#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 4.49 0.20 2.46 1.01 -1.26 -4.97 120.40 122.33 2q3r s VAL 10 Ca 0.00 1.75 -0.21 0.00 0.00 0.00 0.00 61.98 63.52 2q3r s VAL 10 Cb 0.00 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 32.23 2q3r s VAL 10 CO 0.00 -0.33 1.56 -0.65 0.00 0.00 0.00 175.10 175.68 2q3r h PRO 11 N 8.04 -0.07 0.00 2.72 0.11 -1.97 0.16 132.00 140.98 2q3r h PRO 11 Ca -0.22 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 2q3r h PRO 11 Cb 1.07 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2q3r h PRO 11 CO 1.01 -0.05 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.66 2q3r h LEU 12 N -0.08 0.00 -3.73 2.35 3.38 -1.85 -2.26 115.31 113.13 2q3r h LEU 12 Ca 0.27 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.86 2q3r h LEU 12 Cb 0.56 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.08 2q3r h LEU 12 CO -0.87 0.01 0.34 0.18 0.09 0.00 0.00 178.44 178.20 2q3r n LEU 13 N -3.23 5.65 -4.62 1.67 7.99 0.55 -0.86 117.00 124.15 2q3r n LEU 13 Ca -0.02 -3.71 -0.34 0.00 -0.01 0.00 0.00 56.01 51.93 2q3r n LEU 13 Cb 0.13 -0.75 -0.10 0.00 -0.11 0.00 0.00 43.42 42.58 2q3r n LEU 13 CO 0.23 1.16 -0.33 0.42 -1.51 0.00 0.00 177.39 177.36 2q3r s THR 14 N -3.31 4.08 0.83 -5.08 -4.23 -0.85 -4.76 115.64 102.31 2q3r s THR 14 Ca 0.52 -0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 2q3r s THR 14 Cb 0.45 -2.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.57 2q3r s THR 14 CO 0.06 0.58 0.51 -2.65 -0.54 0.00 0.00 174.62 172.58 2q3r n PRO 15 N 2.47 0.05 -3.65 3.99 -0.02 -0.90 -3.94 135.00 133.00 2q3r n PRO 15 Ca -0.18 0.06 -0.15 0.00 -2.02 0.00 0.00 63.50 61.21 2q3r n PRO 15 Cb 0.53 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 32.06 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 -2.13 -0.46 -0.26 6.00 5.04 -0.20 -4.88 117.35 120.46 2q3r s TYR 16 Ca 0.62 0.89 -0.08 0.00 -2.44 0.00 0.00 57.07 56.06 2q3r s TYR 16 Cb -0.29 0.24 -0.02 0.00 0.35 0.00 0.00 41.96 42.24 2q3r s TYR 16 CO 0.62 -0.44 0.08 0.21 -1.34 0.00 0.00 175.55 174.67 2q3r s LYS 17 N -0.86 3.56 -0.57 4.97 2.47 -1.26 -1.30 119.74 126.74 2q3r s LYS 17 Ca -0.09 -0.54 -0.09 0.00 -1.56 0.00 0.00 55.97 53.69 2q3r s LYS 17 Cb -0.03 -3.36 0.15 0.00 -1.46 0.00 0.00 37.83 33.13 2q3r s LYS 17 CO 0.05 -0.24 0.45 1.41 0.16 0.00 0.00 175.35 177.18 2q3r s MET 18 N 1.60 2.71 5.53 4.03 -2.45 -0.46 -4.95 119.30 125.32 2q3r s MET 18 Ca 0.06 -2.06 0.00 0.00 -1.25 0.00 0.00 55.69 52.44 2q3r s MET 18 Cb -0.16 -3.99 0.00 0.00 1.25 0.00 0.00 34.83 31.94 2q3r s MET 18 CO 0.04 -1.21 0.00 0.41 1.05 0.00 0.00 175.02 175.31 2q3r n GLY 19 N 4.43 1.16 0.67 2.11 0.00 -1.26 -0.34 105.19 111.95 2q3r n GLY 19 Ca -0.01 0.45 0.09 0.00 0.00 0.00 0.00 46.02 46.56 2q3r n GLY 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2q3r n ARG 20 N 0.00 1.54 -3.56 1.61 3.00 -1.26 -4.97 116.66 113.02 2q3r n ARG 20 Ca 0.00 -1.45 -0.37 0.00 -0.00 0.00 0.00 57.85 56.02 2q3r n ARG 20 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 32.46 31.05 2q3r n ARG 20 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2q3r s PHE 21 N -1.60 3.60 -0.55 -0.14 0.40 0.54 -5.06 117.98 115.16 2q3r s PHE 21 Ca 0.20 0.77 -0.18 0.00 -0.60 0.00 0.00 56.93 57.12 2q3r s PHE 21 Cb 0.15 -2.27 0.10 0.00 0.51 0.00 0.00 43.02 41.51 2q3r s PHE 21 CO 0.26 0.48 0.58 -0.80 0.70 0.00 0.00 175.22 176.45 2q3r s ASN 22 N -0.38 6.19 -0.03 1.36 0.01 -1.26 -1.35 114.94 119.48 2q3r s ASN 22 Ca 0.20 -1.45 -0.14 0.00 -0.71 0.00 0.00 52.86 50.76 2q3r s ASN 22 Cb -0.14 -2.25 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 2q3r s ASN 22 CO 0.08 -0.94 0.37 -0.76 -1.51 0.00 0.00 177.10 174.35 2q3r s LEU 23 N 2.19 4.45 0.26 0.60 1.43 -0.42 -4.65 118.68 122.54 2q3r s LEU 23 Ca 0.08 0.88 0.16 0.00 -1.03 0.00 0.00 54.13 54.21 2q3r s LEU 23 Cb -0.25 -2.51 0.06 0.00 0.03 0.00 0.00 46.19 43.51 2q3r s LEU 23 CO 0.06 0.32 1.39 0.28 0.23 0.00 0.00 176.35 178.63 2q3r h SER 24 N 4.87 0.00 -5.13 2.29 0.02 -1.49 -0.50 113.55 113.61 2q3r h SER 24 Ca -0.51 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 2q3r h SER 24 Cb 1.22 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.70 2q3r h SER 24 CO 0.62 0.48 0.07 -1.38 -1.14 0.00 0.00 176.83 175.48 2q3r s HIS 25 N -2.97 0.16 -1.42 3.45 0.00 -1.26 -2.12 115.29 111.13 2q3r s HIS 25 Ca 0.03 -0.60 0.18 0.00 -3.00 0.00 0.00 55.06 51.68 2q3r s HIS 25 Cb 0.08 0.47 0.57 0.00 -4.00 0.00 0.00 32.58 29.70 2q3r s HIS 25 CO 0.75 -1.19 1.48 0.54 -1.00 0.00 0.00 174.74 175.32 2q3r n ARG 26 N -0.45 3.02 -2.75 -0.38 1.74 -0.03 -4.77 116.66 113.03 2q3r n ARG 26 Ca -0.03 -2.57 -0.43 0.00 -0.77 0.00 0.00 57.85 54.05 2q3r n ARG 26 Cb 0.60 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.28 4.38 -0.16 1.55 1.01 -1.24 -2.08 120.40 122.57 2q3r s VAL 27 Ca 0.43 0.85 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 2q3r s VAL 27 Cb 0.24 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2q3r s VAL 27 CO 0.26 -0.92 0.01 -0.69 0.00 0.00 0.00 175.10 173.76 2q3r s VAL 28 N 4.00 4.35 -0.20 2.92 1.01 -0.44 -4.49 120.40 127.55 2q3r s VAL 28 Ca 0.40 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 2q3r s VAL 28 Cb -0.09 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2q3r s VAL 28 CO 0.28 0.49 1.50 -0.22 0.00 0.00 0.00 175.10 177.15 2q3r s LEU 29 N 0.20 4.01 0.45 3.92 2.96 -1.17 -0.37 118.68 128.68 2q3r s LEU 29 Ca 0.01 1.65 -0.23 0.00 -0.22 0.00 0.00 54.13 55.34 2q3r s LEU 29 Cb -0.13 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 2q3r s LEU 29 CO 0.02 -1.08 1.13 0.00 -1.32 0.00 0.00 176.35 175.09 2q3r s ALA 30 N 4.56 2.99 0.15 5.97 0.00 -0.49 -2.41 121.76 132.54 2q3r s ALA 30 Ca 0.66 0.85 -0.33 0.00 0.00 0.00 0.00 51.96 53.14 2q3r s ALA 30 Cb -0.24 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 2q3r s ALA 30 CO 0.25 -0.52 1.67 -0.35 0.00 0.00 0.00 175.76 176.82 2q3r n PRO 31 N -0.41 2.41 -3.73 0.00 -0.04 -1.25 -4.81 135.00 127.17 2q3r n PRO 31 Ca 0.07 0.87 -0.29 0.00 -0.04 0.00 0.00 63.50 64.11 2q3r n PRO 31 Cb 0.49 -2.68 -0.15 0.00 -0.04 0.00 0.00 33.50 31.11 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 1.44 1.86 0.02 1.53 1.43 -1.26 -4.85 118.68 118.84 2q3r s LEU 32 Ca 0.79 -1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 2q3r s LEU 32 Cb -0.61 -0.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 2q3r s LEU 32 CO 0.37 -0.38 1.98 -0.89 0.23 0.00 0.00 176.35 177.66 2q3r s THR 33 N 1.70 3.03 -0.26 5.49 2.01 -1.26 -4.30 115.64 122.05 2q3r s THR 33 Ca 0.06 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.13 2q3r s THR 33 Cb -0.17 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 2q3r s THR 33 CO -0.20 -0.00 0.32 0.54 -0.69 0.00 0.00 174.62 174.58 2q3r n ARG 34 N 7.62 3.46 -3.68 4.92 5.12 -1.26 -4.81 116.66 128.03 2q3r n ARG 34 Ca 0.20 -0.28 -0.28 0.00 -1.93 0.00 0.00 57.85 55.57 2q3r n ARG 34 Cb 0.41 -0.81 0.04 0.00 -1.16 0.00 0.00 32.46 30.94 2q3r n ARG 34 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2q3r n GLN 35 N -0.58 -2.07 -0.47 5.56 6.02 -1.26 -4.52 117.38 120.06 2q3r n GLN 35 Ca 0.01 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 2q3r n GLN 35 Cb 0.06 -4.47 0.00 0.00 1.02 0.00 0.00 30.24 26.86 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 -4.14 0.04 -3.21 -1.09 1.74 -0.84 -4.40 116.66 104.76 2q3r n ARG 36 Ca -0.15 -1.03 -0.42 0.00 -0.77 0.00 0.00 57.85 55.48 2q3r n ARG 36 Cb 0.62 -0.53 -0.01 0.00 -1.02 0.00 0.00 32.46 31.52 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 -0.04 5.71 -4.64 0.55 7.64 -0.59 -4.65 113.62 117.59 2q3r n SER 37 Ca 0.00 -3.27 -0.61 0.00 1.01 0.00 0.00 58.87 56.01 2q3r n SER 37 Cb 0.69 -1.24 -0.08 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.83 1.44 -1.29 1.43 0.53 -1.24 -0.11 117.16 119.75 2q3r n TYR 38 Ca 0.25 0.93 -0.10 0.00 -1.02 0.00 0.00 57.90 57.96 2q3r n TYR 38 Cb 0.36 -2.25 -0.04 0.00 -1.03 0.00 0.00 39.34 36.38 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 3.05 1.12 2.65 2.72 0.00 -1.26 -1.94 105.19 111.53 2q3r n GLY 39 Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.05 -1.99 -4.69 1.61 5.03 0.85 -5.01 115.26 111.11 2q3r n ASN 40 Ca -0.10 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 54.98 2q3r n ASN 40 Cb 0.36 -0.84 -0.08 0.00 -1.02 0.00 0.00 39.78 38.21 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 -2.52 5.28 0.35 2.41 1.01 -0.82 -1.33 120.40 124.79 2q3r s VAL 41 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 2q3r s VAL 41 Cb 0.00 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.62 2q3r s VAL 41 CO 0.00 0.33 1.44 -2.65 0.00 0.00 0.00 175.10 174.22 2q3r n PRO 42 N 4.06 2.51 -4.30 2.72 -0.02 -1.26 -3.61 135.00 135.09 2q3r n PRO 42 Ca -0.11 0.88 -0.23 0.00 -2.02 0.00 0.00 63.50 62.02 2q3r n PRO 42 Cb 0.52 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 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 -1.78 2.27 0.37 -0.52 -1.52 -1.26 -4.89 119.66 112.32 2q3r s GLN 43 Ca 0.56 -1.41 0.07 0.00 -1.95 0.00 0.00 55.36 52.62 2q3r s GLN 43 Cb -0.51 -2.15 0.77 0.00 -0.22 0.00 0.00 33.01 30.90 2q3r s GLN 43 CO 0.61 0.37 1.97 -1.35 -0.25 0.00 0.00 175.29 176.64 2q3r h PRO 44 N 1.97 0.69 -0.04 2.91 0.11 -1.94 -1.64 132.00 134.07 2q3r h PRO 44 Ca -0.44 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2q3r h PRO 44 Cb 1.25 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2q3r h PRO 44 CO 0.60 0.46 0.03 1.12 -0.21 0.00 0.00 178.00 180.00 2q3r h HIS 45 N 0.71 0.00 -0.13 0.65 2.07 -1.95 0.01 115.15 116.51 2q3r h HIS 45 Ca 0.30 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.81 2q3r h HIS 45 Cb 0.27 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.24 2q3r h HIS 45 CO -0.00 0.00 0.05 0.00 -3.07 0.00 0.00 177.93 174.91 2q3r h ALA 46 N 1.97 1.85 -0.55 6.11 0.00 -1.65 -1.17 119.26 125.82 2q3r h ALA 46 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2q3r h ALA 46 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2q3r h ALA 46 CO -0.00 0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.40 2q3r h ALA 47 N 1.88 1.01 -0.16 0.00 0.00 -1.10 -0.78 119.26 120.11 2q3r h ALA 47 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2q3r h ALA 47 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2q3r h ALA 47 CO -0.00 0.61 -0.01 0.82 0.00 0.00 0.00 179.25 180.67 2q3r h ILE 48 N 0.85 1.26 0.26 0.00 1.08 -1.27 -1.99 117.51 117.72 2q3r h ILE 48 Ca 0.16 -0.89 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 2q3r h ILE 48 Cb 0.47 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 2q3r h ILE 48 CO 0.02 0.26 -0.33 0.22 -0.69 0.00 0.00 178.15 177.64 2q3r h TYR 49 N 0.01 -0.88 0.00 1.37 3.20 -0.99 -0.90 116.97 118.78 2q3r h TYR 49 Ca 0.04 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 2q3r h TYR 49 Cb 0.40 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2q3r h TYR 49 CO 0.04 -0.45 -0.47 1.88 -1.64 0.00 0.00 178.16 177.52 2q3r h TYR 50 N -0.64 0.00 -0.41 -3.82 0.05 -1.23 -3.11 116.97 107.81 2q3r h TYR 50 Ca -0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.67 2q3r h TYR 50 Cb 0.61 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 2q3r h TYR 50 CO -0.22 0.47 -0.16 1.03 -1.05 0.00 0.00 178.16 178.23 2q3r h SER 51 N 0.00 0.84 -0.50 3.88 0.87 -1.16 -2.76 113.55 114.72 2q3r h SER 51 Ca -0.00 -0.39 -0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2q3r h SER 51 Cb 0.94 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2q3r h SER 51 CO 0.06 1.04 0.30 1.56 -0.53 0.00 0.00 176.83 179.26 2q3r h