03 0.00 -0.01 0.00 0.00 64.34 64.21 2q3r n VAL 341 Cb 0.45 -0.82 0.02 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.30 -2.95 -4.88 4.52 -0.08 0.41 -5.07 116.55 106.20 2q3r n ASP 342 Ca -0.06 -0.15 -0.32 0.00 -1.51 0.00 0.00 54.79 52.74 2q3r n ASP 342 Cb 0.60 -1.52 -0.05 0.00 2.34 0.00 0.00 41.12 42.49 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 -3.08 3.66 -0.14 -1.67 0.00 -0.86 -5.00 121.76 114.67 2q3r s ALA 343 Ca 0.09 -0.37 -0.34 0.00 0.00 0.00 0.00 51.96 51.34 2q3r s ALA 343 Cb -0.01 -2.32 -0.11 0.00 0.00 0.00 0.00 23.12 20.67 2q3r s ALA 343 CO 0.16 0.56 1.93 -0.35 0.00 0.00 0.00 175.76 178.07 2q3r n PRO 344 N 0.16 2.00 -2.70 0.00 -0.04 -1.26 -4.92 135.00 128.23 2q3r n PRO 344 Ca -0.02 0.71 -0.35 0.00 -0.04 0.00 0.00 63.50 63.80 2q3r n PRO 344 Cb 0.52 -2.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 2q3r n PRO 344 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q3r s LEU 345 N 4.68 4.10 0.40 1.53 1.43 -1.26 -5.02 118.68 124.54 2q3r s LEU 345 Ca 0.95 1.85 -0.26 0.00 -1.03 0.00 0.00 54.13 55.64 2q3r s LEU 345 Cb -0.71 -4.29 -0.09 0.00 0.03 0.00 0.00 46.19 41.13 2q3r s LEU 345 CO 0.51 -0.35 1.30 0.20 0.23 0.00 0.00 176.35 178.23 2q3r s ASN 346 N -1.83 6.36 0.39 2.29 0.01 -1.26 -4.98 114.94 115.92 2q3r s ASN 346 Ca 0.58 2.64 -0.24 0.00 -0.71 0.00 0.00 52.86 55.13 2q3r s ASN 346 Cb -0.16 -2.64 -0.09 0.00 0.41 0.00 0.00 41.25 38.77 2q3r s ASN 346 CO 0.21 -0.82 1.04 -0.54 -1.51 0.00 0.00 177.10 175.48 2q3r s LYS 347 N -2.21 4.20 0.17 -0.60 1.02 -1.26 -4.80 119.74 116.27 2q3r s LYS 347 Ca 0.56 1.49 -0.22 0.00 0.02 0.00 0.00 55.97 57.83 2q3r s LYS 347 Cb -0.38 -2.56 -0.08 0.00 -0.52 0.00 0.00 37.83 34.30 2q3r s LYS 347 CO 0.49 -0.10 0.71 1.52 -0.92 0.00 0.00 175.35 177.05 2q3r s TYR 348 N -1.66 3.77 -0.73 3.18 -0.85 -1.26 -4.91 117.35 114.88 2q3r s TYR 348 Ca 0.57 1.45 -0.09 0.00 -0.52 0.00 0.00 57.07 58.48 2q3r s TYR 348 Cb -0.21 -2.65 0.19 0.00 0.38 0.00 0.00 41.96 39.67 2q3r s TYR 348 CO 0.27 0.45 0.61 0.34 -1.52 0.00 0.00 175.55 175.70 2q3r s ASP 349 N -1.38 6.06 0.20 -0.18 2.15 -1.26 -4.97 116.67 117.29 2q3r s ASP 349 Ca 0.38 -2.75 -0.15 0.00 0.43 0.00 0.00 52.55 50.46 2q3r s ASP 349 Cb -0.19 -2.05 0.20 0.00 -0.30 0.00 0.00 42.92 40.58 2q3r s ASP 349 CO 0.22 -0.48 1.63 0.03 -0.17 0.00 0.00 175.17 176.40 2q3r h ARG 350 N 7.46 -0.01 -0.16 4.34 3.08 -2.01 -0.93 114.38 126.15 2q3r h ARG 350 Ca 0.04 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.14 2q3r h ARG 350 Cb 1.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2q3r h ARG 350 CO 0.74 -0.01 0.74 -1.35 -1.07 0.00 0.00 179.97 179.02 2q3r h PRO 351 N -0.02 0.00 -0.11 0.04 0.11 -2.03 0.52 132.00 130.53 2q3r h PRO 351 Ca 0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 2q3r h PRO 351 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2q3r h PRO 351 CO -0.61 0.00 -0.08 0.25 -0.21 0.00 0.00 178.00 177.35 2q3r n THR 352 N -2.83 2.11 0.03 -1.15 -2.24 -0.36 -4.52 114.28 105.33 2q3r n THR 352 Ca 0.03 -2.36 -0.13 0.00 -2.27 0.00 0.00 64.05 59.32 2q3r n THR 352 Cb 0.81 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.72 -0.09 -0.10 4.78 -1.00 0.09 -3.36 116.94 117.98 2q3r h PHE 353 Ca 0.02 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2q3r h PHE 353 Cb 1.19 0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.78 2q3r h PHE 353 CO 0.35 0.29 0.00 0.66 -1.61 0.00 0.00 178.31 178.00 2q3r n TYR 354 N -4.95 0.11 -0.61 -0.55 4.01 -1.26 -4.64 117.16 109.26 2q3r n TYR 354 Ca -0.08 -0.08 -0.29 0.00 -0.16 0.00 0.00 57.90 57.28 2q3r n TYR 354 Cb 0.22 -0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.26 