#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrs s ILE 2 N 0.00 2.87 0.66 2.46 2.07 -1.26 -4.84 121.20 123.16 2qrs s ILE 2 Ca 0.00 0.43 -0.12 0.00 -1.41 0.00 0.00 60.65 59.55 2qrs s ILE 2 Cb 0.00 -2.99 -0.01 0.00 0.13 0.00 0.00 42.46 39.59 2qrs s ILE 2 CO 0.00 -0.22 1.05 -0.51 -1.91 0.00 0.00 174.94 173.35 2qrs s ILE 3 N -2.12 4.09 -0.27 2.00 2.07 -1.26 -4.99 121.20 120.72 2qrs s ILE 3 Ca 0.71 0.76 -0.24 0.00 -1.41 0.00 0.00 60.65 60.47 2qrs s ILE 3 Cb -0.24 -3.47 -0.00 0.00 0.13 0.00 0.00 42.46 38.88 2qrs s ILE 3 CO 0.41 -0.81 0.79 0.54 -1.91 0.00 0.00 174.94 173.96 2qrs s ASN 4 N -3.59 6.74 0.48 4.50 4.22 -1.26 -5.02 114.94 121.01 2qrs s ASN 4 Ca 0.59 0.86 -0.20 0.00 -2.14 0.00 0.00 52.86 51.97 2qrs s ASN 4 Cb -0.14 -2.41 -0.09 0.00 1.28 0.00 0.00 41.25 39.89 2qrs s ASN 4 CO 0.50 -0.53 1.01 -0.36 -2.04 0.00 0.00 177.10 175.67 2qrs s PHE 5 N 2.84 3.13 -0.13 1.54 0.08 -1.26 -5.06 117.98 119.12 2qrs s PHE 5 Ca 0.33 1.57 -0.06 0.00 0.12 0.00 0.00 56.93 58.89 2qrs s PHE 5 Cb -0.15 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 2qrs s PHE 5 CO 0.09 -0.61 0.07 -2.00 -0.10 0.00 0.00 175.22 172.68 2qrs s GLU 6 N -3.38 3.48 0.49 0.44 2.56 -1.26 -4.97 118.70 116.06 2qrs s GLU 6 Ca 0.65 -0.28 -0.23 0.00 0.00 0.00 0.00 54.97 55.10 2qrs s GLU 6 Cb -0.14 -3.08 -0.07 0.00 2.00 0.00 0.00 34.13 32.84 2qrs s GLU 6 CO 0.21 0.59 1.21 1.63 -0.56 0.00 0.00 175.26 178.33 2qrs n LYS 7 N 2.55 1.60 0.11 4.30 5.02 -1.26 -4.90 118.16 125.57 2qrs n LYS 7 Ca -0.18 0.58 -0.03 0.00 -2.02 0.00 0.00 58.31 56.66 2qrs n LYS 7 Cb 0.54 -2.36 0.09 0.00 -0.02 0.00 0.00 35.03 33.28 2qrs n LYS 7 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qrs h LEU 8 N 1.53 0.02 0.17 -0.35 3.38 -1.97 -3.46 115.31 114.63 2qrs h LEU 8 Ca -0.48 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2qrs h LEU 8 Cb 1.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2qrs h LEU 8 CO 0.57 0.73 -0.03 0.61 0.09 0.00 0.00 178.44 180.41 2qrs n GLY 9 N 0.53 -0.03 3.37 0.83 0.00 -1.26 -4.37 105.19 104.26 2qrs n GLY 9 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2qrs n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qrs s GLY 10 N -0.59 1.46 0.00 -0.02 0.00 -1.26 -4.80 107.32 102.10 2qrs s GLY 10 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2qrs s GLY 10 CO 0.03 -0.52 0.00 0.61 0.00 0.00 0.00 173.10 173.22 2qrs n GLY 11 N 2.95 1.58 0.00 0.20 0.00 -1.25 -4.73 105.19 103.94 2qrs n GLY 11 Ca -0.18 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2qrs n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrs n ALA 12 N -0.16 0.00 -2.60 4.61 0.00 -1.26 -4.91 120.51 116.18 2qrs n ALA 12 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2qrs n ALA 12 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2qrs n ALA 12 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qrs s SER 13 N 0.00 6.55 0.00 0.00 0.01 -1.26 -3.67 113.70 115.32 2qrs s SER 13 Ca 0.00 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2qrs s SER 13 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2qrs s SER 13 CO 0.00 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2qrs n GLY 14 N 4.34 2.06 3.10 3.44 0.00 -1.26 -4.97 105.19 111.91 2qrs n GLY 14 Ca 0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 2qrs n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qrs s GLY 15 N 0.00 1.01 -0.12 -0.02 0.00 -1.26 -4.87 107.32 102.05 2qrs s GLY 15 Ca 0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 44.72 43.75 2qrs s GLY 15 CO 0.00 -0.05 1.11 -0.32 0.00 0.00 0.00 173.10 173.84 2qrs s GLY 16 N 0.55 -0.35 -0.38 0.20 0.00 -1.14 -4.66 107.32 101.55 2qrs s GLY 16 Ca -0.16 1.37 0.06 0.00 0.00 0.00 0.00 44.72 45.99 2qrs s GLY 16 CO 0.06 0.45 0.51 -0.32 0.00 0.00 0.00 173.10 173.80 2qrs s GLY 17 N -2.31 -0.75 -0.07 0.20 0.00 -1.24 -3.28 107.32 99.88 2qrs s GLY 17 Ca 0.08 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.45 2qrs s GLY 17 CO -0.06 3.27 0.72 1.76 0.00 0.00 0.00 173.10 178.79 2qrs h SER 18 N 7.19 0.45 0.00 1.64 0.02 -1.71 -3.47 113.55 117.66 2qrs h SER 18 Ca 0.03 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 2qrs h SER 18 Cb 1.13 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2qrs h SER 18 CO 0.15 1.54 0.00 0.61 -1.14 0.00 0.00 176.83 177.99 2qrs n GLY 19 N 1.71 4.81 0.17 -3.77 0.00 -1.26 -5.02 105.19 101.83 2qrs n GLY 19 Ca -0.20 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.56 2qrs n GLY 19 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qrs h GLY 20 N 0.00 0.00 0.00 -0.02 0.00 -1.89 -3.44 103.07 97.72 2qrs h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qrs h GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2qrs n GLY 21 N -0.06 1.75 2.63 4.60 0.00 -1.26 -4.80 105.19 108.05 2qrs n GLY 21 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2qrs n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrs n GLY 22 N 0.00 3.46 3.43 -0.02 0.00 -1.26 -4.61 105.19 106.20 2qrs n GLY 22 Ca 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 46.02 43.58 2qrs n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qrs s SER 23 N -3.09 -0.55 0.23 1.61 1.04 -1.26 -5.05 113.70 106.63 2qrs s SER 23 Ca 0.07 1.02 -0.30 0.00 0.48 0.00 0.00 55.95 57.22 2qrs s SER 23 Cb -0.01 1.04 -0.09 0.00 0.10 0.00 0.00 66.02 67.06 2qrs s SER 23 CO 0.04 -0.22 1.24 -0.63 0.98 0.00 0.00 173.24 174.65 2qrs s ILE 1 N 0.13 3.28 0.18 -1.02 1.01 -1.26 -5.03 121.20 118.48 2qrs s ILE 1 Ca -0.01 1.13 0.08 0.00 0.00 0.00 0.00 60.65 61.84 2qrs s ILE 1 Cb -0.04 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2qrs s ILE 1 CO 0.01 0.20 -0.03 -1.10 0.00 0.00 0.00 174.94 174.03 2qrs s GLN 2 N -0.64 2.31 -0.08 2.79 -0.21 -1.26 -4.83 119.66 117.75 2qrs s GLN 2 Ca 0.52 -1.15 0.05 0.00 0.02 0.00 0.00 55.36 54.80 2qrs s GLN 2 Cb -0.35 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.35 2qrs s GLN 2 CO 0.41 0.45 -0.23 0.15 -2.12 0.00 0.00 175.29 173.95 2qrs s LYS 3 N -2.91 2.79 0.14 2.91 1.02 0.38 -4.96 119.74 119.11 2qrs s LYS 3 Ca 0.27 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 2qrs s LYS 3 Cb -0.09 -2.27 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 2qrs s LYS 3 CO 0.18 0.32 1.13 0.99 -0.92 0.00 0.00 175.35 177.05 2qrs s THR 4 N 0.00 3.90 0.38 2.17 2.01 -1.26 -2.45 115.64 120.39 2qrs s THR 4 Ca -0.08 1.55 -0.26 0.00 0.31 0.00 0.00 61.69 63.21 2qrs s THR 4 Cb -0.15 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 2qrs s THR 4 CO 0.05 0.22 1.21 -2.16 -0.69 0.00 0.00 174.62 173.25 2qrs s PRO 5 N 0.04 4.12 0.00 4.92 0.04 -1.26 -4.37 135.00 138.49 2qrs s PRO 5 Ca 0.52 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2qrs s PRO 5 Cb -0.30 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2qrs s PRO 5 CO 0.34 -0.30 0.05 -0.65 0.04 0.00 0.00 177.00 176.48 2qrs s GLN 6 N -2.15 2.95 -0.02 4.56 -0.21 0.44 -4.93 119.66 120.30 2qrs s GLN 6 Ca 0.55 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.41 2qrs s GLN 6 Cb -0.33 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 30.89 2qrs s GLN 6 CO 0.43 0.64 -0.06 0.42 -2.12 0.00 0.00 175.29 174.59 2qrs s ILE 7 N -1.16 0.55 -0.02 1.08 1.01 -1.26 -1.20 121.20 120.19 2qrs s ILE 7 Ca 0.22 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2qrs s ILE 7 Cb -0.12 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.86 2qrs s ILE 7 CO 0.13 0.17 -0.12 -1.10 0.00 0.00 0.00 174.94 174.02 2qrs s GLN 8 N 0.11 1.13 -0.13 2.79 -0.21 -0.72 -5.00 119.66 117.64 2qrs s GLN 8 Ca -0.01 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 54.94 2qrs s GLN 8 Cb -0.06 -1.06 0.02 0.00 1.00 0.00 0.00 33.01 32.91 2qrs s GLN 8 CO -0.00 0.22 -0.13 0.08 -2.12 0.00 0.00 175.29 173.34 2qrs s VAL 9 N -0.09 1.45 0.10 1.09 1.01 -1.26 -0.97 120.40 121.73 2qrs s VAL 9 Ca 0.01 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 2qrs s VAL 9 Cb -0.07 -1.36 0.08 0.00 0.00 0.00 0.00 36.38 35.02 2qrs s VAL 9 CO 0.00 0.44 0.66 -0.72 0.00 0.00 0.00 175.10 175.48 2qrs s TYR 10 N 1.40 -0.52 0.39 5.22 1.13 -0.67 -4.53 117.35 119.77 2qrs s TYR 10 Ca 0.02 0.43 -0.07 0.00 -1.41 0.00 0.00 57.07 56.03 2qrs s TYR 10 Cb -0.13 0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 2qrs s TYR 10 CO -0.08 -0.76 0.71 -1.54 -2.51 0.00 0.00 175.55 171.37 2qrs s SER 11 N -2.46 6.43 0.07 -0.18 1.04 -1.26 -0.08 113.70 117.25 2qrs s SER 11 Ca -0.00 0.95 -0.17 0.00 0.48 0.00 0.00 55.95 57.20 2qrs s SER 11 Cb -0.01 -2.25 -0.13 0.00 0.10 0.00 0.00 66.02 63.74 2qrs s SER 11 CO -0.09 -0.39 1.34 -0.09 0.98 0.00 0.00 173.24 175.00 2qrs h ARG 12 N 1.09 0.55 -6.31 4.02 2.43 -1.21 -3.45 114.38 111.49 2qrs h ARG 12 Ca -0.47 -0.33 -0.59 0.00 -0.81 0.00 0.00 59.98 57.78 2qrs h ARG 12 Cb 1.19 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.66 2qrs h ARG 12 CO 0.64 0.93 -0.67 -1.01 -1.51 0.00 0.00 179.97 178.35 2qrs s HIS 13 N -4.14 2.72 0.15 2.20 3.76 -1.26 -4.99 115.29 113.73 2qrs s HIS 13 Ca -0.13 -0.20 -0.34 0.00 -0.15 0.00 0.00 55.06 54.24 2qrs s HIS 13 Cb 0.07 -1.27 -0.15 0.00 1.11 0.00 0.00 32.58 32.34 2qrs s HIS 13 CO 0.81 0.56 1.44 -2.30 -0.85 0.00 0.00 174.74 174.40 2qrs n PRO 14 N -0.42 1.73 -2.34 8.40 -0.02 -1.26 -4.86 135.00 136.23 2qrs n PRO 14 Ca -0.09 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2qrs n PRO 14 Cb 0.57 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 2qrs n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2qrs s PRO 15 N 0.44 4.32 -0.12 0.52 0.04 -1.26 -5.02 135.00 133.92 2qrs s PRO 15 Ca 0.78 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 63.64 2qrs s PRO 15 Cb -0.77 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.24 2qrs s PRO 15 CO 0.44 -0.50 -0.09 -1.21 0.04 0.00 0.00 177.00 175.67 2qrs s GLU 16 N 2.24 1.73 0.11 4.56 2.02 -1.26 -5.09 118.70 123.00 2qrs s GLU 16 Ca 0.60 -0.33 -0.35 0.00 0.02 0.00 0.00 54.97 54.91 2qrs s GLU 16 Cb -0.28 -1.73 -0.14 0.00 0.10 0.00 0.00 34.13 32.08 2qrs s GLU 16 CO 0.24 -0.26 1.57 0.09 0.02 0.00 0.00 175.26 176.93 2qrs n ASN 17 N 4.90 2.84 0.00 -0.19 3.02 -1.26 -1.32 115.26 123.25 2qrs n ASN 17 Ca -0.14 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 2qrs n ASN 17 Cb 0.50 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 2qrs n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrs n GLY 18 N 3.38 1.04 3.45 7.41 0.00 -0.06 -4.99 105.19 115.41 2qrs n GLY 18 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2qrs n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrs s LYS 19 N -0.59 3.66 0.43 1.61 -0.14 -0.43 -4.99 119.74 119.29 2qrs s LYS 19 Ca 0.00 -0.47 -0.24 0.00 -1.36 0.00 0.00 55.97 53.90 2qrs s LYS 19 Cb 0.00 -3.32 -0.10 0.00 -1.68 0.00 0.00 37.83 32.72 2qrs s LYS 19 CO 0.00 -0.18 1.00 -0.35 -0.76 0.00 0.00 175.35 175.06 2qrs n PRO 20 N 4.91 1.32 -1.14 -1.68 -0.04 -1.26 -4.32 135.00 132.78 2qrs n PRO 20 Ca -0.16 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2qrs n PRO 20 Cb 0.51 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 2qrs n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2qrs n ASN 21 N 0.48 0.00 -4.04 3.54 2.85 0.32 -4.95 115.26 113.46 2qrs n ASN 21 Ca 0.10 -0.85 -0.23 0.00 -0.11 0.00 0.00 54.58 53.49 2qrs n ASN 21 Cb 0.39 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.25 2qrs n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2qrs s ILE 22 N -2.60 1.03 -0.15 -1.44 1.09 -1.26 -1.34 121.20 116.53 2qrs s ILE 22 Ca 0.00 -0.48 -0.05 0.00 -1.10 0.00 0.00 60.65 59.03 2qrs s ILE 22 Cb 0.00 -0.91 -0.03 0.00 -1.06 0.00 0.00 42.46 40.45 2qrs s ILE 22 CO 0.00 0.31 0.01 -0.22 -0.10 0.00 0.00 174.94 174.94 2qrs s LEU 23 N 0.27 3.53 0.10 2.97 2.96 0.75 -0.76 118.68 128.51 2qrs s LEU 23 Ca -0.06 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 2qrs s LEU 23 Cb -0.11 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2qrs s LEU 23 CO 0.02 0.22 -0.04 0.20 -1.32 0.00 0.00 176.35 175.42 2qrs s ASN 24 N 0.09 4.75 -0.30 3.68 0.01 0.88 -1.07 114.94 122.98 2qrs s ASN 24 Ca 0.02 -0.28 -0.02 0.00 -0.71 0.00 0.00 52.86 51.87 2qrs s ASN 24 Cb -0.13 -1.03 0.10 0.00 0.41 0.00 0.00 41.25 40.59 2qrs s ASN 24 CO 0.02 0.17 0.11 0.00 -1.51 0.00 0.00 177.10 175.88 2qrs s TYR 26 N 1.79 3.22 -0.15 0.00 5.04 -0.14 -0.58 117.35 126.53 2qrs s TYR 26 Ca 0.09 0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2qrs s TYR 26 Cb -0.17 -2.65 -0.01 0.00 0.35 0.00 0.00 41.96 39.48 2qrs s TYR 26 CO -0.28 -0.36 -0.10 0.08 -1.34 0.00 0.00 175.55 173.55 2qrs s VAL 27 N 2.07 3.22 0.32 3.14 1.01 -0.26 -1.75 120.40 128.15 2qrs s VAL 27 Ca 0.13 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2qrs s VAL 27 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2qrs s VAL 27 CO 0.11 0.50 0.18 0.42 0.00 0.00 0.00 175.10 176.32 2qrs s THR 28 N 0.57 0.26 -1.94 3.92 -4.23 -0.34 -0.92 115.64 112.97 2qrs s THR 28 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2qrs s THR 28 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2qrs s THR 28 CO 0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 2qrs n GLN 29 N -0.61 -1.58 -4.13 3.99 1.13 -0.89 -0.42 117.38 114.86 2qrs n GLN 29 Ca 0.02 1.09 -0.24 0.00 -1.94 0.00 0.00 57.00 55.93 2qrs n GLN 29 Cb 0.64 -5.60 -0.05 0.00 0.11 0.00 0.00 30.24 25.34 2qrs n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2qrs s PHE 30 N -2.85 3.05 -0.28 1.08 -0.71 -1.15 -4.18 117.98 112.93 2qrs s PHE 30 Ca 0.00 -0.10 -0.19 0.00 -1.04 0.00 0.00 56.93 55.60 2qrs s PHE 30 Cb 0.00 -1.41 0.12 0.00 -1.21 0.00 0.00 43.02 40.52 2qrs s PHE 30 CO 0.00 0.53 0.89 -1.58 -1.34 0.00 0.00 175.22 173.73 2qrs s HIS 31 N -2.01 -0.69 1.13 3.49 2.46 -1.03 -1.01 115.29 117.63 2qrs s HIS 31 Ca 0.32 1.47 -0.12 0.00 0.47 0.00 0.00 55.06 57.19 2qrs s HIS 31 Cb -0.08 0.41 0.26 0.00 -0.13 0.00 0.00 32.58 33.04 2qrs s HIS 31 CO 0.23 -0.34 1.00 -0.35 -2.47 0.00 0.00 174.74 172.82 2qrs n PRO 32 N 3.33 -2.11 0.20 2.88 -0.04 -1.26 -0.47 135.00 137.53 2qrs n PRO 32 Ca -0.17 -0.58 0.04 0.00 -0.04 0.00 0.00 63.50 62.75 2qrs n PRO 32 Cb 0.57 -2.19 0.40 0.00 -0.04 0.00 0.00 33.50 32.24 2qrs n PRO 32 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2qrs h PRO 33 N -2.54 0.00 -6.57 0.54 0.13 -1.99 -3.44 132.00 118.13 2qrs h PRO 33 Ca -0.58 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.02 2qrs h PRO 33 Cb 1.32 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.50 2qrs h PRO 33 CO 0.47 0.34 1.01 -1.58 -0.23 0.00 0.00 178.00 178.01 2qrs s HIS 34 N -4.17 2.65 -0.05 1.56 2.46 -1.26 -4.97 115.29 111.51 2qrs s HIS 34 Ca -0.03 0.30 -0.24 0.00 0.47 0.00 0.00 55.06 55.56 2qrs s HIS 34 Cb 0.14 -4.07 0.05 0.00 -0.13 0.00 0.00 32.58 28.57 2qrs s HIS 34 CO 0.71 -4.19 0.54 -1.50 -2.47 0.00 0.00 174.74 167.84 2qrs s ILE 35 N 1.84 0.02 -0.11 0.89 2.07 -1.26 -4.69 121.20 119.95 2qrs s ILE 35 Ca 0.75 -0.16 0.03 0.00 -1.41 0.00 0.00 60.65 59.86 2qrs s ILE 35 Cb -0.46 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.29 2qrs s ILE 35 CO 0.33 -0.09 -0.23 -1.61 -1.91 0.00 0.00 174.94 171.43 2qrs s GLU 36 N -1.09 3.05 -0.05 3.50 2.02 -0.64 -5.00 118.70 120.49 2qrs s GLU 36 Ca -0.11 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.04 2qrs s GLU 36 Cb -0.02 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.86 2qrs s GLU 36 CO 0.07 0.11 -0.13 0.42 0.02 0.00 0.00 175.26 175.75 2qrs s ILE 37 N 0.51 1.15 0.04 -1.63 1.01 -1.26 -0.65 121.20 120.37 2qrs s ILE 37 Ca -0.15 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2qrs s ILE 37 Cb -0.17 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2qrs s ILE 37 CO 0.05 0.35 -0.10 -1.10 0.00 0.00 0.00 174.94 174.13 2qrs s GLN 38 N 0.34 0.69 -0.07 2.79 -0.21 -0.21 -4.99 119.66 118.00 2qrs s GLN 38 Ca -0.08 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 54.65 2qrs s GLN 38 Cb -0.13 -0.61 -0.02 0.00 1.00 0.00 0.00 33.01 33.26 2qrs s GLN 38 CO 0.02 0.14 -0.17 -1.64 -2.12 0.00 0.00 175.29 171.52 2qrs s MET 39 N -1.20 2.75 0.04 2.91 -1.94 -1.26 0.20 119.30 120.80 2qrs s MET 39 Ca -0.03 -0.76 0.08 0.00 -1.71 0.00 0.00 55.69 53.28 2qrs s MET 39 Cb -0.08 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 2qrs s MET 39 CO 0.01 0.44 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.71 2qrs s LEU 40 N -0.28 2.30 -0.24 -0.03 1.43 0.70 -0.52 118.68 122.04 2qrs s LEU 40 Ca 0.01 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2qrs s LEU 40 Cb -0.13 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.77 2qrs s LEU 40 CO 0.03 0.27 -0.12 -0.75 0.23 0.00 0.00 176.35 176.00 2qrs s LYS 41 N -1.23 2.59 -1.51 1.70 2.20 0.04 -1.16 119.74 122.37 2qrs s LYS 41 Ca 0.12 -1.12 -0.13 0.00 -0.36 0.00 0.00 55.97 54.49 2qrs s LYS 41 Cb -0.10 -2.84 0.08 0.00 -1.51 0.00 0.00 37.83 33.46 2qrs s LYS 41 CO 0.03 -0.43 0.96 0.09 -0.36 0.00 0.00 175.35 175.63 2qrs n ASN 42 N 4.55 -4.98 0.00 1.43 3.02 0.94 -1.28 115.26 118.94 2qrs n ASN 42 Ca -0.16 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 2qrs n ASN 42 Cb 0.45 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 2qrs n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrs n GLY 43 N -1.68 0.87 3.50 7.41 0.00 -1.26 -5.03 105.19 108.99 2qrs n GLY 43 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2qrs n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qrs s LYS 44 N -0.07 2.90 0.17 1.61 2.47 -0.40 -5.05 119.74 121.36 2qrs s LYS 44 Ca 0.00 -0.61 -0.33 0.00 -1.56 0.00 0.00 55.97 53.47 2qrs s LYS 44 Cb 0.00 -2.57 -0.13 0.00 -1.46 0.00 0.00 37.83 33.66 2qrs s LYS 44 CO 0.00 0.52 1.64 1.63 0.16 0.00 0.00 175.35 179.31 2qrs n LYS 45 N 2.63 2.37 -2.92 4.03 5.02 -1.26 -0.78 118.16 127.25 2qrs n LYS 45 Ca -0.18 0.86 -0.42 0.00 -2.02 0.00 0.00 58.31 56.55 2qrs n LYS 45 Cb 0.53 -2.66 -0.05 0.00 -0.02 0.00 0.00 35.03 32.83 2qrs n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qrs s ILE 46 N 1.16 4.72 0.11 -0.18 1.01 0.32 -4.85 121.20 123.48 2qrs s ILE 46 Ca 0.78 1.02 -0.30 0.00 0.00 0.00 0.00 60.65 62.15 2qrs s ILE 46 Cb -0.62 -4.22 -0.11 0.00 0.01 0.00 0.00 42.46 37.52 2qrs s ILE 46 CO 0.36 -0.41 1.61 1.55 0.00 0.00 0.00 174.94 178.05 2qrs h PRO 47 N 8.39 -0.64 -4.27 2.79 0.13 -1.92 -3.38 132.00 133.10 2qrs h PRO 47 Ca -0.24 0.04 -0.75 0.00 -0.87 0.00 0.00 66.00 64.18 2qrs h PRO 47 Cb 1.09 0.15 -0.23 0.00 0.13 0.00 0.00 31.00 32.14 2qrs h PRO 47 CO 0.92 -0.43 0.42 0.15 -0.23 0.00 0.00 178.00 178.83 2qrs s LYS 48 N -5.98 3.65 -0.20 0.86 3.01 -1.26 -4.99 119.74 114.84 2qrs s LYS 48 Ca -0.16 -2.26 -0.03 0.00 -1.01 0.00 0.00 55.97 52.50 2qrs s LYS 48 Cb 0.07 -4.63 -0.01 0.00 -1.01 0.00 0.00 37.83 32.25 2qrs s LYS 48 CO 0.63 -1.47 -0.05 0.08 0.51 0.00 0.00 175.35 175.05 2qrs s VAL 49 N 1.02 3.44 0.24 3.17 1.01 -1.26 -4.67 120.40 123.35 2qrs s VAL 49 Ca 0.25 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 2qrs s VAL 49 Cb -0.08 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 2qrs s VAL 49 CO -0.09 0.45 0.55 -1.61 0.00 0.00 0.00 175.10 174.40 2qrs s GLU 50 N 1.11 3.76 -0.09 2.72 2.02 0.07 -4.91 118.70 123.38 2qrs s GLU 50 Ca 0.01 0.21 0.03 0.00 0.02 0.00 0.00 54.97 55.24 2qrs s GLU 50 Cb -0.15 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.45 2qrs s GLU 50 CO -0.01 0.29 -0.18 -1.64 0.02 0.00 0.00 175.26 173.74 2qrs s MET 51 N -3.00 2.41 0.87 1.61 -1.94 -1.26 -1.36 119.30 116.63 2qrs s MET 51 Ca 0.47 -0.65 -0.11 0.00 -1.71 0.00 0.00 55.69 53.68 2qrs s MET 51 Cb -0.11 -1.92 0.11 0.00 2.01 0.00 0.00 34.83 34.92 2qrs s MET 51 CO 0.24 0.06 1.09 -1.54 -0.01 0.00 0.00 175.02 174.86 2qrs s SER 52 N 0.62 3.78 0.64 3.03 1.04 0.04 -4.99 113.70 117.87 2qrs s SER 52 Ca -0.14 1.45 -0.15 0.00 0.48 0.00 0.00 55.95 57.58 2qrs s SER 52 Cb -0.16 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 2qrs s SER 52 CO 0.04 -2.44 1.11 -1.81 0.98 0.00 0.00 173.24 171.12 2qrs s ASP 53 N -3.55 5.23 0.28 7.02 1.01 -1.26 -4.69 116.67 120.71 2qrs s ASP 53 Ca 0.63 2.00 -0.16 0.00 0.71 0.00 0.00 52.55 55.72 2qrs s ASP 53 Cb -0.17 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.12 2qrs s ASP 53 CO 0.56 -1.55 0.72 -0.32 0.21 0.00 0.00 175.17 174.79 2qrs s MET 54 N -4.03 4.09 0.33 8.23 1.75 -1.26 -4.73 119.30 123.67 2qrs s MET 54 Ca 0.67 0.73 0.05 0.00 -1.25 0.00 0.00 55.69 55.89 2qrs s MET 54 Cb -0.20 -2.61 -0.03 0.00 2.84 0.00 0.00 34.83 34.82 2qrs s MET 54 CO 0.40 0.26 0.21 -1.12 -0.65 0.00 0.00 175.02 174.11 2qrs s SER 55 N -2.03 1.75 0.05 1.11 0.01 -1.05 -5.02 113.70 108.51 2qrs s SER 55 Ca 0.49 -1.67 -0.04 0.00 1.31 0.00 0.00 55.95 56.05 2qrs s SER 55 Cb -0.13 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 2qrs s SER 55 CO 0.19 -0.98 0.04 0.72 0.41 0.00 0.00 173.24 173.62 2qrs s PHE 56 N -3.49 0.35 0.57 2.43 -0.12 -1.26 -1.65 117.98 114.80 2qrs s PHE 56 Ca 0.36 -0.79 0.07 0.00 -0.05 0.00 0.00 56.93 56.52 2qrs s PHE 56 Cb 0.03 -0.25 0.07 0.00 -0.63 0.00 0.00 43.02 42.24 2qrs s PHE 56 CO 0.21 -0.39 0.60 -1.54 -0.05 0.00 0.00 175.22 174.05 2qrs s SER 57 N -2.60 4.84 0.47 1.98 1.04 0.40 -4.95 113.70 114.88 2qrs s SER 57 Ca 0.02 -1.08 0.26 0.00 0.48 0.00 0.00 55.95 55.63 2qrs s SER 57 Cb 0.04 0.42 1.30 0.00 0.10 0.00 0.00 66.02 67.88 2qrs s SER 57 CO -0.08 -1.25 1.84 0.11 0.98 0.00 0.00 173.24 174.83 2qrs h LYS 58 N 0.44 0.19 -0.42 4.02 1.57 -2.03 0.53 116.57 120.88 2qrs h LYS 58 Ca -0.33 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2qrs h LYS 58 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2qrs h LYS 58 CO 0.49 0.13 0.00 -0.40 -0.57 0.00 0.00 179.45 179.10 2qrs n ASP 59 N -4.40 1.92 0.00 0.86 5.75 -1.26 -4.90 116.55 114.51 2qrs n ASP 59 Ca 0.21 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 2qrs n ASP 59 Cb 0.92 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2qrs n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2qrs n TRP 60 N 0.36 0.00 -2.87 2.11 5.03 0.19 -4.99 117.44 117.27 2qrs n TRP 60 Ca 0.10 0.00 -0.35 0.00 3.03 0.00 0.00 57.50 60.29 2qrs n TRP 60 Cb 0.34 -0.02 -0.07 0.00 -1.03 0.00 0.00 31.31 30.54 2qrs n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2qrs s SER 61 N -3.82 7.08 0.45 -0.99 1.04 -1.26 -4.63 113.70 111.58 2qrs s SER 61 Ca 0.00 1.68 -0.03 0.00 0.48 0.00 0.00 55.95 58.07 2qrs s SER 61 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2qrs s SER 61 CO 0.00 -0.20 0.73 -0.36 0.98 0.00 0.00 173.24 174.39 2qrs s PHE 62 N -1.89 3.49 -0.00 5.02 0.40 -0.18 -0.45 117.98 124.37 2qrs s PHE 62 Ca 0.55 0.63 -0.17 0.00 -0.60 0.00 0.00 56.93 57.34 2qrs s PHE 62 Cb -0.13 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.19 2qrs s PHE 62 CO 0.18 -0.23 0.37 1.52 0.70 0.00 0.00 175.22 177.76 2qrs s TYR 63 N -2.64 -0.24 0.01 0.36 1.13 -0.66 -2.10 117.35 113.21 2qrs s TYR 63 Ca 0.46 0.33 -0.23 0.00 -1.41 0.00 0.00 57.07 56.22 2qrs s TYR 63 Cb -0.10 0.16 0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2qrs s TYR 63 CO 0.42 -0.46 0.52 -1.50 -2.51 0.00 0.00 175.55 172.02 2qrs s ILE 64 N -1.67 0.03 -0.20 -3.49 2.07 -0.09 -2.54 121.20 115.30 2qrs s ILE 64 Ca -0.11 -0.23 -0.02 0.00 -1.41 0.00 0.00 60.65 58.88 2qrs s ILE 64 Cb -0.03 -0.92 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 2qrs s ILE 64 CO 0.03 -0.13 -0.10 -0.22 -1.91 0.00 0.00 174.94 172.62 2qrs s LEU 65 N -1.66 2.66 -0.04 8.50 2.96 -1.26 -1.10 118.68 128.74 2qrs s LEU 65 Ca -0.08 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2qrs s LEU 65 Cb -0.01 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2qrs s LEU 65 CO 0.02 0.01 0.03 0.00 -1.32 0.00 0.00 176.35 175.09 2qrs s ALA 66 N 1.29 3.39 0.08 5.97 0.00 0.26 -0.78 121.76 131.97 2qrs s ALA 66 Ca 0.04 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2qrs s ALA 66 Cb -0.14 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2qrs s ALA 66 CO -0.05 0.63 0.36 -3.38 0.00 0.00 0.00 175.76 173.32 2qrs s HIS 67 N -1.03 -0.16 0.02 0.00 -3.43 -0.47 0.44 115.29 110.67 2qrs s HIS 67 Ca 0.17 -0.05 -0.14 0.00 -0.80 0.00 0.00 55.06 54.24 2qrs s HIS 67 Cb -0.12 