GLN 52 N 0.64 0.70 -0.42 2.24 4.20 -1.10 -2.23 115.11 119.13 2q3r h GLN 52 Ca 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2q3r h GLN 52 Cb 0.70 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2q3r h GLN 52 CO 0.05 0.50 0.00 0.54 -0.67 0.00 0.00 178.83 179.25 2q3r n ARG 53 N -4.42 1.98 -3.60 1.46 1.74 -1.12 -4.53 116.66 108.17 2q3r n ARG 53 Ca 0.05 -1.49 -0.37 0.00 -0.77 0.00 0.00 57.85 55.27 2q3r n ARG 53 Cb 0.08 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 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 -1.46 5.31 0.07 0.55 2.01 -0.84 -4.99 115.64 116.29 2q3r s THR 54 Ca 0.28 0.50 0.06 0.00 0.31 0.00 0.00 61.69 62.84 2q3r s THR 54 Cb 0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2q3r s THR 54 CO 0.19 0.45 -0.16 0.42 -0.69 0.00 0.00 174.62 174.83 2q3r s THR 55 N 0.03 1.25 0.11 -0.82 -4.23 -1.26 -4.96 115.64 105.75 2q3r s THR 55 Ca 0.16 -1.28 -0.31 0.00 -1.18 0.00 0.00 61.69 59.09 2q3r s THR 55 Cb -0.13 -1.17 -0.09 0.00 1.34 0.00 0.00 72.50 72.45 2q3r s THR 55 CO 0.05 -0.12 1.72 -2.84 -0.54 0.00 0.00 174.62 172.88 2q3r s PRO 56 N -1.61 4.17 0.00 3.99 0.02 -0.94 -0.74 135.00 139.90 2q3r s PRO 56 Ca 0.01 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2q3r s PRO 56 Cb -0.09 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.90 2q3r s PRO 56 CO 0.02 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 2q3r n GLY 57 N 4.07 1.71 3.80 0.52 0.00 0.14 -4.53 105.19 110.88 2q3r n GLY 57 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 2.30 -0.17 -0.02 0.00 0.08 -1.46 107.32 106.06 2q3r s GLY 58 Ca 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 44.72 45.20 2q3r s GLY 58 CO 0.00 0.84 -0.05 -0.12 0.00 0.00 0.00 173.10 173.77 2q3r s PHE 59 N -2.23 2.98 -0.05 1.90 5.99 -1.26 -1.18 117.98 124.14 2q3r s PHE 59 Ca 0.66 -0.47 0.06 0.00 0.00 0.00 0.00 56.93 57.19 2q3r s PHE 59 Cb -0.17 -1.98 -0.02 0.00 0.00 0.00 0.00 43.02 40.85 2q3r s PHE 59 CO 0.31 -0.17 -0.23 -0.51 -0.00 0.00 0.00 175.22 174.62 2q3r s LEU 60 N 0.63 2.18 -0.14 6.12 1.02 0.40 -3.02 118.68 125.86 2q3r s LEU 60 Ca -0.03 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.68 2q3r s LEU 60 Cb -0.15 -1.39 -0.01 0.00 0.02 0.00 0.00 46.19 44.66 2q3r s LEU 60 CO 0.02 0.28 -0.15 -0.63 0.02 0.00 0.00 176.35 175.90 2q3r s ILE 61 N -0.39 2.75 0.80 -0.59 1.01 -1.01 -1.37 121.20 122.40 2q3r s ILE 61 Ca 0.03 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 2q3r s ILE 61 Cb -0.12 -2.15 0.07 0.00 0.01 0.00 0.00 42.46 40.27 2q3r s ILE 61 CO 0.02 0.52 1.09 0.42 0.00 0.00 0.00 174.94 176.98 2q3r s THR 62 N 0.66 3.18 0.92 2.92 -4.23 -0.64 -3.81 115.64 114.64 2q3r s THR 62 Ca -0.08 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 60.71 2q3r s THR 62 Cb -0.16 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 70.87 2q3r s THR 62 CO 0.02 -0.50 1.15 -1.83 -0.54 0.00 0.00 174.62 172.92 2q3r s GLU 63 N -4.99 0.96 0.36 3.99 -1.05 -1.26 -4.15 118.70 112.57 2q3r s GLU 63 Ca 0.61 1.56 -0.28 0.00 -0.15 0.00 0.00 54.97 56.71 2q3r s GLU 63 Cb -0.16 -1.72 -0.12 0.00 -0.44 0.00 0.00 34.13 31.69 2q3r s GLU 63 CO 0.56 -2.67 1.42 0.00 0.95 0.00 0.00 175.26 175.51 2q3r n ALA 64 N -4.26 1.98 -3.91 -0.84 0.00 -1.26 -4.39 120.51 107.82 2q3r n ALA 64 Ca 0.12 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 2q3r n ALA 64 Cb 0.52 -2.36 -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 -1.08 1.11 0.64 0.00 2.01 -0.70 -4.33 115.64 113.29 2q3r s THR 65 Ca 0.54 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 2q3r s THR 65 Cb -0.51 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2q3r s THR 65 CO 0.63 0.38 1.30 0.61 -0.69 0.00 0.00 174.62 176.85 2q3r n GLY 66 N 4.88 0.57 0.00 4.40 0.00 0.36 -2.68 105.19 112.72 2q3r n GLY 66 Ca -0.13 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.86 0.00 -3.81 1.61 0.24 -1.16 -0.25 118.33 113.11 2q3r n VAL 67 Ca 0.16 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 2q3r n VAL 67 Cb 0.48 0.91 -0.09 0.00 -1.47 0.00 0.00 33.84 33.67 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 -1.81 -0.09 0.13 -1.34 1.04 -1.26 -4.53 113.70 105.84 2q3r s SER 68 Ca 0.02 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.44 2q3r s SER 68 Cb 0.05 0.27 0.30 0.00 0.10 0.00 0.00 66.02 66.74 2q3r s SER 68 CO 0.29 -0.43 1.02 -0.90 0.98 0.00 0.00 173.24 174.20 2q3r n ASP 69 N 1.28 0.14 -0.30 7.02 5.75 -1.26 0.39 116.55 129.58 2q3r n ASP 69 Ca -0.22 0.42 0.05 0.00 -0.01 0.00 0.00 54.79 55.03 2q3r n ASP 69 Cb 0.56 -0.40 0.10 0.00 -1.03 0.00 0.00 41.12 40.35 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 -1.62 1.36 1.69 2.12 -2.24 -1.26 -4.59 114.28 109.74 2q3r n THR 70 Ca -0.00 -1.38 0.15 0.00 -2.27 0.00 0.00 64.05 60.54 2q3r n THR 70 Cb 0.23 0.24 0.68 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.44 2.62 -2.88 6.98 0.00 0.16 -4.67 120.51 122.29 2q3r n ALA 71 Ca 0.09 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 2q3r n ALA 71 Cb 0.46 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.99 3.42 0.00 0.00 1.11 -1.26 -1.32 119.66 119.61 2q3r s GLN 72 Ca 0.41 -0.19 0.00 0.00 0.01 0.00 0.00 55.36 55.59 2q3r s GLN 72 Cb 0.21 -3.15 0.00 0.00 -1.01 0.00 0.00 33.01 29.06 2q3r s GLN 72 CO 0.34 0.75 0.17 0.41 0.01 0.00 0.00 175.29 176.97 2q3r n GLY 73 N 1.71 0.17 3.18 3.09 0.00 -1.26 -4.66 105.19 107.42 2q3r n GLY 73 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.03 0.99 0.01 1.61 2.02 -1.26 -4.61 117.35 116.09 2q3r s TYR 74 Ca 0.00 -0.78 -0.28 0.00 -0.37 0.00 0.00 57.07 55.64 2q3r s TYR 74 Cb 0.00 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 2q3r s TYR 74 CO 0.00 -0.06 0.90 1.14 -1.57 0.00 0.00 175.55 175.96 2q3r s GLN 75 N -3.33 4.56 -0.94 -0.62 -2.07 -1.26 -4.27 119.66 111.73 2q3r s GLN 75 Ca 0.09 1.29 -0.01 0.00 -1.82 0.00 0.00 55.36 54.91 2q3r s GLN 75 Cb 0.01 -3.43 -0.01 0.00 -1.09 0.00 0.00 33.01 28.49 2q3r s GLN 75 CO -0.02 0.05 0.79 -0.25 -1.32 0.00 0.00 175.29 174.55 2q3r n ASP 76 N 3.56 -2.83 -4.62 12.60 8.00 -1.26 -4.68 116.55 127.32 2q3r n ASP 76 Ca 0.03 -0.52 -0.34 0.00 0.71 0.00 0.00 54.79 54.67 2q3r n ASP 76 Cb 0.51 -4.25 -0.11 0.00 -0.02 0.00 0.00 41.12 37.25 2q3r n ASP 76 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2q3r s THR 77 N -3.30 3.96 0.64 -3.53 -4.23 -1.26 -1.55 115.64 106.38 2q3r s THR 77 Ca 0.08 -0.38 -0.17 0.00 -1.18 0.00 0.00 61.69 60.04 2q3r s THR 77 Cb -0.01 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 2q3r s THR 77 CO 0.59 0.60 1.17 -2.16 -0.54 0.00 0.00 174.62 174.28 2q3r s PRO 78 N -0.82 2.73 0.37 3.99 0.04 -1.26 -4.14 135.00 135.90 2q3r s PRO 78 Ca 0.12 1.67 0.08 0.00 0.04 0.00 0.00 61.00 62.91 2q3r s PRO 78 Cb -0.11 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2q3r s PRO 78 CO 0.02 -1.36 0.02 0.20 0.04 0.00 0.00 177.00 175.92 2q3r s GLY 79 N -2.00 2.24 -0.30 0.56 0.00 -0.44 0.13 107.32 107.51 2q3r s GLY 79 Ca 0.73 -2.09 0.18 0.00 0.00 0.00 0.00 44.72 43.54 2q3r s GLY 79 CO 0.38 -1.97 1.29 4.51 0.00 0.00 0.00 173.10 177.31 2q3r n ILE 80 N -0.98 0.71 0.26 0.90 3.06 0.66 -4.77 119.36 119.20 2q3r n ILE 80 Ca -0.04 -2.11 0.03 0.00 -2.50 0.00 0.00 62.75 58.13 2q3r n ILE 80 Cb 0.64 1.15 -0.01 0.00 0.54 0.00 0.00 39.64 41.96 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 -0.97 0.00 -4.43 9.51 2.14 -1.26 -4.43 117.44 118.00 2q3r n TRP 81 Ca -0.03 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.30 2q3r n TRP 81 Cb 0.83 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 31.24 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 -1.20 2.65 0.27 -1.67 -4.23 -1.26 -4.99 115.64 105.19 2q3r s THR 82 Ca 0.04 -2.24 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 2q3r s THR 82 Cb 0.04 -2.51 0.15 0.00 1.34 0.00 0.00 72.50 71.52 2q3r s THR 82 CO 0.18 -0.34 1.80 0.11 -0.54 0.00 0.00 174.62 175.83 2q3r h LYS 83 N 2.11 0.87 -0.44 3.99 1.57 -1.99 -1.37 116.57 121.32 2q3r h LYS 83 Ca -0.41 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.24 2q3r h LYS 83 Cb 1.26 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 2q3r h LYS 83 CO 0.62 0.79 0.11 1.49 -0.57 0.00 0.00 179.45 181.90 2q3r h GLU 84 N 0.84 0.25 -0.02 3.15 4.81 -1.99 0.25 114.58 121.87 2q3r h GLU 84 Ca 0.18 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2q3r h GLU 84 Cb 0.32 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2q3r h GLU 84 CO 0.00 0.17 0.01 0.45 -0.73 0.00 0.00 179.01 178.91 2q3r h HIS 85 N 0.26 0.02 -0.18 0.92 3.86 -1.75 -1.80 115.15 116.48 2q3r h HIS 85 Ca 0.21 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.47 2q3r h HIS 85 Cb 0.24 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.64 2q3r h HIS 85 CO -0.19 0.06 -0.28 0.28 0.86 0.00 0.00 177.93 178.66 2q3r h VAL 86 N -0.02 0.35 -0.49 2.45 2.07 -0.48 -0.58 116.25 119.54 2q3r h VAL 86 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2q3r h VAL 86 Cb 0.04 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 2q3r h VAL 86 CO -0.00 0.00 0.16 -0.33 0.02 0.00 0.00 177.57 177.42 2q3r h GLU 87 N -0.32 0.32 0.00 1.57 4.39 -0.31 0.10 114.58 120.33 2q3r h GLU 87 Ca 0.11 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2q3r h GLU 87 Cb 0.50 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2q3r h GLU 87 CO -0.36 0.21 0.00 0.00 -1.16 0.00 0.00 179.01 177.70 2q3r n ALA 88 N -2.43 2.30 0.06 3.43 0.00 -0.70 -3.07 120.51 120.10 2q3r n ALA 88 Ca 0.05 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 2q3r n ALA 88 Cb 0.21 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.12 2q3r n ALA 88 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2q3r h TRP 89 N 0.00 0.25 -0.50 0.00 -0.00 0.82 -3.37 115.95 113.14 2q3r h TRP 89 Ca 0.00 -0.18 -0.04 0.00 -0.00 0.00 0.00 58.89 58.67 2q3r h TRP 89 Cb 0.15 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.27 2q3r h TRP 89 CO 0.00 1.17 0.17 0.87 -0.00 0.00 0.00 178.44 180.65 2q3r h LYS 90 N 0.04 0.77 -0.21 0.49 1.57 -1.44 -2.51 116.57 115.28 2q3r h LYS 90 Ca -0.13 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 2q3r h LYS 90 Cb 1.91 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 2q3r h LYS 90 CO 0.15 0.71 -0.04 -1.00 -0.57 0.00 0.00 179.45 178.70 2q3r h PRO 91 N 0.68 0.32 -0.25 3.15 0.13 -1.75 0.20 132.00 134.47 2q3r h PRO 91 Ca 0.16 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.11 2q3r h PRO 91 Cb 0.25 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 2q3r h PRO 91 CO -0.01 0.39 -0.32 0.82 -0.23 0.00 0.00 178.00 178.65 2q3r h ILE 92 N 0.31 1.31 -0.45 -3.56 2.04 -1.72 -2.53 117.51 112.91 2q3r h ILE 92 Ca 0.07 -1.51 -0.08 0.00 1.00 0.00 0.00 64.86 64.34 2q3r h ILE 92 Cb 0.29 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2q3r h ILE 92 CO 0.01 0.48 -0.02 0.58 0.00 0.00 0.00 178.15 179.19 2q3r h VAL 93 N 0.38 1.26 -0.57 1.67 2.07 -1.16 -2.84 116.25 117.07 2q3r h VAL 93 Ca 0.03 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2q3r h VAL 93 Cb 0.90 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2q3r h VAL 93 CO 0.08 0.37 0.27 0.44 0.02 0.00 0.00 177.57 178.75 2q3r h ASP 94 N 0.65 0.72 -0.11 0.57 3.32 -0.60 -1.31 116.42 119.67 2q3r h ASP 94 Ca 0.12 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2q3r h ASP 94 Cb 0.53 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2q3r h ASP 94 CO 0.03 0.62 0.07 0.00 -1.72 0.00 0.00 179.24 178.24 2q3r h ALA 95 N 1.49 0.14 0.43 3.45 0.00 -1.31 0.53 119.26 123.98 2q3r h ALA 95 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2q3r h ALA 95 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2q3r h ALA 95 CO -0.03 -0.35 -0.21 0.28 0.00 0.00 0.00 179.25 178.94 2q3r h VAL 96 N 0.12 0.58 -0.53 0.00 2.07 -1.23 -2.07 116.25 115.18 2q3r h VAL 96 Ca 0.04 -0.09 0.15 0.00 0.82 0.00 0.00 66.70 67.62 2q3r h VAL 96 Cb 0.02 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2q3r h VAL 96 CO -0.01 0.02 0.40 0.45 0.02 0.00 0.00 177.57 178.45 2q3r h HIS 97 N -0.63 0.00 -0.86 1.57 -0.00 -1.16 -0.62 115.15 113.45 2q3r h HIS 97 Ca -0.06 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.40 2q3r h HIS 97 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.81 2q3r h HIS 97 CO -0.03 0.00 0.51 0.00 -0.00 0.00 0.00 177.93 178.41 2q3r h ALA 98 N 1.71 1.23 -0.49 2.45 0.00 -0.14 0.11 119.26 124.12 2q3r h ALA 98 Ca 0.25 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2q3r h ALA 98 Cb 1.