#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 4.09 0.26 0.44 1.01 -1.26 -4.93 120.40 120.01 2q3r s VAL 10 Ca 0.00 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 2q3r s VAL 10 Cb 0.00 -4.37 0.32 0.00 0.00 0.00 0.00 36.38 32.33 2q3r s VAL 10 CO 0.00 -0.81 1.62 -0.65 0.00 0.00 0.00 175.10 175.25 2q3r h PRO 11 N 9.78 0.08 0.00 2.72 0.11 -1.96 0.25 132.00 142.98 2q3r h PRO 11 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2q3r h PRO 11 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2q3r h PRO 11 CO 1.09 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 180.22 2q3r n LEU 12 N -5.39 0.00 0.00 2.35 4.77 -1.26 -1.51 117.00 115.96 2q3r n LEU 12 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2q3r n LEU 12 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2q3r n LEU 12 CO 0.01 0.00 0.20 0.18 -1.33 0.00 0.00 177.39 176.45 2q3r n LEU 13 N -0.85 0.78 -4.79 2.23 7.99 0.89 0.45 117.00 123.70 2q3r n LEU 13 Ca 0.05 -0.83 -0.32 0.00 -0.01 0.00 0.00 56.01 54.89 2q3r n LEU 13 Cb 0.02 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.38 2q3r n LEU 13 CO 0.04 0.20 0.72 0.42 -1.51 0.00 0.00 177.39 177.25 2q3r s THR 14 N -0.10 3.57 0.93 -5.08 -4.23 -0.57 -4.38 115.64 105.78 2q3r s THR 14 Ca 0.00 0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 61.05 2q3r s THR 14 Cb 0.00 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.79 2q3r s THR 14 CO 0.00 -0.54 1.11 -2.84 -0.54 0.00 0.00 174.62 171.81 2q3r s PRO 15 N -4.44 0.93 -0.30 3.99 0.02 -1.26 -4.03 135.00 129.92 2q3r s PRO 15 Ca 0.63 1.30 -0.07 0.00 0.02 0.00 0.00 61.00 62.88 2q3r s PRO 15 Cb -0.17 -1.73 0.18 0.00 0.02 0.00 0.00 34.50 32.80 2q3r s PRO 15 CO 0.46 -2.61 0.88 -0.47 -0.33 0.00 0.00 177.00 174.92 2q3r s TYR 16 N -2.69 -0.97 -0.97 6.54 5.04 -1.16 -4.95 117.35 118.19 2q3r s TYR 16 Ca 0.66 0.85 -0.17 0.00 -2.44 0.00 0.00 57.07 55.97 2q3r s TYR 16 Cb -0.22 0.27 0.15 0.00 0.35 0.00 0.00 41.96 42.51 2q3r s TYR 16 CO 0.59 -0.54 1.14 0.21 -1.34 0.00 0.00 175.55 175.60 2q3r s LYS 17 N 2.91 3.68 -0.97 4.97 2.20 -1.26 -1.85 119.74 129.43 2q3r s LYS 17 Ca 0.12 -1.97 -0.24 0.00 -0.36 0.00 0.00 55.97 53.52 2q3r s LYS 17 Cb -0.10 -4.89 -0.15 0.00 -1.51 0.00 0.00 37.83 31.18 2q3r s LYS 17 CO -0.18 -1.72 1.93 -0.12 -0.36 0.00 0.00 175.35 174.89 2q3r n MET 18 N 6.13 1.26 0.00 4.03 0.00 -0.56 -4.68 117.12 123.29 2q3r n MET 18 Ca 0.25 -2.09 0.00 0.00 -0.00 0.00 0.00 57.70 55.86 2q3r n MET 18 Cb 0.48 -3.45 0.00 0.00 0.00 0.00 0.00 33.22 30.25 2q3r n MET 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2q3r n GLY 19 N 5.43 1.39 0.03 -5.12 0.00 -1.26 -3.58 105.19 102.08 2q3r n GLY 19 Ca 0.46 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 10.07 0.07 -3.60 1.61 3.00 -1.26 -4.74 116.66 121.80 2q3r n ARG 20 Ca 0.00 0.05 -0.38 0.00 -0.00 0.00 0.00 57.85 57.52 2q3r n ARG 20 Cb 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 32.46 30.78 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 -3.03 3.21 -0.56 -0.14 0.40 -1.23 -5.05 117.98 111.58 2q3r s PHE 21 Ca 0.13 0.08 -0.19 0.00 -0.60 0.00 0.00 56.93 56.35 2q3r s PHE 21 Cb 0.17 -2.37 0.09 0.00 0.51 0.00 0.00 43.02 41.42 2q3r s PHE 21 CO 0.57 -0.17 0.65 0.54 0.70 0.00 0.00 175.22 177.51 2q3r s ASN 22 N 1.75 6.19 0.49 1.36 4.22 -1.26 -1.50 114.94 126.19 2q3r s ASN 22 Ca 0.07 -1.29 -0.19 0.00 -2.14 0.00 0.00 52.86 49.31 2q3r s ASN 22 Cb -0.16 -2.29 -0.08 0.00 1.28 0.00 0.00 41.25 40.00 2q3r s ASN 22 CO 0.11 -1.01 1.00 -0.76 -2.04 0.00 0.00 177.10 174.39 2q3r s LEU 23 N 2.55 3.75 0.09 3.54 1.43 -0.77 -4.75 118.68 124.53 2q3r s LEU 23 Ca 0.12 1.72 0.23 0.00 -1.03 0.00 0.00 54.13 55.17 2q3r s LEU 23 Cb -0.23 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.46 2q3r s LEU 23 CO 0.08 -0.65 0.98 -1.20 0.23 0.00 0.00 176.35 175.79 2q3r n SER 24 N -1.23 0.61 -3.24 2.29 7.64 -0.73 -2.99 113.62 115.98 2q3r n SER 24 Ca 0.08 0.03 -0.07 0.00 1.01 0.00 0.00 58.87 59.91 2q3r n SER 24 Cb 0.53 0.80 0.01 0.00 -1.01 0.00 0.00 64.21 64.54 2q3r n SER 24 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2q3r s HIS 25 N -3.30 0.03 -0.84 1.43 0.00 -1.26 -4.36 115.29 107.00 2q3r s HIS 25 Ca 0.01 -0.60 0.23 0.00 -3.00 0.00 0.00 55.06 51.70 2q3r s HIS 25 Cb 0.13 0.78 0.18 0.00 -4.00 0.00 0.00 32.58 29.66 2q3r s HIS 25 CO 0.81 -1.36 1.16 0.54 -1.00 0.00 0.00 174.74 174.88 2q3r n ARG 26 N -0.54 0.12 -2.29 -0.38 5.12 0.17 -4.81 116.66 114.05 2q3r n ARG 26 Ca -0.07 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.48 2q3r n ARG 26 Cb 0.60 -1.54 -0.03 0.00 -1.16 0.00 0.00 32.46 30.32 2q3r n ARG 26 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2q3r s VAL 27 N -3.08 3.58 0.35 1.55 1.01 -1.20 -3.55 120.40 119.06 2q3r s VAL 27 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 2q3r s VAL 27 Cb 0.16 -4.45 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 2q3r s VAL 27 CO 0.77 -1.39 0.86 -0.69 0.00 0.00 0.00 175.10 174.65 2q3r s VAL 28 N 7.51 4.45 -0.58 2.92 1.01 -1.15 -4.52 120.40 130.04 2q3r s VAL 28 Ca 0.54 1.39 -0.20 0.00 0.00 0.00 0.00 61.98 63.71 2q3r s VAL 28 Cb -0.08 -3.72 0.08 0.00 0.00 0.00 0.00 36.38 32.66 2q3r s VAL 28 CO 0.10 -0.12 0.77 -0.22 0.00 0.00 0.00 175.10 175.63 2q3r s LEU 29 N -2.73 4.94 0.98 3.92 2.96 0.73 -3.57 118.68 125.90 2q3r s LEU 29 Ca 0.55 -1.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 2q3r s LEU 29 Cb -0.12 -2.41 0.18 0.00 0.50 0.00 0.00 46.19 44.34 2q3r s LEU 29 CO 0.17 -1.15 1.11 0.00 -1.32 0.00 0.00 176.35 175.16 2q3r s ALA 30 N 3.11 0.93 0.08 5.97 0.00 -1.22 0.25 121.76 130.88 2q3r s ALA 30 Ca 0.16 0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.25 2q3r s ALA 30 Cb -0.20 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 2q3r s ALA 30 CO 0.10 -3.05 0.72 -1.25 0.00 0.00 0.00 175.76 172.28 2q3r s PRO 31 N -4.61 4.46 -0.17 0.00 0.04 -1.23 -4.31 135.00 129.18 2q3r s PRO 31 Ca 0.67 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 2q3r s PRO 31 Cb -0.23 -3.31 0.08 0.00 0.04 0.00 0.00 34.50 31.08 2q3r s PRO 31 CO 0.60 0.43 0.34 -0.51 0.04 0.00 0.00 177.00 177.90 2q3r s LEU 32 N -0.57 -0.47 0.16 -3.56 1.43 -1.26 -4.85 118.68 109.56 2q3r s LEU 32 Ca 0.35 0.75 -0.32 0.00 -1.03 0.00 0.00 54.13 53.89 2q3r s LEU 32 Cb -0.21 1.02 -0.10 0.00 0.03 0.00 0.00 46.19 46.93 2q3r s LEU 32 CO 0.23 -0.24 1.63 -0.89 0.23 0.00 0.00 176.35 177.30 2q3r s THR 33 N 2.52 2.54 0.00 5.49 2.01 -1.26 -4.27 115.64 122.67 2q3r s THR 33 Ca 0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2q3r s THR 33 Cb -0.12 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.17 2q3r s THR 33 CO -0.11 0.02 0.00 0.54 -0.69 0.00 0.00 174.62 174.38 2q3r n ARG 34 N 4.26 3.61 -3.56 4.92 5.12 -1.26 -4.68 116.66 125.07 2q3r n ARG 34 Ca 0.15 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.82 2q3r n ARG 34 Cb 0.38 -0.50 0.05 0.00 -1.16 0.00 0.00 32.46 31.23 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 -0.75 -2.16 -1.18 5.56 6.02 -1.26 -3.67 117.38 119.93 2q3r n GLN 35 Ca 0.00 0.60 0.02 0.00 -0.01 0.00 0.00 57.00 57.61 2q3r n GLN 35 Cb 0.00 -4.80 0.01 0.00 1.02 0.00 0.00 30.24 26.46 2q3r n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2q3r n ARG 36 N -3.92 0.00 -3.34 -1.09 1.74 -1.14 -3.75 116.66 105.16 2q3r n ARG 36 Ca -0.12 -1.62 -0.45 0.00 -0.77 0.00 0.00 57.85 54.89 2q3r n ARG 36 Cb 0.62 -0.09 -0.00 0.00 -1.02 0.00 0.00 32.46 31.97 2q3r n ARG 36 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2q3r s SER 37 N -1.62 7.32 -0.35 0.55 0.15 0.02 -4.57 113.70 115.19 2q3r s SER 37 Ca 0.22 -3.61 -0.40 0.00 0.70 0.00 0.00 55.95 52.86 2q3r s SER 37 Cb 0.25 -2.21 -0.15 0.00 -1.71 0.00 0.00 66.02 62.21 2q3r s SER 37 CO -0.11 -0.28 1.94 -1.22 1.20 0.00 0.00 173.24 174.77 2q3r n TYR 38 N 2.68 1.75 -1.95 3.44 0.53 -1.14 -0.73 117.16 121.74 2q3r n TYR 38 Ca 0.24 0.53 -0.20 0.00 -1.02 0.00 0.00 57.90 57.45 2q3r n TYR 38 Cb 0.39 -2.44 -0.05 0.00 -1.03 0.00 0.00 39.34 36.21 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 5.48 0.84 2.02 2.72 0.00 -1.26 -0.49 105.19 114.50 2q3r n GLY 39 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.61 -2.85 -4.60 1.61 5.03 0.09 -5.01 115.26 107.92 2q3r n ASN 40 Ca -0.22 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.87 2q3r n ASN 40 Cb 0.67 -0.48 -0.10 0.00 -1.02 0.00 0.00 39.78 38.85 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 -2.08 4.99 0.64 2.41 1.01 0.35 -2.72 120.40 125.01 2q3r s VAL 41 Ca 0.00 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 2q3r s VAL 41 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2q3r s VAL 41 CO 0.00 0.36 1.21 -2.65 0.00 0.00 0.00 175.10 174.02 2q3r n PRO 42 N 4.31 1.05 -4.41 2.72 -0.02 -1.26 -2.88 135.00 134.51 2q3r n PRO 42 Ca -0.16 0.41 -0.25 0.00 -2.02 0.00 0.00 63.50 61.49 2q3r n PRO 42 Cb 0.52 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 2q3r n PRO 42 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2q3r s GLN 43 N -3.23 1.48 0.63 -0.52 -1.52 -1.26 -4.76 119.66 110.47 2q3r s GLN 43 Ca 0.81 -1.54 0.31 0.00 -1.95 0.00 0.00 55.36 52.99 2q3r s GLN 43 Cb -0.39 -1.70 1.66 0.00 -0.22 0.00 0.00 33.01 32.37 2q3r s GLN 43 CO 0.42 0.35 2.00 -1.35 -0.25 0.00 0.00 175.29 176.46 2q3r h PRO 44 N 3.05 0.00 0.00 2.91 0.11 -1.95 0.27 132.00 136.39 2q3r h PRO 44 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2q3r h PRO 44 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2q3r h PRO 44 CO 0.51 0.00 -0.13 1.12 -0.21 0.00 0.00 178.00 179.29 2q3r h HIS 45 N 0.00 0.00 -0.12 0.65 2.07 -1.95 -1.93 115.15 113.87 2q3r h HIS 45 Ca 0.08 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.46 2q3r h HIS 45 Cb 0.70 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.67 2q3r h HIS 45 CO 0.00 0.13 -0.53 0.00 -3.07 0.00 0.00 177.93 174.46 2q3r h ALA 46 N 1.87 0.88 -0.92 6.11 0.00 -0.79 -2.00 119.26 124.43 2q3r h ALA 46 Ca -0.00 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.46 2q3r h ALA 46 Cb 0.44 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2q3r h ALA 46 CO 0.02 0.68 0.59 0.00 0.00 0.00 0.00 179.25 180.53 2q3r h ALA 47 N 1.18 1.24 0.18 0.00 0.00 -1.42 0.21 119.26 120.66 2q3r h ALA 47 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2q3r h ALA 47 Cb 1.