0.18 0.02 0.00 -1.43 0.00 0.00 32.58 31.23 2qrs s HIS 67 CO 0.07 -0.60 0.30 -0.08 -2.00 0.00 0.00 174.74 172.43 2qrs s THR 68 N -3.17 0.07 0.35 -5.38 -1.32 -0.23 -0.75 115.64 105.22 2qrs s THR 68 Ca -0.01 -0.60 -0.23 0.00 -1.21 0.00 0.00 61.69 59.64 2qrs s THR 68 Cb 0.01 -0.80 -0.10 0.00 -1.51 0.00 0.00 72.50 70.10 2qrs s THR 68 CO -0.07 -0.33 0.92 -1.61 -2.21 0.00 0.00 174.62 171.31 2qrs s GLU 69 N -2.02 4.41 0.02 7.08 2.02 -1.26 -0.18 118.70 128.77 2qrs s GLU 69 Ca -0.09 1.19 -0.28 0.00 0.02 0.00 0.00 54.97 55.81 2qrs s GLU 69 Cb -0.03 -2.58 0.10 0.00 0.10 0.00 0.00 34.13 31.72 2qrs s GLU 69 CO -0.00 0.18 0.85 -0.59 0.02 0.00 0.00 175.26 175.72 2qrs s PHE 70 N -1.82 -0.36 -0.33 1.61 -0.71 -0.45 -4.86 117.98 111.07 2qrs s PHE 70 Ca 0.54 0.21 0.02 0.00 -1.04 0.00 0.00 56.93 56.65 2qrs s PHE 70 Cb -0.15 0.55 0.10 0.00 -1.21 0.00 0.00 43.02 42.31 2qrs s PHE 70 CO 0.20 -0.60 0.08 0.99 -1.34 0.00 0.00 175.22 174.54 2qrs s THR 71 N -3.21 1.67 0.70 -4.49 2.01 -1.26 0.12 115.64 111.17 2qrs s THR 71 Ca 0.05 -1.95 -0.16 0.00 0.31 0.00 0.00 61.69 59.93 2qrs s THR 71 Cb -0.01 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.28 2qrs s THR 71 CO -0.09 -0.64 1.26 -2.16 -0.69 0.00 0.00 174.62 172.30 2qrs s PRO 72 N 1.19 2.23 0.28 4.92 0.04 -1.26 -4.69 135.00 137.72 2qrs s PRO 72 Ca 0.11 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.13 2qrs s PRO 72 Cb -0.18 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2qrs s PRO 72 CO -0.15 -1.81 0.07 0.99 0.04 0.00 0.00 177.00 176.14 2qrs s THR 73 N -1.66 0.86 0.21 1.26 2.01 -1.26 -0.88 115.64 116.18 2qrs s THR 73 Ca 0.79 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.70 2qrs s THR 73 Cb -0.34 -2.68 0.15 0.00 0.01 0.00 0.00 72.50 69.63 2qrs s THR 73 CO 0.43 -0.03 1.78 -0.08 -0.69 0.00 0.00 174.62 176.04 2qrs h GLU 74 N 2.28 1.13 -0.00 4.92 4.81 -1.97 -3.32 114.58 122.42 2qrs h GLU 74 Ca -0.39 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2qrs h GLU 74 Cb 1.24 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2qrs h GLU 74 CO 0.65 0.90 -0.61 0.25 -0.73 0.00 0.00 179.01 179.47 2qrs n THR 75 N -4.34 0.00 -2.38 0.32 -2.24 -1.26 -4.98 114.28 99.41 2qrs n THR 75 Ca 0.07 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2qrs n THR 75 Cb 0.16 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 2qrs n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qrs s ASP 76 N -2.29 7.04 -0.03 3.42 1.01 -1.25 -5.02 116.67 119.54 2qrs s ASP 76 Ca 0.08 2.08 -0.07 0.00 0.71 0.00 0.00 52.55 55.36 2qrs s ASP 76 Cb 0.12 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 2qrs s ASP 76 CO 0.57 -0.49 0.23 -0.89 0.21 0.00 0.00 175.17 174.80 2qrs s THR 77 N 1.00 5.35 0.04 -1.27 2.01 -1.26 -4.76 115.64 116.76 2qrs s THR 77 Ca 0.59 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.82 2qrs s THR 77 Cb -0.31 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2qrs s THR 77 CO 0.30 0.44 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.25 2qrs s TYR 78 N -1.22 0.95 0.22 4.92 1.51 -1.26 -0.04 117.35 122.43 2qrs s TYR 78 Ca 0.24 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.77 2qrs s TYR 78 Cb -0.13 -0.56 -0.00 0.00 -0.11 0.00 0.00 41.96 41.16 2qrs s TYR 78 CO 0.13 -0.01 0.43 0.00 -1.11 0.00 0.00 175.55 175.00 2qrs s ALA 79 N -1.08 -0.27 -0.06 3.71 0.00 -0.31 -0.61 121.76 123.15 2qrs s ALA 79 Ca -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2qrs s ALA 79 Cb -0.09 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.03 2qrs s ALA 79 CO 0.01 -0.79 -0.11 0.00 0.00 0.00 0.00 175.76 174.87 2qrs s ARG 81 N 0.59 3.10 -0.08 0.00 3.52 0.13 -0.51 118.95 125.70 2qrs s ARG 81 Ca -0.12 -0.83 0.05 0.00 -0.13 0.00 0.00 55.73 54.69 2qrs s ARG 81 Cb -0.14 -2.43 -0.00 0.00 -1.56 0.00 0.00 34.95 30.82 2qrs s ARG 81 CO 0.03 0.10 -0.23 0.08 -0.81 0.00 0.00 175.30 174.46 2qrs s VAL 82 N 0.55 1.99 -0.15 7.11 1.01 0.31 -1.04 120.40 130.18 2qrs s VAL 82 Ca -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2qrs s VAL 82 Cb -0.17 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 2qrs s VAL 82 CO 0.04 0.55 -0.15 -0.75 0.00 0.00 0.00 175.10 174.79 2qrs s LYS 83 N 0.19 3.23 -0.10 2.72 2.20 0.18 -0.28 119.74 127.88 2qrs s LYS 83 Ca -0.14 -0.74 -0.13 0.00 -0.36 0.00 0.00 55.97 54.61 2qrs s LYS 83 Cb -0.16 -2.64 0.03 0.00 -1.51 0.00 0.00 37.83 33.55 2qrs s LYS 83 CO 0.07 0.02 0.34 -1.58 -0.36 0.00 0.00 175.35 173.84 2qrs s HIS 84 N 0.80 -0.33 0.64 4.03 2.46 -1.26 -1.62 115.29 120.02 2qrs s HIS 84 Ca -0.05 0.76 0.27 0.00 0.47 0.00 0.00 55.06 56.50 2qrs s HIS 84 Cb -0.15 0.12 1.42 0.00 -0.13 0.00 0.00 32.58 33.84 2qrs s HIS 84 CO 0.00 -0.24 1.81 0.00 -2.47 0.00 0.00 174.74 173.85 2qrs h ALA 85 N 5.15 1.66 0.00 1.58 0.00 -1.94 -0.47 119.26 125.23 2qrs h ALA 85 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qrs h ALA 85 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qrs h ALA 85 CO 0.32 -0.53 0.00 0.66 0.00 0.00 0.00 179.25 179.70 2qrs h SER 86 N 0.00 0.00 -3.78 0.00 4.64 -1.88 -3.44 113.55 109.09 2qrs h SER 86 Ca 0.07 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.71 2qrs h SER 86 Cb 0.98 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.87 2qrs h SER 86 CO -0.00 0.00 -0.74 -0.04 -0.87 0.00 0.00 176.83 175.18 2qrs s MET 87 N -3.37 2.48 0.21 4.77 -1.94 -0.18 -4.92 119.30 116.35 2qrs s MET 87 Ca 0.05 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 53.20 2qrs s MET 87 Cb 0.08 -2.43 0.16 0.00 2.01 0.00 0.00 34.83 34.66 2qrs s MET 87 CO 0.57 0.61 1.85 0.00 -0.01 0.00 0.00 175.02 178.03 2qrs h ALA 88 N 4.83 1.01 -2.25 3.03 0.00 -1.86 -3.44 119.26 120.58 2qrs h ALA 88 Ca -0.48 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 53.98 2qrs h ALA 88 Cb 1.16 -0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.49 2qrs h ALA 88 CO 0.52 0.50 -0.65 -1.83 0.00 0.00 0.00 179.25 177.79 2qrs s GLU 89 N -5.92 1.31 0.52 0.00 -1.05 -1.26 -5.11 118.70 107.19 2qrs s GLU 89 Ca -0.13 -1.67 -0.22 0.00 -0.15 0.00 0.00 54.97 52.80 2qrs s GLU 89 Cb 0.15 -0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 33.35 2qrs s GLU 89 CO 0.80 -0.16 1.30 -2.14 0.95 0.00 0.00 175.26 176.01 2qrs s PRO 90 N -3.92 3.32 -0.24 -4.83 0.02 -1.26 -4.85 135.00 123.23 2qrs s PRO 90 Ca 0.30 2.09 -0.10 0.00 0.02 0.00 0.00 61.00 63.31 2qrs s PRO 90 Cb 0.06 -2.29 -0.05 0.00 0.02 0.00 0.00 34.50 32.25 2qrs s PRO 90 CO 0.09 -1.00 0.14 0.21 -0.33 0.00 0.00 177.00 176.11 2qrs s LYS 91 N -2.86 3.96 -0.19 5.54 2.47 0.61 -4.89 119.74 124.39 2qrs s LYS 91 Ca 0.69 -0.32 -0.05 0.00 -1.56 0.00 0.00 55.97 54.72 2qrs s LYS 91 Cb -0.37 -3.48 -0.03 0.00 -1.46 0.00 0.00 37.83 32.49 2qrs s LYS 91 CO 0.43 -0.00 0.01 0.99 0.16 0.00 0.00 175.35 176.95 2qrs s THR 92 N 1.20 4.12 -0.19 3.43 2.01 -1.26 -0.53 115.64 124.42 2qrs s THR 92 Ca 0.06 -0.26 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 2qrs s THR 92 Cb -0.14 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.52 2qrs s THR 92 CO 0.05 0.43 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.56 2qrs s VAL 93 N 0.85 2.36 0.35 3.82 1.01 0.33 -4.94 120.40 124.18 2qrs s VAL 93 Ca 0.01 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 2qrs s VAL 93 Cb -0.14 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 2qrs s VAL 93 CO 0.02 0.51 0.88 -0.31 0.00 0.00 0.00 175.10 176.20 2qrs s TYR 94 N 1.33 3.48 -0.26 5.22 1.51 -1.26 -0.87 117.35 126.50 2qrs s TYR 94 Ca 0.05 1.56 -0.29 0.00 -1.01 0.00 0.00 57.07 57.38 2qrs s TYR 94 Cb -0.13 -2.78 -0.01 0.00 -0.11 0.00 0.00 41.96 38.93 2qrs s TYR 94 CO -0.11 0.08 1.39 -0.46 -1.11 0.00 0.00 175.55 175.35 2qrs s TRP 95 N -1.89 2.53 -1.08 2.71 -0.00 0.22 -4.85 118.94 116.58 2qrs s TRP 95 Ca 0.54 0.78 -0.14 0.00 -0.00 0.00 0.00 56.10 57.29 2qrs s TRP 95 Cb -0.13 -3.89 0.20 0.00 -0.00 0.00 0.00 33.47 29.65 2qrs s TRP 95 CO 0.18 -2.09 1.21 0.34 -0.00 0.00 0.00 176.95 176.59 2qrs s ASP 96 N 3.11 7.02 0.00 5.86 -1.08 -1.26 -4.79 116.67 125.53 2qrs s ASP 96 Ca 0.61 -2.93 0.18 0.00 -0.52 0.00 0.00 52.55 49.89 2qrs s ASP 96 Cb -0.20 -2.33 1.10 0.00 -1.46 0.00 0.00 42.92 40.04 2qrs s ASP 96 CO 0.24 -0.67 1.56 -2.11 0.52 0.00 0.00 175.17 174.72 2qrs n ARG 97 N 4.85 0.77 0.00 4.34 1.85 -1.26 -4.34 116.66 122.87 2qrs n ARG 97 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 2qrs n ARG 97 Cb 0.44 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 2qrs n ARG 97 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2qrs n ASP 98 N -0.88 0.00 0.00 2.89 5.75 -1.26 -4.99 116.55 118.07 2qrs n ASP 98 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 2qrs n ASP 98 Cb 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2qrs n ASP 98 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2qrs n MET 99 N -0.46 0.96 -2.31 0.11 2.81 -1.26 -5.05 117.12 111.92 2qrs n MET 99 Ca 0.00 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.57 2qrs n MET 99 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.52 2qrs n MET 99 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qrs n GLY 1 N 1.58 5.83 3.81 3.03 0.00 -1.26 -4.59 105.19 113.60 2qrs n GLY 1 Ca 0.00 -2.67 -0.33 0.00 0.00 0.00 0.00 46.02 43.03 2qrs n GLY 1 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qrs s PRO 2 N -3.74 3.51 0.15 1.61 0.04 -1.26 -3.87 135.00 131.44 2qrs s PRO 2 Ca 0.49 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.70 2qrs s PRO 2 Cb 0.40 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 2qrs s PRO 2 CO -0.27 -0.65 0.02 -1.01 0.04 0.00 0.00 177.00 175.13 2qrs s HIS 3 N -2.44 1.07 -0.05 0.56 3.76 0.27 -4.96 115.29 113.50 2qrs s HIS 3 Ca 0.63 -1.09 -0.10 0.00 -0.15 0.00 0.00 55.06 54.34 2qrs s HIS 3 Cb -0.15 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 32.95 2qrs s HIS 3 CO 0.34 -0.32 0.25 -1.54 -0.85 0.00 0.00 174.74 172.62 2qrs s SER 4 N -3.12 -0.17 -0.27 1.40 1.04 -1.26 0.62 113.70 111.93 2qrs s SER 4 Ca 0.23 0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.86 2qrs s SER 4 Cb 0.07 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.61 2qrs s SER 4 CO 0.03 -0.27 -0.04 -0.22 0.98 0.00 0.00 173.24 173.71 2qrs s LEU 5 N -0.69 3.43 0.00 2.42 2.96 -0.18 -0.88 118.68 125.75 2qrs s LEU 5 Ca -0.08 -1.03 0.03 0.00 -0.22 0.00 0.00 54.13 52.83 2qrs s LEU 5 Cb -0.04 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2qrs s LEU 5 CO 0.02 -0.17 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.66 2qrs s ARG 6 N 1.29 0.66 -0.12 1.98 0.52 -0.18 -0.72 118.95 122.38 2qrs s ARG 6 Ca -0.02 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 2qrs s ARG 6 Cb -0.18 -0.62 -0.01 0.00 0.52 0.00 0.00 34.95 34.66 2qrs s ARG 6 CO -0.03 0.17 -0.15 0.71 0.02 0.00 0.00 175.30 176.01 2qrs s TYR 7 N -0.34 2.76 -0.27 -0.53 2.02 0.68 0.05 117.35 121.72 2qrs s TYR 7 Ca 0.02 -0.74 -0.07 0.00 -0.37 0.00 0.00 57.07 55.91 2qrs s TYR 7 Cb -0.04 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 2qrs s TYR 7 CO -0.00 -0.26 0.07 -0.06 -1.57 0.00 0.00 175.55 173.72 2qrs s PHE 8 N 0.36 3.10 -0.06 2.71 0.40 0.12 -1.72 117.98 122.91 2qrs s PHE 8 Ca -0.12 -0.70 0.04 0.00 -0.60 0.00 0.00 56.93 55.54 2qrs s PHE 8 Cb -0.16 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 2qrs s PHE 8 CO 0.06 -0.47 -0.16 0.08 0.70 0.00 0.00 175.22 175.43 2qrs s VAL 9 N 1.56 2.87 -0.04 -0.44 1.01 -0.10 -0.87 120.40 124.39 2qrs s VAL 9 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2qrs s VAL 9 Cb -0.16 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.12 2qrs s VAL 9 CO 0.03 0.58 -0.06 -0.89 0.00 0.00 0.00 175.10 174.76 2qrs s THR 10 N -0.56 0.64 -0.12 3.92 2.01 -0.41 -1.51 115.64 119.60 2qrs s THR 10 Ca 0.08 -0.20 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 2qrs s THR 10 Cb -0.11 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.79 2qrs s THR 10 CO 0.01 0.24 -0.08 0.00 -0.69 0.00 0.00 174.62 174.10 2qrs s ALA 11 N 0.74 1.38 -0.16 7.40 0.00 -0.22 -0.55 121.76 130.35 2qrs s ALA 11 Ca -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2qrs s ALA 11 Cb -0.14 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.07 2qrs s ALA 11 CO 0.01 -0.44 -0.11 0.08 0.00 0.00 0.00 175.76 175.29 2qrs s VAL 12 N 1.69 1.47 0.55 0.00 1.01 0.15 -1.29 120.40 123.98 2qrs s VAL 12 Ca 0.05 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2qrs s VAL 12 Cb -0.13 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 2qrs s VAL 12 CO -0.08 0.34 1.01 -0.94 0.00 0.00 0.00 175.10 175.43 2qrs s SER 13 N 1.51 6.31 -0.49 3.32 1.04 -0.50 -0.46 113.70 124.43 2qrs s SER 13 Ca 0.03 1.62 0.06 0.00 0.48 0.00 0.00 55.95 58.15 2qrs s SER 13 Cb -0.14 -2.51 0.21 0.00 0.10 0.00 0.00 66.02 63.68 2qrs s SER 13 CO -0.09 -0.80 0.73 -2.11 0.98 0.00 0.00 173.24 171.94 2qrs n ARG 14 N -1.88 0.59 -1.56 4.02 1.85 -1.26 -3.90 116.66 114.52 2qrs n ARG 14 Ca 0.07 -2.13 -0.45 0.00 -1.00 0.00 0.00 57.85 54.34 2qrs n ARG 14 Cb 0.54 -1.47 -0.02 0.00 -1.05 0.00 0.00 32.46 30.45 2qrs n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2qrs n PRO 15 N 2.42 1.16 0.00 2.89 -0.02 -1.26 -1.38 135.00 138.82 2qrs n PRO 15 Ca 0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2qrs n PRO 15 Cb 0.57 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2qrs n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qrs n GLY 16 N 1.39 2.61 0.79 -1.23 0.00 -1.26 -4.71 105.19 102.79 2qrs n GLY 16 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 2qrs n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qrs n LEU 17 N 0.00 3.11 0.00 0.99 4.77 -0.48 -5.10 117.00 120.30 2qrs n LEU 17 Ca 0.00 -1.