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2q3r h ALA 98 CO -0.00 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.04 2q3r n LYS 99 N -4.70 3.93 -2.92 0.00 5.02 -0.27 -4.96 118.16 114.26 2q3r n LYS 99 Ca 0.14 -2.53 -0.12 0.00 -2.02 0.00 0.00 58.31 53.78 2q3r n LYS 99 Cb 0.27 -2.03 0.06 0.00 -0.02 0.00 0.00 35.03 33.30 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 0.66 -0.69 3.57 0.72 0.00 0.39 -2.21 105.19 107.62 2q3r n GLY 100 Ca 0.22 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.39 1.76 -0.20 -0.02 0.00 -1.13 0.24 107.32 104.58 2q3r s GLY 101 Ca 0.33 -1.31 -0.15 0.00 0.00 0.00 0.00 44.72 43.59 2q3r s GLY 101 CO 0.59 -1.30 0.37 -0.42 0.00 0.00 0.00 173.10 172.35 2q3r s ILE 102 N -1.31 5.22 -0.18 0.90 1.09 -0.32 -4.47 121.20 122.12 2q3r s ILE 102 Ca 0.22 0.65 0.00 0.00 -1.10 0.00 0.00 60.65 60.42 2q3r s ILE 102 Cb -0.10 -3.70 0.04 0.00 -1.06 0.00 0.00 42.46 37.63 2q3r s ILE 102 CO 0.14 0.27 -0.08 0.12 -0.10 0.00 0.00 174.94 175.28 2q3r s PHE 103 N 1.25 2.08 -0.08 3.97 5.36 -1.26 -0.45 117.98 128.85 2q3r s PHE 103 Ca 0.18 -1.34 -0.00 0.00 -0.96 0.00 0.00 56.93 54.80 2q3r s PHE 103 Cb -0.15 -1.49 -0.03 0.00 -0.34 0.00 0.00 43.02 41.02 2q3r s PHE 103 CO 0.07 -0.68 -0.04 -0.06 -1.46 0.00 0.00 175.22 173.05 2q3r s PHE 104 N 1.51 3.02 -0.35 10.12 0.40 -0.47 -1.09 117.98 131.11 2q3r s PHE 104 Ca -0.00 0.06 -0.18 0.00 -0.60 0.00 0.00 56.93 56.20 2q3r s PHE 104 Cb -0.16 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.62 2q3r s PHE 104 CO -0.08 0.35 0.53 0.00 0.70 0.00 0.00 175.22 176.72 2q3r s GLN 106 N 2.44 4.51 -0.08 0.00 0.74 -1.26 -2.06 119.66 123.96 2q3r s GLN 106 Ca 0.20 1.70 0.05 0.00 0.05 0.00 0.00 55.36 57.36 2q3r s GLN 106 Cb -0.15 -3.34 -0.01 0.00 1.10 0.00 0.00 33.01 30.62 2q3r s GLN 106 CO 0.13 -0.11 -0.24 0.96 -0.55 0.00 0.00 175.29 175.48 2q3r s ILE 107 N 0.57 2.04 0.18 -2.34 -4.36 0.35 -1.71 121.20 115.92 2q3r s ILE 107 Ca 0.54 -1.04 0.03 0.00 -0.26 0.00 0.00 60.65 59.93 2q3r s ILE 107 Cb -0.28 -1.74 -0.01 0.00 1.25 0.00 0.00 42.46 41.67 2q3r s ILE 107 CO 0.31 0.56 0.17 -2.67 0.24 0.00 0.00 174.94 173.56 2q3r n TRP 108 N 3.21 -0.54 -3.66 1.37 4.27 -1.09 0.13 117.44 121.12 2q3r n TRP 108 Ca -0.18 -1.42 -0.07 0.00 -3.89 0.00 0.00 57.50 51.94 2q3r n TRP 108 Cb 0.52 0.18 -0.08 0.00 -1.36 0.00 0.00 31.31 30.58 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 -2.98 -0.90 -0.33 -2.67 2.46 -1.26 -2.97 115.29 106.64 2q3r s HIS 109 Ca 0.20 1.71 0.27 0.00 0.47 0.00 0.00 55.06 57.71 2q3r s HIS 109 Cb 0.01 0.44 1.00 0.00 -0.13 0.00 0.00 32.58 33.90 2q3r s HIS 109 CO 0.14 -0.49 1.80 -0.39 -2.47 0.00 0.00 174.74 173.33 2q3r h VAL 110 N 5.83 0.00 0.00 0.89 -1.51 -1.45 -3.28 116.25 116.73 2q3r h VAL 110 Ca -0.23 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2q3r h VAL 110 Cb 1.14 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2q3r h VAL 110 CO 0.16 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.11 2q3r n GLY 111 N 0.36 3.52 0.28 5.19 0.00 -1.26 -1.83 105.19 111.45 2q3r n GLY 111 Ca 0.02 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.57 1.61 0.11 -1.84 -3.34 114.38 107.36 2q3r h ARG 112 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 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 2.94 0.28 0.10 0.00 0.00 179.97 183.36 2q3r n VAL 113 N -3.38 2.93 -2.94 0.08 0.31 -0.76 -4.63 118.33 109.94 2q3r n VAL 113 Ca -0.01 -1.94 0.00 0.00 -0.01 0.00 0.00 64.34 62.38 2q3r n VAL 113 Cb 0.22 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 30.81 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 4.81 0.00 -3.43 4.52 2.88 -1.25 -4.10 113.62 117.05 2q3r n SER 114 Ca 0.55 -0.78 -0.04 0.00 -1.33 0.00 0.00 58.87 57.26 2q3r n SER 114 Cb 0.23 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.35 -0.05 0.41 -3.46 6.03 -1.26 -3.38 114.94 112.87 2q3r s ASN 115 Ca 0.00 -0.66 0.12 0.00 -1.03 0.00 0.00 52.86 51.29 2q3r s ASN 115 Cb 0.00 0.55 0.95 0.00 -3.03 0.00 0.00 41.25 39.72 2q3r s ASN 115 CO 0.00 -1.08 1.95 0.77 -2.03 0.00 0.00 177.10 176.71 2q3r h SER 116 N 2.00 0.47 -0.00 3.54 4.64 -1.83 0.55 113.55 122.92 2q3r h SER 116 Ca -0.27 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2q3r h SER 116 Cb 1.23 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2q3r h SER 116 CO 0.33 0.27 0.00 1.23 -0.87 0.00 0.00 176.83 177.80 2q3r h GLY 117 N 0.52 0.00 -1.10 -0.77 0.00 -1.91 -1.93 103.07 97.87 2q3r h GLY 117 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2q3r h GLY 117 CO -0.11 0.00 -0.02 0.69 0.00 0.00 0.00 176.54 177.10 2q3r n PHE 118 N -3.74 0.00 -4.50 5.60 3.72 0.11 -4.99 117.46 113.66 2q3r n PHE 118 Ca -0.03 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.03 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 -1.22 2.98 0.56 -1.08 -1.52 -0.73 -4.76 119.66 113.90 2q3r s GLN 119 Ca 0.16 -0.49 -0.20 0.00 -1.95 0.00 0.00 55.36 52.88 2q3r s GLN 119 Cb 0.12 -2.71 -0.05 0.00 -0.22 0.00 0.00 33.01 30.14 2q3r s GLN 119 CO 0.19 0.61 1.09 -2.30 -0.25 0.00 0.00 175.29 174.62 2q3r n PRO 120 N 2.41 1.17 -1.05 2.91 -0.02 -1.26 -1.13 135.00 138.04 2q3r n PRO 120 Ca -0.18 0.44 -0.06 0.00 -2.02 0.00 0.00 63.50 61.68 2q3r n PRO 120 Cb 0.53 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 -0.69 -4.53 -1.56 2.55 3.02 -1.26 -1.48 115.26 111.31 2q3r n ASN 121 Ca 0.12 0.16 -0.20 0.00 -0.03 0.00 0.00 54.58 54.63 2q3r n ASN 121 Cb 0.45 -3.25 -0.09 0.00 -0.61 0.00 0.00 39.78 36.29 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 0.36 1.92 3.75 7.41 0.00 -0.28 -4.95 105.19 113.39 2q3r n GLY 122 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.71 2.00 0.57 1.61 1.02 -0.55 -4.67 119.74 116.02 2q3r s LYS 123 Ca 0.00 1.11 -0.20 0.00 0.02 0.00 0.00 55.97 56.90 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 0.00 175.35 173.87 2q3r s ALA 124 N -2.90 2.64 0.85 5.17 0.00 -1.26 -4.39 121.76 121.88 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 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.57 2q3r s ALA 124 CO 0.56 -1.21 1.12 -2.14 0.00 0.00 0.00 175.76 174.10 2q3r s PRO 125 N -3.15 1.54 0.16 0.00 0.02 -1.26 -4.73 135.00 127.56 2q3r s PRO 125 Ca 0.75 1.39 0.07 0.00 0.02 0.00 0.00 61.00 63.24 2q3r s PRO 125 Cb -0.33 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 2q3r s PRO 125 CO 0.38 -2.22 -0.04 0.96 -0.33 0.00 0.00 177.00 175.75 2q3r s ILE 126 N -2.75 3.58 0.20 2.83 -4.36 -1.26 -1.21 121.20 118.24 2q3r s ILE 126 Ca 0.64 -1.41 -0.07 0.00 -0.26 0.00 0.00 60.65 59.56 2q3r s ILE 126 Cb -0.20 -2.77 0.03 0.00 1.25 0.00 0.00 42.46 40.76 2q3r s ILE 126 CO 0.57 -0.06 0.40 -0.24 0.24 0.00 0.00 174.94 175.85 2q3r n SER 127 N 0.10 -1.15 0.18 4.36 2.88 -1.02 -2.67 113.62 116.31 2q3r n SER 127 Ca -0.11 -1.86 0.07 0.00 -1.33 0.00 0.00 58.87 55.64 2q3r n SER 127 Cb 0.54 1.93 0.12 0.00 -0.75 0.00 0.00 64.21 66.05 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 -3.19 -0.06 -1.23 0.00 3.41 -1.26 -4.47 113.62 106.83 2q3r n SER 129 Ca 0.03 -2.66 0.03 0.00 -0.26 0.00 0.00 58.87 56.01 2q3r n SER 129 Cb 0.63 1.13 0.27 0.00 -0.26 0.00 0.00 64.21 65.98 2q3r n SER 129 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2q3r n ASP 130 N -1.91 3.93 -4.63 4.04 5.75 -1.26 -3.75 116.55 118.72 2q3r n ASP 130 Ca 0.03 -3.20 -0.43 0.00 -0.01 0.00 0.00 54.79 51.18 2q3r n ASP 130 Cb 0.46 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.94 3.98 0.42 0.11 1.02 -1.26 -4.64 119.74 116.43 2q3r s LYS 131 Ca 0.46 1.21 -0.26 0.00 0.02 0.00 0.00 55.97 57.40 2q3r s LYS 131 Cb 0.38 -3.83 -0.09 0.00 -0.52 0.00 0.00 37.83 33.77 2q3r s LYS 131 CO 0.09 -1.04 1.37 -1.25 -0.92 0.00 0.00 175.35 173.60 2q3r s PRO 132 N 3.98 3.84 -0.18 -1.68 0.04 -1.26 -4.66 135.00 135.09 2q3r s PRO 132 Ca 0.53 2.30 -0.13 0.00 0.04 0.00 0.00 61.00 63.74 2q3r s PRO 132 Cb -0.15 -2.72 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 2q3r s PRO 132 CO 0.21 -0.65 0.28 -1.17 0.04 0.00 0.00 177.00 175.71 2q3r s LEU 133 N -2.55 4.22 -1.23 -3.56 2.96 -1.26 -4.55 118.68 112.71 2q3r s LEU 133 Ca 0.59 0.45 -0.33 0.00 -0.22 0.00 0.00 54.13 54.61 2q3r s LEU 133 Cb -0.41 -2.34 0.05 0.00 0.50 0.00 0.00 46.19 43.98 2q3r s LEU 133 CO 0.53 0.08 0.63 0.23 -1.32 0.00 0.00 176.35 176.50 2q3r n MET 134 N 3.75 -0.24 -0.20 1.98 2.81 -1.26 -4.58 117.12 119.38 2q3r n MET 134 Ca -0.12 0.05 0.27 0.00 -1.81 0.00 0.00 57.70 56.09 2q3r n MET 134 Cb 0.52 -2.48 0.69 0.00 -0.71 0.00 0.00 33.22 31.24 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 -2.58 0.07 0.00 0.03 0.13 -1.95 0.27 132.00 127.97 2q3r h PRO 135 Ca -0.71 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2q3r h PRO 135 Cb 1.39 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2q3r h PRO 135 CO 0.53 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 2q3r n GLN 136 N -4.31 0.04 -4.01 0.86 0.00 -1.26 -4.65 117.38 104.05 2q3r n GLN 136 Ca 0.19 0.31 -0.35 0.00 0.00 0.00 0.00 57.00 57.15 2q3r n GLN 136 Cb 0.94 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 29.55 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 -2.83 3.96 0.35 -0.39 1.01 0.08 -5.06 121.20 118.32 2q3r s ILE 137 Ca 0.05 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2q3r s ILE 137 Cb 0.05 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 2q3r s ILE 137 CO 0.13 0.42 -0.04 -0.13 0.00 0.00 0.00 174.94 175.31 2q3r s ARG 138 N 1.12 1.92 0.92 2.79 3.00 -1.26 0.68 118.95 128.12 2q3r s ARG 138 Ca 0.03 -1.89 -0.12 0.00 0.00 0.00 0.00 55.73 53.75 2q3r s ARG 138 Cb -0.14 -1.78 0.14 0.00 0.00 0.00 0.00 34.95 33.17 2q3r s ARG 138 CO 0.02 0.11 1.10 -1.12 0.00 0.00 0.00 175.30 175.41 2q3r s SER 139 N -3.66 3.33 -0.49 0.23 0.01 -0.53 -4.58 113.70 108.01 2q3r s SER 139 Ca 0.34 1.32 -0.34 0.00 1.31 0.00 0.00 55.95 58.58 2q3r s SER 139 Cb 0.02 -2.00 -0.13 0.00 0.21 0.00 0.00 66.02 64.12 2q3r s SER 139 CO 0.18 -2.71 2.30 -3.20 0.41 0.00 0.00 173.24 170.22 2q3r n ASN 140 N -3.91 1.72 0.00 2.44 2.85 -1.26 -3.60 115.26 113.50 2q3r n ASN 140 Ca 0.06 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 2q3r n ASN 140 Cb 0.56 -1.22 0.00 0.00 1.24 0.00 0.00 39.78 40.36 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 6.56 2.09 3.45 8.20 0.00 -1.26 -5.01 105.19 119.22 2q3r n GLY 141 Ca 0.46 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 1.75 0.43 -0.61 5.41 -1.24 -4.81 119.36 120.29 2q3r n ILE 142 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2q3r n ILE 142 Cb 0.00 -0.54 0.10 0.00 -0.71 0.00 0.00 39.64 38.50 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 1.25 2.56 -4.66 4.38 3.85 -1.26 -4.11 116.55 118.55 2q3r n ASP 143 Ca 0.11 -2.31 -0.41 0.00 -0.71 0.00 0.00 54.79 51.47 2q3r n ASP 143 Cb 0.40 -0.56 -0.05 0.00 -1.35 0.00 0.00 41.12 39.56 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 -1.40 4.24 0.30 0.11 2.12 -1.26 -4.97 118.70 117.84 2q3r s GLU 144 Ca 0.16 0.86 -0.27 0.00 0.36 0.00 0.00 54.97 56.08 2q3r s GLU 144 Cb 0.13 -3.59 -0.15 0.00 0.26 0.00 0.00 34.13 30.78 2q3r s GLU 144 CO 0.04 -0.34 0.74 0.00 -0.54 0.00 0.00 175.26 175.16 2q3r n ALA 145 N 5.34 -1.36 -0.04 6.30 0.00 -1.26 -1.46 120.51 128.03 2q3r n ALA 145 Ca 0.03 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 2q3r n ALA 145 Cb 0.49 -1.