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2q3r h ALA 47 CO 0.09 0.40 -0.09 0.82 0.00 0.00 0.00 179.25 180.47 2q3r h ILE 48 N 1.10 0.88 -0.36 0.00 1.08 -1.51 -2.55 117.51 116.16 2q3r h ILE 48 Ca 0.38 -0.98 0.05 0.00 -0.39 0.00 0.00 64.86 63.93 2q3r h ILE 48 Cb 0.08 1.41 -0.08 0.00 -3.07 0.00 0.00 36.82 35.16 2q3r h ILE 48 CO -0.15 0.20 -0.53 0.22 -0.69 0.00 0.00 178.15 177.21 2q3r h TYR 49 N -0.78 -1.60 0.00 1.37 3.20 -0.92 0.15 116.97 118.39 2q3r h TYR 49 Ca -0.02 0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 2q3r h TYR 49 Cb 0.52 0.75 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2q3r h TYR 49 CO 0.07 -0.49 -0.37 1.88 -1.64 0.00 0.00 178.16 177.60 2q3r h TYR 50 N -0.42 0.00 -0.33 -3.82 0.05 -0.72 -3.13 116.97 108.61 2q3r h TYR 50 Ca 0.08 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.70 2q3r h TYR 50 Cb 0.61 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.35 2q3r h TYR 50 CO -0.68 0.37 -0.41 1.03 -1.05 0.00 0.00 178.16 177.42 2q3r h SER 51 N 0.00 0.94 0.31 3.88 0.87 -0.89 -2.76 113.55 115.90 2q3r h SER 51 Ca -0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2q3r h SER 51 Cb 0.79 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2q3r h SER 51 CO 0.05 1.24 0.00 0.00 -0.53 0.00 0.00 176.83 177.59 2q3r n GLN 52 N -4.10 0.01 -0.13 2.24 6.02 0.43 -1.90 117.38 119.96 2q3r n GLN 52 Ca -0.03 0.33 0.05 0.00 -0.01 0.00 0.00 57.00 57.33 2q3r n GLN 52 Cb 0.56 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 30.42 2q3r n GLN 52 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2q3r n ARG 53 N -1.48 2.63 -3.19 -1.09 1.74 -1.06 -4.52 116.66 109.69 2q3r n ARG 53 Ca 0.02 -2.05 -0.45 0.00 -0.77 0.00 0.00 57.85 54.60 2q3r n ARG 53 Cb 0.11 -1.29 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.62 5.50 0.19 0.55 2.01 -0.80 -4.94 115.64 116.53 2q3r s THR 54 Ca 0.19 -2.72 -0.24 0.00 0.31 0.00 0.00 61.69 59.23 2q3r s THR 54 Cb 0.14 -4.66 -0.08 0.00 0.01 0.00 0.00 72.50 67.90 2q3r s THR 54 CO 0.06 -1.29 0.77 0.42 -0.69 0.00 0.00 174.62 173.90 2q3r s THR 55 N 0.34 4.42 0.07 -0.82 -4.23 -1.26 -4.61 115.64 109.54 2q3r s THR 55 Ca 0.30 1.59 -0.31 0.00 -1.18 0.00 0.00 61.69 62.09 2q3r s THR 55 Cb -0.08 -4.04 -0.09 0.00 1.34 0.00 0.00 72.50 69.63 2q3r s THR 55 CO -0.07 0.41 1.77 -2.84 -0.54 0.00 0.00 174.62 173.34 2q3r s PRO 56 N -1.45 4.16 0.00 3.99 0.02 -1.23 -0.98 135.00 139.51 2q3r s PRO 56 Ca 0.39 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2q3r s PRO 56 Cb -0.21 -3.72 0.00 0.00 0.02 0.00 0.00 34.50 30.59 2q3r s PRO 56 CO 0.24 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2q3r n GLY 57 N 4.18 1.67 3.75 0.52 0.00 -0.79 -4.41 105.19 110.11 2q3r n GLY 57 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.20 3.02 -0.03 -0.02 0.00 -0.15 -1.77 107.32 106.17 2q3r s GLY 58 Ca 0.00 0.76 -0.21 0.00 0.00 0.00 0.00 44.72 45.27 2q3r s GLY 58 CO 0.00 1.45 0.62 -0.12 0.00 0.00 0.00 173.10 175.04 2q3r s PHE 59 N -0.82 3.64 -0.07 1.90 5.99 -1.26 -2.64 117.98 124.71 2q3r s PHE 59 Ca 0.45 1.19 0.05 0.00 0.00 0.00 0.00 56.93 58.61 2q3r s PHE 59 Cb -0.29 -2.66 -0.01 0.00 0.00 0.00 0.00 43.02 40.06 2q3r s PHE 59 CO 0.36 0.26 -0.22 -0.51 -0.00 0.00 0.00 175.22 175.11 2q3r s LEU 60 N 0.15 2.22 -0.13 6.12 1.02 -0.11 0.26 118.68 128.21 2q3r s LEU 60 Ca 0.32 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 54.02 2q3r s LEU 60 Cb -0.18 -1.43 -0.00 0.00 0.02 0.00 0.00 46.19 44.60 2q3r s LEU 60 CO 0.17 0.23 -0.19 -0.63 0.02 0.00 0.00 176.35 175.95 2q3r s ILE 61 N -0.04 2.44 0.76 -0.59 1.01 0.69 -2.02 121.20 123.46 2q3r s ILE 61 Ca -0.06 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 2q3r s ILE 61 Cb -0.15 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.38 2q3r s ILE 61 CO 0.05 0.54 1.08 0.42 0.00 0.00 0.00 174.94 177.03 2q3r s THR 62 N 0.54 3.39 0.91 2.92 -4.23 -1.20 -3.55 115.64 114.43 2q3r s THR 62 Ca -0.12 0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 2q3r s THR 62 Cb -0.16 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.60 2q3r s THR 62 CO 0.04 -0.59 1.02 -1.84 -0.54 0.00 0.00 174.62 172.71 2q3r n GLU 63 N -3.33 -0.38 -1.74 3.99 0.28 -1.26 -4.03 120.64 114.18 2q3r n GLU 63 Ca 0.07 -0.05 -0.41 0.00 -0.16 0.00 0.00 57.16 56.61 2q3r n GLU 63 Cb 0.55 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.14 2q3r n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2q3r n ALA 64 N -4.06 1.84 -3.44 -1.84 0.00 -1.26 -4.32 120.51 107.43 2q3r n ALA 64 Ca 0.11 0.32 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 2q3r n ALA 64 Cb 0.52 -2.34 -0.17 0.00 0.00 0.00 0.00 19.45 17.46 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 -1.14 1.43 0.41 0.00 2.01 0.15 -4.34 115.64 114.16 2q3r s THR 65 Ca 0.57 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.66 2q3r s THR 65 Cb -0.50 -1.28 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 2q3r s THR 65 CO 0.61 0.42 1.39 -0.83 -0.69 0.00 0.00 174.62 175.52 2q3r s GLY 66 N 0.65 2.94 0.01 4.40 0.00 0.28 0.11 107.32 115.70 2q3r s GLY 66 Ca -0.14 1.39 0.24 0.00 0.00 0.00 0.00 44.72 46.21 2q3r s GLY 66 CO 0.04 2.02 1.32 3.33 0.00 0.00 0.00 173.10 179.81 2q3r n VAL 67 N 0.17 0.02 -3.63 1.40 0.24 -1.06 -1.19 118.33 114.27 2q3r n VAL 67 Ca 0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2q3r n VAL 67 Cb 0.42 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 2q3r n VAL 67 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2q3r n SER 68 N -1.55 0.00 0.00 -1.34 7.64 -1.26 -4.58 113.62 112.53 2q3r n SER 68 Ca 0.05 -0.96 0.11 0.00 1.01 0.00 0.00 58.87 59.08 2q3r n SER 68 Cb 0.34 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.03 2q3r n SER 68 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2q3r n ASP 69 N -0.32 0.00 -0.15 6.43 5.75 -1.26 -3.60 116.55 123.40 2q3r n ASP 69 Ca 0.00 0.48 0.02 0.00 -0.01 0.00 0.00 54.79 55.29 2q3r n ASP 69 Cb 0.00 -0.49 0.01 0.00 -1.03 0.00 0.00 41.12 39.61 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 -1.49 0.00 1.83 2.12 -2.24 -1.26 -4.52 114.28 108.72 2q3r n THR 70 Ca 0.06 -0.48 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 2q3r n THR 70 Cb 0.26 1.08 0.76 0.00 -2.10 0.00 0.00 70.33 70.33 2q3r n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q3r n ALA 71 N -0.00 2.57 -2.61 6.98 0.00 -1.24 -4.76 120.51 121.45 2q3r n ALA 71 Ca 0.02 -0.16 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 2q3r n ALA 71 Cb 0.11 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 2q3r n ALA 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2q3r s GLN 72 N -2.00 3.73 -0.00 0.00 1.11 -1.26 0.33 119.66 121.57 2q3r s GLN 72 Ca 0.38 0.14 0.00 0.00 0.01 0.00 0.00 55.36 55.89 2q3r s GLN 72 Cb 0.18 -3.03 0.00 0.00 -1.01 0.00 0.00 33.01 29.14 2q3r s GLN 72 CO 0.29 0.59 0.75 0.41 0.01 0.00 0.00 175.29 177.35 2q3r n GLY 73 N 1.04 -1.24 3.27 3.09 0.00 -1.26 -4.64 105.19 105.45 2q3r n GLY 73 Ca -0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2q3r n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q3r s TYR 74 N -0.00 -0.00 0.72 1.61 2.02 -1.26 -4.54 117.35 115.90 2q3r s TYR 74 Ca 0.00 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 2q3r s TYR 74 Cb 0.00 0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.68 2q3r s TYR 74 CO 0.00 -0.63 1.07 -0.65 -1.57 0.00 0.00 175.55 173.77 2q3r s GLN 75 N -3.84 2.73 -0.26 -0.62 -0.21 -1.26 -4.40 119.66 111.80 2q3r s GLN 75 Ca 0.05 0.94 -0.04 0.00 0.02 0.00 0.00 55.36 56.33 2q3r s GLN 75 Cb 0.03 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 32.08 2q3r s GLN 75 CO -0.11 -1.25 0.16 -0.25 -2.12 0.00 0.00 175.29 171.73 2q3r n ASP 76 N -3.23 -1.13 -4.38 5.90 8.00 -1.26 -4.76 116.55 115.69 2q3r n ASP 76 Ca 0.08 -0.29 -0.31 0.00 0.71 0.00 0.00 54.79 54.98 2q3r n ASP 76 Cb 0.54 -0.40 -0.14 0.00 -0.02 0.00 0.00 41.12 41.09 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 -3.35 2.36 0.68 -3.53 -4.23 -1.23 -0.80 115.64 105.54 2q3r s THR 77 Ca 0.06 -1.24 -0.14 0.00 -1.18 0.00 0.00 61.69 59.19 2q3r s THR 77 Cb -0.03 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.89 2q3r s THR 77 CO 0.24 0.41 1.10 -2.16 -0.54 0.00 0.00 174.62 173.67 2q3r s PRO 78 N -1.15 2.71 0.32 3.99 0.04 -1.26 -4.05 135.00 135.60 2q3r s PRO 78 Ca 0.12 1.32 0.09 0.00 0.04 0.00 0.00 61.00 62.57 2q3r s PRO 78 Cb -0.10 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2q3r s PRO 78 CO 0.02 -1.31 -0.09 0.20 0.04 0.00 0.00 177.00 175.86 2q3r s GLY 79 N -2.80 2.04 -0.30 0.56 0.00 -1.10 0.10 107.32 105.82 2q3r s GLY 79 Ca 0.65 -2.01 0.19 0.00 0.00 0.00 0.00 44.72 43.55 2q3r s GLY 79 CO 0.45 -1.96 1.18 4.51 0.00 0.00 0.00 173.10 177.27 2q3r n ILE 80 N -0.71 0.85 0.28 0.90 0.13 -0.33 -4.74 119.36 115.74 2q3r n ILE 80 Ca -0.05 -2.46 0.03 0.00 -1.10 0.00 0.00 62.75 59.17 2q3r n ILE 80 Cb 0.63 1.07 -0.04 0.00 -0.84 0.00 0.00 39.64 40.47 2q3r n ILE 80 CO 0.00 0.00 0.00 -2.67 2.80 0.00 0.00 176.55 176.68 2q3r n TRP 81 N -0.65 0.00 -4.35 9.51 2.14 -1.26 -4.37 117.44 118.46 2q3r n TRP 81 Ca 0.02 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.35 2q3r n TRP 81 Cb 0.82 -0.02 -0.08 0.00 -0.81 0.00 0.00 31.31 31.22 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 -1.76 2.96 0.31 -1.67 -4.23 -1.26 -5.00 115.64 104.99 2q3r s THR 82 Ca 0.02 -2.05 0.13 0.00 -1.18 0.00 0.00 61.69 58.61 2q3r s THR 82 Cb 0.05 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 71.25 2q3r s THR 82 CO 0.28 -0.33 1.74 0.11 -0.54 0.00 0.00 174.62 175.88 2q3r h LYS 83 N 1.95 0.00 0.28 3.99 1.57 -2.00 -3.17 116.57 119.19 2q3r h LYS 83 Ca -0.43 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2q3r h LYS 83 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2q3r h LYS 83 CO 0.62 0.46 -0.20 1.49 -0.57 0.00 0.00 179.45 181.25 2q3r h GLU 84 N 0.00 -0.44 -0.98 3.15 4.81 -2.01 -2.77 114.58 116.35 2q3r h GLU 84 Ca -0.00 0.03 0.33 0.00 -0.13 0.00 0.00 59.36 59.59 2q3r h GLU 84 Cb 0.85 0.10 -0.17 0.00 0.63 0.00 0.00 28.75 30.15 2q3r h GLU 84 CO 0.06 -0.29 0.32 0.45 -0.73 0.00 0.00 179.01 178.82 2q3r h HIS 85 N -0.45 0.46 -0.85 0.92 3.86 -1.88 0.76 115.15 117.96 2q3r h HIS 85 Ca -0.04 0.05 0.20 0.00 -1.16 0.00 0.00 60.37 59.43 2q3r h HIS 85 Cb 0.37 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 2q3r h HIS 85 CO -0.03 -0.40 0.58 0.28 0.86 0.00 0.00 177.93 179.21 2q3r h VAL 86 N 0.06 0.68 0.08 2.45 2.07 -1.46 -2.04 116.25 118.09 2q3r h VAL 86 Ca 0.71 -0.11 -0.27 0.00 0.82 0.00 0.00 66.70 67.85 2q3r h VAL 86 Cb 1.68 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2q3r h VAL 86 CO -0.80 0.06 -1.30 -0.33 0.02 0.00 0.00 177.57 175.23 2q3r h GLU 87 N 0.33 0.17 -0.04 1.57 4.39 0.60 -3.10 114.58 118.49 2q3r h GLU 87 Ca 0.43 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2q3r h GLU 87 Cb 1.19 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2q3r h GLU 87 CO -0.13 1.07 -0.02 0.00 -1.16 0.00 0.00 179.01 178.77 2q3r h ALA 88 N 0.70 0.06 0.00 3.43 0.00 -1.46 -2.64 119.26 119.35 2q3r h ALA 88 Ca -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2q3r h ALA 88 Cb 1.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2q3r h ALA 88 CO 0.16 -0.19 0.01 0.91 0.00 0.00 0.00 179.25 180.13 2q3r n TRP 89 N -4.81 0.20 0.42 0.00 7.02 -0.79 -3.46 117.44 116.01 2q3r n TRP 89 Ca -0.08 0.11 -0.16 0.00 -1.02 0.00 0.00 57.50 56.35 2q3r n TRP 89 Cb 0.25 -0.66 -0.08 0.00 -2.42 0.00 0.00 31.31 28.39 2q3r n TRP 89 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 2q3r h LYS 90 N 0.00 -1.02 0.00 -0.99 3.64 -1.38 -2.50 116.57 114.32 2q3r h LYS 90 Ca 0.00 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2q3r h LYS 90 Cb 0.01 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2q3r h LYS 90 CO 0.00 -0.68 0.00 -0.35 -2.27 0.00 0.00 179.45 176.15 2q3r n PRO 91 N -4.88 0.16 0.00 1.90 -0.04 -1.22 -1.54 135.00 129.37 2q3r n PRO 91 Ca -0.13 0.50 -0.17 0.00 -0.04 0.00 0.00 63.50 63.65 2q3r n PRO 91 Cb 0.42 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 2q3r n PRO 91 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2q3r h ILE 92 N 0.00 1.39 -0.01 0.52 5.03 -1.71 -2.53 117.51 120.20 2q3r h ILE 92 Ca 0.00 -2.04 -0.00 0.00 -0.12 0.00 0.00 64.86 62.70 2q3r h ILE 92 Cb 0.21 2.47 -0.00 0.00 -3.03 0.00 0.00 36.82 36.47 2q3r h ILE 92 CO 0.00 0.60 -0.00 0.58 -0.68 0.00 0.00 178.15 178.65 2q3r h VAL 93 N 0.01 1.29 -0.13 1.67 2.07 -1.15 -2.96 116.25 117.06 2q3r h VAL 93 Ca -0.07 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.60 2q3r h VAL 93 Cb 1.32 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.92 2q3r h VAL 93 CO 0.13 0.23 -0.05 0.44 0.02 0.00 0.00 177.57 178.34 2q3r h ASP 94 N -0.34 -0.17 -0.99 0.57 3.32 -1.37 0.99 116.42 118.42 2q3r h ASP 94 Ca 0.00 0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.23 2q3r h ASP 94 Cb 0.38 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.94 2q3r h ASP 94 CO 0.00 -0.07 0.63 0.00 -1.72 0.00 0.00 179.24 178.08 2q3r h ALA 95 N 1.10 1.57 -0.02 3.45 0.00 -1.52 0.43 119.26 124.27 2q3r h ALA 95 Ca 0.07 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2q3r h ALA 95 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2q3r