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 2qrs n LEU 17 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2qrs n LEU 17 CO 0.00 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2qrs n GLY 18 N 0.79 -0.34 3.78 -0.72 0.00 -1.18 -5.03 105.19 102.48 2qrs n GLY 18 Ca 0.14 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 2qrs n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qrs s GLU 19 N 0.00 2.45 0.48 1.61 0.41 -1.26 -4.42 118.70 117.97 2qrs s GLU 19 Ca 0.00 1.15 -0.24 0.00 -0.41 0.00 0.00 54.97 55.47 2qrs s GLU 19 Cb 0.00 -1.92 -0.07 0.00 -1.78 0.00 0.00 34.13 30.36 2qrs s GLU 19 CO 0.00 -1.49 1.36 -2.14 -0.49 0.00 0.00 175.26 172.50 2qrs s PRO 20 N -4.84 3.54 0.02 0.39 0.02 -1.26 -4.64 135.00 128.23 2qrs s PRO 20 Ca 0.61 2.26 -0.24 0.00 0.02 0.00 0.00 61.00 63.66 2qrs s PRO 20 Cb -0.17 -2.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.79 2qrs s PRO 20 CO 0.54 -0.88 0.71 0.50 -0.33 0.00 0.00 177.00 177.54 2qrs s ARG 21 N -2.60 4.44 -0.04 5.54 3.52 0.39 -4.87 118.95 125.32 2qrs s ARG 21 Ca 0.64 0.95 0.03 0.00 -0.13 0.00 0.00 55.73 57.23 2qrs s ARG 21 Cb -0.40 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 2qrs s ARG 21 CO 0.50 0.30 -0.14 -0.47 -0.81 0.00 0.00 175.30 174.68 2qrs s TYR 22 N -0.04 1.44 0.01 5.12 5.04 -1.26 -0.68 117.35 126.97 2qrs s TYR 22 Ca 0.36 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 2qrs s TYR 22 Cb -0.20 -1.00 -0.01 0.00 0.35 0.00 0.00 41.96 41.11 2qrs s TYR 22 CO 0.21 -0.17 -0.02 -1.64 -1.34 0.00 0.00 175.55 172.60 2qrs s MET 23 N 0.20 0.16 -0.11 4.97 -1.94 0.29 -0.67 119.30 122.20 2qrs s MET 23 Ca -0.06 -0.26 0.01 0.00 -1.71 0.00 0.00 55.69 53.68 2qrs s MET 23 Cb -0.11 0.00 0.02 0.00 2.01 0.00 0.00 34.83 36.75 2qrs s MET 23 CO 0.02 -0.01 -0.13 -1.21 -0.01 0.00 0.00 175.02 173.68 2qrs s GLU 24 N -0.59 2.05 -0.11 2.03 2.02 -0.23 -1.29 118.70 122.57 2qrs s GLU 24 Ca -0.06 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.45 2qrs s GLU 24 Cb -0.04 -1.81 0.02 0.00 0.10 0.00 0.00 34.13 32.40 2qrs s GLU 24 CO -0.00 -0.11 -0.13 0.08 0.02 0.00 0.00 175.26 175.11 2qrs s VAL 25 N 1.15 1.34 -0.09 2.63 1.01 -0.05 -0.18 120.40 126.22 2qrs s VAL 25 Ca -0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2qrs s VAL 25 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2qrs s VAL 25 CO -0.03 0.41 0.05 -0.83 0.00 0.00 0.00 175.10 174.70 2qrs s GLY 26 N 1.17 1.96 -0.03 4.51 0.00 -0.45 0.15 107.32 114.63 2qrs s GLY 26 Ca -0.04 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2qrs s GLY 26 CO -0.04 -0.52 -0.10 -0.19 0.00 0.00 0.00 173.10 172.25 2qrs s TYR 27 N -0.95 1.04 -0.29 1.90 1.51 0.11 -0.68 117.35 119.99 2qrs s TYR 27 Ca 0.14 -0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 55.87 2qrs s TYR 27 Cb -0.12 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 2qrs s TYR 27 CO 0.03 -0.11 0.08 0.08 -1.11 0.00 0.00 175.55 174.53 2qrs s VAL 28 N 0.17 4.06 -1.26 0.71 1.01 -0.43 -1.01 120.40 123.64 2qrs s VAL 28 Ca -0.03 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 2qrs s VAL 28 Cb -0.09 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.25 2qrs s VAL 28 CO 0.01 0.13 0.60 0.47 0.00 0.00 0.00 175.10 176.31 2qrs n ASP 29 N 4.88 -3.32 0.00 3.32 8.00 -0.06 -0.93 116.55 128.45 2qrs n ASP 29 Ca -0.15 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.21 2qrs n ASP 29 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 2qrs n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qrs n ASP 30 N -2.58 -1.20 -4.48 -2.24 8.00 -1.26 -4.97 116.55 107.82 2qrs n ASP 30 Ca -0.16 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.98 2qrs n ASP 30 Cb 0.61 -1.66 -0.12 0.00 -0.02 0.00 0.00 41.12 39.93 2qrs n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qrs s THR 31 N -2.04 4.21 0.08 -3.53 -4.23 -0.11 -5.07 115.64 104.96 2qrs s THR 31 Ca 0.00 -0.22 -0.31 0.00 -1.18 0.00 0.00 61.69 59.98 2qrs s THR 31 Cb 0.00 -2.93 -0.08 0.00 1.34 0.00 0.00 72.50 70.84 2qrs s THR 31 CO 0.00 0.40 1.51 -0.70 -0.54 0.00 0.00 174.62 175.29 2qrs s GLU 32 N 1.11 4.25 0.00 3.99 2.12 -1.26 -1.32 118.70 127.59 2qrs s GLU 32 Ca 0.03 2.18 0.00 0.00 0.36 0.00 0.00 54.97 57.55 2qrs s GLU 32 Cb -0.14 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2qrs s GLU 32 CO 0.02 -0.59 0.00 1.97 -0.54 0.00 0.00 175.26 176.12 2qrs n PHE 33 N 4.80 0.00 -3.87 5.30 -1.74 0.14 -4.38 117.46 117.71 2qrs n PHE 33 Ca 0.14 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.92 2qrs n PHE 33 Cb 0.41 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.32 2qrs n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2qrs s VAL 34 N -1.37 0.11 -0.20 1.97 -7.23 -1.21 -0.31 120.40 112.15 2qrs s VAL 34 Ca 0.00 -0.89 -0.14 0.00 -1.81 0.00 0.00 61.98 59.14 2qrs s VAL 34 Cb 0.00 -0.79 0.06 0.00 0.56 0.00 0.00 36.38 36.21 2qrs s VAL 34 CO 0.00 -0.49 0.50 -0.60 -0.31 0.00 0.00 175.10 174.20 2qrs s ARG 35 N -2.27 0.53 -0.10 4.82 3.52 -0.82 -1.35 118.95 123.29 2qrs s ARG 35 Ca -0.08 0.85 0.03 0.00 -0.13 0.00 0.00 55.73 56.40 2qrs s ARG 35 Cb -0.03 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.50 2qrs s ARG 35 CO -0.03 -0.12 -0.19 0.12 -0.81 0.00 0.00 175.30 174.27 2qrs s PHE 36 N 1.02 2.20 -0.14 5.12 2.19 0.75 -1.46 117.98 127.67 2qrs s PHE 36 Ca -0.06 -0.96 -0.02 0.00 0.33 0.00 0.00 56.93 56.21 2qrs s PHE 36 Cb -0.06 -1.52 0.04 0.00 -1.31 0.00 0.00 43.02 40.17 2qrs s PHE 36 CO -0.09 -0.44 0.02 0.34 1.83 0.00 0.00 175.22 176.87 2qrs s ASP 37 N 0.67 2.31 0.62 6.13 -1.08 -1.26 -1.07 116.67 122.98 2qrs s ASP 37 Ca -0.13 -0.48 0.33 0.00 -0.52 0.00 0.00 52.55 51.76 2qrs s ASP 37 Cb -0.16 -0.54 1.91 0.00 -1.46 0.00 0.00 42.92 42.66 2qrs s ASP 37 CO 0.03 -0.25 2.20 0.77 0.52 0.00 0.00 175.17 178.44 2qrs h SER 38 N 8.28 0.00 0.00 -0.34 4.64 -1.29 -2.28 113.55 122.56 2qrs h SER 38 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2qrs h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2qrs h SER 38 CO 0.31 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.74 2qrs n ASP 39 N -3.54 0.00 -4.83 4.97 9.92 -1.26 -4.66 116.55 117.15 2qrs n ASP 39 Ca -0.01 -1.03 -0.32 0.00 -0.53 0.00 0.00 54.79 52.89 2qrs n ASP 39 Cb 0.19 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.67 2qrs n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qrs s ALA 40 N -2.00 2.92 0.16 2.24 0.00 -0.86 -4.94 121.76 119.29 2qrs s ALA 40 Ca 0.46 0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 2qrs s ALA 40 Cb 0.21 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2qrs s ALA 40 CO 0.35 -0.58 1.49 0.39 0.00 0.00 0.00 175.76 177.42 2qrs n GLU 41 N -2.00 -0.41 -4.50 0.00 4.71 -1.26 -3.85 120.64 113.33 2qrs n GLU 41 Ca 0.07 1.47 -0.32 0.00 -0.01 0.00 0.00 57.16 58.37 2qrs n GLU 41 Cb 0.54 -2.16 -0.16 0.00 -1.01 0.00 0.00 31.44 28.64 2qrs n GLU 41 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2qrs s ASN 42 N -5.47 3.08 -0.12 1.62 3.84 -1.26 -5.09 114.94 111.54 2qrs s ASN 42 Ca -0.12 -0.61 -0.29 0.00 0.21 0.00 0.00 52.86 52.05 2qrs s ASN 42 Cb 0.12 -1.43 -0.03 0.00 -0.55 0.00 0.00 41.25 39.35 2qrs s ASN 42 CO 0.61 0.05 1.35 -2.84 -2.79 0.00 0.00 177.10 173.48 2qrs s PRO 43 N 0.96 4.24 -0.09 0.43 0.02 -1.25 -5.00 135.00 134.31 2qrs s PRO 43 Ca -0.04 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 62.61 2qrs s PRO 43 Cb -0.15 -3.77 0.04 0.00 0.02 0.00 0.00 34.50 30.64 2qrs s PRO 43 CO -0.05 -0.70 0.41 1.03 -0.33 0.00 0.00 177.00 177.36 2qrs s ARG 44 N 3.40 0.62 0.39 5.54 0.52 -1.26 -5.03 118.95 123.13 2qrs s ARG 44 Ca 0.59 0.26 -0.27 0.00 -0.52 0.00 0.00 55.73 55.79 2qrs s ARG 44 Cb -0.25 0.29 -0.10 0.00 0.52 0.00 0.00 34.95 35.41 2qrs s ARG 44 CO 0.19 -0.14 1.38 0.71 0.02 0.00 0.00 175.30 177.47 2qrs s TYR 45 N -0.51 2.73 0.01 -0.53 1.51 -1.26 -4.54 117.35 114.76 2qrs s TYR 45 Ca -0.06 1.31 0.02 0.00 -1.01 0.00 0.00 57.07 57.33 2qrs s TYR 45 Cb -0.03 -3.82 -0.01 0.00 -0.11 0.00 0.00 41.96 37.98 2qrs s TYR 45 CO 0.03 -2.47 -0.07 -1.83 -1.11 0.00 0.00 175.55 170.10 2qrs s GLU 46 N -2.14 0.55 0.31 -0.62 -1.05 -0.53 -4.97 118.70 110.25 2qrs s GLU 46 Ca 0.55 -0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.64 2qrs s GLU 46 Cb -0.42 -0.46 -0.10 0.00 -0.44 0.00 0.00 34.13 32.71 2qrs s GLU 46 CO 0.55 0.12 1.17 -1.25 0.95 0.00 0.00 175.26 176.80 2qrs s PRO 47 N -0.69 4.49 0.00 -4.83 0.04 -1.26 -1.93 135.00 130.81 2qrs s PRO 47 Ca -0.02 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2qrs s PRO 47 Cb -0.05 -3.10 0.08 0.00 0.04 0.00 0.00 34.50 31.48 2qrs s PRO 47 CO 0.00 0.03 0.94 0.54 0.04 0.00 0.00 177.00 178.55 2qrs n ARG 48 N 0.94 1.86 -3.83 4.56 5.12 0.58 -4.89 116.66 121.00 2qrs n ARG 48 Ca -0.00 -1.39 -0.12 0.00 -1.93 0.00 0.00 57.85 54.40 2qrs n ARG 48 Cb 0.44 -1.09 -0.13 0.00 -1.16 0.00 0.00 32.46 30.52 2qrs n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qrs s ALA 49 N -0.79 -0.21 0.28 7.54 0.00 -1.24 -4.71 121.76 122.63 2qrs s ALA 49 Ca 0.07 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.33 2qrs s ALA 49 Cb 0.04 -0.17 0.57 0.00 0.00 0.00 0.00 23.12 23.56 2qrs s ALA 49 CO 0.05 -0.05 1.83 -0.09 0.00 0.00 0.00 175.76 177.50 2qrs h ARG 50 N 6.13 0.94 0.00 0.00 9.65 -1.94 -1.63 114.38 127.53 2qrs h ARG 50 Ca -0.27 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2qrs h ARG 50 Cb 1.20 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2qrs h ARG 50 CO 0.45 0.62 0.00 -2.67 2.80 0.00 0.00 179.97 181.17 2qrs n TRP 51 N -4.64 0.00 1.06 2.20 4.27 -1.26 -1.20 117.44 117.87 2qrs n TRP 51 Ca 0.19 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.93 2qrs n TRP 51 Cb 0.38 -0.44 0.30 0.00 -1.36 0.00 0.00 31.31 30.19 2qrs n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 2qrs n MET 52 N -1.44 0.18 0.01 -2.67 2.81 -0.61 -3.73 117.12 111.66 2qrs n MET 52 Ca 0.02 -0.10 0.05 0.00 -1.81 0.00 0.00 57.70 55.86 2qrs n MET 52 Cb 0.06 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.31 2qrs n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qrs n GLU 53 N -1.32 0.01 0.10 0.03 1.02 -0.34 -2.02 120.64 118.10 2qrs n GLU 53 Ca 0.07 0.33 -0.04 0.00 -0.02 0.00 0.00 57.16 57.50 2qrs n GLU 53 Cb 0.34 -1.52 0.12 0.00 -0.02 0.00 0.00 31.44 30.36 2qrs n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2qrs h GLN 54 N 0.00 0.18 -6.76 3.49 4.20 -1.77 -3.44 115.11 111.00 