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 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 1.38 0.22 -8.31 0.00 5.85 -0.00 -3.38 115.31 111.07 2q3r h LEU 146 Ca -0.36 -0.24 -0.73 0.00 0.84 0.00 0.00 57.88 57.39 2q3r h LEU 146 Cb 1.39 -0.06 -0.23 0.00 0.37 0.00 0.00 40.66 42.13 2q3r h LEU 146 CO 0.57 0.40 -0.36 -0.36 -0.34 0.00 0.00 178.44 178.35 2q3r s PHE 147 N -5.26 3.25 -0.10 1.25 0.40 -1.26 -4.75 117.98 111.51 2q3r s PHE 147 Ca -0.14 -0.94 -0.36 0.00 -0.60 0.00 0.00 56.93 54.89 2q3r s PHE 147 Cb 0.06 -3.06 -0.13 0.00 0.51 0.00 0.00 43.02 40.40 2q3r s PHE 147 CO 0.70 -0.77 1.80 2.41 0.70 0.00 0.00 175.22 180.06 2q3r n THR 148 N 5.17 0.44 -1.56 0.64 -1.04 -1.22 -4.63 114.28 112.08 2q3r n THR 148 Ca -0.12 -0.08 -0.50 0.00 -2.04 0.00 0.00 64.05 61.31 2q3r n THR 148 Cb 0.44 -1.65 -0.04 0.00 -1.82 0.00 0.00 70.33 67.26 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 5.87 0.98 -2.52 -2.82 -0.02 -1.26 -4.41 135.00 130.83 2q3r n PRO 149 Ca 0.23 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 2q3r n PRO 149 Cb 0.25 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.37 4.01 -0.15 0.52 0.04 -1.26 -4.42 135.00 133.36 2q3r s PRO 150 Ca 0.74 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 63.07 2q3r s PRO 150 Cb -0.90 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2q3r s PRO 150 CO 0.53 -0.28 0.56 0.50 0.04 0.00 0.00 177.00 178.35 2q3r s ARG 151 N -2.76 4.28 -0.13 4.56 3.52 -0.35 -4.22 118.95 123.85 2q3r s ARG 151 Ca 0.61 0.54 -0.29 0.00 -0.13 0.00 0.00 55.73 56.46 2q3r s ARG 151 Cb -0.21 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 2q3r s ARG 151 CO 0.26 -0.04 1.56 0.50 -0.81 0.00 0.00 175.30 176.77 2q3r s ARG 152 N 1.25 4.07 0.20 5.12 3.52 -1.25 -2.43 118.95 129.43 2q3r s ARG 152 Ca 0.28 1.91 -0.32 0.00 -0.13 0.00 0.00 55.73 57.47 2q3r s ARG 152 Cb -0.16 -3.96 -0.11 0.00 -1.56 0.00 0.00 34.95 29.17 2q3r s ARG 152 CO 0.11 -0.96 1.64 -0.51 -0.81 0.00 0.00 175.30 174.77 2q3r s LEU 153 N 4.30 4.37 0.42 -0.88 1.43 -0.87 -4.98 118.68 122.47 2q3r s LEU 153 Ca 0.69 2.76 -0.25 0.00 -1.03 0.00 0.00 54.13 56.30 2q3r s LEU 153 Cb -0.28 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.26 2q3r s LEU 153 CO 0.26 -0.90 1.20 -0.83 0.23 0.00 0.00 176.35 176.31 2q3r s GLY 154 N 1.09 2.86 0.62 -3.19 0.00 -1.26 -4.89 107.32 102.56 2q3r s GLY 154 Ca 0.72 1.01 0.36 0.00 0.00 0.00 0.00 44.72 46.81 2q3r s GLY 154 CO 0.33 1.53 2.29 1.19 0.00 0.00 0.00 173.10 178.44 2q3r h ILE 155 N 2.24 0.28 0.00 0.90 2.10 -2.02 -0.43 117.51 120.58 2q3r h ILE 155 Ca -0.49 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.39 2q3r h ILE 155 Cb 1.24 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 2q3r h ILE 155 CO 0.62 0.01 0.00 -0.62 -1.08 0.00 0.00 178.15 177.08 2q3r n GLU 156 N -3.47 0.62 -0.00 2.19 1.02 -1.26 -2.72 120.64 117.02 2q3r n GLU 156 Ca -0.03 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.16 2q3r n GLU 156 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2q3r n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2q3r n GLU 157 N -1.01 3.42 -0.04 3.49 1.02 -0.17 -4.71 120.64 122.64 2q3r n GLU 157 Ca 0.15 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.13 2q3r n GLU 157 Cb 0.07 -0.99 -0.08 0.00 -0.02 0.00 0.00 31.44 30.43 2q3r n GLU 157 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2q3r h ILE 158 N 0.00 1.36 -0.60 -3.67 2.04 -1.58 -2.85 117.51 112.22 2q3r h ILE 158 Ca 0.00 -1.71 0.03 0.00 1.00 0.00 0.00 64.86 64.18 2q3r h ILE 158 Cb 0.25 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 2q3r h ILE 158 CO 0.00 0.52 0.39 -0.65 0.00 0.00 0.00 178.15 178.41 2q3r h PRO 159 N 0.12 0.68 0.22 2.37 0.11 -1.84 0.39 132.00 134.04 2q3r h PRO 159 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2q3r h PRO 159 Cb 1.04 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2q3r h PRO 159 CO 0.09 0.45 -0.10 0.78 -0.21 0.00 0.00 178.00 179.00 2q3r h GLY 160 N 0.70 -0.31 0.86 -0.55 0.00 -1.85 0.16 103.07 102.08 2q3r h GLY 160 Ca 0.24 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.75 2q3r h GLY 160 CO -0.06 -0.11 0.59 -2.22 0.00 0.00 0.00 176.54 174.73 2q3r h ILE 161 N -0.50 1.07 -0.10 2.60 2.04 -1.21 0.45 117.51 121.87 2q3r h ILE 161 Ca -0.03 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 2q3r h ILE 161 Cb 0.38 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2q3r h ILE 161 CO 0.05 0.19 -0.12 0.58 0.00 0.00 0.00 178.15 178.85 2q3r h VAL 162 N 1.03 1.15 0.00 1.67 2.07 -0.67 0.65 116.25 122.15 2q3r h VAL 162 Ca 0.39 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2q3r h VAL 162 Cb 0.19 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2q3r h VAL 162 CO -0.14 0.20 -0.25 -3.20 0.02 0.00 0.00 177.57 174.20 2q3r n ASN 163 N -4.32 0.57 -0.13 0.57 2.85 0.12 -3.42 115.26 111.50 2q3r n ASN 163 Ca -0.01 0.32 -0.10 0.00 -0.11 0.00 0.00 54.58 54.68 2q3r n ASN 163 Cb 0.24 -0.32 -0.02 0.00 1.24 0.00 0.00 39.78 40.92 2q3r n ASN 163 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2q3r h ASP 164 N 0.00 0.62 -0.31 1.20 3.32 0.19 -1.06 116.42 120.38 2q3r h ASP 164 Ca 0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 2q3r h ASP 164 Cb 0.66 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2q3r h ASP 164 CO 0.00 0.73 -0.17 -0.26 -1.72 0.00 0.00 179.24 177.83 2q3r h PHE 165 N 0.48 0.76 -0.93 4.55 -1.00 -1.54 -1.34 116.94 117.92 2q3r h PHE 165 Ca 0.11 -0.19 0.09 0.00 2.81 0.00 0.00 57.97 60.79 2q3r h PHE 165 Cb 0.39 -0.17 -0.07 0.00 3.61 0.00 0.00 35.95 39.70 2q3r h PHE 165 CO 0.03 0.89 0.58 -0.09 -1.61 0.00 0.00 178.31 178.11 2q3r h ARG 166 N 0.41 0.97 0.67 1.51 2.43 -1.55 0.24 114.38 119.06 2q3r h ARG 166 Ca 0.07 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2q3r h ARG 166 Cb 0.70 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2q3r h ARG 166 CO 0.05 0.64 -0.32 1.25 -1.51 0.00 0.00 179.97 180.08 2q3r h LEU 167 N 1.00 -0.76 -1.60 3.80 5.85 -0.99 0.16 115.31 122.77 2q3r h LEU 167 Ca 0.43 -0.01 0.23 0.00 0.84 0.00 0.00 57.88 59.37 2q3r h LEU 167 Cb 0.30 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2q3r h LEU 167 CO -0.21 -0.45 0.62 0.00 -0.34 0.00 0.00 178.44 178.06 2q3r h ALA 168 N -0.81 2.37 0.24 1.25 0.00 -0.85 0.22 119.26 121.68 2q3r h ALA 168 Ca -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2q3r h ALA 168 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2q3r h ALA 168 CO 0.15 -0.67 -0.12 0.00 0.00 0.00 0.00 179.25 178.61 2q3r h ALA 169 N 1.59 -0.33 -0.83 0.00 0.00 0.15 -1.14 119.26 118.71 2q3r h ALA 169 Ca 0.48 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.39 2q3r h ALA 169 Cb 1.37 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 2q3r h ALA 169 CO -0.16 -0.52 0.36 -0.09 0.00 0.00 0.00 179.25 178.85 2q3r h ARG 170 N -0.66 0.45 0.11 0.00 9.65 0.17 -0.06 114.38 124.04 2q3r h ARG 170 Ca -0.03 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2q3r h ARG 170 Cb 0.46 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2q3r h ARG 170 CO 0.05 0.29 -0.12 -0.91 2.80 0.00 0.00 179.97 182.09 2q3r h ASN 171 N 0.46 -0.33 -0.94 -3.80 2.35 -0.45 -1.94 115.58 110.93 2q3r h ASN 171 Ca 0.48 0.04 0.28 0.00 -0.55 0.00 0.00 56.30 56.55 2q3r h ASN 171 Cb 0.81 0.12 -0.15 0.00 0.05 0.00 0.00 38.32 39.14 2q3r h ASN 171 CO -0.45 -0.19 0.35 0.00 -1.65 0.00 0.00 177.43 175.49 2q3r h ALA 172 N 0.60 1.57 -0.59 -0.83 0.00 0.28 2.10 119.26 122.39 2q3r h ALA 172 Ca 0.01 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2q3r h ALA 172 Cb 0.26 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2q3r h ALA 172 CO -0.05 -0.56 0.29 0.52 0.00 0.00 0.00 179.25 179.45 2q3r h MET 173 N 0.21 0.84 0.00 0.00 2.86 -0.83 0.34 114.93 118.35 2q3r h MET 173 Ca 0.64 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 58.09 2q3r h MET 173 Cb 1.41 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 2q3r h MET 173 CO -0.68 0.68 -0.35 0.93 1.06 0.00 0.00 176.91 178.55 2q3r h GLU 174 N 0.80 0.00 0.00 1.72 5.08 0.34 -0.37 114.58 122.14 2q3r h GLU 174 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2q3r h GLU 174 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2q3r h GLU 174 CO -0.03 0.35 -0.16 0.00 -1.00 0.00 0.00 179.01 178.17 2q3r h ALA 175 N 1.65 0.96 0.00 3.43 0.00 0.25 -3.47 119.26 122.08 2q3r h ALA 175 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2q3r h ALA 175 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2q3r h ALA 175 CO 0.05 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2q3r n GLY 176 N 0.48 1.02 3.75 0.00 0.00 0.11 -4.25 105.19 106.29 2q3r n GLY 176 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2q3r n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q3r s PHE 177 N -2.00 2.37 -0.26 1.61 0.40 -0.37 -4.92 117.98 114.81 2q3r s PHE 177 Ca 0.00 1.58 0.22 0.00 -0.60 0.00 0.00 56.93 58.12 2q3r s PHE 177 Cb 0.00 -3.31 0.40 0.00 0.51 0.00 0.00 43.02 40.62 2q3r s PHE 177 CO 0.00 -2.09 1.61 -0.44 0.70 0.00 0.00 175.22 175.00 2q3r h ASP 178 N -0.08 0.00 -0.99 1.36 3.32 -1.44 -3.42 116.42 115.17 2q3r h ASP 178 Ca -0.47 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.67 2q3r h ASP 178 Cb 1.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 2q3r h ASP 178 CO 0.52 0.17 0.27 0.61 -1.72 0.00 0.00 179.24 179.09 2q3r n GLY 179 N 0.96 0.70 3.06 2.75 0.00 -1.22 -4.77 105.19 106.68 2q3r n GLY 179 Ca 0.03 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.21 0.77 -0.22 1.61 1.01 0.02 -1.59 120.40 119.78 2q3r s VAL 180 Ca 0.09 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2q3r s VAL 180 Cb -0.01 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.70 2q3r s VAL 180 CO 0.01 -0.00 -0.14 -0.70 0.00 0.00 0.00 175.10 174.27 2q3r s GLU 181 N -0.80 2.77 -0.25 2.72 2.12 -0.87 0.23 118.70 124.61 2q3r s GLU 181 Ca -0.00 -0.99 -0.29 0.00 0.36 0.00 0.00 54.97 54.04 2q3r s GLU 181 Cb -0.06 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.56 2q3r s GLU 181 CO 0.00 -0.35 1.21 0.42 -0.54 0.00 0.00 175.26 176.00 2q3r s ILE 182 N 1.25 4.33 -1.14 -3.70 1.01 0.12 -0.50 121.20 122.58 2q3r s ILE 182 Ca 0.00 1.56 -0.22 0.00 0.00 0.00 0.00 60.65 62.00 2q3r s ILE 182 Cb -0.16 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 2q3r s ILE 182 CO -0.09 -0.32 1.78 -2.28 0.00 0.00 0.00 174.94 174.04 2q3r s HIS 183 N 3.79 2.29 -0.43 3.97 2.46 0.12 -0.69 115.29 126.80 2q3r s HIS 183 Ca 0.52 -0.40 0.05 0.00 0.47 0.00 0.00 55.06 55.70 2q3r s HIS 183 Cb -0.17 -4.38 0.68 0.00 -0.13 0.00 0.00 32.58 28.58 2q3r s HIS 183 CO 0.16 -1.63 1.89 0.41 -2.47 0.00 0.00 174.74 173.11 2q3r n GLY 184 N 6.08 4.36 0.00 1.59 0.00 0.61 -4.74 105.19 113.09 2q3r n GLY 184 Ca 0.43 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.97 0.00 -2.08 4.61 0.00 -0.92 -4.25 120.51 116.89 2q3r n ALA 185 Ca 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.95 2q3r n ALA 185 Cb 1.62 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 21.06 