h ALA 95 CO -0.15 0.18 -0.60 0.28 0.00 0.00 0.00 179.25 178.96 2q3r h VAL 96 N 0.95 1.42 0.00 0.00 2.07 -1.16 -1.41 116.25 118.12 2q3r h VAL 96 Ca 0.50 -2.04 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 2q3r h VAL 96 Cb 0.54 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2q3r h VAL 96 CO -0.26 0.59 -0.09 0.45 0.02 0.00 0.00 177.57 178.27 2q3r h HIS 97 N 0.05 0.00 0.00 1.57 -0.00 0.72 -0.60 115.15 116.89 2q3r h HIS 97 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2q3r h HIS 97 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.49 2q3r h HIS 97 CO 0.01 0.09 -0.71 0.00 -0.00 0.00 0.00 177.93 177.32 2q3r n ALA 98 N -2.13 3.25 0.46 2.45 0.00 0.14 -3.88 120.51 120.80 2q3r n ALA 98 Ca 0.03 -0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.25 2q3r n ALA 98 Cb 0.52 -1.10 0.15 0.00 0.00 0.00 0.00 19.45 19.02 2q3r n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2q3r n LYS 99 N -1.90 2.13 0.00 0.00 5.02 -0.58 -5.01 118.16 117.81 2q3r n LYS 99 Ca 0.03 -1.97 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 2q3r n LYS 99 Cb 0.41 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.21 3.17 3.68 0.72 0.00 -0.94 -3.56 105.19 109.47 2q3r n GLY 100 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.76 1.67 -0.16 -0.02 0.00 -0.28 -1.88 107.32 103.89 2q3r s GLY 101 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.12 2q3r s GLY 101 CO 0.00 0.83 -0.16 -0.42 0.00 0.00 0.00 173.10 173.34 2q3r s ILE 102 N -2.71 1.76 -0.16 0.90 -1.09 -1.08 -4.52 121.20 114.29 2q3r s ILE 102 Ca 0.65 -0.75 -0.06 0.00 -2.23 0.00 0.00 60.65 58.27 2q3r s ILE 102 Cb -0.21 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 2q3r s ILE 102 CO 0.58 0.49 0.03 -0.36 -1.23 0.00 0.00 174.94 174.45 2q3r s PHE 103 N 1.39 3.18 -0.41 3.97 0.08 -1.26 -0.93 117.98 124.00 2q3r s PHE 103 Ca 0.05 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.10 2q3r s PHE 103 Cb -0.13 -2.01 0.12 0.00 -0.57 0.00 0.00 43.02 40.44 2q3r s PHE 103 CO -0.11 0.14 0.19 -0.06 -0.10 0.00 0.00 175.22 175.28 2q3r s PHE 104 N 0.19 2.24 0.07 0.36 0.40 -0.85 0.20 117.98 120.59 2q3r s PHE 104 Ca 0.02 -2.43 -0.31 0.00 -0.60 0.00 0.00 56.93 53.62 2q3r s PHE 104 Cb -0.13 -2.07 -0.10 0.00 0.51 0.00 0.00 43.02 41.24 2q3r s PHE 104 CO 0.01 -0.81 1.92 0.00 0.70 0.00 0.00 175.22 177.04 2q3r s GLN 106 N 3.77 3.33 0.04 0.00 0.74 -1.26 -1.63 119.66 124.65 2q3r s GLN 106 Ca 0.86 -0.30 -0.19 0.00 0.05 0.00 0.00 55.36 55.79 2q3r s GLN 106 Cb -0.46 -4.04 -0.06 0.00 1.10 0.00 0.00 33.01 29.55 2q3r s GLN 106 CO 0.41 -1.39 0.54 0.96 -0.55 0.00 0.00 175.29 175.25 2q3r s ILE 107 N 3.69 4.84 0.03 -2.34 -4.36 -1.17 0.33 121.20 122.22 2q3r s ILE 107 Ca 0.29 1.14 -0.04 0.00 -0.26 0.00 0.00 60.65 61.77 2q3r s ILE 107 Cb -0.13 -3.86 -0.01 0.00 1.25 0.00 0.00 42.46 39.70 2q3r s ILE 107 CO 0.19 0.53 0.06 -1.66 0.24 0.00 0.00 174.94 174.30 2q3r s TRP 108 N -0.91 0.21 -0.22 1.37 1.48 0.29 -3.44 118.94 117.73 2q3r s TRP 108 Ca 0.28 -0.48 0.02 0.00 -1.06 0.00 0.00 56.10 54.86 2q3r s TRP 108 Cb -0.19 -0.16 0.04 0.00 -1.16 0.00 0.00 33.47 32.01 2q3r s TRP 108 CO 0.17 -0.30 -0.15 -1.58 -4.06 0.00 0.00 176.95 171.04 2q3r s HIS 109 N -2.12 2.91 0.48 1.66 2.46 -1.26 -2.58 115.29 116.84 2q3r s HIS 109 Ca -0.09 -1.91 0.25 0.00 0.47 0.00 0.00 55.06 53.78 2q3r s HIS 109 Cb -0.04 -1.87 1.49 0.00 -0.13 0.00 0.00 32.58 32.02 2q3r s HIS 109 CO -0.03 -0.83 2.12 -0.39 -2.47 0.00 0.00 174.74 173.15 2q3r h VAL 110 N 6.36 0.67 0.00 0.89 -1.51 -0.44 -1.40 116.25 120.81 2q3r h VAL 110 Ca -0.32 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2q3r h VAL 110 Cb 1.09 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2q3r h VAL 110 CO 0.54 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.57 2q3r n GLY 111 N -0.99 1.48 0.00 5.19 0.00 -1.26 -2.41 105.19 107.20 2q3r n GLY 111 Ca -0.02 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.42 2q3r n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2q3r n ARG 112 N 12.81 0.45 -2.75 1.61 1.85 -0.97 -4.17 116.66 125.50 2q3r n ARG 112 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2q3r n ARG 112 Cb 0.00 -1.47 0.01 0.00 -1.05 0.00 0.00 32.46 29.95 2q3r n ARG 112 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2q3r n VAL 113 N -0.97 4.80 -3.00 8.89 0.31 -1.18 -4.87 118.33 122.31 2q3r n VAL 113 Ca 0.10 -5.17 0.00 0.00 -0.01 0.00 0.00 64.34 59.26 2q3r n VAL 113 Cb 0.05 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 30.72 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 2.79 0.00 -3.45 4.52 2.88 -1.26 -3.99 113.62 115.11 2q3r n SER 114 Ca 0.32 -0.57 -0.05 0.00 -1.33 0.00 0.00 58.87 57.24 2q3r n SER 114 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.29 -0.09 0.45 -3.46 6.03 -1.26 -3.71 114.94 113.18 2q3r s ASN 115 Ca 0.00 -0.71 0.13 0.00 -1.03 0.00 0.00 52.86 51.25 2q3r s ASN 115 Cb 0.00 0.63 1.06 0.00 -3.03 0.00 0.00 41.25 39.90 2q3r s ASN 115 CO 0.00 -1.21 2.03 -1.28 -2.03 0.00 0.00 177.10 174.61 2q3r h SER 116 N 2.00 0.30 0.15 3.54 0.87 -1.86 -0.16 113.55 118.39 2q3r h SER 116 Ca -0.26 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2q3r h SER 116 Cb 1.24 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2q3r h SER 116 CO 0.32 0.20 -0.02 1.23 -0.53 0.00 0.00 176.83 178.03 2q3r h GLY 117 N 0.34 0.00 -1.19 5.77 0.00 -1.90 -1.69 103.07 104.40 2q3r h GLY 117 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2q3r h GLY 117 CO -0.04 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.19 2q3r n PHE 118 N -3.36 0.07 -4.30 5.60 3.72 -0.12 -5.00 117.46 114.06 2q3r n PHE 118 Ca -0.02 -0.06 -0.33 0.00 -0.05 0.00 0.00 57.45 56.99 2q3r n PHE 118 Cb 0.12 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.16 2.84 0.39 -1.08 -1.52 -0.64 -4.81 119.66 113.69 2q3r s GLN 119 Ca 0.18 -0.56 -0.27 0.00 -1.95 0.00 0.00 55.36 52.76 2q3r s GLN 119 Cb 0.12 -2.70 -0.11 0.00 -0.22 0.00 0.00 33.01 30.10 2q3r s GLN 119 CO 0.18 0.64 1.44 -2.30 -0.25 0.00 0.00 175.29 175.00 2q3r n PRO 120 N 1.57 2.49 -1.40 2.91 -0.02 -1.26 -1.18 135.00 138.10 2q3r n PRO 120 Ca -0.15 0.87 -0.14 0.00 -2.02 0.00 0.00 63.50 62.06 2q3r n PRO 120 Cb 0.53 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 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 0.35 -5.58 -2.85 2.55 3.02 -1.26 -2.13 115.26 109.36 2q3r n ASN 121 Ca 0.03 0.34 -0.20 0.00 -0.03 0.00 0.00 54.58 54.71 2q3r n ASN 121 Cb 0.39 -4.28 0.01 0.00 -0.61 0.00 0.00 39.78 35.29 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 -0.05 -0.51 3.90 7.41 0.00 -0.33 -4.97 105.19 110.65 2q3r n GLY 122 Ca -0.14 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.49 3.27 0.51 1.61 1.02 -0.91 -4.75 119.74 115.00 2q3r s LYS 123 Ca 0.20 0.24 -0.23 0.00 0.02 0.00 0.00 55.97 56.20 2q3r s LYS 123 Cb -0.10 -2.26 -0.07 0.00 -0.52 0.00 0.00 37.83 34.89 2q3r s LYS 123 CO 0.24 -0.51 1.26 0.00 -0.92 0.00 0.00 175.35 175.42 2q3r n ALA 124 N -2.52 1.22 -1.04 5.17 0.00 -1.26 -4.22 120.51 117.87 2q3r n ALA 124 Ca 0.03 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 2q3r n ALA 124 Cb 0.56 -2.28 0.12 0.00 0.00 0.00 0.00 19.45 17.85 2q3r n ALA 124 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2q3r s PRO 125 N -2.60 1.69 0.17 0.00 0.02 -1.26 -4.51 135.00 128.51 2q3r s PRO 125 Ca 0.68 1.49 0.07 0.00 0.02 0.00 0.00 61.00 63.26 2q3r s PRO 125 Cb -0.45 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 2q3r s PRO 125 CO 0.52 -2.12 0.01 0.96 -0.33 0.00 0.00 177.00 176.05 2q3r s ILE 126 N -2.56 3.82 0.39 2.83 -4.36 -1.26 0.12 121.20 120.18 2q3r s ILE 126 Ca 0.67 -1.36 -0.16 0.00 -0.26 0.00 0.00 60.65 59.55 2q3r s ILE 126 Cb -0.22 -2.92 0.05 0.00 1.25 0.00 0.00 42.46 40.62 2q3r s ILE 126 CO 0.54 -0.09 0.79 -0.55 0.24 0.00 0.00 174.94 175.86 2q3r s SER 127 N -2.91 0.02 0.58 4.36 0.15 -1.02 -2.30 113.70 112.58 2q3r s SER 127 Ca 0.28 -1.15 0.36 0.00 0.70 0.00 0.00 55.95 56.13 2q3r s SER 127 Cb -0.10 0.85 1.67 0.00 -1.71 0.00 0.00 66.02 66.73 2q3r s SER 127 CO 0.19 -1.69 2.10 0.00 1.20 0.00 0.00 173.24 175.04 2q3r n SER 129 N -3.18 -1.20 -0.98 0.00 3.41 -1.26 -4.51 113.62 105.90 2q3r n SER 129 Ca -0.01 -2.47 0.11 0.00 -0.26 0.00 0.00 58.87 56.25 2q3r n SER 129 Cb 0.24 2.18 0.26 0.00 -0.26 0.00 0.00 64.21 66.62 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 -1.68 2.92 -4.61 4.04 5.68 -1.26 -4.02 116.55 117.63 2q3r n ASP 130 Ca -0.01 -1.92 -0.50 0.00 -0.50 0.00 0.00 54.79 51.87 2q3r n ASP 130 Cb 0.47 -0.22 -0.06 0.00 -1.14 0.00 0.00 41.12 40.18 2q3r n ASP 130 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2q3r n LYS 131 N 1.14 1.69 -2.05 0.11 4.81 -1.26 -4.22 118.16 118.39 2q3r n LYS 131 Ca 0.18 0.57 -0.39 0.00 -0.87 0.00 0.00 58.31 57.80 2q3r n LYS 131 Cb 0.52 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.98 2q3r n LYS 131 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2q3r s PRO 132 N 4.94 3.80 -0.17 1.64 0.04 -1.26 -4.74 135.00 139.25 2q3r s PRO 132 Ca 1.00 2.10 -0.05 0.00 0.04 0.00 0.00 61.00 64.09 2q3r s PRO 132 Cb -0.75 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2q3r s PRO 132 CO 0.51 -0.62 -0.01 -1.17 0.04 0.00 0.00 177.00 175.75 2q3r s LEU 133 N -2.72 3.40 -1.20 -3.56 2.96 -1.26 -4.68 118.68 111.63 2q3r s LEU 133 Ca 0.60 -0.08 -0.32 0.00 -0.22 0.00 0.00 54.13 54.11 2q3r s LEU 133 Cb -0.37 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.53 2q3r s LEU 133 CO 0.46 0.16 0.70 0.23 -1.32 0.00 0.00 176.35 176.59 2q3r n MET 134 N 3.60 -0.41 0.30 1.98 2.81 -1.26 -4.77 117.12 119.36 2q3r n MET 134 Ca -0.17 0.15 0.18 0.00 -1.81 0.00 0.00 57.70 56.05 2q3r n MET 134 Cb 0.52 -2.77 1.00 0.00 -0.71 0.00 0.00 33.22 31.26 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 -2.49 0.00 0.00 0.03 0.13 -1.95 -1.46 132.00 126.27 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 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2q3r h PRO 135 CO 0.51 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.72 2q3r h GLN 136 N 0.00 0.00 -5.72 0.86 -0.00 -2.00 -3.43 115.11 104.81 2q3r h GLN 136 Ca 0.02 0.00 -0.59 0.00 -0.00 0.00 0.00 58.65 58.07 2q3r h GLN 136 Cb 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 27.55 2q3r h GLN 136 CO -0.00 0.00 0.31 0.42 -0.00 0.00 0.00 178.83 179.56 2q3r s ILE 137 N -3.70 4.92 0.00 1.86 1.01 -0.55 -4.94 121.20 119.80 2q3r s ILE 137 Ca 0.01 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.05 2q3r s ILE 137 Cb 0.09 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2q3r s ILE 137 CO 0.52 0.01 0.00 -1.14 0.00 0.00 0.00 174.94 174.33 2q3r n ARG 138 N 5.58 0.00 0.00 2.79 3.00 -1.26 -4.04 116.66 122.73 2q3r n ARG 138 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 2q3r n ARG 138 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.86 2q3r n ARG 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2q3r n SER 139 N -1.67 0.00 -4.87 6.15 2.88 -1.26 -2.93 113.62 111.93 2q3r n SER 139 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2q3r n SER 139 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2q3r n SER 139 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2q3r s ASN 140 N -4.00 6.28 1.93 -3.46 3.84 -1.26 -4.94 114.94 113.33 2q3r s ASN 140 Ca 0.00 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.47 2q3r s ASN 140 Cb 0.00 -2.00 0.00 0.00 -0.55 0.00 0.00 41.25 38.70 2q3r s ASN 140 CO 0.00 0.37 0.00 0.61 -2.79 0.00 0.00 177.10 175.29 2q3r n GLY 141 N 1.70 2.24 3.84 1.21 0.00 -1.26 -4.71 105.19 108.21 2q3r n GLY 141 Ca -0.17 0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2q3r n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2q3r s ILE 142 N 0.00 2.72 0.04 -0.61 -4.36 -1.26 -4.95 121.20 112.78 2q3r s ILE 142 Ca 0.00 0.23 -0.31 0.00 -0.26 0.00 0.00 60.65 60.31 2q3r s ILE 142 Cb 0.00 -3.10 -0.10 0.00 1.25 0.00 0.00 42.46 40.51 2q3r s ILE 142 CO 0.00 -0.31 1.93 -0.90 0.24 0.00 0.00 174.94 175.90 2q3r n ASP 143 N -3.37 4.02 -3.37 4.36 5.75 -1.26 -4.67 116.55 118.01 2q3r n ASP 143 Ca 0.07 0.93 -0.27 0.00 -0.01 0.00 0.00 54.79 55.52 2q3r n ASP 143 Cb 0.58 -1.