2.04 -0.72 -0.72 -4.23 -1.26 -4.66 115.64 104.83 2q3r s THR 355 Ca 0.21 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 60.89 2q3r s THR 355 Cb 0.14 -2.10 0.54 0.00 1.34 0.00 0.00 72.50 72.42 2q3r s THR 355 CO 0.20 -0.02 1.46 -1.54 -0.54 0.00 0.00 174.62 174.18 2q3r n SER 356 N -4.79 3.97 -4.77 3.99 3.41 -1.26 -4.72 113.62 109.46 2q3r n SER 356 Ca 0.04 -2.52 -0.39 0.00 -0.26 0.00 0.00 58.87 55.74 2q3r n SER 356 Cb 0.54 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.27 6.71 0.44 4.04 2.15 -1.26 -4.92 116.67 122.56 2q3r s ASP 357 Ca 0.40 2.44 0.17 0.00 0.43 0.00 0.00 52.55 55.99 2q3r s ASP 357 Cb 0.28 -2.63 1.03 0.00 -0.30 0.00 0.00 42.92 41.30 2q3r s ASP 357 CO 0.16 -0.55 1.96 -0.65 -0.17 0.00 0.00 175.17 175.92 2q3r h PRO 358 N 3.04 0.00 0.00 4.34 0.11 -1.95 -3.39 132.00 134.15 2q3r h PRO 358 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2q3r h PRO 358 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2q3r h PRO 358 CO 0.64 0.22 -1.11 0.28 -0.21 0.00 0.00 178.00 177.82 2q3r n VAL 359 N -4.07 0.23 -1.68 3.15 0.31 -1.26 -4.50 118.33 110.51 2q3r n VAL 359 Ca -0.02 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 2q3r n VAL 359 Cb 0.29 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 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 -3.17 0.45 -1.10 2.52 0.31 -1.26 -0.73 118.33 115.35 2q3r n VAL 360 Ca -0.06 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.16 2q3r n VAL 360 Cb 0.51 -2.08 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 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 4.25 0.50 0.68 2.92 0.00 -1.26 -4.65 105.19 107.64 2q3r n GLY 361 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.45 0.00 0.61 1.61 9.36 0.09 -4.75 117.16 121.62 2q3r n TYR 362 Ca -0.03 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.29 2q3r n TYR 362 Cb 0.33 0.03 0.12 0.00 -0.63 0.00 0.00 39.34 39.19 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 -1.93 0.19 0.15 2.97 -2.24 -0.47 -4.51 114.28 108.44 2q3r n THR 363 Ca 0.00 -0.59 0.05 0.00 -2.27 0.00 0.00 64.05 61.23 2q3r n THR 363 Cb 0.00 1.24 0.21 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.14 3.26 -4.68 3.42 3.85 -1.13 -4.84 116.55 117.57 2q3r n ASP 364 Ca 0.13 -2.38 -0.41 0.00 -0.71 0.00 0.00 54.79 51.42 2q3r n ASP 364 Cb 0.50 -0.52 -0.04 0.00 -1.35 0.00 0.00 41.12 39.72 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 -1.84 3.46 0.33 2.11 2.02 -1.26 -4.93 117.35 117.24 2q3r s TYR 365 Ca 0.30 1.32 -0.27 0.00 -0.37 0.00 0.00 57.07 58.05 2q3r s TYR 365 Cb 0.21 -3.02 -0.09 0.00 -0.40 0.00 0.00 41.96 38.66 2q3r s TYR 365 CO 0.12 -0.19 1.00 -1.25 -1.57 0.00 0.00 175.55 173.66 2q3r s PRO 366 N 1.93 4.50 0.88 -1.71 0.04 -1.26 -4.66 135.00 134.73 2q3r s PRO 366 Ca 0.40 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 2q3r s PRO 366 Cb -0.17 -2.85 0.15 0.00 0.04 0.00 0.00 34.50 31.67 2q3r s PRO 366 CO 0.14 0.17 1.24 -0.06 0.04 0.00 0.00 177.00 178.53 2q3r s PHE 367 N -1.49 2.07 0.52 0.56 0.40 -1.26 -4.67 117.98 114.11 2q3r s PHE 367 Ca 0.50 0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 57.03 2q3r s PHE 367 Cb -0.23 -3.80 -0.06 0.00 0.51 0.00 0.00 43.02 39.44 2q3r s PHE 367 CO 0.29 -2.25 1.19 -0.51 0.70 0.00 0.00 175.22 174.64 2q3r s LEU 368 N -5.70 3.86 0.00 -0.37 1.43 -1.26 -5.09 118.68 111.55 2q3r s LEU 368 Ca 0.69 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 56.14 2q3r s LEU 368 Cb -0.06 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.76 2q3r s LEU 368 CO 0.51 -1.20 0.25 -0.62 0.23 0.00 0.00 176.35 175.52