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 -1.33 -2.03 -1.74 0.00 3.02 -1.26 -2.72 115.26 109.21 2q3r n ASN 186 Ca 0.00 0.30 -0.09 0.00 -0.03 0.00 0.00 54.58 54.75 2q3r n ASN 186 Cb 0.00 -1.91 0.03 0.00 -0.61 0.00 0.00 39.78 37.30 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 -0.47 0.35 2.91 7.41 0.00 -1.26 -4.71 105.19 109.42 2q3r n GLY 187 Ca -0.06 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2q3r n GLY 187 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q3r n TYR 188 N -3.45 3.69 0.00 1.61 4.01 -1.10 -4.66 117.16 117.26 2q3r n TYR 188 Ca -0.00 -4.11 0.00 0.00 -0.16 0.00 0.00 57.90 53.63 2q3r n TYR 188 Cb 0.53 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 2q3r n TYR 188 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2q3r n LEU 189 N 1.87 0.00 0.02 7.72 7.94 -1.24 -3.91 117.00 129.40 2q3r n LEU 189 Ca 0.23 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.02 2q3r n LEU 189 Cb 0.37 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.27 2q3r n LEU 189 CO 0.36 0.00 0.65 0.40 -1.11 0.00 0.00 177.39 177.69 2q3r h ILE 190 N 0.00 0.30 -0.16 1.96 2.04 -1.85 0.66 117.51 120.45 2q3r h ILE 190 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2q3r h ILE 190 Cb 0.00 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2q3r h ILE 190 CO 0.00 0.00 0.03 -0.78 0.00 0.00 0.00 178.15 177.40 2q3r h ASP 191 N -0.42 0.20 -0.92 1.72 3.58 -1.74 -1.24 116.42 117.61 2q3r h ASP 191 Ca 0.08 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2q3r h ASP 191 Cb 0.55 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 2q3r h ASP 191 CO -0.32 0.23 0.57 1.56 -2.88 0.00 0.00 179.24 178.40 2q3r h GLN 192 N 0.23 1.23 0.00 0.28 4.20 -0.23 -1.24 115.11 119.59 2q3r h GLN 192 Ca 0.06 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2q3r h GLN 192 Cb 0.12 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2q3r h GLN 192 CO -0.00 0.85 -0.30 0.74 -0.67 0.00 0.00 178.83 179.45 2q3r h PHE 193 N 1.26 0.00 0.00 2.96 -1.00 0.12 -3.09 116.94 117.19 2q3r h PHE 193 Ca 0.33 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.86 2q3r h PHE 193 Cb -0.09 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 2q3r h PHE 193 CO 0.00 0.30 -1.47 0.52 -1.61 0.00 0.00 178.31 176.05 2q3r h MET 194 N 0.00 0.00 -6.16 1.51 2.86 -0.98 -3.42 114.93 108.74 2q3r h MET 194 Ca -0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.07 2q3r h MET 194 Cb 0.83 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.44 2q3r h MET 194 CO 0.04 0.60 0.47 0.15 1.06 0.00 0.00 176.91 179.23 2q3r s LYS 195 N -2.66 4.40 0.27 1.72 -0.14 -0.54 -4.87 119.74 117.92 2q3r s LYS 195 Ca -0.03 1.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.84 2q3r s LYS 195 Cb 0.09 -3.54 0.56 0.00 -1.68 0.00 0.00 37.83 33.26 2q3r s LYS 195 CO 0.82 -0.28 1.79 0.38 -0.76 0.00 0.00 175.35 177.30 2q3r h ASP 196 N 7.12 0.68 0.52 2.83 3.04 -1.81 1.31 116.42 130.12 2q3r h ASP 196 Ca -0.32 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 2q3r h ASP 196 Cb 1.15 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 2q3r h ASP 196 CO 0.84 0.31 0.00 0.35 -2.04 0.00 0.00 179.24 178.70 2q3r n THR 197 N -4.78 0.77 -0.04 1.15 -2.24 -1.25 -3.71 114.28 104.18 2q3r n THR 197 Ca 0.18 0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 62.06 2q3r n THR 197 Cb 0.43 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.45 0.67 -2.66 2.28 0.31 0.76 -4.94 118.33 113.30 2q3r n VAL 198 Ca 0.05 -0.08 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 2q3r n VAL 198 Cb 0.18 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 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 -5.93 6.34 -0.10 4.52 3.84 0.42 -4.54 114.94 119.49 2q3r s ASN 199 Ca -0.14 -0.20 0.15 0.00 0.21 0.00 0.00 52.86 52.88 2q3r s ASN 199 Cb 0.05 -2.52 0.23 0.00 -0.55 0.00 0.00 41.25 38.46 2q3r s ASN 199 CO 0.18 -1.49 1.11 -0.90 -2.79 0.00 0.00 177.10 173.21 2q3r n ASP 200 N 8.36 1.97 -4.65 -4.21 5.75 -1.26 -4.56 116.55 117.95 2q3r n ASP 200 Ca 0.05 -2.85 -0.36 0.00 -0.01 0.00 0.00 54.79 51.61 2q3r n ASP 200 Cb 0.48 -0.37 0.08 0.00 -1.03 0.00 0.00 41.12 40.28 2q3r n ASP 200 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2q3r n ARG 201 N -1.17 0.70 -0.53 0.11 1.74 -1.26 -4.71 116.66 111.54 2q3r n ARG 201 Ca 0.13 0.30 0.04 0.00 -0.77 0.00 0.00 57.85 57.54 2q3r n ARG 201 Cb 0.63 -2.31 0.22 0.00 -1.02 0.00 0.00 32.46 29.98 2q3r n ARG 201 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2q3r n THR 202 N -2.28 2.33 -3.63 0.55 -2.24 -1.26 -1.57 114.28 106.18 2q3r n THR 202 Ca 0.14 -2.28 0.00 0.00 -2.27 0.00 0.00 64.05 59.64 2q3r n THR 202 Cb 0.49 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2q3r n THR 202 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3r n ASP 203 N -0.88 1.83 0.16 3.42 3.85 -1.26 -5.00 116.55 118.66 2q3r n ASP 203 Ca 0.25 -0.71 0.12 0.00 -0.71 0.00 0.00 54.79 53.73 2q3r n ASP 203 Cb 0.91 0.00 0.57 0.00 -1.35 0.00 0.00 41.12 41.25 2q3r n ASP 203 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2q3r n GLU 204 N -0.06 0.17 -0.59 0.11 0.28 -1.26 -2.15 120.64 117.14 2q3r n GLU 204 Ca 0.00 0.56 0.08 0.00 -0.16 0.00 0.00 57.16 57.64 2q3r n GLU 204 Cb 0.00 -1.94 0.33 0.00 1.43 0.00 0.00 31.44 31.25 2q3r n GLU 204 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2q3r n TYR 205 N -2.29 1.41 -3.86 -1.84 4.01 -1.26 -4.48 117.16 108.86 2q3r n TYR 205 Ca -0.00 -0.55 -0.02 0.00 -0.16 0.00 0.00 57.90 57.17 2q3r n TYR 205 Cb 0.12 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 38.90 2q3r n TYR 205 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2q3r s GLY 206 N -0.83 -0.02 0.00 2.72 0.00 -0.91 -4.13 107.32 104.15 2q3r s GLY 206 Ca 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2q3r s GLY 206 CO 0.21 2.37 0.00 0.61 0.00 0.00 0.00 173.10 176.29 2q3r n GLY 207 N -0.68 0.69 3.52 0.20 0.00 -0.61 -4.26 105.19 104.05 2q3r n GLY 207 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.98 -0.34 0.15 1.61 1.04 -1.26 -5.01 113.70 106.91 2q3r s SER 208 Ca 0.00 -0.02 -0.18 0.00 0.48 0.00 0.00 55.95 56.24 2q3r s SER 208 Cb 0.00 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.55 2q3r s SER 208 CO 0.00 -0.60 1.69 0.25 0.98 0.00 0.00 173.24 175.56 2q3r h LEU 209 N 2.00 -0.25 0.60 2.42 5.85 -1.96 0.08 115.31 124.05 2q3r h LEU 209 Ca -0.21 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2q3r h LEU 209 Cb 1.24 0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.46 2q3r h LEU 209 CO 0.30 -0.09 -0.29 1.56 -0.34 0.00 0.00 178.44 179.59 2q3r h GLN 210 N 0.03 -0.78 -0.69 1.25 4.20 -1.98 -1.83 115.11 115.30 2q3r h GLN 210 Ca 0.16 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.07 2q3r h GLN 210 Cb 0.24 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 2q3r h GLN 210 CO -0.32 -0.52 0.47 -0.91 -0.67 0.00 0.00 178.83 176.88 2q3r h ASN 211 N -0.81 0.29 0.63 1.46 4.21 -1.72 -0.56 115.58 119.07 2q3r h ASN 211 Ca -0.08 0.02 -0.16 0.00 1.21 0.00 0.00 56.30 57.28 2q3r h ASN 211 Cb 0.62 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 2q3r h ASN 211 CO 0.14 0.15 -0.74 0.03 -1.29 0.00 0.00 177.43 175.71 2q3r h ARG 212 N 0.31 0.08 -0.01 0.81 3.08 -0.60 -3.09 114.38 114.96 2q3r h ARG 212 Ca 0.34 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2q3r h ARG 212 Cb 0.89 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2q3r h ARG 212 CO -0.09 0.79 -0.18 0.00 -1.07 0.00 0.00 179.97 179.42 2q3r h LYS 214 N 0.95 1.31 0.49 0.00 3.64 -1.25 -1.47 116.57 120.24 2q3r h LYS 214 Ca 0.00 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2q3r h LYS 214 Cb 0.44 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2q3r h LYS 214 CO 0.00 0.87 -0.23 0.35 -2.27 0.00 0.00 179.45 178.16 2q3r h PHE 215 N 1.35 -0.61 -0.73 1.91 3.57 -1.76 0.13 116.94 120.80 2q3r h PHE 215 Ca 0.38 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 2q3r h PHE 215 Cb -0.13 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2q3r h PHE 215 CO -0.00 -0.34 0.32 -1.00 -2.23 0.00 0.00 178.31 175.06 2q3r h PRO 216 N -0.72 1.07 -0.40 6.41 0.13 -1.78 -2.36 132.00 134.34 2q3r h PRO 216 Ca -0.07 -0.18 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 2q3r h PRO 216 Cb 0.53 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2q3r h PRO 216 CO 0.11 0.86 0.09 -0.07 -0.23 0.00 0.00 178.00 178.76 2q3r h LEU 217 N 1.04 0.56 -1.41 1.56 3.38 -1.19 0.54 115.31 119.78 2q3r h LEU 217 Ca 0.25 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2q3r h LEU 217 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2q3r h LEU 217 CO -0.03 0.57 -0.29 -0.33 0.09 0.00 0.00 178.44 178.45 2q3r h GLU 218 N 0.59 0.00 0.08 1.13 5.08 -0.56 0.19 114.58 121.10 2q3r h GLU 218 Ca 0.13 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 2q3r h GLU 218 Cb 0.24 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.51 2q3r h GLU 218 CO -0.00 0.29 -0.74 0.82 -1.00 0.00 0.00 179.01 178.38 2q3r h ILE 219 N 0.00 1.47 -0.56 3.13 2.04 -0.67 -2.57 117.51 120.35 2q3r h ILE 219 Ca -0.00 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.50 2q3r h ILE 219 Cb 0.52 2.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.51 2q3r h ILE 219 CO 0.04 0.67 0.30 0.58 0.00 0.00 0.00 178.15 179.74 2q3r h VAL 220 N -0.24 1.19 0.17 1.67 2.07 -0.73 -0.96 116.25 119.42 2q3r h VAL 220 Ca -0.12 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 66.93 2q3r h VAL 220 Cb 1.52 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2q3r h VAL 220 CO 0.14 0.21 -0.32 -0.78 0.02 0.00 0.00 177.57 176.84 2q3r h ASP 221 N 0.75 -0.91 -0.28 0.57 3.58 -0.67 -0.58 116.42 118.89 2q3r h ASP 221 Ca 0.20 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2q3r h ASP 221 Cb 0.06 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2q3r h ASP 221 CO -0.03 -0.42 0.18 0.00 -2.88 0.00 0.00 179.24 176.09 2q3r h ALA 222 N 0.04 0.36 -0.36 -0.78 0.00 -1.29 -1.84 119.26 115.39 2q3r h ALA 222 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2q3r h ALA 222 Cb 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2q3r h ALA 222 CO -0.16 -0.17 0.18 0.28 0.00 0.00 0.00 179.25 179.38 2q3r h VAL 223 N 0.37 1.17 0.00 0.00 2.07 -1.09 -1.27 116.25 117.50 2q3r h VAL 223 Ca 0.10 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2q3r h VAL 223 Cb -0.03 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2q3r h VAL 223 CO -0.02 0.17 -0.13 0.00 0.02 0.00 0.00 177.57 177.61 2q3r h ALA 224 N 1.03 1.65 0.02 1.67 0.00 -0.95 -0.86 119.26 121.82 2q3r h ALA 224 Ca 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2q3r h ALA 224 Cb 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2q3r h ALA 224 CO -0.02 0.17 -0.22 0.87 0.00 0.00 0.00 179.25 180.05 2q3r h LYS 225 N 0.00 0.11 0.37 0.00 1.57 -0.94 0.14 116.57 117.83 2q3r h LYS 225 Ca -0.00 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2q3r h LYS 225 Cb 0.25 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2q3r h LYS 225 CO 0.02 0.98 -0.18 1.49 -0.57 0.00 0.00 179.45 181.18 2q3r h GLU 226 N -0.68 -0.48 -0.00 3.15 4.57 -1.02 -3.32 114.58 116.80 2q3r h GLU 226 Ca -0.03 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2q3r h GLU 226 Cb 1.07 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2q3r h GLU 226 CO 0.04 -0.29 -0.84 0.44 -1.18 0.00 0.00 179.01 177.18 2q3r n ILE 227 N -5.28 0.00 0.00 2.32 -5.35 -0.35 -4.99 119.36 105.71 2q3r n ILE 227 Ca -0.11 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2q3r n ILE 227 Cb 0.23 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 