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.07 2q3r n ASP 143 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2q3r n GLU 144 N 6.92 0.23 -0.70 0.11 4.07 -1.26 -5.01 120.64 125.01 2q3r n GLU 144 Ca 0.20 -3.17 -0.29 0.00 -0.06 0.00 0.00 57.16 53.84 2q3r n GLU 144 Cb 0.38 -1.62 -0.05 0.00 -0.06 0.00 0.00 31.44 30.09 2q3r n GLU 144 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2q3r n ALA 145 N 2.69 -0.34 -0.04 4.31 0.00 -1.26 -4.14 120.51 121.73 2q3r n ALA 145 Ca 0.29 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 2q3r n ALA 145 Cb 0.49 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 2.92 0.00 -8.00 0.00 5.85 -1.67 -3.42 115.31 110.99 2q3r h LEU 146 Ca -0.14 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 57.87 2q3r h LEU 146 Cb 0.62 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.45 2q3r h LEU 146 CO 0.46 0.40 0.47 -0.36 -0.34 0.00 0.00 178.44 179.07 2q3r s PHE 147 N -1.56 3.22 0.06 1.25 2.99 -1.26 -4.65 117.98 118.03 2q3r s PHE 147 Ca -0.04 -1.39 -0.32 0.00 0.00 0.00 0.00 56.93 55.18 2q3r s PHE 147 Cb 0.01 -4.11 -0.11 0.00 0.00 0.00 0.00 43.02 38.81 2q3r s PHE 147 CO 0.07 -1.33 1.85 2.41 -0.00 0.00 0.00 175.22 178.21 2q3r n THR 148 N 5.15 0.46 -1.58 0.64 -1.04 -1.24 -4.79 114.28 111.88 2q3r n THR 148 Ca 0.12 -0.08 -0.45 0.00 -2.04 0.00 0.00 64.05 61.60 2q3r n THR 148 Cb 0.47 -2.05 -0.02 0.00 -1.82 0.00 0.00 70.33 66.91 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 6.01 1.30 -2.80 -2.82 -0.02 -1.26 -4.51 135.00 130.90 2q3r n PRO 149 Ca 0.19 0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 2q3r n PRO 149 Cb 0.35 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.44 4.47 -0.17 0.52 0.04 -1.26 -4.31 135.00 132.85 2q3r s PRO 150 Ca 0.60 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.65 2q3r s PRO 150 Cb -0.72 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 2q3r s PRO 150 CO 0.59 0.19 0.77 0.50 0.04 0.00 0.00 177.00 179.09 2q3r s ARG 151 N -2.39 4.29 0.21 4.56 3.52 0.33 -4.23 118.95 125.24 2q3r s ARG 151 Ca 0.54 0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 56.73 2q3r s ARG 151 Cb -0.16 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.58 2q3r s ARG 151 CO 0.20 -0.27 1.36 0.50 -0.81 0.00 0.00 175.30 176.29 2q3r s ARG 152 N 1.95 4.35 0.05 5.12 3.52 -1.26 -2.43 118.95 130.25 2q3r s ARG 152 Ca 0.36 2.13 -0.30 0.00 -0.13 0.00 0.00 55.73 57.79 2q3r s ARG 152 Cb -0.16 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 2q3r s ARG 152 CO 0.12 -0.32 1.10 -0.51 -0.81 0.00 0.00 175.30 174.89 2q3r s LEU 153 N -0.10 4.38 0.29 -0.88 1.43 -0.87 -4.93 118.68 118.00 2q3r s LEU 153 Ca 0.58 1.88 -0.29 0.00 -1.03 0.00 0.00 54.13 55.27 2q3r s LEU 153 Cb -0.38 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.16 2q3r s LEU 153 CO 0.39 -0.36 1.38 -0.83 0.23 0.00 0.00 176.35 177.16 2q3r s GLY 154 N 0.93 2.63 0.52 -3.19 0.00 -1.26 -4.87 107.32 102.08 2q3r s GLY 154 Ca 0.55 1.31 0.22 0.00 0.00 0.00 0.00 44.72 46.80 2q3r s GLY 154 CO 0.29 2.13 2.04 1.19 0.00 0.00 0.00 173.10 178.75 2q3r h ILE 155 N 3.32 0.83 0.00 0.90 2.10 -2.00 0.19 117.51 122.84 2q3r h ILE 155 Ca -0.47 -0.01 -0.05 0.00 1.08 0.00 0.00 64.86 65.41 2q3r h ILE 155 Cb 1.22 0.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 2q3r h ILE 155 CO 0.72 0.00 -0.25 -0.33 -1.08 0.00 0.00 178.15 177.22 2q3r h GLU 156 N 0.02 0.00 -0.00 2.19 4.39 -2.04 -3.07 114.58 116.07 2q3r h GLU 156 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2q3r h GLU 156 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2q3r h GLU 156 CO -0.01 0.25 -0.08 -1.91 -1.16 0.00 0.00 179.01 176.10 2q3r n GLU 157 N -3.18 0.41 0.04 2.33 2.13 0.63 -4.01 120.64 118.98 2q3r n GLU 157 Ca 0.03 -0.08 -0.20 0.00 0.66 0.00 0.00 57.16 57.57 2q3r n GLU 157 Cb 0.60 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.70 2q3r n GLU 157 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2q3r h ILE 158 N 0.21 1.38 -0.32 6.31 2.04 -1.34 -3.28 117.51 122.51 2q3r h ILE 158 Ca 0.00 -2.27 0.09 0.00 1.00 0.00 0.00 64.86 63.68 2q3r h ILE 158 Cb 0.37 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 2q3r h ILE 158 CO 0.00 0.67 0.40 -0.65 0.00 0.00 0.00 178.15 178.57 2q3r h PRO 159 N 0.03 0.00 -0.01 2.37 0.11 -1.76 0.38 132.00 133.12 2q3r h PRO 159 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2q3r h PRO 159 Cb 1.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.69 2q3r h PRO 159 CO 0.17 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.37 2q3r n GLY 160 N -1.44 -0.91 0.05 -0.55 0.00 -1.24 -2.52 105.19 98.59 2q3r n GLY 160 Ca 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.70 0.59 0.27 -0.61 5.41 0.13 -4.01 119.36 120.45 2q3r n ILE 161 Ca 0.13 -0.24 0.14 0.00 1.00 0.00 0.00 62.75 63.78 2q3r n ILE 161 Cb 0.08 -0.86 0.77 0.00 -0.71 0.00 0.00 39.64 38.91 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 0.00 0.51 0.00 1.39 2.07 -1.46 0.13 116.25 118.89 2q3r h VAL 162 Ca -0.23 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 2q3r h VAL 162 Cb 1.37 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2q3r h VAL 162 CO -0.03 0.09 -0.49 -1.13 0.02 0.00 0.00 177.57 176.03 2q3r h ASN 163 N 0.00 0.00 -0.53 0.57 -0.73 -1.70 -3.20 115.58 109.98 2q3r h ASN 163 Ca -0.00 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 2q3r h ASN 163 Cb 0.29 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 2q3r h ASN 163 CO 0.01 0.12 0.04 0.44 -0.37 0.00 0.00 177.43 177.67 2q3r h ASP 164 N 0.00 0.92 -0.24 1.15 3.32 -0.87 0.07 116.42 120.76 2q3r h ASP 164 Ca -0.01 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.67 2q3r h ASP 164 Cb 1.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2q3r h ASP 164 CO 0.01 0.95 -0.35 -0.26 -1.72 0.00 0.00 179.24 177.87 2q3r h PHE 165 N 0.89 0.91 -0.59 4.55 -1.00 -1.52 -2.16 116.94 118.02 2q3r h PHE 165 Ca 0.17 -0.25 -0.09 0.00 2.81 0.00 0.00 57.97 60.61 2q3r h PHE 165 Cb 0.46 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 2q3r h PHE 165 CO 0.03 1.01 0.03 -0.09 -1.61 0.00 0.00 178.31 177.68 2q3r h ARG 166 N 0.64 1.01 0.00 1.51 2.43 -1.45 0.42 114.38 118.95 2q3r h ARG 166 Ca 0.06 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2q3r h ARG 166 Cb 0.90 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2q3r h ARG 166 CO 0.08 0.98 0.00 -0.11 -1.51 0.00 0.00 179.97 179.41 2q3r n LEU 167 N -4.19 0.67 0.01 3.80 7.94 -0.03 -0.74 117.00 124.46 2q3r n LEU 167 Ca 0.03 0.67 -0.18 0.00 -1.11 0.00 0.00 56.01 55.41 2q3r n LEU 167 Cb 0.32 -0.58 -0.14 0.00 0.53 0.00 0.00 43.42 43.56 2q3r n LEU 167 CO 0.43 -0.56 -0.69 0.00 -1.11 0.00 0.00 177.39 175.46 2q3r h ALA 168 N 2.27 0.47 0.12 1.96 0.00 -0.65 -3.23 119.26 120.21 2q3r h ALA 168 Ca 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 54.91 53.54 2q3r h ALA 168 Cb 0.37 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2q3r h ALA 168 CO 0.00 1.34 -0.06 0.00 0.00 0.00 0.00 179.25 180.53 2q3r h ALA 169 N 0.31 -0.16 -0.81 0.00 0.00 -0.01 -1.29 119.26 117.29 2q3r h ALA 169 Ca -0.37 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.50 2q3r h ALA 169 Cb 2.04 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.78 2q3r h ALA 169 CO 0.10 -0.39 0.34 0.07 0.00 0.00 0.00 179.25 179.37 2q3r h ARG 170 N -0.58 0.43 0.17 0.00 0.11 -1.12 -0.21 114.38 113.18 2q3r h ARG 170 Ca -0.02 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2q3r h ARG 170 Cb 0.45 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2q3r h ARG 170 CO 0.03 0.28 -0.08 -0.91 0.10 0.00 0.00 179.97 179.39 2q3r h ASN 171 N 0.44 -0.19 -0.87 0.08 4.21 -1.54 -0.90 115.58 116.82 2q3r h ASN 171 Ca 0.47 -0.07 0.22 0.00 1.21 0.00 0.00 56.30 58.14 2q3r h ASN 171 Cb 0.77 0.05 -0.15 0.00 -1.12 0.00 0.00 38.32 37.87 2q3r h ASN 171 CO -0.45 -0.05 0.12 0.00 -1.29 0.00 0.00 177.43 175.76 2q3r h ALA 172 N 0.51 1.11 0.29 -0.83 0.00 0.14 3.41 119.26 123.89 2q3r h ALA 172 Ca -0.02 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2q3r h ALA 172 Cb 0.24 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2q3r h ALA 172 CO 0.04 -0.48 -0.14 0.52 0.00 0.00 0.00 179.25 179.19 2q3r h MET 173 N 0.13 -0.38 -0.01 0.00 2.86 -0.79 0.52 114.93 117.25 2q3r h MET 173 Ca 0.52 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.19 2q3r h MET 173 Cb 1.03 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 2q3r h MET 173 CO -0.72 -0.22 0.02 1.49 1.06 0.00 0.00 176.91 178.55 2q3r h GLU 174 N -0.44 0.00 0.00 1.72 4.57 0.21 0.88 114.58 121.52 2q3r h GLU 174 Ca -0.04 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2q3r h GLU 174 Cb 0.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2q3r h GLU 174 CO 0.07 0.00 -0.26 0.00 -1.18 0.00 0.00 179.01 177.64 2q3r h ALA 175 N 1.97 0.86 0.00 2.92 0.00 0.86 -3.47 119.26 122.39 2q3r h ALA 175 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2q3r h ALA 175 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2q3r h ALA 175 CO -0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2q3r n GLY 176 N 0.95 0.87 3.71 0.00 0.00 0.31 -4.89 105.19 106.13 2q3r n GLY 176 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.02 2.18 -2.15 1.61 0.40 -0.53 -4.89 117.98 112.59 2q3r s PHE 177 Ca 0.00 1.45 0.21 0.00 -0.60 0.00 0.00 56.93 57.99 2q3r s PHE 177 Cb 0.00 -3.15 1.00 0.00 0.51 0.00 0.00 43.02 41.38 2q3r s PHE 177 CO 0.00 -2.41 1.68 -0.25 0.70 0.00 0.00 175.22 174.93 2q3r n ASP 178 N -3.93 0.79 0.00 1.36 8.00 0.54 -4.65 116.55 118.67 2q3r n ASP 178 Ca 0.08 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2q3r n ASP 178 Cb 0.54 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2q3r n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q3r n GLY 179 N 0.97 0.09 3.17 0.44 0.00 -0.91 -4.75 105.19 104.19 2q3r n GLY 179 Ca 0.16 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 2q3r n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q3r s VAL 180 N -2.56 0.99 -0.22 1.61 0.11 -1.01 -1.67 120.40 117.65 2q3r s VAL 180 Ca 0.00 -1.45 -0.04 0.00 -2.93 0.00 0.00 61.98 57.56 2q3r s VAL 180 Cb 0.00 -1.17 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2q3r s VAL 180 CO 0.00 -0.40 -0.02 -0.70 -3.33 0.00 0.00 175.10 170.65 2q3r s GLU 181 N -2.22 3.47 0.02 1.54 2.12 -0.65 -2.45 118.70 120.53 2q3r s GLU 181 Ca 0.01 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 2q3r s GLU 181 Cb -0.07 -3.06 -0.07 0.00 0.26 0.00 0.00 34.13 31.20 2q3r s GLU 181 CO 0.01 -0.14 1.54 0.42 -0.54 0.00 0.00 175.26 176.55 2q3r s ILE 182 N 1.36 3.41 -0.86 -3.70 1.01 0.94 -3.05 121.20 120.31 2q3r s ILE 182 Ca 0.04 0.79 -0.06 0.00 0.00 0.00 0.00 60.65 61.43 2q3r s ILE 182 Cb -0.14 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2q3r s ILE 182 CO -0.01 -0.01 2.82 1.57 0.00 0.00 0.00 174.94 179.31 2q3r n HIS 183 N 5.69 1.79 0.69 3.97 -0.00 -1.22 -0.16 115.22 125.97 2q3r n HIS 183 Ca 0.15 -2.35 0.00 0.00 -0.00 0.00 0.00 57.72 55.52 2q3r n HIS 183 Cb 0.42 -1.75 0.00 0.00 -0.00 0.00 0.00 29.99 28.66 2q3r n HIS 183 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2q3r n GLY 184 N 1.87 0.95 0.00 1.57 0.00 0.21 -4.58 105.19 105.20 2q3r n GLY 184 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.14 0.00 -1.33 4.61 0.00 -0.72 -4.09 120.51 119.13 2q3r n ALA 185 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2q3r