2qrs h GLN 54 Ca 0.00 -0.13 -0.53 0.00 0.06 0.00 0.00 58.65 58.05 2qrs h GLN 54 Cb 0.18 0.02 0.07 0.00 0.30 0.00 0.00 27.48 28.06 2qrs h GLN 54 CO 0.00 0.75 0.87 -1.21 -0.67 0.00 0.00 178.83 178.56 2qrs s GLU 55 N -3.68 4.16 0.96 1.46 0.41 -0.86 -4.99 118.70 116.16 2qrs s GLU 55 Ca -0.03 2.50 -0.15 0.00 -0.41 0.00 0.00 54.97 56.88 2qrs s GLU 55 Cb 0.12 -3.06 0.18 0.00 -1.78 0.00 0.00 34.13 29.59 2qrs s GLU 55 CO 0.79 -0.59 1.24 0.20 -0.49 0.00 0.00 175.26 176.40 2qrs s GLY 56 N 0.57 1.68 0.45 -1.39 0.00 -1.26 -4.88 107.32 102.50 2qrs s GLY 56 Ca 0.64 -0.95 0.19 0.00 0.00 0.00 0.00 44.72 44.59 2qrs s GLY 56 CO 0.44 -0.25 1.93 -0.56 0.00 0.00 0.00 173.10 174.66 2qrs h PRO 57 N -1.66 0.29 -0.55 2.90 0.13 -1.98 -2.09 132.00 129.05 2qrs h PRO 57 Ca -0.46 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2qrs h PRO 57 Cb 1.28 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2qrs h PRO 57 CO 0.46 0.19 0.04 0.93 -0.23 0.00 0.00 178.00 179.39 2qrs h GLU 58 N 0.30 0.91 0.60 0.86 5.08 -1.99 0.13 114.58 120.48 2qrs h GLU 58 Ca 0.35 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2qrs h GLU 58 Cb 0.95 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.10 2qrs h GLU 58 CO -0.09 0.88 -0.29 -0.92 -1.00 0.00 0.00 179.01 177.59 2qrs h TYR 59 N 0.85 -0.75 -0.96 4.33 3.20 -1.74 -0.50 116.97 121.39 2qrs h TYR 59 Ca 0.17 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.07 2qrs h TYR 59 Cb 0.45 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 2qrs h TYR 59 CO 0.03 -0.45 0.62 -1.49 -1.64 0.00 0.00 178.16 175.23 2qrs h TRP 60 N -0.87 1.15 -0.33 -3.82 4.06 -1.40 -0.76 115.95 113.98 2qrs h TRP 60 Ca -0.08 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 2qrs h TRP 60 Cb 0.64 -0.38 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2qrs h TRP 60 CO -0.02 0.62 0.09 1.49 -3.56 0.00 0.00 178.44 177.06 2qrs h GLU 61 N 1.15 0.52 -0.62 0.49 4.57 -0.85 -0.50 114.58 119.34 2qrs h GLU 61 Ca 0.40 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.42 2qrs h GLU 61 Cb 0.11 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2qrs h GLU 61 CO -0.15 0.56 0.21 -0.09 -1.18 0.00 0.00 179.01 178.36 2qrs h ARG 62 N 0.37 0.95 -0.43 1.92 2.43 -0.58 -1.64 114.38 117.41 2qrs h ARG 62 Ca 0.10 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 2qrs h ARG 62 Cb 0.27 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2qrs h ARG 62 CO -0.00 0.83 -0.10 0.93 -1.51 0.00 0.00 179.97 180.12 2qrs h GLU 63 N 0.88 0.83 -0.27 0.20 4.39 -1.06 -1.79 114.58 117.76 2qrs h GLU 63 Ca 0.20 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2qrs h GLU 63 Cb 0.27 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2qrs h GLU 63 CO -0.01 0.94 0.12 1.15 -1.16 0.00 0.00 179.01 180.06 2qrs h THR 64 N 0.65 1.16 -0.33 1.13 2.02 -0.94 -0.93 112.91 115.68 2qrs h THR 64 Ca 0.11 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 2qrs h THR 64 Cb 0.64 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2qrs h THR 64 CO 0.04 0.16 -0.15 1.56 0.37 0.00 0.00 175.52 177.51 2qrs h GLN 65 N 0.30 0.57 -0.25 6.66 1.08 -1.27 -2.00 115.11 120.21 2qrs h GLN 65 Ca 0.09 -0.18 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 2qrs h GLN 65 Cb 0.14 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2qrs h GLN 65 CO -0.01 0.71 -0.27 -0.22 -0.95 0.00 0.00 178.83 178.08 2qrs h LYS 66 N 0.52 0.50 -0.39 1.46 3.64 -1.11 -1.59 116.57 119.60 2qrs h LYS 66 Ca 0.09 -0.20 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 2qrs h LYS 66 Cb 0.56 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2qrs h LYS 66 CO 0.04 0.73 -0.22 0.00 -2.27 0.00 0.00 179.45 177.73 2qrs h ALA 67 N 1.27 0.88 -0.10 5.00 0.00 -0.64 0.29 119.26 125.96 2qrs h ALA 67 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2qrs h ALA 67 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2qrs h ALA 67 CO 0.05 0.63 -0.48 0.87 0.00 0.00 0.00 179.25 180.32 2qrs h LYS 68 N 0.68 0.24 -0.04 0.00 1.57 -1.16 0.56 116.57 118.41 2qrs h LYS 68 Ca 0.09 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2qrs h LYS 68 Cb 0.73 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2qrs h LYS 68 CO 0.06 0.67 -0.00 0.78 -0.57 0.00 0.00 179.45 180.39 2qrs h GLY 69 N 1.31 0.09 0.73 3.86 0.00 -1.02 -2.81 103.07 105.24 2qrs h GLY 69 Ca 0.01 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.33 2qrs h GLY 69 CO 0.07 0.06 0.43 3.43 0.00 0.00 0.00 176.54 180.53 2qrs h ASN 70 N -0.24 0.66 -0.92 0.19 2.35 -0.52 -2.20 115.58 114.90 2qrs h ASN 70 Ca 0.01 0.02 0.17 0.00 -0.55 0.00 0.00 56.30 55.96 2qrs h ASN 70 Cb 0.36 -0.12 -0.10 0.00 0.05 0.00 0.00 38.32 38.51 2qrs h ASN 70 CO 0.00 0.43 0.51 -0.08 -1.65 0.00 0.00 177.43 176.64 2qrs h GLU 71 N 0.79 0.64 -0.50 0.81 4.81 0.27 -1.46 114.58 119.95 2qrs h GLU 71 Ca 0.31 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 2qrs h GLU 71 Cb 0.15 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2qrs h GLU 71 CO -0.16 0.43 0.03 0.37 -0.73 0.00 0.00 179.01 178.94 2qrs h GLN 72 N 0.66 0.86 -0.69 1.92 5.75 -1.15 -0.21 115.11 122.26 2qrs h GLN 72 Ca 0.53 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 2qrs h GLN 72 Cb 0.81 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 2qrs h GLN 72 CO -0.39 0.88 0.44 0.77 -2.65 0.00 0.00 178.83 177.88 2qrs h SER 73 N 0.72 0.80 0.22 -0.69 0.02 -1.11 -1.17 113.55 112.35 2qrs h SER 73 Ca 0.14 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 2qrs h SER 73 Cb 0.48 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2qrs h SER 73 CO 0.02 0.60 -0.55 -0.26 -1.14 0.00 0.00 176.83 175.50 2qrs h PHE 74 N 0.93 0.44 -0.33 3.45 -1.00 -1.05 -0.93 116.94 118.46 2qrs h PHE 74 Ca 0.25 -0.16 0.01 0.00 2.81 0.00 0.00 57.97 60.88 2qrs h PHE 74 Cb -0.08 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.38 2qrs h PHE 74 CO -0.02 0.82 0.20 -0.09 -1.61 0.00 0.00 178.31 177.61 2qrs h ARG 75 N 0.27 0.40 -0.34 1.51 2.43 -0.58 0.11 114.38 118.19 2qrs h ARG 75 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2qrs h ARG 75 Cb 1.05 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2qrs h ARG 75 CO 0.09 0.27 0.09 0.28 -1.51 0.00 0.00 179.97 179.19 2qrs h VAL 76 N 0.41 1.21 -0.63 0.20 2.07 -1.11 -2.92 116.25 115.49 2qrs h VAL 76 Ca 0.12 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2qrs h VAL 76 Cb -0.02 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2qrs h VAL 76 CO -0.05 0.24 0.34 0.44 0.02 0.00 0.00 177.57 178.57 2qrs h ASP 77 N 0.39 0.77 -0.86 0.57 3.32 -0.80 -1.25 116.42 118.55 2qrs h ASP 77 Ca 0.11 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2qrs h ASP 77 Cb 0.27 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2qrs h ASP 77 CO -0.00 0.62 0.53 -0.07 -1.72 0.00 0.00 179.24 178.60 2qrs h LEU 78 N 0.87 1.03 -0.27 1.55 3.38 -0.62 0.00 115.31 121.24 2qrs h LEU 78 Ca 0.22 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2qrs h LEU 78 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2qrs h LEU 78 CO -0.04 0.78 -0.07 -0.09 0.09 0.00 0.00 178.44 179.11 2qrs h ARG 79 N 1.19 0.53 0.01 1.13 2.43 -1.17 -2.34 114.38 116.16 2qrs h ARG 79 Ca 0.31 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2qrs h ARG 79 Cb -0.07 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2qrs h ARG 79 CO -0.06 0.74 -0.01 1.15 -1.51 0.00 0.00 179.97 180.28 2qrs h THR 80 N 0.29 0.97 -0.02 0.20 2.02 -0.80 -2.92 112.91 112.66 2qrs h THR 80 Ca 0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 2qrs h THR 80 Cb 0.54 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2qrs h THR 80 CO 0.03 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.63 2qrs h LEU 81 N -0.02 0.03 -0.68 2.58 3.38 -1.01 -1.65 115.31 117.93 2qrs h LEU 81 Ca 0.00 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2qrs h LEU 81 Cb 0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2qrs h LEU 81 CO -0.01 0.25 0.38 0.25 0.09 0.00 0.00 178.44 179.40 2qrs h LEU 82 N 0.03 0.55 -0.10 1.67 7.12 -1.22 -0.75 115.31 122.61 2qrs h LEU 82 Ca 0.00 0.03 -0.24 0.00 0.13 0.00 0.00 57.88 57.80 2qrs h LEU 82 Cb 0.41 -0.07 0.01 0.00 -0.53 0.00 0.00 40.66 40.47 2qrs h LEU 82 CO 0.03 0.35 -1.00 1.23 -0.13 0.00 0.00 178.44 178.92 2qrs h GLY 83 N 0.69 0.53 2.00 3.75 0.00 -1.45 -1.65 103.07 106.95 2qrs h GLY 83 Ca 0.31 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 2qrs h GLY 83 CO -0.19 0.85 -0.08 0.00 0.00 0.00 0.00 176.54 177.12 2qrs h ALA 84 N 0.63 1.63 -0.58 3.60 0.00 -0.70 -1.78 119.26 122.06 2qrs h ALA 84 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qrs h ALA 84 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2qrs h ALA 84 CO 0.18 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.18 2qrs n TYR 85 N -4.09 1.09 -3.94 0.00 4.02 -0.34 -3.11 117.16 110.80 2qrs n TYR 85 Ca -0.03 -0.58 -0.25 0.00 -0.01 0.00 0.00 57.90 57.03 2qrs n TYR 85 Cb 0.16 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 2qrs n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qrs n ASN 86 N 1.01 -0.46 -4.80 7.72 5.15 -0.68 -4.11 115.26 119.09 2qrs n ASN 86 Ca 0.22 -0.99 -0.32 0.00 -0.60 0.00 0.00 54.58 52.89 2qrs n ASN 86 Cb 0.72 -3.14 -0.07 0.00 -0.53 0.00 0.00 39.78 36.77 2qrs n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2qrs s GLN 87 N -6.51 3.08 0.38 1.20 -0.21 -0.63 -4.05 119.66 112.92 2qrs s GLN 87 Ca 0.02 -0.50 -0.26 0.00 0.02 0.00 0.00 55.36 54.64 2qrs s GLN 87 Cb -0.01 -2.86 -0.11 0.00 1.00 0.00 0.00 33.01 31.02 2qrs s GLN 87 CO 0.88 0.64 1.13 0.43 -2.12 0.00 0.00 175.29 176.25 2qrs n SER 88 N 1.02 1.91 0.24 5.90 7.64 -1.26 -4.75 113.62 124.31 2qrs n SER 88 Ca -0.12 1.11 0.09 0.00 1.01 0.00 0.00 58.87 60.96 2qrs n SER 88 Cb 0.52 -1.41 0.61 0.00 -1.01 0.00 0.00 64.21 62.93 2qrs n SER 88 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2qrs h LYS 89 N 1.95 0.00 -0.61 1.43 1.57 -1.98 -3.05 116.57 115.88 2qrs h LYS 89 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2qrs h LYS 89 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2qrs h LYS 89 CO 0.59 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 180.04 2qrs n GLY 90 N -0.87 2.02 3.88 3.86 0.00 -1.26 -4.89 105.19 107.92 2qrs n GLY 90 Ca -0.02 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 2qrs n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qrs s GLY 91 N -0.79 2.29 0.04 -0.02 0.00 -1.16 -4.64 107.32 103.05 2qrs s GLY 91 Ca 0.38 -0.41 -0.22 0.00 0.00 0.00 0.00 44.72 44.46 2qrs s GLY 91 CO 0.18 -0.26 0.66 -0.45 0.00 0.00 0.00 173.10 173.24 2qrs s SER 92 N -2.14 7.11 0.11 1.64 0.15 -1.26 -4.65 113.70 114.65 2qrs s SER 92 Ca 0.39 1.32 0.03 0.00 0.70 0.00 0.00 55.95 58.39 2qrs s SER 92 Cb -0.13 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2qrs s SER 92 CO 0.21 0.11 -0.08 -1.00 1.20 0.00 0.00 173.24 173.68 2qrs s HIS 93 N -0.39 1.01 -0.01 3.44 3.76 -1.25 -4.95 115.29 116.88 2qrs s HIS 93 Ca 0.34 -0.82 0.05 0.00 -0.15 0.00 0.00 55.06 54.48 2qrs s HIS 93 Cb -0.20 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 32.93 2qrs s HIS 93 CO 0.20 -0.06 -0.16 0.99 -0.85 0.00 0.00 174.74 174.85 2qrs s THR 94 N -3.28 1.30 -0.09 1.30 2.01 -1.26 -1.41 115.64 114.20 2qrs s THR 94 Ca 0.11 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2qrs s THR 94 Cb 0.03 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2qrs s THR 94 CO -0.02 0.37 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.42 2qrs s ILE 95 N -0.36 1.95 0.11 1.82 1.01 -0.41 0.16 121.20 125.48 2qrs s ILE 95 Ca 0.06 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.81 2qrs s ILE 95 Cb -0.07 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2qrs s ILE 95 CO -0.01 0.54 -0.17 -1.10 0.00 0.00 0.00 174.94 174.21 2qrs s GLN 96 N 0.33 1.02 -0.02 2.79 -0.21 -0.21 -1.06 119.66 122.30 2qrs s GLN 96 Ca -0.17 -1.15 -0.07 0.00 0.02 0.00 0.00 55.36 53.98 2qrs s GLN 96 Cb -0.17 -1.08 0.01 0.00 1.00 0.00 0.00 33.01 32.76 2qrs s GLN 96 CO 0.08 0.23 0.16 0.08 -2.12 0.00 0.00 175.29 173.72 2qrs s VAL 97 N -1.58 0.06 -0.15 1.09 1.01 -0.57 -0.82 120.40 119.44 2qrs s VAL 97 Ca 0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2qrs s VAL 97 Cb -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.94 2qrs s VAL 97 CO 0.04 -0.26 -0.07 -0.63 0.00 0.00 0.00 175.10 174.17 2qrs s ILE 98 N -0.94 1.16 -0.04 2.22 1.01 -0.32 -0.92 121.20 123.37 2qrs s ILE 98 Ca -0.10 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.04 2qrs s ILE 98 Cb -0.06 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.19 2qrs s ILE 98 CO 0.01 0.26 -0.06 -0.55 0.00 0.00 0.00 174.94 174.60 2qrs s SER 99 N 1.63 1.05 0.00 3.58 0.15 -0.70 -0.94 113.70 118.47 2qrs s SER 99 Ca 0.03 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2qrs s SER 99 Cb -0.14 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2qrs s SER 99 CO -0.08 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2qrs n GLY 100 N 3.78 -1.71 3.02 9.45 0.00 -0.10 -0.23 105.19 119.39 2qrs n GLY 100 Ca -0.23 -1.17 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 2qrs n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrs s GLU 102 N -0.17 3.54 -0.06 0.00 2.12 0.37 -1.01 118.70 123.49 2qrs s GLU 102 Ca 0.03 -0.57 0.06 0.00 0.36 0.00 0.00 54.97 54.85 2qrs s GLU 102 Cb -0.04 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 2qrs s GLU 102 CO -0.00 0.04 -0.25 0.08 -0.54 0.00 0.00 175.26 174.59 2qrs s VAL 103 N 0.89 2.03 1.01 3.70 1.01 0.20 0.25 120.40 129.49 2qrs s VAL 103 Ca -0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 2qrs s VAL 103 Cb -0.15 -1.71 0.19 0.00 0.00 0.00 0.00 36.38 34.71 2qrs s VAL 103 CO 0.01 0.56 1.13 -0.83 0.00 0.00 0.00 175.10 175.97 2qrs s GLY 104 N -0.18 1.58 0.53 4.51 0.00 -0.42 -0.56 107.32 112.78 2qrs s GLY 104 Ca -0.03 -0.59 0.23 0.00 0.00 0.00 0.00 44.72 44.32 2qrs s GLY 104 CO 0.03 0.06 2.13 1.48 0.00 0.00 0.00 173.10 176.81 2qrs h SER 105 N -1.88 0.00 0.27 1.64 4.64 -1.90 -0.20 113.55 116.12 2qrs h SER 105 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2qrs h SER 105 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2qrs h SER 105 CO 0.54 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 2qrs n ASP 106 N -4.06 0.00 0.00 4.97 5.75 -1.26 -4.88 116.55 117.07 2qrs n ASP 106 Ca -0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 2qrs n ASP 106 Cb 0.15 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2qrs n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qrs n GLY 107 N 0.83 0.71 3.82 6.12 0.00 -0.09 -5.04 105.19 111.54 2qrs n GLY 107 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2qrs n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qrs s ARG 108 N -0.29 4.15 0.19 1.61 1.81 -1.26 -4.83 118.95 120.33 2qrs s ARG 108 Ca 0.00 0.68 -0.32 0.00 -1.72 0.00 0.00 55.73 54.37 2qrs s ARG 108 Cb 0.00 -3.21 -0.12 0.00 -0.45 0.00 0.00 34.95 31.18 2qrs s ARG 108 CO 0.00 0.63 1.75 -1.17 -0.68 0.00 0.00 175.30 175.83 2qrs s LEU 109 N -1.19 4.38 -0.23 2.53 2.96 -1.26 -1.30 118.68 124.58 2qrs s LEU 109 Ca 0.29 2.84 -0.00 0.00 -0.22 0.00 0.00 54.13 57.04 2qrs s LEU 109 Cb -0.19 -3.59 -0.19 0.00 0.50 0.00 0.00 46.19 42.72 2qrs s LEU 109 CO 0.18 -0.98 -0.09 -0.11 -1.32 0.00 0.00 176.35 174.04 2qrs n LEU 110 N 4.38 2.89 -3.66 -0.68 7.94 0.14 -4.83 117.00 123.17 2qrs n LEU 110 Ca 0.16 -0.05 -0.13 0.00 -1.11 0.00 0.00 56.01 54.89 2qrs n LEU 110 Cb 0.36 -0.96 -0.08 0.00 0.53 0.00 0.00 43.42 43.27 2qrs n LEU 110 CO 0.64 0.91 0.30 -0.60 -1.11 0.00 0.00 177.39 177.53 2qrs s ARG 111 N -2.53 0.70 -0.08 1.96 6.06 -0.76 -4.99 118.95 119.31 2qrs s ARG 111 Ca -0.32 0.89 0.02 0.00 -2.50 0.00 0.00 55.73 53.82 2qrs s ARG 111 Cb 0.08 0.31 -0.02 0.00 0.06 0.00 0.00 34.95 35.38 2qrs s ARG 111 CO 0.64 -0.10 -0.11 0.20 -2.50 0.00 0.00 175.30 173.43 2qrs s GLY 112 N 0.53 1.59 -0.04 8.12 0.00 -1.26 -0.48 107.32 115.78 2qrs s GLY 112 Ca -0.02 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 43.84 2qrs s GLY 112 CO -0.02 -0.57 -0.23 -0.19 0.00 0.00 0.00 173.10 172.09 2qrs s TYR 113 N -0.44 2.20 -0.48 1.90 2.02 0.16 -4.88 117.35 117.84 2qrs s TYR 113 Ca 0.06 -0.57 0.06 0.00 -0.37 0.00 0.00 57.07 56.25 2qrs s TYR 113 Cb -0.12 -1.44 0.18 0.00 -0.40 0.00 0.00 41.96 40.18 2qrs s TYR 113 CO 0.02 -0.14 0.61 -1.14 -1.57 0.00 0.00 175.55 173.33 2qrs s GLN 114 N -0.27 0.99 -0.07 -0.62 2.00 -1.22 -0.92 119.66 119.55 2qrs s GLN 114 Ca 0.01 -1.26 0.03 0.00 -2.00 0.00 0.00 55.36 52.14 2qrs s GLN 114 Cb -0.12 -0.41 -0.02 0.00 0.80 0.00 0.00 33.01 33.26 2qrs s GLN 114 CO 0.02 -1.33 -0.16 -0.65 -0.50 0.00 0.00 175.29 172.67 2qrs s GLN 115 N 0.77 2.77 0.10 1.67 -0.21 -0.11 -1.37 119.66 123.27 2qrs s GLN 115 Ca 0.29 -0.73 0.09 0.00 0.02 0.00 0.00 55.36 55.03 2qrs s GLN 115 Cb -0.00 -2.42 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 2qrs s GLN 115 CO -0.09 0.46 -0.23 0.71 -2.12 0.00 0.00 175.29 174.03 2qrs s TYR 116 N -0.32 2.01 0.01 0.91 1.51 0.56 -1.17 117.35 120.86 2qrs s TYR 116 Ca 0.03 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2qrs s TYR 116 Cb -0.13 -1.12 -0.01 0.00 -0.11 0.00 0.00 41.96 40.60 2qrs s TYR 116 CO 0.02 0.22 -0.03 0.00 -1.11 0.00 0.00 175.55 174.66 2qrs s ALA 117 N -1.04 0.16 -0.13 3.71 0.00 -0.00 -0.47 121.76 123.98 2qrs s ALA 117 Ca 0.09 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.76 2qrs s ALA 117 Cb -0.10 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.08 2qrs s ALA 117 CO 0.04 -0.05 -0.21 -0.47 0.00 0.00 0.00 175.76 175.08 2qrs s TYR 118 N -0.68 2.50 -1.52 0.00 5.04 -0.21 -1.04 117.35 121.44 2qrs s TYR 118 Ca -0.06 -1.22 -0.13 0.00 -2.44 0.00 0.00 57.07 53.21 2qrs s TYR 118 Cb -0.05 -1.71 0.09 0.00 0.35 0.00 0.00 41.96 40.64 2qrs s TYR 118 CO -0.00 -0.56 0.84 -0.25 -1.34 0.00 0.00 175.55 174.23 2qrs n ASP 119 N 4.04 -4.45 0.00 4.32 8.00 0.12 -2.05 116.55 126.53 2qrs n ASP 119 Ca -0.20 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2qrs n ASP 119 Cb 0.52 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 2qrs n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qrs n GLY 120 N -1.53 0.63 3.28 0.44 0.00 -1.26 -4.72 105.19 102.03 2qrs n GLY 120 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2qrs n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrs n ASP 122 N 1.86 0.63 0.02 0.00 8.00 -1.26 -1.04 116.55 124.75 2qrs n ASP 122 Ca -0.17 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.48 2qrs n ASP 122 Cb 0.53 -1.16 -0.00 0.00 -0.02 0.00 0.00 41.12 40.46 2qrs n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qrs n TYR 123 N 0.64 0.00 -3.70 1.24 9.36 0.38 -4.63 117.16 120.44 2qrs n TYR 123 Ca 0.14 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.22 2qrs n TYR 123 Cb 0.27 -0.04 -0.08 0.00 -0.63 0.00 0.00 39.34 38.86 2qrs n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2qrs s ILE 124 N -1.66 0.04 -0.04 2.97 2.07 -1.19 -0.38 121.20 123.00 2qrs s ILE 124 Ca -0.02 -0.29 -0.14 0.00 -1.41 0.00 0.00 60.65 58.79 2qrs s ILE 124 Cb 0.00 -0.69 0.02 0.00 0.13 0.00 0.00 42.46 41.92 2qrs s ILE 124 CO 0.03 -0.16 0.30 0.00 -1.91 0.00 0.00 174.94 173.20 2qrs s ALA 125 N -1.03 -0.76 0.02 1.50 0.00 -0.55 -0.32 121.76 120.63 2qrs s ALA 125 Ca -0.11 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2qrs s ALA 125 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2qrs s ALA 125 CO 0.05 -0.23 1.02 -1.17 0.00 0.00 0.00 175.76 175.42 2qrs s LEU 126 N -1.00 4.38 0.69 0.00 2.96 -0.47 -0.75 118.68 124.49 2qrs s LEU 126 Ca -0.11 1.73 -0.11 0.00 -0.22 0.00 0.00 54.13 55.42 2qrs s LEU 126 Cb -0.05 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.08 2qrs s LEU 126 CO 0.03 -0.28 1.06 0.20 -1.32 0.00 0.00 176.35 176.04 2qrs s ASN 127 N 0.95 5.30 0.64 3.68 0.01 -0.31 -4.71 114.94 120.50 2qrs s ASN 127 Ca 0.53 1.68 0.29 0.00 -0.71 0.00 0.00 52.86 54.65 2qrs s ASN 127 Cb -0.23 -2.50 1.55 0.00 0.41 0.00 0.00 41.25 40.48 2qrs s ASN 127 CO 0.28 -1.50 1.90 -0.33 -1.51 0.00 0.00 177.10 175.95 2qrs h GLU 128 N -0.61 0.00 0.00 -0.60 5.08 -1.89 0.58 114.58 117.14 2qrs h GLU 128 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2qrs h GLU 128 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qrs h GLU 128 CO 0.56 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.17 2qrs n ASP 129 N -3.19 0.30 -2.31 1.42 5.68 -1.26 -4.88 116.55 112.32 2qrs n ASP 129 Ca 0.02 0.55 -0.20 0.00 -0.50 0.00 0.00 54.79 54.65 2qrs n ASP 129 Cb 0.48 -0.62 -0.02 0.00 -1.14 0.00 0.00 41.12 39.82 2qrs n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qrs n LEU 130 N -1.81 -1.85 0.00 -2.12 4.77 0.20 -4.79 117.00 111.41 2qrs n LEU 130 Ca 0.05 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2qrs n LEU 130 Cb 0.30 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.50 2qrs n LEU 130 CO 0.23 -0.31 -0.20 0.29 -1.33 0.00 0.00 177.39 176.06 2qrs n LYS 131 N -2.93 1.63 -4.52 3.23 5.02 -1.26 -4.62 118.16 114.72 2qrs n LYS 131 Ca -0.24 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.81 2qrs n LYS 131 Cb 0.68 -0.70 -0.11 0.00 -0.02 0.00 0.00 35.03 34.88 2qrs n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qrs s THR 132 N -1.41 1.67 0.13 -0.18 -4.23 -1.26 -4.83 115.64 105.53 2qrs s THR 132 Ca 0.00 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 58.58 2qrs s THR 132 Cb 0.00 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 2qrs s THR 132 CO 0.00 -0.07 -0.27 0.26 -0.54 0.00 0.00 174.62 174.00 2qrs s TRP 133 N -2.96 2.30 -0.29 3.99 0.52 -1.26 -1.16 118.94 120.08 2qrs s TRP 133 Ca 0.34 -0.38 -0.05 0.00 0.02 0.00 0.00 56.10 56.03 2qrs s TRP 133 Cb 0.08 -1.24 0.02 0.00 -1.15 0.00 0.00 33.47 31.18 2qrs s TRP 133 CO 0.16 0.34 0.04 0.99 0.02 0.00 0.00 176.95 178.51 2qrs s THR 134 N -1.09 3.63 -0.20 2.01 2.01 0.07 -4.91 115.64 117.16 2qrs s THR 134 Ca 0.14 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 2qrs s THR 134 Cb -0.10 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 2qrs s THR 134 CO 0.06 0.08 0.11 0.00 -0.69 0.00 0.00 174.62 174.19 2qrs s ALA 135 N 1.44 3.61 -0.49 7.40 0.00 -1.26 -1.48 121.76 130.98 2qrs s ALA 135 Ca 0.01 -0.72 0.24 0.00 0.00 0.00 0.00 51.96 51.50 2qrs s ALA 135 Cb -0.17 -2.12 0.48 0.00 0.00 0.00 0.00 23.12 21.31 2qrs s ALA 135 CO 0.01 0.14 1.66 0.00 0.00 0.00 0.00 175.76 177.57 2qrs h ALA 136 N 6.73 1.00 -2.52 0.00 0.00 -0.97 -3.47 119.26 120.02 2qrs h ALA 136 Ca -0.40 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2qrs h ALA 136 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2qrs h ALA 136 CO 0.74 0.00 0.01 -0.40 0.00 0.00 0.00 179.25 179.60 2qrs n ASP 137 N -2.91 -0.36 -0.02 0.00 5.68 -1.26 -5.03 116.55 112.66 2qrs n ASP 137 Ca 0.04 -1.34 -0.11 0.00 -0.50 0.00 0.00 54.79 52.88 2qrs n ASP 137 Cb 0.50 0.62 -0.06 0.00 -1.14 0.00 0.00 41.12 41.04 2qrs n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2qrs h MET 138 N 0.00 0.16 -0.84 0.11 1.85 -1.98 -2.63 114.93 111.61 2qrs h MET 138 Ca -0.06 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.07 2qrs h MET 138 Cb 0.24 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.18 2qrs h MET 138 CO 0.08 0.23 0.51 0.00 -0.40 0.00 0.00 176.91 177.33 2qrs h ALA 139 N 0.92 1.16 0.00 0.39 0.00 -1.92 -1.12 119.26 118.69 2qrs h ALA 139 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qrs h ALA 139 Cb 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qrs h ALA 139 CO -0.00 0.23 -0.11 0.00 0.00 0.00 0.00 179.25 179.37 2qrs h ALA 140 N 1.41 1.10 0.00 0.00 0.00 -1.81 -2.47 119.26 117.49 2qrs h ALA 140 Ca 0.37 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2qrs h ALA 140 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qrs h ALA 140 CO -0.19 0.13 -0.33 -0.07 0.00 0.00 0.00 179.25 178.80 2qrs h LEU 141 N 0.00 0.00 -0.42 0.00 3.38 -0.83 -0.74 115.31 116.69 2qrs h LEU 141 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2qrs h LEU 141 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2qrs