1.44 1.90 0.25 3.28 0.00 0.46 -4.63 105.19 107.89 2q3r n GLY 228 Ca 0.04 -1.53 0.17 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.73 -2.69 132.00 129.32 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 -2.79 0.36 -0.22 1.44 3.85 -1.26 0.12 116.55 118.05 2q3r n ASP 230 Ca -0.00 0.56 0.09 0.00 -0.71 0.00 0.00 54.79 54.73 2q3r n ASP 230 Cb 0.19 -0.65 0.16 0.00 -1.35 0.00 0.00 41.12 39.46 2q3r n ASP 230 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2q3r n ARG 231 N -1.87 1.34 -4.97 0.11 1.74 -1.01 -4.66 116.66 107.34 2q3r n ARG 231 Ca 0.04 -2.75 -0.32 0.00 -0.77 0.00 0.00 57.85 54.05 2q3r n ARG 231 Cb 0.28 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.06 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 -2.93 2.66 0.21 1.55 1.01 -1.11 -0.80 120.40 120.99 2q3r s VAL 232 Ca 0.33 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2q3r s VAL 232 Cb 0.30 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2q3r s VAL 232 CO 0.00 0.55 -0.03 -0.83 0.00 0.00 0.00 175.10 174.79 2q3r s GLY 233 N 0.18 1.42 -0.14 4.51 0.00 0.14 -0.60 107.32 112.81 2q3r s GLY 233 Ca -0.10 -1.69 -0.08 0.00 0.00 0.00 0.00 44.72 42.85 2q3r s GLY 233 CO 0.06 -1.65 0.35 -1.50 0.00 0.00 0.00 173.10 170.36 2q3r s ILE 234 N -3.39 -0.03 -0.18 0.90 2.07 -1.13 0.12 121.20 119.57 2q3r s ILE 234 Ca 0.25 0.11 -0.10 0.00 -1.41 0.00 0.00 60.65 59.51 2q3r s ILE 234 Cb 0.05 -0.52 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 2q3r s ILE 234 CO 0.06 0.05 0.15 -0.60 -1.91 0.00 0.00 174.94 172.69 2q3r s ARG 235 N 1.33 4.04 0.08 3.50 3.52 0.13 -0.95 118.95 130.60 2q3r s ARG 235 Ca -0.09 -0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.38 2q3r s ARG 235 Cb -0.09 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2q3r s ARG 235 CO -0.11 0.40 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.14 2q3r s LEU 236 N 0.07 2.31 -0.41 -0.88 1.43 0.13 -0.28 118.68 121.05 2q3r s LEU 236 Ca 0.10 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2q3r s LEU 236 Cb -0.11 -0.44 0.23 0.00 0.03 0.00 0.00 46.19 45.89 2q3r s LEU 236 CO -0.00 -0.13 0.51 -1.54 0.23 0.00 0.00 176.35 175.42 2q3r n SER 237 N 1.11 -0.30 0.29 2.29 3.41 -1.26 -2.14 113.62 117.02 2q3r n SER 237 Ca -0.20 -2.66 0.19 0.00 -0.26 0.00 0.00 58.87 55.94 2q3r n SER 237 Cb 0.55 -0.39 0.94 0.00 -0.26 0.00 0.00 64.21 65.05 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 4.43 0.00 0.00 4.33 0.13 -1.88 -2.87 132.00 136.14 2q3r h PRO 238 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2q3r h PRO 238 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2q3r h PRO 238 CO 0.42 0.00 -1.18 1.19 -0.23 0.00 0.00 178.00 178.20 2q3r n PHE 239 N -2.95 0.02 -2.40 1.56 3.01 -1.26 -4.51 117.46 110.92 2q3r n PHE 239 Ca -0.01 0.01 -0.28 0.00 1.01 0.00 0.00 57.45 58.17 2q3r n PHE 239 Cb 0.15 -0.14 0.02 0.00 -0.01 0.00 0.00 39.48 39.50 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 -3.12 3.30 -0.04 4.37 0.00 -1.09 -4.62 121.76 120.57 2q3r s ALA 240 Ca 0.05 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.59 2q3r s ALA 240 Cb 0.16 -2.68 0.17 0.00 0.00 0.00 0.00 23.12 20.76 2q3r s ALA 240 CO 0.87 -0.61 1.08 -0.40 0.00 0.00 0.00 175.76 176.69 2q3r n ASP 241 N -2.49 0.76 -4.62 0.00 5.75 -1.26 -4.13 116.55 110.57 2q3r n ASP 241 Ca 0.03 -2.34 -0.48 0.00 -0.01 0.00 0.00 54.79 51.99 2q3r n ASP 241 Cb 0.56 -0.29 -0.04 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.26 1.73 -3.43 2.11 9.36 -1.26 -1.67 117.16 123.73 2q3r n TYR 242 Ca 0.06 0.54 -0.18 0.00 3.32 0.00 0.00 57.90 61.63 2q3r n TYR 242 Cb 0.77 -2.38 0.07 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 2.32 -4.34 -4.11 2.98 2.81 -1.26 -3.19 117.12 112.32 2q3r n MET 243 Ca 0.15 0.79 -0.39 0.00 -1.81 0.00 0.00 57.70 56.44 2q3r n MET 243 Cb 0.25 -5.60 -0.02 0.00 -0.71 0.00 0.00 33.22 27.14 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 -3.84 -0.79 -0.39 0.03 1.02 -0.67 -4.88 120.64 111.12 2q3r n GLU 244 Ca -0.20 0.13 0.06 0.00 -0.02 0.00 0.00 57.16 57.14 2q3r n GLU 244 Cb 0.65 -3.15 0.19 0.00 -0.02 0.00 0.00 31.44 29.11 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 -2.50 2.52 -4.76 1.62 3.41 -0.87 -4.80 113.62 108.24 2q3r n SER 245 Ca -0.20 -3.39 -0.34 0.00 -0.26 0.00 0.00 58.87 54.69 2q3r n SER 245 Cb 0.62 -0.51 0.06 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.72 2.27 -0.04 5.00 0.00 -1.26 -4.56 107.32 106.01 2q3r s GLY 246 Ca 0.38 0.68 0.07 0.00 0.00 0.00 0.00 44.72 45.84 2q3r s GLY 246 CO 0.01 1.05 -0.24 -0.35 0.00 0.00 0.00 173.10 173.57 2q3r s ASP 247 N -2.32 3.16 0.57 1.64 -1.08 -1.26 -3.79 116.67 113.59 2q3r s ASP 247 Ca 0.70 -0.46 0.32 0.00 -0.52 0.00 0.00 52.55 52.59 2q3r s ASP 247 Cb -0.23 -0.58 1.72 0.00 -1.46 0.00 0.00 42.92 42.37 2q3r s ASP 247 CO 0.41 0.29 2.17 0.71 0.52 0.00 0.00 175.17 179.27 2q3r h THR 248 N 4.69 0.41 -1.91 1.71 1.35 -1.96 -3.27 112.91 113.93 2q3r h THR 248 Ca -0.39 -0.30 -0.54 0.00 -0.55 0.00 0.00 66.41 64.63 2q3r h THR 248 Cb 1.14 1.21 -0.37 0.00 -1.73 0.00 0.00 68.15 68.40 2q3r h THR 248 CO 0.47 0.06 -1.04 -3.20 -0.25 0.00 0.00 175.52 171.56 2q3r n ASN 249 N -3.55 -0.16 0.14 5.36 2.85 -1.26 -4.97 115.26 113.67 2q3r n ASN 249 Ca -0.02 -2.69 0.10 0.00 -0.11 0.00 0.00 54.58 51.86 2q3r n ASN 249 Cb 0.17 -0.44 0.50 0.00 1.24 0.00 0.00 39.78 41.26 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 1.64 0.14 0.12 1.20 -0.04 -1.23 -2.12 135.00 134.69 2q3r n PRO 250 Ca 0.21 0.56 -0.22 0.00 -0.04 0.00 0.00 63.50 64.02 2q3r n PRO 250 Cb 0.53 -1.89 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.60 0.49 1.32 0.55 0.00 -1.93 -3.17 103.07 100.93 2q3r h GLY 251 Ca 0.00 -1.26 -0.15 0.00 0.00 0.00 0.00 47.33 45.92 2q3r h GLY 251 CO 0.00 1.10 -0.44 0.00 0.00 0.00 0.00 176.54 177.20 2q3r h ALA 252 N 0.27 0.68 0.26 3.60 0.00 -1.86 -3.00 119.26 119.21 2q3r h ALA 252 Ca -0.25 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2q3r h ALA 252 Cb 2.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2q3r h ALA 252 CO 0.23 0.67 -0.13 1.25 0.00 0.00 0.00 179.25 181.27 2q3r h LEU 253 N 0.60 -0.32 0.00 0.00 5.85 -1.65 -2.54 115.31 117.24 2q3r h LEU 253 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2q3r h LEU 253 Cb 0.99 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2q3r h LEU 253 CO 0.09 -0.22 0.00 0.61 -0.34 0.00 0.00 178.44 178.58 2q3r n GLY 254 N -1.25 -3.04 0.33 3.75 0.00 -1.17 -1.71 105.19 102.11 2q3r n GLY 254 Ca -0.09 0.39 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 2q3r n GLY 254 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2q3r h LEU 255 N 0.00 -1.08 -0.85 0.99 5.85 -1.62 -0.02 115.31 118.59 2q3r h LEU 255 Ca 0.00 0.22 0.18 0.00 0.84 0.00 0.00 57.88 59.12 2q3r h LEU 255 Cb 0.00 0.55 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 2q3r h LEU 255 CO 0.00 -0.29 0.38 0.22 -0.34 0.00 0.00 178.44 178.41 2q3r h TYR 256 N -0.14 0.64 -0.18 1.25 3.20 -1.33 0.17 116.97 120.58 2q3r h TYR 256 Ca 0.25 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2q3r h TYR 256 Cb 0.54 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2q3r h TYR 256 CO -0.63 0.04 -0.02 0.52 -1.64 0.00 0.00 178.16 176.44 2q3r h MET 257 N 0.47 0.34 -0.19 1.82 2.86 -0.14 0.92 114.93 121.01 2q3r h MET 257 Ca 0.50 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 58.04 2q3r h MET 257 Cb 0.84 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 2q3r h MET 257 CO -0.45 0.57 0.05 0.00 1.06 0.00 0.00 176.91 178.13 2q3r h ALA 258 N 0.76 0.20 0.47 6.32 0.00 -0.24 -0.21 119.26 126.54 2q3r h ALA 258 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2q3r h ALA 258 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2q3r h ALA 258 CO 0.01 -0.39 -0.22 0.93 0.00 0.00 0.00 179.25 179.58 2q3r h GLU 259 N 0.13 -0.60 -0.66 0.00 5.08 -0.67 -2.96 114.58 114.90 2q3r h GLU 259 Ca 0.08 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.60 2q3r h GLU 259 Cb 0.07 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 2q3r h GLU 259 CO -0.10 -0.40 0.23 0.77 -1.00 0.00 0.00 179.01 178.51 2q3r h SER 260 N -0.63 0.20 -0.07 1.42 0.02 -0.61 -1.17 113.55 112.71 2q3r h SER 260 Ca -0.06 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2q3r h SER 260 Cb 0.48 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 2q3r h SER 260 CO 0.10 0.10 0.04 -0.07 -1.14 0.00 0.00 176.83 175.87 2q3r h LEU 261 N 0.39 0.05 -0.58 5.07 3.38 -0.96 -2.92 115.31 119.74 2q3r h LEU 261 Ca 0.34 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.43 2q3r h LEU 261 Cb 0.47 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 2q3r h LEU 261 CO -0.36 0.03 -0.15 0.78 0.09 0.00 0.00 178.44 178.83 2q3r h ASN 262 N 0.05 -0.56 -1.25 -0.43 2.35 -1.04 0.27 115.58 114.97 2q3r h ASN 262 Ca 0.03 0.18 0.44 0.00 -0.55 0.00 0.00 56.30 56.39 2q3r h ASN 262 Cb 0.04 0.37 -0.15 0.00 0.05 0.00 0.00 38.32 38.63 2q3r h ASN 262 CO -0.00 -0.20 0.77 0.50 -1.65 0.00 0.00 177.43 176.85 2q3r h LYS 263 N -0.01 0.05 0.00 0.81 3.64 -1.65 1.13 116.57 120.54 2q3r h LYS 263 Ca 0.28 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2q3r h LYS 263 Cb 0.43 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2q3r h LYS 263 CO -0.60 0.03 -0.57 1.88 -2.27 0.00 0.00 179.45 177.92 2q3r h TYR 264 N 0.05 0.00 -6.15 1.91 -1.99 -1.14 -3.48 116.97 106.16 2q3r h TYR 264 Ca 0.85 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 61.15 2q3r h TYR 264 Cb 2.55 0.00 0.04 0.00 2.00 0.00 0.00 36.73 41.32 2q3r h TYR 264 CO -0.01 0.00 -0.85 0.41 -0.00 0.00 0.00 178.16 177.71 2q3r n GLY 265 N 1.17 -0.34 3.90 3.88 0.00 0.39 -4.77 105.19 109.41 2q3r n GLY 265 Ca 0.02 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.71 2.00 0.07 -0.61 -4.36 -1.26 -4.47 121.20 108.86 2q3r s ILE 266 Ca 0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 60.65 60.18 2q3r s ILE 266 Cb -0.01 -2.98 -0.16 0.00 1.25 0.00 0.00 42.46 40.56 2q3r s ILE 266 CO 0.83 0.00 1.64 0.25 0.24 0.00 0.00 174.94 177.89 2q3r h LEU 267 N -1.21 -0.12 -7.76 0.37 5.85 0.33 -3.44 115.31 109.34 2q3r h LEU 267 Ca -0.46 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 2q3r h LEU 267 Cb 1.31 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.26 2q3r h LEU 267 CO 0.60 -0.01 -0.13 -0.72 -0.34 0.00 0.00 178.44 177.85 2q3r s TYR 268 N -5.84 0.04 -0.18 1.25 -0.85 -0.92 -1.67 117.35 109.18 2q3r s TYR 268 Ca -0.14 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.02 2q3r s TYR 268 Cb 0.05 0.20 0.03 0.00 0.38 0.00 0.00 41.96 42.61 2q3r s TYR 268 CO 0.65 -0.79 -0.16 0.00 -1.52 0.00 0.00 175.55 173.74 2q3r s HIS 270 N 1.37 3.04 0.02 0.00 2.46 -0.13 -0.31 115.29 121.75 2q3r s HIS 270 Ca 0.03 -0.52 0.03 0.00 0.47 0.00 0.00 55.06 55.08 2q3r s HIS 270 Cb -0.14 -2.12 -0.01 0.00 -0.13 0.00 0.00 32.58 30.17 2q3r s HIS 270 CO -0.11 -0.31 -0.10 0.08 -2.47 0.00 0.00 174.74 171.83 2q3r s VAL 271 N 1.21 0.81 -0.18 0.89 1.01 0.21 0.18 120.40 124.53 2q3r s VAL 271 Ca 0.03 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 2q3r s VAL 271 Cb -0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2q3r s VAL 271 CO 0.01 0.03 0.31 -0.63 0.00 0.00 0.00 175.10 174.83 2q3r s ILE 272 N -0.63 5.28 0.60 2.22 1.01 -0.91 -0.61 121.20 128.16 2q3r s ILE 272 Ca 0.00 0.57 -0.20 0.00 0.00 0.00 0.00 60.65 61.03 2q3r s ILE 272 Cb -0.06 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2q3r s ILE 272 CO 0.00 0.35 1.30 -0.70 0.00 0.00 0.00 174.94 175.89 2q3r s GLU 273 N 0.76 2.88 0.59 2.79 2.56 0.85 -4.72 118.70 124.40 