n ALA 185 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.50 -5.22 -0.07 0.00 4.13 -1.26 -3.02 115.26 108.33 2q3r n ASN 186 Ca 0.00 0.28 -0.01 0.00 1.68 0.00 0.00 54.58 56.53 2q3r n ASN 186 Cb 0.00 -3.72 -0.00 0.00 -1.54 0.00 0.00 39.78 34.51 2q3r n ASN 186 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2q3r n GLY 187 N -0.46 0.49 0.00 7.41 0.00 -1.26 -4.71 105.19 106.66 2q3r n GLY 187 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2q3r n GLY 187 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q3r n TYR 188 N -2.92 0.00 -0.09 1.61 4.01 -1.17 -4.50 117.16 114.11 2q3r n TYR 188 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 2q3r n TYR 188 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 2q3r n TYR 188 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2q3r h LEU 189 N 0.00 0.41 0.00 7.72 5.85 -0.89 -0.78 115.31 127.62 2q3r h LEU 189 Ca 0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2q3r h LEU 189 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2q3r h LEU 189 CO 0.00 0.56 0.00 -0.38 -0.34 0.00 0.00 178.44 178.28 2q3r n ILE 190 N -4.68 0.56 -0.07 4.05 5.41 -1.26 -2.93 119.36 120.43 2q3r n ILE 190 Ca -0.03 0.14 -0.22 0.00 1.00 0.00 0.00 62.75 63.64 2q3r n ILE 190 Cb 0.20 -0.79 -0.12 0.00 -0.71 0.00 0.00 39.64 38.22 2q3r n ILE 190 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2q3r n ASP 191 N -1.48 1.95 -0.13 4.38 -0.08 -1.07 -4.14 116.55 115.99 2q3r n ASP 191 Ca 0.06 0.34 -0.05 0.00 -1.51 0.00 0.00 54.79 53.63 2q3r n ASP 191 Cb 0.23 -0.92 0.02 0.00 2.34 0.00 0.00 41.12 42.79 2q3r n ASP 191 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2q3r h GLN 192 N -0.64 -0.08 -0.55 -0.67 4.20 -1.02 0.55 115.11 116.88 2q3r h GLN 192 Ca -0.40 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.36 2q3r h GLN 192 Cb 1.57 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.33 2q3r h GLN 192 CO -0.13 -0.06 0.37 0.74 -0.67 0.00 0.00 178.83 179.09 2q3r h PHE 193 N -0.09 0.59 -0.12 2.96 -1.00 -1.75 -2.76 116.94 114.77 2q3r h PHE 193 Ca 0.21 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.90 2q3r h PHE 193 Cb 0.41 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.78 2q3r h PHE 193 CO -0.44 0.34 -0.33 0.52 -1.61 0.00 0.00 178.31 176.79 2q3r h MET 194 N 0.61 0.43 -6.29 1.51 2.86 -1.14 -3.41 114.93 109.50 2q3r h MET 194 Ca 0.23 -0.31 -0.55 0.00 -2.06 0.00 0.00 59.70 57.01 2q3r h MET 194 Cb 0.14 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2q3r h MET 194 CO -0.06 0.93 0.88 0.15 1.06 0.00 0.00 176.91 179.86 2q3r s LYS 195 N -3.86 4.26 0.00 1.72 -0.14 0.01 -4.85 119.74 116.88 2q3r s LYS 195 Ca -0.14 1.89 0.05 0.00 -1.36 0.00 0.00 55.97 56.41 2q3r s LYS 195 Cb 0.05 -3.69 0.29 0.00 -1.68 0.00 0.00 37.83 32.79 2q3r s LYS 195 CO 0.79 -0.64 0.82 -0.40 -0.76 0.00 0.00 175.35 175.16 2q3r n ASP 196 N 5.97 0.00 -0.04 2.83 5.75 -1.26 -1.29 116.55 128.51 2q3r n ASP 196 Ca 0.14 -1.01 0.07 0.00 -0.01 0.00 0.00 54.79 53.97 2q3r n ASP 196 Cb 0.44 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.46 2q3r n ASP 196 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2q3r n THR 197 N -0.63 0.00 -0.02 2.12 -2.24 -1.25 -4.65 114.28 107.61 2q3r n THR 197 Ca 0.04 -0.18 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 2q3r n THR 197 Cb 0.02 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.20 0.29 -2.52 2.28 0.31 -0.62 -4.91 118.33 111.96 2q3r n VAL 198 Ca 0.03 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 63.84 2q3r n VAL 198 Cb 0.23 -0.72 -0.03 0.00 -0.91 0.00 0.00 33.84 32.41 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 -4.31 6.38 -0.61 4.52 3.84 -0.41 -4.65 114.94 119.71 2q3r s ASN 199 Ca -0.06 -1.33 0.00 0.00 0.21 0.00 0.00 52.86 51.68 2q3r s ASN 199 Cb 0.02 -2.57 0.44 0.00 -0.55 0.00 0.00 41.25 38.59 2q3r s ASN 199 CO 0.13 -1.62 1.83 -0.90 -2.79 0.00 0.00 177.10 173.75 2q3r n ASP 200 N 9.28 7.02 -4.84 -4.21 5.75 -1.26 -4.48 116.55 123.81 2q3r n ASP 200 Ca 0.32 -3.79 -0.34 0.00 -0.01 0.00 0.00 54.79 50.97 2q3r n ASP 200 Cb 0.51 -0.84 -0.06 0.00 -1.03 0.00 0.00 41.12 39.69 2q3r n ASP 200 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2q3r s ARG 201 N -3.80 4.07 -0.22 0.11 0.52 -1.26 -4.95 118.95 113.42 2q3r s ARG 201 Ca 0.60 0.71 0.13 0.00 -0.52 0.00 0.00 55.73 56.66 2q3r s ARG 201 Cb 0.48 -2.60 0.47 0.00 0.52 0.00 0.00 34.95 33.82 2q3r s ARG 201 CO -0.05 0.25 1.38 0.25 0.02 0.00 0.00 175.30 177.14 2q3r n THR 202 N 0.03 2.32 -2.61 0.02 -2.24 -1.26 -2.08 114.28 108.46 2q3r n THR 202 Ca 0.01 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.37 2q3r n THR 202 Cb 0.52 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2q3r n THR 202 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3r n ASP 203 N -0.97 1.30 0.08 3.42 3.85 -1.26 -5.01 116.55 117.95 2q3r n ASP 203 Ca 0.25 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.44 2q3r n ASP 203 Cb 0.89 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 41.11 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 0.00 0.14 -0.10 0.11 0.28 -1.26 -2.88 120.64 116.93 2q3r n GLU 204 Ca 0.00 0.28 0.11 0.00 -0.16 0.00 0.00 57.16 57.39 2q3r n GLU 204 Cb 0.00 -1.73 0.31 0.00 1.43 0.00 0.00 31.44 31.46 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 -1.99 0.26 -3.84 -1.84 4.01 -1.26 -4.50 117.16 108.00 2q3r n TYR 205 Ca 0.04 -0.13 -0.10 0.00 -0.16 0.00 0.00 57.90 57.55 2q3r n TYR 205 Cb 0.28 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 2q3r n TYR 205 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2q3r s GLY 206 N -1.62 0.51 0.00 2.72 0.00 -1.14 -3.85 107.32 103.94 2q3r s GLY 206 Ca 0.34 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2q3r s GLY 206 CO 0.29 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.60 2q3r n GLY 207 N -0.53 0.62 3.57 0.20 0.00 -0.88 -4.29 105.19 103.87 2q3r n GLY 207 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.91 -0.28 0.22 1.61 1.04 -1.26 -5.00 113.70 107.11 2q3r s SER 208 Ca 0.00 0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.51 2q3r s SER 208 Cb 0.00 0.26 0.33 0.00 0.10 0.00 0.00 66.02 66.71 2q3r s SER 208 CO 0.00 -0.36 1.66 0.25 0.98 0.00 0.00 173.24 175.78 2q3r h LEU 209 N 2.25 -0.24 0.61 2.42 5.85 -1.95 0.32 115.31 124.56 2q3r h LEU 209 Ca -0.16 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2q3r h LEU 209 Cb 1.19 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 2q3r h LEU 209 CO 0.28 -0.11 -0.51 1.56 -0.34 0.00 0.00 178.44 179.33 2q3r h GLN 210 N 0.14 -1.05 -0.36 1.25 4.20 -1.98 -1.57 115.11 115.73 2q3r h GLN 210 Ca 0.34 0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.17 2q3r h GLN 210 Cb 0.56 0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 2q3r h GLN 210 CO -0.54 -0.70 0.24 -0.91 -0.67 0.00 0.00 178.83 176.26 2q3r h ASN 211 N -1.09 0.25 0.26 1.46 4.21 -1.60 -1.97 115.58 117.10 2q3r h ASN 211 Ca -0.08 -0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.31 2q3r h ASN 211 Cb 0.92 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 2q3r h ASN 211 CO -0.00 0.17 -0.47 0.03 -1.29 0.00 0.00 177.43 175.87 2q3r h ARG 212 N 0.29 0.25 -0.01 0.81 3.08 0.08 -2.97 114.38 115.91 2q3r h ARG 212 Ca 0.15 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2q3r h ARG 212 Cb 0.25 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2q3r h ARG 212 CO -0.03 0.67 -0.25 0.00 -1.07 0.00 0.00 179.97 179.28 2q3r h LYS 214 N 0.96 1.02 0.41 0.00 3.64 -1.29 -1.73 116.57 119.59 2q3r h LYS 214 Ca 0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2q3r h LYS 214 Cb 0.48 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2q3r h LYS 214 CO 0.00 0.68 -0.20 0.35 -2.27 0.00 0.00 179.45 178.01 2q3r h PHE 215 N 1.05 -0.51 -0.17 1.91 3.57 -1.76 -1.18 116.94 119.85 2q3r h PHE 215 Ca 0.40 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 2q3r h PHE 215 Cb 0.20 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2q3r h PHE 215 CO -0.00 -0.25 0.07 -1.00 -2.23 0.00 0.00 178.31 174.90 2q3r h PRO 216 N -0.68 0.26 -0.56 6.41 0.13 -1.78 -2.40 132.00 133.37 2q3r h PRO 216 Ca -0.06 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.06 2q3r h PRO 216 Cb 0.49 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 2q3r h PRO 216 CO 0.09 0.32 0.37 -0.07 -0.23 0.00 0.00 178.00 178.49 2q3r h LEU 217 N 0.13 0.57 -1.51 1.56 3.38 -1.35 0.28 115.31 118.37 2q3r h LEU 217 Ca 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2q3r h LEU 217 Cb 0.16 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2q3r h LEU 217 CO -0.01 0.40 -0.14 -0.08 0.09 0.00 0.00 178.44 178.70 2q3r h GLU 218 N 0.66 0.00 0.18 1.13 4.81 -1.00 0.32 114.58 120.69 2q3r h GLU 218 Ca 0.22 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.16 2q3r h GLU 218 Cb 0.07 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.47 2q3r h GLU 218 CO -0.06 0.14 -1.39 0.82 -0.73 0.00 0.00 179.01 177.79 2q3r h ILE 219 N 0.00 1.19 -0.88 2.32 2.04 -0.05 -2.57 117.51 119.55 2q3r h ILE 219 Ca -0.00 -2.55 0.02 0.00 1.00 0.00 0.00 64.86 63.33 2q3r h ILE 219 Cb 0.55 2.94 -0.05 0.00 -0.74 0.00 0.00 36.82 39.51 2q3r h ILE 219 CO 0.02 0.78 0.58 0.58 0.00 0.00 0.00 178.15 180.11 2q3r h VAL 220 N -0.08 1.19 0.74 1.67 2.07 -0.66 -1.51 116.25 119.67 2q3r h VAL 220 Ca -0.27 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2q3r h VAL 220 Cb 1.95 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2q3r h VAL 220 CO 0.18 0.21 -0.40 -0.78 0.02 0.00 0.00 177.57 176.79 2q3r h ASP 221 N 1.16 -0.99 -0.44 0.57 3.58 -0.96 -0.97 116.42 118.37 2q3r h ASP 221 Ca 0.33 0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.89 2q3r h ASP 221 Cb -0.08 0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.19 2q3r h ASP 221 CO -0.09 -0.65 0.13 0.00 -2.88 0.00 0.00 179.24 175.75 2q3r h ALA 222 N -0.84 0.52 -0.29 -0.78 0.00 -1.25 -1.59 119.26 115.03 2q3r h ALA 222 Ca -0.10 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2q3r h ALA 222 Cb 0.83 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2q3r h ALA 222 CO 0.13 -0.26 0.05 0.28 0.00 0.00 0.00 179.25 179.45 2q3r h VAL 223 N 0.29 1.23 -0.45 0.00 2.07 -1.29 -2.15 116.25 115.96 2q3r h VAL 223 Ca 0.21 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 2q3r h VAL 223 Cb 0.23 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2q3r h VAL 223 CO -0.23 0.26 0.20 0.00 0.02 0.00 0.00 177.57 177.81 2q3r h ALA 224 N 0.87 1.51 -0.14 1.67 0.00 -0.88 -0.39 119.26 121.91 2q3r h ALA 224 Ca 0.09 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2q3r h ALA 224 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2q3r h ALA 224 CO 0.01 0.39 -0.46 0.87 0.00 0.00 0.00 179.25 180.05 2q3r h LYS 225 N 0.63 0.56 0.72 0.00 1.57 -1.22 0.64 116.57 119.47 2q3r h LYS 225 Ca 0.16 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 2q3r h LYS 225 Cb 0.09 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2q3r h LYS 225 CO -0.02 1.04 -0.46 1.49 -0.57 0.00 0.00 179.45 180.93 2q3r h GLU 226 N 0.20 -1.07 -0.12 3.15 4.57 -0.91 -3.33 114.58 117.07 2q3r h GLU 226 Ca -0.02 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2q3r h GLU 226 Cb 1.09 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 2q3r h GLU 226 CO 0.10 -0.72 0.00 0.44 -1.18 0.00 0.00 179.01 177.65 2q3r n ILE 227 N -5.59 0.19 -0.22 2.32 -5.35 -0.20 -4.97 119.36 105.54 2q3r n ILE 227 Ca -0.14 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 2q3r n ILE 227 Cb 0.47 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 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 1.01 -1.03 0.40 3.28 0.00 0.22 -4.58 105.19 104.48 2q3r n GLY 228 Ca 0.12 -1.01 