h LEU 141 CO 0.01 0.33 -0.23 0.40 0.09 0.00 0.00 178.44 179.04 2qrs h ILE 142 N 0.00 1.28 -0.30 1.22 1.08 -1.44 -2.07 117.51 117.28 2qrs h ILE 142 Ca -0.00 -1.39 -0.04 0.00 -0.39 0.00 0.00 64.86 63.04 2qrs h ILE 142 Cb 0.66 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 2qrs h ILE 142 CO 0.04 0.47 0.02 0.74 -0.69 0.00 0.00 178.15 178.73 2qrs h THR 143 N 0.73 1.25 -0.50 -0.27 2.02 -1.42 -2.37 112.91 112.34 2qrs h THR 143 Ca 0.09 -0.88 0.07 0.00 0.77 0.00 0.00 66.41 66.46 2qrs h THR 143 Cb 0.81 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 68.40 2qrs h THR 143 CO 0.07 0.28 0.15 0.50 0.37 0.00 0.00 175.52 176.90 2qrs h LYS 144 N 0.31 0.31 -0.09 6.66 3.64 -1.07 0.32 116.57 126.65 2qrs h LYS 144 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2qrs h LYS 144 Cb 0.39 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2qrs h LYS 144 CO 0.01 0.20 0.05 1.25 -2.27 0.00 0.00 179.45 178.69 2qrs h HIS 145 N 0.32 0.13 -0.44 1.91 2.76 -1.33 0.91 115.15 119.40 2qrs h HIS 145 Ca 0.24 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.44 2qrs h HIS 145 Cb 0.28 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 2qrs h HIS 145 CO -0.18 0.19 0.24 0.87 -1.30 0.00 0.00 177.93 177.75 2qrs h LYS 146 N 0.03 0.47 -0.32 5.26 1.57 -0.86 -1.60 116.57 121.13 2qrs h LYS 146 Ca 0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2qrs h LYS 146 Cb 0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2qrs h LYS 146 CO -0.00 0.31 -0.11 -1.49 -0.57 0.00 0.00 179.45 177.58 2qrs h TRP 147 N 0.49 0.59 -0.29 -1.35 4.06 -0.07 -0.89 115.95 118.48 2qrs h TRP 147 Ca 0.18 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 61.01 2qrs h TRP 147 Cb 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 2qrs h TRP 147 CO -0.08 0.64 0.04 0.93 -3.56 0.00 0.00 178.44 176.41 2qrs h GLU 148 N 0.50 0.49 -0.63 0.49 5.08 -0.48 -0.47 114.58 119.57 2qrs h GLU 148 Ca 0.09 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2qrs h GLU 148 Cb 0.50 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2qrs h GLU 148 CO 0.03 0.61 0.21 1.96 -1.00 0.00 0.00 179.01 180.82 2qrs h GLN 149 N 0.31 0.94 0.00 2.33 4.20 -1.03 -2.79 115.11 119.07 2qrs h GLN 149 Ca 0.09 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2qrs h GLN 149 Cb 0.36 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2qrs h GLN 149 CO 0.01 0.80 -0.08 0.00 -0.67 0.00 0.00 178.83 178.89 2qrs n ALA 150 N -2.45 2.47 -2.28 3.87 0.00 -0.36 -4.93 120.51 116.83 2qrs n ALA 150 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 2qrs n ALA 150 Cb 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2qrs n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qrs n GLY 151 N 1.45 0.22 0.32 0.00 0.00 -0.41 -4.94 105.19 101.82 2qrs n GLY 151 Ca 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.51 2qrs n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qrs h GLU 152 N -0.19 0.73 -0.60 1.61 4.57 -1.42 -2.45 114.58 116.84 2qrs h GLU 152 Ca -0.15 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2qrs h GLU 152 Cb 1.11 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.52 2qrs h GLU 152 CO 0.17 0.55 0.34 0.00 -1.18 0.00 0.00 179.01 178.89 2qrs h ALA 153 N 1.57 1.46 -0.16 2.92 0.00 -1.88 -0.62 119.26 122.55 2qrs h ALA 153 Ca 0.19 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 2qrs h ALA 153 Cb 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qrs h ALA 153 CO -0.03 0.45 -0.75 0.93 0.00 0.00 0.00 179.25 179.85 2qrs h GLU 154 N 0.83 0.77 -0.66 0.00 5.08 -1.72 0.97 114.58 119.85 2qrs h GLU 154 Ca 0.22 -0.61 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2qrs h GLU 154 Cb 0.01 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2qrs h GLU 154 CO -0.04 1.22 0.44 -0.09 -1.00 0.00 0.00 179.01 179.54 2qrs h ARG 155 N 0.53 0.87 -0.30 2.33 2.43 -1.19 -1.31 114.38 117.75 2qrs h ARG 155 Ca -0.04 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 2qrs h ARG 155 Cb 1.37 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2qrs h ARG 155 CO 0.15 0.58 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.96 2qrs h LEU 156 N 0.90 0.65 -0.73 3.80 3.38 -0.96 -1.61 115.31 120.74 2qrs h LEU 156 Ca 0.24 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2qrs h LEU 156 Cb -0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 2qrs h LEU 156 CO -0.06 0.92 0.41 -0.09 0.09 0.00 0.00 178.44 179.71 2qrs h ARG 157 N 0.38 0.71 -0.71 1.13 2.43 -0.53 0.64 114.38 118.43 2qrs h ARG 157 Ca 0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2qrs h ARG 157 Cb 0.68 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2qrs h ARG 157 CO 0.05 0.47 0.31 0.00 -1.51 0.00 0.00 179.97 179.29 2qrs h ALA 158 N 1.39 0.92 -0.14 2.80 0.00 -1.08 0.54 119.26 123.69 2qrs h ALA 158 Ca 0.34 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2qrs h ALA 158 Cb 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qrs h ALA 158 CO -0.21 0.51 -0.14 -0.92 0.00 0.00 0.00 179.25 178.49 2qrs h TYR 159 N 1.00 0.41 -0.82 0.00 3.20 -0.22 -2.34 116.97 118.20 2qrs h TYR 159 Ca 0.24 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2qrs h TYR 159 Cb 0.16 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2qrs h TYR 159 CO 0.01 0.74 0.44 -0.07 -1.64 0.00 0.00 178.16 177.64 2qrs h LEU 160 N -0.03 1.04 0.00 2.82 3.38 0.49 0.04 115.31 123.05 2qrs h LEU 160 Ca 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2qrs h LEU 160 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2qrs h LEU 160 CO 0.04 0.85 -0.51 -0.33 0.09 0.00 0.00 178.44 178.58 2qrs h GLU 161 N 1.15 0.00 0.00 1.13 5.08 -0.96 -3.36 114.58 117.62 2qrs h GLU 161 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2qrs h GLU 161 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2qrs h GLU 161 CO -0.04 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 2qrs n GLY 162 N 1.17 0.28 0.35 -3.84 0.00 -0.88 -4.65 105.19 97.62 2qrs n GLY 162 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2qrs n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qrs h THR 163 N 0.00 0.09 -0.21 2.61 2.02 -1.64 -0.61 112.91 115.17 2qrs h THR 163 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2qrs h THR 163 Cb 0.00 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 2qrs h THR 163 CO 0.00 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.94 2qrs h VAL 165 N 0.13 1.23 -0.62 0.00 2.07 -1.39 -0.29 116.25 117.38 2qrs h VAL 165 Ca 0.10 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2qrs h VAL 165 Cb 0.09 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2qrs h VAL 165 CO -0.12 0.27 0.10 -0.33 0.02 0.00 0.00 177.57 177.50 2qrs h GLU 166 N 0.94 1.00 -0.32 1.57 5.08 -0.84 -0.83 114.58 121.18 2qrs h GLU 166 Ca 0.23 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2qrs h GLU 166 Cb 0.12 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qrs h GLU 166 CO -0.03 0.93 -0.39 -1.49 -1.00 0.00 0.00 179.01 177.03 2qrs h TRP 167 N 0.94 1.01 -0.98 4.33 4.06 -0.85 -2.10 115.95 122.36 2qrs h TRP 167 Ca 0.19 -0.32 0.05 0.00 2.06 0.00 0.00 58.89 60.87 2qrs h TRP 167 Cb 0.41 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.31 2qrs h TRP 167 CO 0.03 1.12 0.64 1.25 -3.56 0.00 0.00 178.44 177.92 2qrs h LEU 168 N 0.62 1.05 -0.47 -4.49 5.85 -0.73 0.55 115.31 117.68 2qrs h LEU 168 Ca 0.04 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2qrs h LEU 168 Cb 0.98 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2qrs h LEU 168 CO 0.09 0.70 0.06 -0.09 -0.34 0.00 0.00 178.44 178.86 2qrs h ARG 169 N 1.20 0.80 -0.54 1.25 2.43 -0.99 -0.58 114.38 117.96 2qrs h ARG 169 Ca 0.41 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2qrs h ARG 169 Cb 0.08 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2qrs h ARG 169 CO -0.14 0.82 0.24 -0.09 -1.51 0.00 0.00 179.97 179.29 2qrs h ARG 170 N 0.66 0.80 -0.43 0.20 2.43 -0.66 -1.23 114.38 116.15 2qrs h ARG 170 Ca 0.14 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2qrs h ARG 170 Cb 0.42 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2qrs h ARG 170 CO 0.01 0.68 -0.19 1.88 -1.51 0.00 0.00 179.97 180.84 2qrs h TYR 171 N 0.74 0.94 -0.54 2.20 0.05 -0.78 -2.10 116.97 117.48 2qrs h TYR 171 Ca 0.18 -0.20 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 2qrs h TYR 171 Cb 0.16 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 2qrs h TYR 171 CO 0.00 0.95 0.05 -0.07 -1.05 0.00 0.00 178.16 178.04 2qrs h LEU 172 N 0.73 0.88 0.37 3.88 3.38 -0.89 -1.41 115.31 122.25 2qrs h LEU 172 Ca 0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qrs h LEU 172 Cb 0.71 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2qrs h LEU 172 CO 0.05 0.94 -0.35 0.50 0.09 0.00 0.00 178.44 179.68 2qrs h LYS 173 N 0.79 -0.70 -0.04 1.13 3.64 -1.01 0.20 116.57 120.58 2qrs h LYS 173 Ca 0.16 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2qrs h LYS 173 Cb 0.45 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2qrs h LYS 173 CO 0.02 -0.47 0.00 -0.91 -2.27 0.00 0.00 179.45 175.82 2qrs h ASN 174 N -0.73 0.04 -0.23 4.20 -0.26 -1.27 -3.16 115.58 114.16 2qrs h ASN 174 Ca -0.03 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2qrs h ASN 174 Cb 0.65 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 2qrs h ASN 174 CO -0.05 0.05 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 2qrs n GLY 175 N -1.47 3.46 0.21 2.83 0.00 -0.54 -4.77 105.19 104.91 2qrs n GLY 175 Ca -0.02 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 2qrs n GLY 175 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2qrs h ASN 176 N 1.45 -0.53 -1.25 1.61 -1.07 -0.59 0.68 115.58 115.88 2qrs h ASN 176 Ca 0.00 0.10 0.36 0.00 0.07 0.00 0.00 56.30 56.83 2qrs h ASN 176 Cb 0.97 0.25 -0.08 0.00 -2.07 0.00 0.00 38.32 37.39 2qrs h ASN 176 CO 0.08 -0.22 0.85 0.00 0.07 0.00 0.00 177.43 178.21 2qrs h ALA 177 N 0.84 2.83 0.00 4.14 0.00 -1.86 -2.58 119.26 122.63 2qrs h ALA 177 Ca 0.10 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2qrs h ALA 177 Cb 0.36 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2qrs h ALA 177 CO -0.27 -1.28 -1.27 2.41 0.00 0.00 0.00 179.25 178.84 2qrs n THR 178 N -4.42 1.50 0.00 0.00 -1.04 -0.40 -4.57 114.28 105.35 2qrs n THR 178 Ca 0.30 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 2qrs n THR 178 Cb 1.25 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 2qrs n THR 178 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2qrs n LEU 179 N -4.45 0.00 -0.00 -4.42 4.77 0.22 -2.66 117.00 110.46 2qrs n LEU 179 Ca -0.27 0.39 0.07 0.00 -0.03 0.00 0.00 56.01 56.16 2qrs n LEU 179 Cb 0.59 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2qrs n LEU 179 CO 0.14 -0.39 -0.52 0.18 -1.33 0.00 0.00 177.39 175.47 2qrs n LEU 180 N -1.38 0.14 -4.57 2.23 4.77 -1.09 -5.02 117.00 112.06 2qrs n LEU 180 Ca 0.00 -0.11 -0.37 0.00 -0.03 0.00 0.00 56.01 55.51 2qrs n LEU 180 Cb 0.02 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 2qrs n LEU 180 CO 0.00 0.03 0.41 -1.14 -1.33 0.00 0.00 177.39 175.36 2qrs n ARG 181 N -1.83 0.60 -3.93 3.23 3.00 -1.09 -5.04 116.66 111.61 2qrs n ARG 181 Ca -0.01 0.25 -0.10 0.00 -0.00 0.00 0.00 57.85 57.98 2qrs n ARG 181 Cb 0.32 -2.08 -0.11 0.00 0.00 0.00 0.00 32.46 30.58 2qrs n ARG 181 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2qrs s THR 182 N -1.72 0.08 -0.19 5.15 -4.23 -1.26 -4.64 115.64 108.83 2qrs s THR 182 Ca 0.73 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2qrs s THR 182 Cb -0.38 -0.26 0.03 0.00 1.34 0.00 0.00 72.50 73.24 2qrs s THR 182 CO 0.51 -0.37 -0.16 -1.81 -0.54 0.00 0.00 174.62 172.24 2qrs s ASP 183 N -1.13 3.27 0.36 3.99 1.01 0.26 -4.94 116.67 119.49 2qrs s ASP 183 Ca -0.12 -0.76 -0.28 0.00 0.71 0.00 0.00 52.55 52.10 2qrs s ASP 183 Cb -0.07 -1.40 -0.10 0.00 1.01 0.00 0.00 42.92 42.35 2qrs s ASP 183 CO -0.00 -0.06 1.33 -0.94 0.21 0.00 0.00 175.17 175.71 2qrs s SER 184 N 1.31 6.60 0.28 0.27 1.04 -1.26 -1.07 113.70 120.86 