2q3r s GLU 273 Ca 0.17 2.07 -0.19 0.00 0.00 0.00 0.00 54.97 57.02 2q3r s GLU 273 Cb -0.14 -2.02 -0.06 0.00 2.00 0.00 0.00 34.13 33.91 2q3r s GLU 273 CO 0.05 -1.35 0.85 0.00 -0.56 0.00 0.00 175.26 174.26 2q3r n ALA 274 N -1.49 -0.17 -1.04 6.30 0.00 -1.26 -4.58 120.51 118.27 2q3r n ALA 274 Ca 0.13 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.31 2q3r n ALA 274 Cb 0.47 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 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 -0.72 0.00 0.00 0.00 1.74 -1.26 -5.08 116.66 111.34 2q3r n ARG 275 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2q3r n ARG 275 Cb 0.47 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 2q3r n ARG 275 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q3r n MET 276 N 5.63 0.00 -0.54 5.56 0.00 -1.26 -5.20 117.12 121.31 2q3r n MET 276 Ca 0.46 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.99 2q3r n MET 276 Cb 0.03 0.00 0.14 0.00 0.00 0.00 0.00 33.22 33.39 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 -2.29 0.00 3.17 8.25 -1.26 -4.34 115.22 118.76 2q3r n HIS 287 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2q3r n HIS 287 Cb 0.00 -1.38 0.00 0.00 1.12 0.00 0.00 29.99 29.73 2q3r n HIS 287 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2q3r n THR 288 N -4.31 0.00 0.05 1.59 5.66 -1.26 -5.02 114.28 110.99 2q3r n THR 288 Ca 0.05 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.92 2q3r n THR 288 Cb 0.34 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.98 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 0.25 -0.67 1.09 4.07 -2.00 -3.38 115.31 114.67 2q3r h LEU 289 Ca 0.00 -0.34 0.14 0.00 0.08 0.00 0.00 57.88 57.75 2q3r h LEU 289 Cb 0.00 -0.08 -0.10 0.00 1.08 0.00 0.00 40.66 41.56 2q3r h LEU 289 CO 0.00 1.28 0.15 0.24 -1.08 0.00 0.00 178.44 179.03 2q3r h MET 290 N 0.04 0.25 -0.80 1.13 2.86 -1.95 -0.48 114.93 115.98 2q3r h MET 290 Ca -0.19 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.51 2q3r h MET 290 Cb 1.96 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 33.50 2q3r h MET 290 CO 0.15 0.17 0.48 -1.35 1.06 0.00 0.00 176.91 177.41 2q3r h PRO 291 N 0.26 0.82 -0.52 -0.22 0.11 -1.99 -1.52 132.00 128.94 2q3r h PRO 291 Ca 0.37 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.32 2q3r h PRO 291 Cb 0.59 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2q3r h PRO 291 CO -0.46 0.54 -0.09 0.52 -0.21 0.00 0.00 178.00 178.29 2q3r h MET 292 N 0.85 0.95 0.00 1.05 2.86 -1.42 -2.35 114.93 116.87 2q3r h MET 292 Ca 0.36 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2q3r h MET 292 Cb 0.24 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2q3r h MET 292 CO -0.20 1.00 0.00 -2.13 1.06 0.00 0.00 176.91 176.64 2q3r n ARG 293 N -4.15 0.00 0.24 1.72 3.00 -0.32 -0.65 116.66 116.49 2q3r n ARG 293 Ca 0.02 0.38 0.17 0.00 -0.00 0.00 0.00 57.85 58.42 2q3r n ARG 293 Cb 0.38 -1.38 0.76 0.00 0.00 0.00 0.00 32.46 32.22 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 0.02 -0.14 1.57 -1.44 0.27 116.57 116.86 2q3r h LYS 294 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2q3r h LYS 294 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2q3r h LYS 294 CO 0.00 0.00 -1.01 0.00 -0.57 0.00 0.00 179.45 177.87 2q3r h ALA 295 N 1.34 0.27 -2.49 3.86 0.00 -1.17 -3.43 119.26 117.64 2q3r h ALA 295 Ca 0.08 -0.72 -0.61 0.00 0.00 0.00 0.00 54.91 53.66 2q3r h ALA 295 Cb 0.91 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 2q3r h ALA 295 CO -0.00 0.79 0.13 0.12 0.00 0.00 0.00 179.25 180.29 2q3r s PHE 296 N -3.21 3.28 0.23 0.00 5.36 0.96 -4.65 117.98 119.94 2q3r s PHE 296 Ca -0.07 0.78 0.05 0.00 -0.96 0.00 0.00 56.93 56.73 2q3r s PHE 296 Cb 0.08 -2.83 0.21 0.00 -0.34 0.00 0.00 43.02 40.15 2q3r s PHE 296 CO 0.88 -0.32 1.53 0.87 -1.46 0.00 0.00 175.22 176.72 2q3r h LYS 297 N 7.93 0.17 0.00 10.12 1.79 -1.84 -3.46 116.57 131.28 2q3r h LYS 297 Ca -0.27 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2q3r h LYS 297 Cb 1.13 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2q3r h LYS 297 CO 0.76 0.78 0.00 0.41 -1.08 0.00 0.00 179.45 180.32 2q3r n GLY 298 N 0.41 -1.46 3.76 3.86 0.00 -1.26 -4.99 105.19 105.50 2q3r n GLY 298 Ca -0.02 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.57 3.32 -0.01 2.61 2.01 -0.67 -4.90 115.64 117.44 2q3r s THR 299 Ca 0.00 1.26 0.05 0.00 0.31 0.00 0.00 61.69 63.31 2q3r s THR 299 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2q3r s THR 299 CO 0.00 0.25 -0.15 0.12 -0.69 0.00 0.00 174.62 174.14 2q3r s PHE 300 N -1.25 2.65 -0.14 4.92 5.36 -1.26 -1.04 117.98 127.22 2q3r s PHE 300 Ca 0.49 -0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.26 2q3r s PHE 300 Cb -0.32 -1.55 0.04 0.00 -0.34 0.00 0.00 43.02 40.84 2q3r s PHE 300 CO 0.41 0.23 -0.05 0.42 -1.46 0.00 0.00 175.22 174.77 2q3r s ILE 301 N -0.84 0.99 0.03 3.12 1.01 0.58 -2.95 121.20 123.15 2q3r s ILE 301 Ca 0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2q3r s ILE 301 Cb -0.11 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2q3r s ILE 301 CO 0.03 0.21 0.18 -0.44 0.00 0.00 0.00 174.94 174.93 2q3r s SER 302 N 1.70 6.27 0.11 3.58 0.01 -0.97 0.63 113.70 125.03 2q3r s SER 302 Ca 0.03 0.27 -0.12 0.00 1.31 0.00 0.00 55.95 57.44 2q3r s SER 302 Cb -0.14 -1.92 0.01 0.00 0.21 0.00 0.00 66.02 64.18 2q3r s SER 302 CO -0.08 0.21 0.29 0.00 0.41 0.00 0.00 173.24 174.07 2q3r s ALA 303 N -1.42 -0.50 0.00 1.44 0.00 0.23 -1.55 121.76 119.96 2q3r s ALA 303 Ca 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2q3r s ALA 303 Cb -0.13 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2q3r s ALA 303 CO 0.24 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2q3r n GLY 304 N -0.14 1.95 2.25 0.00 0.00 -1.26 -0.10 105.19 107.89 2q3r n GLY 304 Ca -0.15 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 1.22 1.29 3.77 -0.02 0.00 -1.26 -4.78 105.19 105.41 2q3r n GLY 305 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2q3r n GLY 305 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q3r s PHE 306 N -2.12 3.23 0.40 1.61 0.40 -1.26 -5.05 117.98 115.20 2q3r s PHE 306 Ca 0.00 1.59 0.08 0.00 -0.60 0.00 0.00 56.93 58.00 2q3r s PHE 306 Cb 0.00 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 2q3r s PHE 306 CO 0.00 -1.07 0.25 0.95 0.70 0.00 0.00 175.22 176.05 2q3r s THR 307 N -1.35 2.56 0.18 0.64 -4.23 -1.26 -4.96 115.64 107.22 2q3r s THR 307 Ca 0.53 -1.56 -0.13 0.00 -1.18 0.00 0.00 61.69 59.34 2q3r s THR 307 Cb -0.31 -3.00 0.08 0.00 1.34 0.00 0.00 72.50 70.61 2q3r s THR 307 CO 0.39 -0.03 1.76 -0.09 -0.54 0.00 0.00 174.62 176.11 2q3r h ARG 308 N 1.30 0.36 0.33 3.99 2.43 -1.99 -0.21 114.38 120.59 2q3r h ARG 308 Ca -0.42 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2q3r h ARG 308 Cb 1.26 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2q3r h ARG 308 CO 0.64 0.24 -0.33 0.93 -1.51 0.00 0.00 179.97 179.94 2q3r h GLU 309 N 0.37 -0.66 -0.73 0.20 3.07 -2.00 0.36 114.58 115.19 2q3r h GLU 309 Ca 0.22 0.04 0.09 0.00 -0.50 0.00 0.00 59.36 59.22 2q3r h GLU 309 Cb 0.21 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 2q3r h GLU 309 CO -0.22 -0.44 0.48 -0.44 -1.40 0.00 0.00 179.01 177.00 2q3r h ASP 310 N -0.68 0.60 0.11 1.42 3.32 -1.89 -2.24 116.42 117.07 2q3r h ASP 310 Ca -0.02 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2q3r h ASP 310 Cb 0.62 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2q3r h ASP 310 CO -0.06 0.37 -0.05 1.23 -1.72 0.00 0.00 179.24 179.00 2q3r h GLY 311 N 0.67 -0.16 0.34 2.75 0.00 -0.32 -0.58 103.07 105.78 2q3r h GLY 311 Ca 0.33 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.83 2q3r h GLY 311 CO -0.12 -0.06 0.26 3.43 0.00 0.00 0.00 176.54 180.06 2q3r h ASN 312 N -0.48 0.27 -0.26 0.19 2.35 -0.64 -1.20 115.58 115.81 2q3r h ASN 312 Ca -0.02 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2q3r h ASN 312 Cb 0.39 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2q3r h ASN 312 CO 0.03 0.15 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.86 2q3r h GLU 313 N 0.45 0.46 -0.99 0.81 4.81 -1.35 0.11 114.58 118.88 2q3r h GLU 313 Ca 0.34 -0.16 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 2q3r h GLU 313 Cb 0.43 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 2q3r h GLU 313 CO -0.33 0.64 0.64 0.00 -0.73 0.00 0.00 179.01 179.24 2q3r h ALA 314 N 0.80 1.44 0.15 2.92 0.00 -0.74 0.42 119.26 124.25 2q3r h ALA 314 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2q3r h ALA 314 Cb 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2q3r h ALA 314 CO 0.02 0.40 -0.07 0.28 0.00 0.00 0.00 179.25 179.88 2q3r h VAL 315 N 1.13 0.91 0.00 0.00 2.07 -1.03 0.12 116.25 119.46 2q3r h VAL 315 Ca 0.43 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2q3r h VAL 315 Cb 0.21 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2q3r h VAL 315 CO -0.18 0.23 -0.11 0.77 0.02 0.00 0.00 177.57 178.30 2q3r h SER 316 N -0.81 0.00 -0.01 0.57 4.64 -0.54 -1.04 113.55 116.35 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 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2q3r h SER 316 CO 0.03 0.11 -0.01 0.29 -0.87 0.00 0.00 176.83 176.38 2q3r n LYS 317 N -3.79 1.78 -1.28 4.77 4.76 0.14 -4.95 118.16 119.59 2q3r n LYS 317 Ca -0.02 -1.16 -0.10 0.00 -2.87 0.00 0.00 58.31 54.17 2q3r n LYS 317 Cb 0.21 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 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 1.22 1.09 0.18 0.72 0.00 -0.40 -4.89 105.19 103.12 2q3r n GLY 318 Ca 0.18 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 0.08 0.00 -3.10 1.61 2.47 -1.01 -3.46 114.38 110.97 2q3r h ARG 319 Ca -0.20 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.53 2q3r h ARG 319 Cb 0.73 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.96 2q3r h ARG 319 CO 0.29 0.00 0.16 -0.08 0.56 0.00 0.00 179.97 180.89 2q3r s THR 320 N -3.31 0.01 -0.23 2.04 -1.32 -1.12 -4.92 115.64 106.79 2q3r s THR 320 Ca 0.06 -0.61 0.01 0.00 -1.21 0.00 0.00 61.69 59.94 2q3r s THR 320 Cb 0.09 -1.54 -0.15 0.00 -1.51 0.00 0.00 72.50 69.39 2q3r s THR 320 CO 0.56 -0.04 -0.20 0.47 -2.21 0.00 0.00 174.62 173.20 2q3r n ASP 321 N -0.40 2.22 -4.21 8.08 8.00 -1.18 -4.32 116.55 124.75 2q3r n ASP 321 Ca -0.10 -0.10 -0.18 0.00 0.71 0.00 0.00 54.79 55.12 2q3r n ASP 321 Cb 0.62 -0.37 -0.11 0.00 -0.02 0.00 0.00 41.12 41.24 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 -6.36 2.35 -0.10 0.64 1.43 -1.15 -4.82 118.68 110.68 2q3r s LEU 322 Ca -0.31 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.09 2q3r s LEU 322 Cb 0.08 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.80 2q3r s LEU 322 CO 0.52 -0.13 -0.18 -0.69 0.23 0.00 0.00 176.35 176.09 2q3r s VAL 323 N -1.84 1.67 -0.21 -1.59 1.01 -0.88 -2.30 120.40 116.25 2q3r s VAL 323 Ca 0.04 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 2q3r s VAL 323 Cb -0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2q3r s VAL 323 CO 0.02 0.47 0.47 0.00 0.00 0.00 0.00 175.10 176.07 2q3r s ALA 324 N 0.65 3.55 -0.20 5.51 0.00 -0.59 -1.33 121.76 129.35 2q3r s ALA 324 Ca -0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2q3r s ALA 324 Cb -0.16 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2q3r s ALA 324 CO 0.04 -0.43 -0.11 0.71 0.00 0.00 0.00 175.76 175.97 2q3r s TYR 325 N 1.61 2.87 0.00 0.00 2.02 0.50 -4.18 117.35 120.17 2q3r s TYR 325 Ca 0.22 -1.17 0.00 0.00 -0.37 0.00 0.00 57.07 55.75 2q3r s TYR 325 Cb -0.15 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 2q3r s TYR 325 