0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.67 -0.24 132.00 131.84 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 0.00 -0.20 1.44 5.68 -1.26 -0.78 116.55 118.04 2q3r n ASP 230 Ca 0.08 0.11 0.08 0.00 -0.50 0.00 0.00 54.79 54.57 2q3r n ASP 230 Cb 0.78 -0.31 0.13 0.00 -1.14 0.00 0.00 41.12 40.58 2q3r n ASP 230 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2q3r n ARG 231 N -1.31 1.16 -4.67 0.11 1.74 -0.10 -4.64 116.66 108.95 2q3r n ARG 231 Ca 0.07 -2.48 -0.33 0.00 -0.77 0.00 0.00 57.85 54.34 2q3r n ARG 231 Cb 0.13 -1.38 -0.16 0.00 -1.02 0.00 0.00 32.46 30.03 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 -2.57 2.16 0.14 1.55 1.01 -0.87 -2.42 120.40 119.41 2q3r s VAL 232 Ca 0.29 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.42 2q3r s VAL 232 Cb 0.26 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2q3r s VAL 232 CO 0.01 0.54 -0.20 -0.83 0.00 0.00 0.00 175.10 174.63 2q3r s GLY 233 N 0.80 1.68 -0.00 4.51 0.00 -1.03 0.15 107.32 113.43 2q3r s GLY 233 Ca -0.07 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 43.26 2q3r s GLY 233 CO -0.01 -1.44 -0.18 -1.50 0.00 0.00 0.00 173.10 169.97 2q3r s ILE 234 N -1.29 2.78 -0.12 0.90 2.07 0.81 -0.04 121.20 126.31 2q3r s ILE 234 Ca 0.19 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 2q3r s ILE 234 Cb -0.10 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.39 2q3r s ILE 234 CO 0.10 0.47 -0.17 -0.60 -1.91 0.00 0.00 174.94 172.83 2q3r s ARG 235 N -1.05 2.45 0.12 3.50 3.52 0.77 0.12 118.95 128.39 2q3r s ARG 235 Ca 0.13 -0.64 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 2q3r s ARG 235 Cb -0.10 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 2q3r s ARG 235 CO 0.03 -0.06 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.90 2q3r s LEU 236 N 0.96 2.39 -0.41 -0.88 1.43 -0.30 0.65 118.68 122.52 2q3r s LEU 236 Ca -0.06 -1.05 0.09 0.00 -1.03 0.00 0.00 54.13 52.08 2q3r s LEU 236 Cb -0.15 -0.08 0.33 0.00 0.03 0.00 0.00 46.19 46.32 2q3r s LEU 236 CO -0.02 -0.49 0.86 -1.54 0.23 0.00 0.00 176.35 175.39 2q3r n SER 237 N -0.11 -0.53 0.27 2.29 3.41 -1.26 -2.04 113.62 115.65 2q3r n SER 237 Ca -0.10 -3.25 0.15 0.00 -0.26 0.00 0.00 58.87 55.40 2q3r n SER 237 Cb 0.61 0.41 0.81 0.00 -0.26 0.00 0.00 64.21 65.79 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 3.12 0.00 -0.04 4.33 0.13 -1.89 -2.18 132.00 135.47 2q3r h PRO 238 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2q3r h PRO 238 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2q3r h PRO 238 CO 0.36 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.32 2q3r n PHE 239 N -2.66 0.02 -2.98 1.56 3.01 -1.26 -4.46 117.46 110.69 2q3r n PHE 239 Ca -0.02 -0.01 -0.17 0.00 1.01 0.00 0.00 57.45 58.26 2q3r n PHE 239 Cb 0.20 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.98 4.48 -0.03 4.37 0.00 -0.82 -4.82 121.76 122.95 2q3r s ALA 240 Ca 0.30 -1.64 0.04 0.00 0.00 0.00 0.00 51.96 50.66 2q3r s ALA 240 Cb 0.20 -1.67 0.07 0.00 0.00 0.00 0.00 23.12 21.72 2q3r s ALA 240 CO 0.30 -0.32 1.03 -0.40 0.00 0.00 0.00 175.76 176.38 2q3r n ASP 241 N -1.89 0.55 -4.64 0.00 5.68 -1.26 -3.74 116.55 111.25 2q3r n ASP 241 Ca 0.08 -2.24 -0.54 0.00 -0.50 0.00 0.00 54.79 51.59 2q3r n ASP 241 Cb 0.59 -0.25 -0.06 0.00 -1.14 0.00 0.00 41.12 40.26 2q3r n ASP 241 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2q3r n TYR 242 N -0.33 1.71 -3.26 2.11 9.36 -1.26 -1.08 117.16 124.41 2q3r n TYR 242 Ca 0.04 0.61 -0.15 0.00 3.32 0.00 0.00 57.90 61.71 2q3r n TYR 242 Cb 0.68 -2.38 0.07 0.00 -0.63 0.00 0.00 39.34 37.09 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 3.64 -3.73 -4.12 2.98 2.81 -1.26 -3.49 117.12 113.95 2q3r n MET 243 Ca 0.22 0.83 -0.43 0.00 -1.81 0.00 0.00 57.70 56.51 2q3r n MET 243 Cb 0.16 -5.70 -0.00 0.00 -0.71 0.00 0.00 33.22 26.96 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 -3.48 -0.37 -0.26 0.03 1.02 -0.24 -4.88 120.64 112.47 2q3r n GLU 244 Ca -0.15 0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 2q3r n GLU 244 Cb 0.63 -2.51 0.16 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.14 2.08 -4.77 1.62 3.41 -0.87 -4.80 113.62 108.15 2q3r n SER 245 Ca -0.15 -3.29 -0.33 0.00 -0.26 0.00 0.00 58.87 54.84 2q3r n SER 245 Cb 0.56 -0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.92 2.08 -0.02 5.00 0.00 -1.24 -4.55 107.32 105.67 2q3r s GLY 246 Ca 0.33 0.51 0.07 0.00 0.00 0.00 0.00 44.72 45.63 2q3r s GLY 246 CO -0.00 0.86 -0.24 -0.35 0.00 0.00 0.00 173.10 173.37 2q3r s ASP 247 N -2.70 3.23 0.56 1.64 -1.08 -1.26 -3.80 116.67 113.25 2q3r s ASP 247 Ca 0.66 -0.44 0.34 0.00 -0.52 0.00 0.00 52.55 52.60 2q3r s ASP 247 Cb -0.20 -0.42 1.48 0.00 -1.46 0.00 0.00 42.92 42.32 2q3r s ASP 247 CO 0.44 0.32 2.03 0.71 0.52 0.00 0.00 175.17 179.19 2q3r h THR 248 N 4.43 0.07 -2.02 1.71 1.35 -1.95 -3.27 112.91 113.23 2q3r h THR 248 Ca -0.44 -0.49 -0.54 0.00 -0.55 0.00 0.00 66.41 64.38 2q3r h THR 248 Cb 1.13 1.46 -0.40 0.00 -1.73 0.00 0.00 68.15 68.61 2q3r h THR 248 CO 0.47 0.02 -1.08 -3.20 -0.25 0.00 0.00 175.52 171.49 2q3r n ASN 249 N -3.14 0.75 0.30 5.36 2.85 -1.26 -4.95 115.26 115.17 2q3r n ASN 249 Ca -0.00 -2.86 0.16 0.00 -0.11 0.00 0.00 54.58 51.77 2q3r n ASN 249 Cb 0.28 -0.63 0.93 0.00 1.24 0.00 0.00 39.78 41.59 2q3r n ASN 249 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2q3r h PRO 250 N 3.72 0.00 -0.36 1.20 0.13 -1.80 -2.39 132.00 132.51 2q3r h PRO 250 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 2q3r h PRO 250 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2q3r h PRO 250 CO 0.51 0.02 -0.30 0.78 -0.23 0.00 0.00 178.00 178.78 2q3r h GLY 251 N 0.17 0.91 1.03 1.56 0.00 -1.92 -1.91 103.07 102.91 2q3r h GLY 251 Ca -0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 2q3r h GLY 251 CO 0.00 0.81 -0.09 0.00 0.00 0.00 0.00 176.54 177.27 2q3r h ALA 252 N 0.76 0.65 0.29 3.60 0.00 -1.87 -1.70 119.26 120.99 2q3r h ALA 252 Ca 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2q3r h ALA 252 Cb 0.88 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2q3r h ALA 252 CO 0.08 0.53 -0.14 1.25 0.00 0.00 0.00 179.25 180.97 2q3r h LEU 253 N 0.74 -0.33 -1.43 0.00 5.85 -1.53 0.16 115.31 118.76 2q3r h LEU 253 Ca 0.12 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2q3r h LEU 253 Cb 0.63 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2q3r h LEU 253 CO 0.04 -0.21 0.44 1.23 -0.34 0.00 0.00 178.44 179.60 2q3r h GLY 254 N -0.42 0.86 0.14 3.75 0.00 -1.20 -1.72 103.07 104.49 2q3r h GLY 254 Ca -0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2q3r h GLY 254 CO 0.07 0.21 -0.00 -2.00 0.00 0.00 0.00 176.54 174.82 2q3r h LEU 255 N 0.69 -0.00 -0.80 3.11 5.85 -1.12 -2.91 115.31 120.14 2q3r h LEU 255 Ca 0.29 -0.85 0.11 0.00 0.84 0.00 0.00 57.88 58.27 2q3r h LEU 255 Cb 0.25 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 2q3r h LEU 255 CO -0.09 0.85 0.43 0.22 -0.34 0.00 0.00 178.44 179.51 2q3r h TYR 256 N -0.86 0.77 -0.21 1.25 3.20 -0.72 -0.91 116.97 119.49 2q3r h TYR 256 Ca -0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2q3r h TYR 256 Cb 0.85 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2q3r h TYR 256 CO 0.23 0.27 -0.02 0.52 -1.64 0.00 0.00 178.16 177.52 2q3r h MET 257 N 0.69 0.38 0.03 1.82 2.86 -1.43 -0.90 114.93 118.39 2q3r h MET 257 Ca 0.40 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2q3r h MET 257 Cb 0.43 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2q3r h MET 257 CO -0.28 0.60 -0.01 0.00 1.06 0.00 0.00 176.91 178.27 2q3r h ALA 258 N 0.77 -0.03 -0.69 6.32 0.00 -1.25 -1.31 119.26 123.08 2q3r h ALA 258 Ca 0.06 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2q3r h ALA 258 Cb 0.44 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2q3r h ALA 258 CO 0.01 -0.50 0.39 0.93 0.00 0.00 0.00 179.25 180.09 2q3r h GLU 259 N -0.08 0.70 0.00 0.00 5.08 -1.21 0.13 114.58 119.20 2q3r h GLU 259 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2q3r h GLU 259 Cb 0.07 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2q3r h GLU 259 CO 0.01 0.47 0.00 0.43 -1.00 0.00 0.00 179.01 178.91 2q3r n SER 260 N -4.76 0.00 0.07 1.42 7.64 -0.34 -2.46 113.62 115.18 2q3r n SER 260 Ca 0.09 0.42 0.06 0.00 1.01 0.00 0.00 58.87 60.45 2q3r n SER 260 Cb 0.17 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.87 2q3r n SER 260 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2q3r n LEU 261 N -1.45 0.83 0.02 -3.43 4.77 0.43 -4.10 117.00 114.06 2q3r n LEU 261 Ca 0.03 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 2q3r n LEU 261 Cb 0.12 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 2q3r n LEU 261 CO 0.10 -0.03 0.80 0.78 -1.33 0.00 0.00 177.39 177.70 2q3r h ASN 262 N 0.00 0.02 -1.01 -1.43 2.35 -1.38 -2.14 115.58 112.00 2q3r h ASN 262 Ca -0.08 -0.16 0.28 0.00 -0.55 0.00 0.00 56.30 55.79 2q3r h ASN 262 Cb 1.26 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.57 2q3r h ASN 262 CO 0.02 0.18 0.70 0.50 -1.65 0.00 0.00 177.43 177.18 2q3r h LYS 263 N -0.14 0.14 0.00 0.81 3.11 -1.72 0.23 116.57 119.00 2q3r h LYS 263 Ca 0.01 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2q3r h LYS 263 Cb 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2q3r h LYS 263 CO -0.00 0.09 -0.29 1.88 -2.81 0.00 0.00 179.45 178.32 2q3r h TYR 264 N 0.14 0.00 -6.00 1.91 -1.99 -1.55 -3.48 116.97 106.00 2q3r h TYR 264 Ca 0.51 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.78 2q3r h TYR 264 Cb 1.74 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 40.42 2q3r h TYR 264 CO -0.00 0.00 -0.71 0.41 -0.00 0.00 0.00 178.16 177.86 2q3r n GLY 265 N 1.25 -0.49 3.91 3.88 0.00 0.79 -4.89 105.19 109.64 2q3r n GLY 265 Ca 0.04 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.21 2.74 0.08 -0.61 -4.36 -1.26 -4.39 121.20 110.20 2q3r s ILE 266 Ca 0.59 0.04 -0.28 0.00 -0.26 0.00 0.00 60.65 60.74 2q3r s ILE 266 Cb -0.30 -3.20 -0.16 0.00 1.25 0.00 0.00 42.46 40.06 2q3r s ILE 266 CO 0.73 -0.24 1.67 0.25 0.24 0.00 0.00 174.94 177.59 2q3r h LEU 267 N -0.67 -0.50 -8.10 0.37 5.85 0.18 -3.45 115.31 109.00 2q3r h LEU 267 Ca -0.45 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 2q3r h LEU 267 Cb 1.29 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 42.35 2q3r h LEU 267 CO 0.63 -0.32 -0.26 -0.72 -0.34 0.00 0.00 178.44 177.43 2q3r s TYR 268 N -6.11 0.38 -0.11 1.25 -0.85 -1.06 -2.68 117.35 108.17 2q3r s TYR 268 Ca -0.16 -0.73 -0.00 0.00 -0.52 0.00 0.00 57.07 55.66 2q3r s TYR 268 Cb 0.05 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.43 2q3r s TYR 268 CO 0.64 -0.80 -0.08 0.00 -1.52 0.00 0.00 175.55 173.79 2q3r s HIS 270 N 1.64 2.87 0.07 0.00 5.04 0.34 0.11 115.29 125.35 2q3r s HIS 270 Ca 0.04 -1.42 0.05 0.00 -1.54 0.00 0.00 55.06 52.19 2q3r s HIS 270 Cb -0.13 -1.99 -0.03 0.00 0.04 0.00 0.00 32.58 30.47 2q3r s HIS 270 CO -0.08 -0.72 -0.14 0.08 -2.34 0.00 0.00 174.74 171.54 2q3r s VAL 271 N 1.35 1.07 -0.19 0.89 1.01 0.30 -1.15 120.40 123.69 2q3r s VAL 271 Ca 0.05 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 2q3r s VAL 271 Cb -0.14 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2q3r s VAL 271 CO -0.09 -0.21 0.27 -0.63 0.00 0.00 0.00 175.10 174.44 2q3r s ILE 272 N -1.22 5.30 0.61 2.22 1.01 -0.87 0.02 121.20 128.27 2q3r s ILE 272 Ca -0.02 0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 2q3r s ILE 272 Cb -0.10 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2q3r s ILE 272 CO 0.02 0.35 1.11 -0.70 0.00 0.00 0.00 174.94 175.72 2q3r s GLU 273 N 0.78 3.07 0.86 2.79 2.56 0.19 -4.77 118.70 124.18 2q3r s GLU 273 Ca 0.14 1.44 -0.13 0.00 0.00 0.00 0.00 54.97 56.42 2q3r s GLU 273 Cb -0.13 -1.98 0.12 0.00 2.00 0.00 0.00 34.13 34.14 2q3r s GLU 273 CO 0.04 -1.05 1.23 0.00 -0.56 0.00 0.00 175.26 174.93 2q3r s ALA 274 N -2.16 2.49 -1.19 6.30 0.00 -1.26 -4.86 121.76 121.08 2q3r s ALA 274 Ca 0.68 -0.84 -0.21 0.00 0.00 0.00 0.00 51.96 51.60 2q3r s ALA 274 Cb -0.21 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2q3r s ALA 274 CO 0.36 -1.95 1.89 0.54 0.00 0.00 0.00 175.76 176.59 2q3r n ARG 275 N -3.48 2.16 0.00 0.00 1.74 -1.26 -5.10 116.66 110.71 2q3r n ARG 275 Ca 0.11 -2.67 0.00 0.00 -0.77 0.00 0.00 57.85 54.52 2q3r n ARG 275 Cb 0.60 -3.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.49 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 8.06 0.00 0.00 5.56 0.00 -1.26 -5.27 117.12 124.22 2q3r n MET 276 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.17 2q3r n MET 276 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.67 2q3r n MET 276 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 2q3r n HIS 287 N 0.00 0.00 0.09 3.17 -0.00 -1.26 -5.18 115.22 112.03 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 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.00 0.70 0.11 3.57 5.66 -1.26 -4.87 114.28 118.19 2q3r n THR 288 Ca 0.00 0.23 -0.18 0.00 -3.05 0.00 0.00 64.05 61.05 2q3r n THR 288 Cb 0.00 -1.12 -0.15 0.00 -1.55 0.00 0.00 70.33 67.51 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 0.53 -0.49 1.09 3.38 -1.99 -3.37 115.31 114.46 2q3r h LEU 289 Ca 0.00 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.47 2q3r h LEU 289 Cb 0.00 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.48 2q3r h LEU 289 CO 0.00 1.47 -0.14 0.24 0.09 0.00 0.00 178.44 180.11 2q3r h MET 290 N 0.09 -0.02 -0.83 1.13 2.86 -1.90 0.39 114.93 116.65 2q3r h MET 290 Ca -0.19 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.54 2q3r h MET 290 Cb 2.03 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.63 2q3r h MET 290 CO 0.21 -0.01 0.48 -1.35 1.06 0.00 0.00 176.91 177.30 2q3r h PRO 291 N -0.02 0.80 -0.30 -0.22 0.11 -1.90 0.57 132.00 131.04 2q3r h PRO 291 Ca 0.24 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 2q3r h PRO 291 Cb 0.38 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2q3r h PRO 291 CO -0.51 0.53 -0.04 0.52 -0.21 0.00 0.00 178.00 178.28 2q3r h MET 292 N 0.82 0.55 0.60 1.05 2.86 -1.30 -0.38 114.93 119.13 2q3r h MET 292 Ca 0.39 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2q3r h MET 292 Cb 0.33 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.96 2q3r h MET 292 CO -0.23 0.73 -0.29 -0.09 1.06 0.00 0.00 176.91 178.08 2q3r h ARG 293 N 0.32 -0.78 -1.00 1.72 9.65 0.61 0.29 114.38 125.20 2q3r h ARG 293 Ca 0.08 0.05 0.23 0.00 -1.10 0.00 0.00 59.98 59.24 2q3r h ARG 293 Cb 0.51 0.18 -0.09 0.00 -1.39 0.00 0.00 29.97 29.17 2q3r h ARG 293 CO 0.02 -0.52 0.64 0.87 2.80 0.00 0.00 179.97 183.78 2q3r h LYS 294 N -0.92 0.47 0.60 0.20 1.57 0.04 -1.84 116.57 116.69 2q3r h LYS 294 Ca -0.08 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2q3r h LYS 294 Cb 0.62 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.83 2q3r h LYS 294 CO 0.14 0.31 -0.29 0.00 -0.57 0.00 0.00 179.45 179.04 2q3r h ALA 295 N 1.63 -1.01 -2.47 3.86 0.00 -0.79 -3.43 119.26 117.05 2q3r h ALA 295 Ca 0.56 -0.18 -0.53 0.00 0.00 0.00 0.00 54.91 54.77 2q3r h ALA 295 Cb 1.28 0.31 0.03 0.00 0.00 0.00 0.00 17.79 19.41 2q3r h ALA 295 CO -0.29 -0.95 1.06 0.12 0.00 0.00 0.00 179.25 179.19 2q3r s PHE 296 N -4.43 2.23 0.13 0.00 5.36 0.99 -4.88 117.98 117.39 2q3r s PHE 296 Ca -0.12 0.13 0.04 0.00 -0.96 0.00 0.00 56.93 56.02 2q3r s PHE 296 Cb 0.01 -4.07 -0.14 0.00 -0.34 0.00 0.00 43.02 38.49 2q3r s PHE 296 CO 0.35 -4.39 1.30 0.87 -1.46 0.00 0.00 175.22 171.89 2q3r h LYS 297 N 8.60 0.10 0.00 10.12 1.79 -1.83 -3.46 116.57 131.88 2q3r h LYS 297 Ca -0.44 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2q3r h LYS 297 Cb 1.21 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2q3r h LYS 297 CO 0.94 1.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.72 2q3r n GLY 298 N 1.20 -1.01 3.75 3.86 0.00 -1.26 -5.00 105.19 106.73 2q3r n GLY 298 Ca -0.03 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.70 2.19 -0.04 2.61 2.01 -1.09 -4.86 115.64 115.76 2q3r s THR 299 Ca 0.00 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.20 2q3r s THR 299 Cb 0.00 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 2q3r s THR 299 CO 0.00 0.00 -0.19 0.12 -0.69 0.00 0.00 174.62 173.86 2q3r s PHE 300 N -1.32 1.82 -0.15 4.92 5.36 -1.26 -1.01 117.98 126.34 2q3r s PHE 300 Ca 0.70 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2q3r s PHE 300 Cb -0.39 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.11 2q3r s PHE 300 CO 0.47 -0.13 -0.14 0.42 -1.46 0.00 0.00 175.22 174.39 2q3r s ILE 301 N -0.14 1.52 0.05 3.12 1.01 0.30 -2.15 121.20 124.91 2q3r s ILE 301 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2q3r s ILE 301 Cb -0.11 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 2q3r s ILE 301 CO 0.01 0.45 0.07 -0.44 0.00 0.00 0.00 174.94 175.03 2q3r s SER 302 N 1.51 5.52 0.05 3.58 0.01 -1.16 0.11 113.70 123.33 2q3r s SER 302 Ca 0.05 0.03 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 2q3r s SER 302 Cb -0.13 -1.51 -0.00 0.00 0.21 0.00 0.00 66.02 64.59 2q3r s SER 302 CO -0.11 0.21 0.16 0.00 0.41 0.00 0.00 173.24 173.92 2q3r s ALA 303 N -1.30 -0.22 0.00 1.44 0.00 0.10 -2.93 121.76 118.85 2q3r s ALA 303 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2q3r s ALA 303 Cb -0.12 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2q3r s ALA 303 CO 0.18 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2q3r n GLY 304 N 0.44 1.42 2.47 0.00 0.00 -1.26 0.53 105.19 108.80 2q3r n GLY 304 Ca -0.17 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2q3r n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q3r n GLY 305 N 0.00 -0.50 3.77 -0.02 0.00 -1.26 -4.84 105.19 102.33 2q3r n GLY 305 Ca 0.00 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2q3r n GLY 305 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q3r s PHE 306 N -3.03 2.96 0.50 1.61 0.40 -1.26 -5.04 117.98 114.12 2q3r s PHE 306 Ca 0.03 1.49 0.08 0.00 -0.60 0.00 0.00 56.93 57.93 2q3r s PHE 306 Cb -0.01 -3.53 0.04 0.00 0.51 0.00 0.00 43.02 40.02 2q3r s PHE 306 CO 0.04 -1.68 0.55 0.95 0.70 0.00 0.00 175.22 175.78 2q3r s THR 307 N -1.33 2.26 0.09 0.64 -4.23 -1.26 -4.96 115.64 106.85 2q3r s THR 307 Ca 0.57 -1.22 -0.26 0.00 -1.18 0.00 0.00 61.69 59.59 2q3r s THR 307 Cb -0.34 -2.48 -0.15 0.00 1.34 0.00 0.00 72.50 70.86 2q3r s THR 307 CO 0.44 0.00 1.70 -0.09 -0.54 0.00 0.00 174.62 176.12 2q3r h ARG 308 N 0.62 -0.31 -0.57 3.99 2.43 -2.00 -2.26 114.38 116.27 2q3r h ARG 308 Ca -0.36 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 2q3r h ARG 308 Cb 1.29 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 2q3r h ARG 308 CO 0.50 -0.21 0.20 0.93 -1.51 0.00 0.00 179.97 179.88 2q3r h GLU 309 N -0.32 0.88 -0.64 0.20 3.07 -1.99 -1.94 114.58 113.83 2q3r h GLU 309 Ca -0.02 -0.18 0.12 0.00 -0.50 0.00 0.00 59.36 58.78 2q3r h GLU 309 Cb 0.26 -0.13 -0.09 0.00 -0.84 0.00 0.00 28.75 27.95 2q3r h GLU 309 CO 0.03 0.78 0.18 -0.44 -1.40 0.00 0.00 179.01 178.15 2q3r h ASP 310 N 0.80 0.08 0.25 1.42 3.32 -1.92 0.23 116.42 120.60 2q3r h ASP 310 Ca 0.19 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2q3r h ASP 310 Cb 0.25 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2q3r h ASP 310 CO -0.01 0.04 -0.12 1.23 -1.72 0.00 0.00 179.24 178.66 2q3r h GLY 311 N 0.31 -0.35 0.14 2.75 0.00 -1.10 -0.07 103.07 104.75 2q3r h GLY 311 Ca 0.34 0.13 0.13 0.00 0.00 0.00 0.00 47.33 47.93 2q3r h GLY 311 CO -0.40 -0.13 0.22 3.43 0.00 0.00 0.00 176.54 179.67 2q3r h ASN 312 N -0.62 0.14 0.33 0.19 2.35 -1.04 0.72 115.58 117.66 2q3r h ASN 312 Ca -0.03 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2q3r h ASN 312 Cb 0.44 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2q3r h ASN 312 CO 0.06 0.05 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.57 2q3r h GLU 313 N 0.35 -0.55 -0.91 0.81 4.57 -0.38 0.24 114.58 118.71 2q3r h GLU 313 Ca 0.38 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.65 2q3r h GLU 313 Cb 0.57 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 29.23 2q3r h GLU 313 CO -0.41 -0.37 0.59 0.00 -1.18 0.00 0.00 179.01 177.64 2q3r h ALA 314 N 0.04 1.49 0.37 2.92 0.00 -0.46 0.83 119.26 124.45 2q3r h ALA 314 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2q3r h ALA 314 Cb 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2q3r h ALA 314 CO 0.00 0.39 -0.18 0.28 0.00 0.00 0.00 179.25 179.74 2q3r h VAL 315 N 1.06 0.44 0.00 0.00 2.07 -0.48 0.73 116.25 120.06 2q3r h VAL 315 Ca 0.38 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2q3r h VAL 315 Cb 0.15 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2q3r h VAL 315 CO -0.14 0.09 -0.06 0.77 0.02 0.00 0.00 177.57 178.25 2q3r h SER 316 N -0.96 0.00 -0.08 0.57 4.64 -0.39 -0.94 113.55 116.38 2q3r h SER 316 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 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 0.08 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.40 2q3r n LYS 317 N -3.49 1.99 -1.31 4.77 4.76 0.27 -4.96 118.16 120.20 2q3r n LYS 317 Ca -0.02 -1.45 -0.11 0.00 -2.87 0.00 0.00 58.31 53.86 2q3r n LYS 317 Cb 0.19 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 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 1.26 1.16 0.05 0.72 0.00 -0.36 -4.89 105.19 103.14 2q3r n GLY 318 Ca 0.17 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.22 0.11 -3.48 1.61 5.12 0.19 -4.84 116.66 113.15 2q3r n ARG 319 Ca -0.11 0.18 -0.10 0.00 -1.93 0.00 0.00 57.85 55.89 2q3r n ARG 319 Cb 0.41 -1.65 -0.02 0.00 -1.16 0.00 0.00 32.46 30.03 2q3r n ARG 319 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2q3r s THR 320 N -3.08 0.00 -0.22 0.55 -1.32 -1.19 -4.90 115.64 105.47 2q3r s THR 320 Ca 0.10 -0.08 -0.18 0.00 -1.21 0.00 0.00 61.69 60.33 2q3r s THR 320 Cb 0.14 -1.09 -0.18 0.00 -1.51 0.00 0.00 72.50 69.86 2q3r s THR 320 CO 0.48 0.00 0.07 0.47 -2.21 0.00 0.00 174.62 173.42 2q3r n ASP 321 N -0.34 1.91 -4.42 8.08 8.00 -0.91 -4.39 116.55 124.48 2q3r n ASP 321 Ca -0.13 0.37 -0.20 0.00 0.71 0.00 0.00 54.79 55.53 2q3r n ASP 321 Cb 0.63 -0.90 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 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 -7.67 2.24 -0.05 0.64 1.43 -0.93 -4.93 118.68 109.41 2q3r s LEU 322 Ca -0.31 -1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 51.48 2q3r s LEU 322 Cb 0.08 -0.41 0.03 0.00 0.03 0.00 0.00 46.19 45.92 2q3r s LEU 322 CO 0.58 -0.53 0.02 -0.69 0.23 0.00 0.00 176.35 175.96 2q3r s VAL 323 N -3.27 0.20 -0.07 -1.59 1.01 -1.23 -2.96 120.40 112.49 2q3r s VAL 323 Ca 0.33 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 2q3r s VAL 323 Cb 0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 2q3r s VAL 323 CO 0.13 0.21 0.50 0.00 0.00 0.00 0.00 175.10 175.95 2q3r s ALA 324 N 1.80 3.50 -0.12 5.51 0.00 -1.15 -2.94 121.76 128.36 2q3r s ALA 324 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 2q3r s ALA 324 Cb -0.13 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 2q3r s ALA 324 CO -0.04 0.11 -0.12 0.71 0.00 0.00 0.00 175.76 176.42 2q3r s TYR 325 N 0.19 2.83 0.00 0.00 2.02 -1.23 -4.52 117.35 116.64 2q3r s TYR 325 Ca 0.27 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2q3r s TYR 325 Cb -0.16 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2q3r s TYR 325 CO 0.13 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.41 2q3r n GLY 326 N 3.29 -0.32 0.38 0.71 0.00 -1.26 -3.41 105.19 104.58 2q3r n GLY 326 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.59 -0.67 1.61 3.08 -1.98 0.39 114.38 116.22 2q3r h ARG 327 