CO 0.09 -0.61 0.00 0.41 -1.57 0.00 0.00 175.55 173.87 2q3r n GLY 326 N 4.60 -0.29 0.34 0.71 0.00 -1.26 -1.39 105.19 107.90 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 0.77 0.00 1.61 3.08 -1.95 0.26 114.38 118.16 2q3r h ARG 327 Ca 0.00 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 2q3r h ARG 327 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2q3r h ARG 327 CO 0.00 0.51 -0.90 -1.49 -1.07 0.00 0.00 179.97 177.02 2q3r h TRP 328 N 0.79 0.04 0.00 3.04 -0.00 -1.95 -2.93 115.95 114.94 2q3r h TRP 328 Ca 0.27 -0.03 -0.18 0.00 -0.00 0.00 0.00 58.89 58.96 2q3r h TRP 328 Cb 0.09 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.22 2q3r h TRP 328 CO -0.00 0.91 -0.86 0.35 -0.00 0.00 0.00 178.44 178.84 2q3r h PHE 329 N 0.01 0.00 -0.18 0.49 3.04 -1.60 -2.50 116.94 116.21 2q3r h PHE 329 Ca -0.02 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 2q3r h PHE 329 Cb 1.58 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.08 2q3r h PHE 329 CO 0.00 0.83 0.10 1.25 -2.02 0.00 0.00 178.31 178.47 2q3r h LEU 330 N 0.00 0.22 -2.34 0.59 6.46 -0.47 -2.93 115.31 116.85 2q3r h LEU 330 Ca -0.02 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2q3r h LEU 330 Cb 1.65 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.52 2q3r h LEU 330 CO 0.11 0.25 0.00 0.00 -0.62 0.00 0.00 178.44 178.17 2q3r n ALA 331 N -2.19 3.03 -3.17 1.25 0.00 -1.11 -4.66 120.51 113.66 2q3r n ALA 331 Ca -0.04 -1.10 -0.08 0.00 0.00 0.00 0.00 53.44 52.22 2q3r n ALA 331 Cb 0.07 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.71 -0.44 0.44 0.00 0.01 -0.94 -4.33 114.94 108.97 2q3r s ASN 332 Ca 0.35 -1.45 0.24 0.00 -0.71 0.00 0.00 52.86 51.29 2q3r s ASN 332 Cb 0.23 1.32 1.24 0.00 0.41 0.00 0.00 41.25 44.45 2q3r s ASN 332 CO 0.15 -0.17 1.79 1.55 -1.51 0.00 0.00 177.10 178.91 2q3r h PRO 333 N 6.44 0.26 -2.33 -0.60 0.13 -1.83 -2.46 132.00 131.60 2q3r h PRO 333 Ca 0.07 -0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 64.43 2q3r h PRO 333 Cb 1.10 -0.06 -0.31 0.00 0.13 0.00 0.00 31.00 31.87 2q3r h PRO 333 CO 0.13 0.17 0.63 -0.40 -0.23 0.00 0.00 178.00 178.30 2q3r n ASP 334 N -4.49 6.59 -0.04 1.44 3.85 -1.26 -4.13 116.55 118.50 2q3r n ASP 334 Ca 0.25 -3.65 -0.14 0.00 -0.71 0.00 0.00 54.79 50.53 2q3r n ASP 334 Cb 0.97 -1.05 -0.12 0.00 -1.35 0.00 0.00 41.12 39.58 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 4.10 0.13 -1.16 -2.12 5.85 -1.78 -2.97 115.31 117.35 2q3r h LEU 335 Ca 0.41 -0.79 0.26 0.00 0.84 0.00 0.00 57.88 58.61 2q3r h LEU 335 Cb 0.40 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.28 2q3r h LEU 335 CO 1.12 0.90 0.63 -0.65 -0.34 0.00 0.00 178.44 180.10 2q3r h PRO 336 N -0.63 0.47 0.11 5.25 0.11 -1.89 0.76 132.00 136.18 2q3r h PRO 336 Ca -0.02 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.81 2q3r h PRO 336 Cb 0.92 -0.10 0.03 0.00 0.11 0.00 0.00 31.00 31.95 2q3r h PRO 336 CO 0.03 0.31 -1.07 -0.22 -0.21 0.00 0.00 178.00 176.84 2q3r h LYS 337 N 0.48 0.52 0.00 1.05 1.63 -1.97 -2.55 116.57 115.73 2q3r h LYS 337 Ca 0.63 -0.72 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2q3r h LYS 337 Cb 1.40 0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 33.27 2q3r h LYS 337 CO -0.41 1.31 -0.03 0.00 -3.45 0.00 0.00 179.45 176.88 2q3r h ARG 338 N 0.07 0.00 0.02 1.90 3.08 -0.96 0.25 114.38 118.74 2q3r h ARG 338 Ca -0.17 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.66 2q3r h ARG 338 Cb 1.78 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.81 2q3r h ARG 338 CO 0.20 0.03 -1.04 0.74 -1.07 0.00 0.00 179.97 178.84 2q3r h PHE 339 N 0.00 0.10 0.00 3.04 0.04 -0.88 1.21 116.94 120.45 2q3r h PHE 339 Ca -0.00 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2q3r h PHE 339 Cb 0.06 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2q3r h PHE 339 CO 0.00 1.05 -0.29 0.37 -0.60 0.00 0.00 178.31 178.84 2q3r h GLN 340 N 0.02 0.00 0.00 1.51 4.15 -0.66 -3.30 115.11 116.83 2q3r h GLN 340 Ca -0.03 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.15 2q3r h GLN 340 Cb 1.79 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.44 2q3r h GLN 340 CO 0.14 0.29 -2.11 0.28 -1.93 0.00 0.00 178.83 175.50 2q3r n VAL 341 N -3.18 0.90 -2.65 2.39 0.31 0.71 -4.96 118.33 111.84 2q3r n VAL 341 Ca 0.03 -0.66 -0.08 0.00 -0.01 0.00 0.00 64.34 63.61 2q3r n VAL 341 Cb 0.64 -0.39 0.04 0.00 -0.91 0.00 0.00 33.84 33.23 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 -2.52 -2.40 -4.92 4.52 2.03 0.41 -5.05 116.55 108.61 2q3r n ASP 342 Ca -0.22 -0.32 -0.26 0.00 0.52 0.00 0.00 54.79 54.51 2q3r n ASP 342 Cb 0.92 -2.81 -0.02 0.00 -0.72 0.00 0.00 41.12 38.50 2q3r n ASP 342 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2q3r s ALA 343 N -3.18 3.67 0.26 -1.67 0.00 -0.49 -5.03 121.76 115.31 2q3r s ALA 343 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 2q3r s ALA 343 Cb -0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 23.12 20.81 2q3r s ALA 343 CO 0.36 0.10 1.49 -1.25 0.00 0.00 0.00 175.76 176.47 2q3r s PRO 344 N -3.96 4.22 0.19 0.00 0.04 -1.26 -4.88 135.00 129.35 2q3r s PRO 344 Ca 0.42 2.39 -0.14 0.00 0.04 0.00 0.00 61.00 63.71 2q3r s PRO 344 Cb -0.10 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 2q3r s PRO 344 CO 0.34 -0.49 0.59 -0.51 0.04 0.00 0.00 177.00 176.96 2q3r s LEU 345 N -0.35 4.27 0.52 -3.56 1.43 -1.26 -5.06 118.68 114.67 2q3r s LEU 345 Ca 0.61 1.10 -0.21 0.00 -1.03 0.00 0.00 54.13 54.60 2q3r s LEU 345 Cb -0.44 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.24 2q3r s LEU 345 CO 0.44 0.02 1.17 0.20 0.23 0.00 0.00 176.35 178.42 2q3r s ASN 346 N -1.91 5.77 0.47 2.29 0.01 -1.26 -5.00 114.94 115.31 2q3r s ASN 346 Ca 0.42 2.30 -0.20 0.00 -0.71 0.00 0.00 52.86 54.68 2q3r s ASN 346 Cb -0.14 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 38.83 2q3r s ASN 346 CO 0.20 -1.19 1.00 -0.54 -1.51 0.00 0.00 177.10 175.05 2q3r s LYS 347 N -3.04 3.96 -0.10 -0.60 1.02 -1.26 -4.84 119.74 114.89 2q3r s LYS 347 Ca 0.70 1.22 -0.14 0.00 0.02 0.00 0.00 55.97 57.77 2q3r s LYS 347 Cb -0.28 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.85 2q3r s LYS 347 CO 0.32 -0.27 0.34 1.52 -0.92 0.00 0.00 175.35 176.34 2q3r s TYR 348 N -2.14 3.57 -0.78 3.18 -0.85 -1.26 -4.89 117.35 114.17 2q3r s TYR 348 Ca 0.64 0.75 -0.16 0.00 -0.52 0.00 0.00 57.07 57.78 2q3r s TYR 348 Cb -0.13 -2.31 0.17 0.00 0.38 0.00 0.00 41.96 40.07 2q3r s TYR 348 CO 0.19 0.41 0.82 0.34 -1.52 0.00 0.00 175.55 175.79 2q3r s ASP 349 N -0.17 6.57 0.23 -0.18 2.15 -1.26 -4.94 116.67 119.07 2q3r s ASP 349 Ca 0.20 -2.21 -0.06 0.00 0.43 0.00 0.00 52.55 50.90 2q3r s ASP 349 Cb -0.14 -2.27 0.40 0.00 -0.30 0.00 0.00 42.92 40.60 2q3r s ASP 349 CO 0.08 -0.82 1.71 0.03 -0.17 0.00 0.00 175.17 176.00 2q3r h ARG 350 N 8.40 0.34 0.00 4.34 3.08 -2.01 -1.10 114.38 127.44 2q3r h ARG 350 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2q3r h ARG 350 Cb 1.05 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2q3r h ARG 350 CO 0.93 0.23 0.22 -2.30 -1.07 0.00 0.00 179.97 177.97 2q3r n PRO 351 N -5.07 0.08 -0.03 0.04 -0.02 -1.26 -1.53 135.00 127.20 2q3r n PRO 351 Ca 0.12 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.15 2q3r n PRO 351 Cb 0.39 -1.97 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 2q3r n PRO 351 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2q3r n THR 352 N -1.93 0.85 0.00 3.45 -2.24 -0.42 -4.56 114.28 109.43 2q3r n THR 352 Ca -0.01 -0.92 -0.12 0.00 -2.27 0.00 0.00 64.05 60.72 2q3r n THR 352 Cb 0.24 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.45 0.05 -0.57 4.78 0.04 -1.25 -3.31 116.94 117.15 2q3r h PHE 353 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2q3r h PHE 353 Cb 0.48 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2q3r h PHE 353 CO 0.04 0.28 0.00 0.66 -0.60 0.00 0.00 178.31 178.69 2q3r n TYR 354 N -4.94 0.75 -1.60 -0.55 4.01 -1.26 -4.65 117.16 108.92 2q3r n TYR 354 Ca -0.07 -0.37 -0.29 0.00 -0.16 0.00 0.00 57.90 57.01 2q3r n TYR 354 Cb 0.15 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.25 2.16 -0.88 -0.72 -4.23 -1.25 -4.80 115.64 104.67 2q3r s THR 355 Ca 0.43 0.05 0.15 0.00 -1.18 0.00 0.00 61.69 61.14 2q3r s THR 355 Cb 0.23 -2.84 0.52 0.00 1.34 0.00 0.00 72.50 71.75 2q3r s THR 355 CO 0.31 -0.07 1.44 -1.54 -0.54 0.00 0.00 174.62 174.22 2q3r n SER 356 N -3.64 3.86 -4.76 3.99 3.41 -1.26 -4.73 113.62 110.47 2q3r n SER 356 Ca 0.07 -2.40 -0.41 0.00 -0.26 0.00 0.00 58.87 55.87 2q3r n SER 356 Cb 0.59 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.19 6.98 0.48 4.04 2.15 -1.26 -4.91 116.67 122.95 2q3r s ASP 357 Ca 0.39 2.52 0.18 0.00 0.43 0.00 0.00 52.55 56.07 2q3r s ASP 357 Cb 0.25 -2.64 1.17 0.00 -0.30 0.00 0.00 42.92 41.40 2q3r s ASP 357 CO 0.18 -0.37 2.04 -0.65 -0.17 0.00 0.00 175.17 176.20 2q3r h PRO 358 N 3.56 0.00 0.00 4.34 0.11 -1.95 -3.38 132.00 134.68 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 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2q3r h PRO 358 CO 0.66 0.14 -1.13 0.28 -0.21 0.00 0.00 178.00 177.74 2q3r n VAL 359 N -4.19 0.17 -1.69 3.15 0.31 -1.26 -4.50 118.33 110.32 2q3r n VAL 359 Ca -0.02 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 2q3r n VAL 359 Cb 0.22 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 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 -3.13 0.38 -1.11 2.52 0.31 -1.26 -0.86 118.33 115.18 2q3r n VAL 360 Ca -0.05 -0.07 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 2q3r n VAL 360 Cb 0.53 -2.12 -0.02 0.00 -0.91 0.00 0.00 33.84 31.32 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 4.24 0.53 0.48 2.92 0.00 -1.26 -4.66 105.19 107.45 2q3r n GLY 361 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.43 0.00 0.80 1.61 9.36 -0.04 -4.68 117.16 121.77 2q3r n TYR 362 Ca -0.04 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.29 2q3r n TYR 362 Cb 0.36 0.02 0.11 0.00 -0.63 0.00 0.00 39.34 39.20 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 -1.65 0.09 -0.03 2.97 -2.24 -0.53 -4.48 114.28 108.40 2q3r n THR 363 Ca 0.00 -0.55 0.03 0.00 -2.27 0.00 0.00 64.05 61.27 2q3r n THR 363 Cb 0.00 1.37 0.22 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.26 3.58 -4.68 3.42 3.85 -1.12 -4.84 116.55 118.01 2q3r n ASP 364 Ca 0.14 -2.52 -0.40 0.00 -0.71 0.00 0.00 54.79 51.30 2q3r n ASP 364 Cb 0.55 -0.60 -0.05 0.00 -1.35 0.00 0.00 41.12 39.67 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 -1.95 3.46 0.34 2.11 2.02 -1.26 -4.92 117.35 117.15 2q3r s TYR 365 Ca 0.30 1.15 -0.26 0.00 -0.37 0.00 0.00 57.07 57.89 2q3r s TYR 365 Cb 0.23 -2.88 -0.10 0.00 -0.40 0.00 0.00 41.96 38.81 2q3r s TYR 365 CO 0.09 -0.11 0.98 -1.25 -1.57 0.00 0.00 175.55 173.69 2q3r s PRO 366 N 1.63 4.46 0.81 -1.71 0.04 -1.26 -4.66 135.00 134.31 2q3r s PRO 366 Ca 0.35 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 2q3r s PRO 366 Cb -0.17 -2.74 0.10 0.00 0.04 0.00 0.00 34.50 31.73 2q3r s PRO 366 CO 0.14 0.15 1.16 -0.06 0.04 0.00 0.00 177.00 178.43 2q3r s PHE 367 N -1.61 2.63 0.67 0.56 0.40 -1.26 -4.66 117.98 114.71 2q3r s PHE 367 Ca 0.52 0.55 -0.17 0.00 -0.60 0.00 0.00 56.93 57.24 2q3r s PHE 367 Cb -0.20 -3.53 0.01 0.00 0.51 0.00 0.00 43.02 39.80 2q3r s PHE 367 CO 0.26 -1.86 1.21 -0.51 0.70 0.00 0.00 175.22 175.02 2q3r s LEU 368 N -5.54 3.47 0.00 -0.37 1.43 -1.26 -5.09 118.68 111.31 2q3r s LEU 368 Ca 0.64 2.37 0.02 0.00 -1.03 0.00 0.00 54.13 56.14 2q3r s LEU 368 Cb -0.09 -4.59 0.15 0.00 0.03 0.00 0.00 46.19 41.68 2q3r s LEU 368 CO 0.49 -1.96 0.63 -0.62 0.23 0.00 0.00 176.35 175.12