Ca 0.00 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.21 2q3r h ARG 327 Cb 0.00 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2q3r h ARG 327 CO 0.00 -0.39 0.45 -1.49 -1.07 0.00 0.00 179.97 177.47 2q3r h TRP 328 N -0.61 0.45 -0.01 3.04 -0.00 -1.95 0.39 115.95 117.26 2q3r h TRP 328 Ca 0.02 0.01 -0.22 0.00 -0.00 0.00 0.00 58.89 58.71 2q3r h TRP 328 Cb 0.63 -0.14 0.00 0.00 -0.00 0.00 0.00 29.16 29.65 2q3r h TRP 328 CO -0.31 0.20 -0.90 0.35 -0.00 0.00 0.00 178.44 177.77 2q3r h PHE 329 N 0.41 0.60 -0.30 0.49 3.04 -1.51 0.84 116.94 120.50 2q3r h PHE 329 Ca 0.32 -0.32 0.02 0.00 3.98 0.00 0.00 57.97 61.97 2q3r h PHE 329 Cb 0.68 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.10 2q3r h PHE 329 CO -0.00 1.13 0.14 1.25 -2.02 0.00 0.00 178.31 178.81 2q3r h LEU 330 N 0.24 0.20 -0.28 0.59 6.46 0.23 -3.02 115.31 119.73 2q3r h LEU 330 Ca -0.07 0.02 -0.20 0.00 -0.12 0.00 0.00 57.88 57.50 2q3r h LEU 330 Cb 1.53 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.44 2q3r h LEU 330 CO 0.16 0.15 -0.83 0.00 -0.62 0.00 0.00 178.44 177.30 2q3r h ALA 331 N 1.16 0.47 -3.03 1.25 0.00 -0.16 -3.42 119.26 115.54 2q3r h ALA 331 Ca 0.13 -0.66 -0.70 0.00 0.00 0.00 0.00 54.91 53.68 2q3r h ALA 331 Cb 0.06 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 17.48 2q3r h ALA 331 CO -0.10 0.79 -0.52 -0.80 0.00 0.00 0.00 179.25 178.62 2q3r s ASN 332 N -7.03 5.36 0.56 0.00 0.02 0.29 -4.56 114.94 109.59 2q3r s ASN 332 Ca -0.06 -1.90 0.25 0.00 -1.02 0.00 0.00 52.86 50.13 2q3r s ASN 332 Cb 0.10 -1.87 1.56 0.00 0.02 0.00 0.00 41.25 41.05 2q3r s ASN 332 CO 0.85 -0.55 2.15 1.55 0.02 0.00 0.00 177.10 181.12 2q3r h PRO 333 N 8.16 0.00 -0.61 -0.60 0.13 -1.81 -1.32 132.00 135.95 2q3r h PRO 333 Ca -0.16 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.60 2q3r h PRO 333 Cb 1.06 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.97 2q3r h PRO 333 CO 0.73 0.00 0.05 -0.40 -0.23 0.00 0.00 178.00 178.15 2q3r n ASP 334 N -4.10 3.84 -0.31 1.44 3.85 -1.26 -4.23 116.55 115.78 2q3r n ASP 334 Ca -0.00 -3.76 0.17 0.00 -0.71 0.00 0.00 54.79 50.48 2q3r n ASP 334 Cb 0.22 -0.67 0.33 0.00 -1.35 0.00 0.00 41.12 39.65 2q3r n ASP 334 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2q3r n LEU 335 N -1.03 -0.01 0.03 -2.12 7.94 -0.50 -0.19 117.00 121.11 2q3r n LEU 335 Ca 0.44 1.54 -0.11 0.00 -1.11 0.00 0.00 56.01 56.76 2q3r n LEU 335 Cb 1.06 -0.60 -0.06 0.00 0.53 0.00 0.00 43.42 44.35 2q3r n LEU 335 CO 0.38 -1.59 0.85 -0.65 -1.11 0.00 0.00 177.39 175.27 2q3r h PRO 336 N 0.00 -0.03 -0.68 1.96 0.11 -1.87 -1.16 132.00 130.33 2q3r h PRO 336 Ca 0.60 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.79 2q3r h PRO 336 Cb 1.34 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.39 2q3r h PRO 336 CO -0.82 -0.02 0.34 -0.22 -0.21 0.00 0.00 178.00 177.07 2q3r h LYS 337 N -0.03 0.58 0.16 1.05 1.63 -0.97 0.46 116.57 119.45 2q3r h LYS 337 Ca 0.02 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2q3r h LYS 337 Cb 0.06 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2q3r h LYS 337 CO -0.05 0.39 -0.08 0.00 -3.45 0.00 0.00 179.45 176.26 2q3r h ARG 338 N 0.60 -0.20 -0.05 1.90 3.08 -1.11 -1.50 114.38 117.09 2q3r h ARG 338 Ca 0.33 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.40 2q3r h ARG 338 Cb 0.31 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2q3r h ARG 338 CO -0.24 -0.09 0.08 0.74 -1.07 0.00 0.00 179.97 179.38 2q3r h PHE 339 N -0.26 0.00 -0.63 3.04 0.04 -0.51 1.06 116.94 119.67 2q3r h PHE 339 Ca -0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 2q3r h PHE 339 Cb 0.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 2q3r h PHE 339 CO -0.05 0.00 0.08 0.37 -0.60 0.00 0.00 178.31 178.11 2q3r h GLN 340 N 0.00 1.05 -0.06 1.51 4.15 0.15 -3.18 115.11 118.72 2q3r h GLN 340 Ca 0.02 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.16 2q3r h GLN 340 Cb 0.18 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2q3r h GLN 340 CO -0.00 0.97 0.00 0.28 -1.93 0.00 0.00 178.83 178.15 2q3r n VAL 341 N -4.21 1.69 -4.11 2.39 0.31 0.06 -4.98 118.33 109.48 2q3r n VAL 341 Ca 0.04 -1.84 -0.41 0.00 -0.01 0.00 0.00 64.34 62.12 2q3r n VAL 341 Cb 0.30 -0.02 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 2q3r n VAL 341 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2q3r n ASP 342 N -0.95 -2.77 -4.91 4.52 -0.08 0.34 -4.92 116.55 107.78 2q3r n ASP 342 Ca 0.13 -1.23 -0.27 0.00 -1.51 0.00 0.00 54.79 51.91 2q3r n ASP 342 Cb 0.58 -1.48 0.00 0.00 2.34 0.00 0.00 41.12 42.56 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 -3.78 3.40 0.56 -1.67 0.00 -0.48 -4.99 121.76 114.80 2q3r s ALA 343 Ca 0.36 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 2q3r s ALA 343 Cb -0.20 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2q3r s ALA 343 CO 0.92 -0.42 1.27 -1.25 0.00 0.00 0.00 175.76 176.29 2q3r s PRO 344 N -4.77 3.13 -0.01 0.00 0.04 -1.26 -4.79 135.00 127.34 2q3r s PRO 344 Ca 0.48 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.54 2q3r s PRO 344 Cb -0.10 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2q3r s PRO 344 CO 0.45 -1.13 0.06 -0.51 0.04 0.00 0.00 177.00 175.90 2q3r s LEU 345 N -3.70 3.80 0.56 -3.56 1.43 -1.26 -5.05 118.68 110.90 2q3r s LEU 345 Ca 0.73 0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.75 2q3r s LEU 345 Cb -0.35 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2q3r s LEU 345 CO 0.40 0.28 1.16 0.20 0.23 0.00 0.00 176.35 178.62 2q3r s ASN 346 N -1.66 5.55 0.43 2.29 0.01 -1.26 -5.00 114.94 115.30 2q3r s ASN 346 Ca 0.22 2.25 -0.22 0.00 -0.71 0.00 0.00 52.86 54.40 2q3r s ASN 346 Cb -0.12 -2.59 -0.10 0.00 0.41 0.00 0.00 41.25 38.86 2q3r s ASN 346 CO 0.13 -1.34 0.99 -0.54 -1.51 0.00 0.00 177.10 174.83 2q3r s LYS 347 N -3.29 4.12 -0.07 -0.60 1.02 -1.26 -4.74 119.74 114.91 2q3r s LYS 347 Ca 0.74 1.27 -0.19 0.00 0.02 0.00 0.00 55.97 57.81 2q3r s LYS 347 Cb -0.26 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2q3r s LYS 347 CO 0.29 -0.15 0.54 1.52 -0.92 0.00 0.00 175.35 176.63 2q3r s TYR 348 N -2.00 3.58 -1.32 3.18 -0.85 -1.26 -4.89 117.35 113.79 2q3r s TYR 348 Ca 0.62 1.03 -0.13 0.00 -0.52 0.00 0.00 57.07 58.08 2q3r s TYR 348 Cb -0.14 -2.59 0.11 0.00 0.38 0.00 0.00 41.96 39.72 2q3r s TYR 348 CO 0.18 0.23 1.87 -3.47 -1.52 0.00 0.00 175.55 172.84 2q3r n ASP 349 N 3.34 4.74 -0.40 -0.18 2.03 -1.26 -4.84 116.55 119.97 2q3r n ASP 349 Ca -0.06 -2.97 0.32 0.00 0.52 0.00 0.00 54.79 52.60 2q3r n ASP 349 Cb 0.51 -1.60 0.60 0.00 -0.72 0.00 0.00 41.12 39.92 2q3r n ASP 349 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2q3r h ARG 350 N 6.41 0.17 0.00 -0.67 1.12 -2.01 0.41 114.38 119.81 2q3r h ARG 350 Ca 0.44 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.29 2q3r h ARG 350 Cb 0.72 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.64 2q3r h ARG 350 CO 1.60 0.11 -0.05 -1.35 -3.11 0.00 0.00 179.97 177.17 2q3r h PRO 351 N 0.17 0.00 -0.37 0.20 0.11 -2.03 -2.77 132.00 127.31 2q3r h PRO 351 Ca 0.76 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.73 2q3r h PRO 351 Cb 2.23 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 33.26 2q3r h PRO 351 CO -0.40 0.05 0.01 0.25 -0.21 0.00 0.00 178.00 177.69 2q3r n THR 352 N -3.40 2.51 -0.06 -1.15 -2.24 0.14 -4.64 114.28 105.44 2q3r n THR 352 Ca -0.02 -2.35 -0.11 0.00 -2.27 0.00 0.00 64.05 59.29 2q3r n THR 352 Cb 0.18 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.05 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 1.32 0.35 -0.49 4.78 0.04 -1.45 -3.33 116.94 118.15 2q3r h PHE 353 Ca 0.17 -0.06 -0.26 0.00 2.80 0.00 0.00 57.97 60.63 2q3r h PHE 353 Cb 1.68 -0.09 -0.15 0.00 2.20 0.00 0.00 35.95 39.59 2q3r h PHE 353 CO 0.88 0.50 0.08 0.66 -0.60 0.00 0.00 178.31 179.83 2q3r n TYR 354 N -4.73 1.53 -1.98 -0.55 4.01 -1.26 -4.34 117.16 109.84 2q3r n TYR 354 Ca -0.05 -1.66 -0.30 0.00 -0.16 0.00 0.00 57.90 55.74 2q3r n TYR 354 Cb 0.21 -0.60 0.04 0.00 -0.31 0.00 0.00 39.34 38.69 2q3r n TYR 354 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2q3r s THR 355 N -3.26 3.61 -2.34 -0.72 2.01 -1.24 -4.66 115.64 109.03 2q3r s THR 355 Ca 0.47 0.42 0.21 0.00 0.31 0.00 0.00 61.69 63.11 2q3r s THR 355 Cb 0.42 -3.50 0.36 0.00 0.01 0.00 0.00 72.50 69.79 2q3r s THR 355 CO 0.02 -0.64 1.32 -1.54 -0.69 0.00 0.00 174.62 173.10 2q3r n SER 356 N -2.91 3.25 -4.76 3.53 3.41 -1.25 -4.33 113.62 110.57 2q3r n SER 356 Ca 0.06 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.37 2q3r n SER 356 Cb 0.57 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.47 5.35 0.32 4.04 2.15 -1.26 -4.79 116.67 121.01 2q3r s ASP 357 Ca 0.34 2.35 0.14 0.00 0.43 0.00 0.00 52.55 55.81 2q3r s ASP 357 Cb 0.21 -2.60 0.52 0.00 -0.30 0.00 0.00 42.92 40.75 2q3r s ASP 357 CO 0.29 -1.48 1.68 -0.65 -0.17 0.00 0.00 175.17 174.84 2q3r h PRO 358 N 1.02 0.00 0.00 4.34 0.11 -1.94 -3.39 132.00 132.14 2q3r h PRO 358 Ca -0.50 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2q3r h PRO 358 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2q3r h PRO 358 CO 0.56 0.50 -1.31 0.28 -0.21 0.00 0.00 178.00 177.82 2q3r n VAL 359 N -3.71 0.30 -1.68 3.15 0.31 -1.26 -4.57 118.33 110.88 2q3r n VAL 359 Ca -0.01 -0.09 -0.46 0.00 -0.01 0.00 0.00 64.34 63.77 2q3r n VAL 359 Cb 0.56 -1.27 -0.04 0.00 -0.91 0.00 0.00 33.84 32.17 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 -3.05 0.23 -1.52 2.52 0.31 -1.26 -1.00 118.33 114.55 2q3r n VAL 360 Ca -0.10 -0.04 -0.18 0.00 -0.01 0.00 0.00 64.34 64.01 2q3r n VAL 360 Cb 0.58 -1.71 -0.08 0.00 -0.91 0.00 0.00 33.84 31.73 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 3.82 1.70 1.08 2.92 0.00 -1.26 -4.70 105.19 108.75 2q3r n GLY 361 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.18 -0.04 -0.11 1.61 9.36 -0.17 -4.78 117.16 120.84 2q3r n TYR 362 Ca -0.18 0.01 0.06 0.00 3.32 0.00 0.00 57.90 61.11 2q3r n TYR 362 Cb 0.59 0.03 0.16 0.00 -0.63 0.00 0.00 39.34 39.49 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 -2.75 0.87 -0.09 2.97 -2.24 -0.83 -4.61 114.28 107.59 2q3r n THR 363 Ca 0.00 -0.94 0.09 0.00 -2.27 0.00 0.00 64.05 60.93 2q3r n THR 363 Cb 0.00 0.60 0.29 0.00 -2.10 0.00 0.00 70.33 69.11 2q3r n THR 363 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3r n ASP 364 N 0.67 3.65 -4.77 3.42 3.85 -1.23 -4.91 116.55 117.22 2q3r n ASP 364 Ca 0.12 -2.17 -0.38 0.00 -0.71 0.00 0.00 54.79 51.65 2q3r n ASP 364 Cb 0.43 -0.47 -0.04 0.00 -1.35 0.00 0.00 41.12 39.70 2q3r n ASP 364 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 2q3r s TYR 365 N -1.47 3.41 0.20 2.11 2.02 -1.26 -4.99 117.35 117.37 2q3r s TYR 365 Ca 0.42 1.68 -0.14 0.00 -0.37 0.00 0.00 57.07 58.66 2q3r s TYR 365 Cb 0.24 -3.17 -0.07 0.00 -0.40 0.00 0.00 41.96 38.56 2q3r s TYR 365 CO 0.25 -0.54 0.60 -1.25 -1.57 0.00 0.00 175.55 173.03 2q3r s PRO 366 N -2.07 3.97 0.73 -1.71 0.04 -1.26 -4.81 135.00 129.89 2q3r s PRO 366 Ca 0.52 0.50 -0.09 0.00 0.04 0.00 0.00 61.00 61.98 2q3r s PRO 366 Cb -0.26 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.56 2q3r s PRO 366 CO 0.32 0.38 1.07 -0.06 0.04 0.00 0.00 177.00 178.76 2q3r s PHE 367 N -1.63 2.98 0.00 0.56 0.40 -1.26 -4.58 117.98 114.44 2q3r s PHE 367 Ca 0.43 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.37 2q3r s PHE 367 Cb -0.14 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.14 2q3r s PHE 367 CO 0.20 -1.48 0.00 1.28 0.70 0.00 0.00 175.22 175.92 2q3r n LEU 368 N -3.04 0.00 0.00 -0.37 4.77 -1.26 -5.10 117.00 112.00 2q3r n LEU 368 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2q3r n LEU 368 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2q3r n LEU 368 CO 0.54 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.98