2qrs s SER 184 Ca 0.02 2.72 -0.29 0.00 0.48 0.00 0.00 55.95 58.88 2qrs s SER 184 Cb -0.14 -2.65 -0.10 0.00 0.10 0.00 0.00 66.02 63.23 2qrs s SER 184 CO -0.11 -0.66 1.23 -2.16 0.98 0.00 0.00 173.24 172.52 2qrs s PRO 185 N -1.95 4.47 -0.27 4.02 0.04 -1.26 -4.47 135.00 135.57 2qrs s PRO 185 Ca 0.51 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 2qrs s PRO 185 Cb -0.40 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 2qrs s PRO 185 CO 0.53 -0.06 0.25 0.15 0.04 0.00 0.00 177.00 177.91 2qrs s LYS 186 N -1.24 3.99 0.30 4.56 1.02 -0.06 -4.85 119.74 123.46 2qrs s LYS 186 Ca 0.49 -0.19 0.10 0.00 0.02 0.00 0.00 55.97 56.39 2qrs s LYS 186 Cb -0.36 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.26 2qrs s LYS 186 CO 0.45 -0.18 -0.07 0.00 -0.92 0.00 0.00 175.35 174.63 2qrs s ALA 187 N 1.75 3.03 -0.09 5.17 0.00 -1.26 -0.49 121.76 129.88 2qrs s ALA 187 Ca 0.10 -1.85 -0.32 0.00 0.00 0.00 0.00 51.96 49.90 2qrs s ALA 187 Cb -0.16 -0.44 0.12 0.00 0.00 0.00 0.00 23.12 22.64 2qrs s ALA 187 CO 0.10 0.20 1.03 -3.38 0.00 0.00 0.00 175.76 173.71 2qrs s HIS 188 N -2.46 -0.25 -0.06 0.00 -3.43 -0.85 -4.99 115.29 103.25 2qrs s HIS 188 Ca 0.32 0.15 0.02 0.00 -0.80 0.00 0.00 55.06 54.76 2qrs s HIS 188 Cb -0.04 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.61 2qrs s HIS 188 CO 0.18 -0.39 -0.10 0.08 -2.00 0.00 0.00 174.74 172.50 2qrs s VAL 189 N -2.80 3.41 0.19 -5.38 1.01 -1.26 0.06 120.40 115.63 2qrs s VAL 189 Ca 0.07 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.54 2qrs s VAL 189 Cb -0.01 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2qrs s VAL 189 CO -0.07 0.59 -0.09 0.42 0.00 0.00 0.00 175.10 175.94 2qrs s THR 190 N -0.78 3.17 -0.12 3.92 -4.23 0.58 -4.72 115.64 113.46 2qrs s THR 190 Ca 0.12 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 2qrs s THR 190 Cb -0.11 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 2qrs s THR 190 CO 0.01 -0.15 -0.19 -2.28 -0.54 0.00 0.00 174.62 171.47 2qrs s HIS 191 N -1.81 2.68 -0.02 3.99 2.46 -1.26 -1.18 115.29 120.14 2qrs s HIS 191 Ca 0.26 -0.89 0.01 0.00 0.47 0.00 0.00 55.06 54.91 2qrs s HIS 191 Cb -0.08 -1.78 0.01 0.00 -0.13 0.00 0.00 32.58 30.60 2qrs s HIS 191 CO 0.16 -0.34 -0.05 -1.01 -2.47 0.00 0.00 174.74 171.03 2qrs s HIS 192 N 0.38 0.60 0.47 3.88 3.76 -0.25 -5.00 115.29 119.13 2qrs s HIS 192 Ca -0.15 -0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 54.43 2qrs s HIS 192 Cb -0.17 -0.48 -0.09 0.00 1.11 0.00 0.00 32.58 32.94 2qrs s HIS 192 CO 0.07 -0.10 1.00 -1.12 -0.85 0.00 0.00 174.74 173.75 2qrs s SER 193 N 0.42 6.57 0.23 1.40 0.01 -1.26 0.44 113.70 121.50 2qrs s SER 193 Ca -0.05 1.83 0.09 0.00 1.31 0.00 0.00 55.95 59.13 2qrs s SER 193 Cb -0.09 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2qrs s SER 193 CO -0.00 -0.62 -0.17 -0.60 0.41 0.00 0.00 173.24 172.26 2qrs s ARG 194 N -3.24 1.45 0.49 12.44 6.06 -0.04 -4.71 118.95 131.41 2qrs s ARG 194 Ca 0.65 -1.64 -0.21 0.00 -2.50 0.00 0.00 55.73 52.03 2qrs s ARG 194 Cb -0.13 -1.39 -0.09 0.00 0.06 0.00 0.00 34.95 33.40 2qrs s ARG 194 CO 0.18 0.25 0.80 -2.30 -2.50 0.00 0.00 175.30 171.72 2qrs n PRO 195 N -0.40 0.91 0.00 5.12 -0.02 -1.26 -4.38 135.00 134.97 2qrs n PRO 195 Ca -0.07 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2qrs n PRO 195 Cb 0.60 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2qrs n PRO 195 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qrs n GLU 196 N -0.06 0.00 0.20 -0.52 1.02 -1.26 -3.21 120.64 116.81 2qrs n GLU 196 Ca 0.11 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.31 2qrs n GLU 196 Cb 0.43 0.00 0.44 0.00 -0.02 0.00 0.00 31.44 32.29 2qrs n GLU 196 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2qrs h ASP 197 N 9.51 0.00 -4.16 1.62 3.04 -1.99 -3.47 116.42 120.97 2qrs h ASP 197 Ca 0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 2qrs h ASP 197 Cb 0.00 0.00 0.14 0.00 -1.04 0.00 0.00 39.33 38.43 2qrs h ASP 197 CO 0.00 0.31 0.41 -0.54 -2.04 0.00 0.00 179.24 177.38 2qrs s LYS 198 N -4.05 2.42 0.04 4.15 -0.14 -1.20 -1.60 119.74 119.37 2qrs s LYS 198 Ca -0.02 1.72 -0.05 0.00 -1.36 0.00 0.00 55.97 56.27 2qrs s LYS 198 Cb 0.13 -1.87 -0.01 0.00 -1.68 0.00 0.00 37.83 34.40 2qrs s LYS 198 CO 0.68 -1.61 0.07 0.14 -0.76 0.00 0.00 175.35 173.87 2qrs s VAL 199 N -1.94 0.14 -0.15 3.17 -7.23 -0.55 -0.86 120.40 112.97 2qrs s VAL 199 Ca 0.74 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.70 2qrs s VAL 199 Cb -0.28 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 2qrs s VAL 199 CO 0.42 -0.64 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.67 2qrs s THR 200 N -2.73 4.14 -0.21 5.32 2.01 0.17 -1.00 115.64 123.35 2qrs s THR 200 Ca -0.04 -0.27 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 2qrs s THR 200 Cb -0.00 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2qrs s THR 200 CO -0.05 0.50 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.58 2qrs s LEU 201 N 0.22 3.01 -0.19 4.42 1.43 -0.37 -1.08 118.68 126.12 2qrs s LEU 201 Ca -0.01 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2qrs s LEU 201 Cb -0.13 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2qrs s LEU 201 CO 0.02 0.02 -0.11 -0.60 0.23 0.00 0.00 176.35 175.91 2qrs s ARG 202 N 1.22 3.25 -0.31 1.70 3.52 -0.33 -1.17 118.95 126.83 2qrs s ARG 202 Ca 0.03 -0.71 -0.16 0.00 -0.13 0.00 0.00 55.73 54.76 2qrs s ARG 202 Cb -0.14 -2.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.45 2qrs s ARG 202 CO -0.01 -0.11 0.40 0.00 -0.81 0.00 0.00 175.30 174.78 2qrs s TRP 204 N 2.13 3.51 -0.17 0.00 0.52 0.11 -1.40 118.94 123.63 2qrs s TRP 204 Ca 0.15 0.45 0.00 0.00 0.02 0.00 0.00 56.10 56.72 2qrs s TRP 204 Cb -0.16 -1.96 0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2qrs s TRP 204 CO 0.11 0.62 -0.10 0.00 0.02 0.00 0.00 176.95 177.60 2qrs s ALA 205 N -0.74 1.79 0.13 0.98 0.00 -0.13 -2.01 121.76 121.78 2qrs s ALA 205 Ca 0.13 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.17 2qrs s ALA 205 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2qrs s ALA 205 CO 0.03 -0.67 -0.16 -0.51 0.00 0.00 0.00 175.76 174.44 2qrs s LEU 206 N 1.50 2.40 -1.78 0.00 1.43 0.36 -1.66 118.68 120.92 2qrs s LEU 206 Ca 0.01 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2qrs s LEU 206 Cb -0.15 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.39 2qrs s LEU 206 CO -0.09 -0.08 0.02 0.61 0.23 0.00 0.00 176.35 177.04 2qrs n GLY 207 N 0.54 -0.50 3.95 -3.19 0.00 -0.78 -0.88 105.19 104.33 2qrs n GLY 207 Ca -0.15 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2qrs n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qrs s PHE 208 N -3.05 3.28 -0.28 1.61 -0.71 -1.12 -4.66 117.98 113.05 2qrs s PHE 208 Ca 0.01 0.22 -0.20 0.00 -1.04 0.00 0.00 56.93 55.92 2qrs s PHE 208 Cb -0.01 -2.18 0.12 0.00 -1.21 0.00 0.00 43.02 39.75 2qrs s PHE 208 CO 0.01 -0.21 0.92 -0.47 -1.34 0.00 0.00 175.22 174.14 2qrs s TYR 209 N -2.46 -0.64 0.04 3.49 6.14 -0.23 -0.67 117.35 123.01 2qrs s TYR 209 Ca 0.46 1.39 -0.01 0.00 0.64 0.00 0.00 57.07 59.55 2qrs s TYR 209 Cb -0.10 0.40 0.01 0.00 0.42 0.00 0.00 41.96 42.69 2qrs s TYR 209 CO 0.37 -0.32 0.03 -0.35 0.64 0.00 0.00 175.55 175.92 2qrs n PRO 210 N 3.23 -1.32 0.14 4.97 -0.04 -1.26 0.92 135.00 141.64 2qrs n PRO 210 Ca -0.16 -0.05 0.01 0.00 -0.04 0.00 0.00 63.50 63.26 2qrs n PRO 210 Cb 0.57 -0.05 0.17 0.00 -0.04 0.00 0.00 33.50 34.15 2qrs n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qrs h ALA 211 N -2.03 0.84 -2.52 0.55 0.00 -1.95 -3.46 119.26 110.69 2qrs h ALA 211 Ca -0.01 -0.52 -0.55 0.00 0.00 0.00 0.00 54.91 53.83 2qrs h ALA 211 Cb 0.04 -0.09 0.07 0.00 0.00 0.00 0.00 17.79 17.81 2qrs h ALA 211 CO 0.01 0.71 0.85 -0.25 0.00 0.00 0.00 179.25 180.57 2qrs n ASP 212 N -3.54 3.50 -3.54 0.00 8.00 -1.26 -4.96 116.55 114.76 2qrs n ASP 212 Ca -0.00 1.10 -0.07 0.00 0.71 0.00 0.00 54.79 56.53 2qrs n ASP 212 Cb 0.64 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.21 2qrs n ASP 212 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2qrs s ILE 213 N 0.61 0.00 -0.01 0.53 2.07 -1.26 -4.60 121.20 118.54 2qrs s ILE 213 Ca 0.72 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.97 2qrs s ILE 213 Cb -0.58 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.02 2qrs s ILE 213 CO 0.41 0.00 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.51 2qrs s THR 214 N -2.70 0.32 -0.08 4.00 2.01 -0.71 -5.03 115.64 113.45 2qrs s THR 214 Ca 0.06 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.96 2qrs s THR 214 Cb -0.01 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.20 2qrs s THR 214 CO -0.07 0.12 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.07 2qrs s LEU 215 N 0.22 1.74 0.09 4.42 1.43 -1.26 -1.65 118.68 123.67 2qrs s LEU 215 Ca -0.02 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2qrs s LEU 215 Cb -0.05 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 2qrs s LEU 215 CO -0.00 0.05 -0.10 0.42 0.23 0.00 0.00 176.35 176.95 2qrs s THR 216 N 0.65 0.91 -0.06 5.49 -4.23 -0.39 -4.97 115.64 113.05 2qrs s THR 216 Ca -0.14 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 2qrs s THR 216 Cb -0.16 -1.25 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 2qrs s THR 216 CO 0.04 -0.51 -0.19 0.26 -0.54 0.00 0.00 174.62 173.69 2qrs s TRP 217 N -2.22 2.59 0.07 3.99 0.52 -1.26 0.45 118.94 123.08 2qrs s TRP 217 Ca 0.03 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 55.83 2qrs s TRP 217 Cb -0.04 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.62 2qrs s TRP 217 CO 0.00 -0.00 -0.22 -0.65 0.02 0.00 0.00 176.95 176.10 2qrs s GLN 218 N -0.43 1.38 -0.22 4.98 -0.21 0.81 -0.52 119.66 125.46 2qrs s GLN 218 Ca 0.05 -1.06 -0.00 0.00 0.02 0.00 0.00 55.36 54.37 2qrs s GLN 218 Cb -0.12 -1.58 0.06 0.00 1.00 0.00 0.00 33.01 32.37 2qrs s GLN 218 CO 0.02 0.39 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.38 2qrs s LEU 219 N -1.45 2.17 -1.14 2.90 2.96 -0.71 -1.64 118.68 121.76 2qrs s LEU 219 Ca 0.08 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 52.88 2qrs s LEU 219 Cb -0.09 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 2qrs s LEU 219 CO 0.03 -0.25 0.87 -3.20 -1.32 0.00 0.00 176.35 172.49 2qrs n ASN 220 N 4.77 -4.55 0.00 3.68 4.05 -1.26 -2.19 115.26 119.77 2qrs n ASN 220 Ca -0.11 -0.77 0.00 0.00 0.45 0.00 0.00 54.58 54.15 2qrs n ASN 220 Cb 0.45 -4.65 0.00 0.00 1.23 0.00 0.00 39.78 36.81 2qrs n ASN 220 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qrs n GLY 221 N -1.36 0.43 3.64 8.20 0.00 -1.26 -4.93 105.19 109.90 2qrs n GLY 221 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2qrs n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qrs s GLU 222 N -0.24 4.04 0.25 1.61 2.12 -0.93 -5.05 118.70 120.49 2qrs s GLU 222 Ca 0.00 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 2qrs s GLU 222 Cb 0.00 -3.58 -0.10 0.00 0.26 0.00 0.00 34.13 30.71 2qrs s GLU 222 CO 0.00 -0.02 1.40 -1.21 -0.54 0.00 0.00 175.26 174.88 2qrs s GLU 223 N 1.31 4.30 0.00 4.30 2.02 -1.26 -1.74 118.70 127.62 2qrs s GLU 223 Ca 0.08 2.24 0.26 0.00 0.02 0.00 0.00 54.97 57.57 2qrs s GLU 223 Cb -0.14 -3.12 0.71 0.00 0.10 0.00 0.00 34.13 31.67 2qrs s GLU 223 CO 0.07 -0.36 1.54 1.28 0.02 0.00 0.00 175.26 177.80 2qrs n LEU 224 N 2.26 0.89 0.00 1.80 4.77 0.32 -4.69 117.00 122.35 2qrs n LEU 224 Ca 0.06 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2qrs n LEU 224 Cb 0.41 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2qrs n LEU 224 CO 0.60 0.17 0.00 -0.38 -1.33 0.00 0.00 177.39 176.45 2qrs n ILE 225 N -0.85 0.00 -0.23 -0.08 5.41 -1.26 0.34 119.36 122.69 2qrs n ILE 225 Ca 0.11 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.76 2qrs n ILE 225 Cb 0.34 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.22 2qrs n ILE 225 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2qrs h GLN 226 N 0.00 -0.22 -4.02 0.38 -0.00 -1.99 -3.31 115.11 105.95 2qrs h GLN 226 Ca 0.00 0.02 -0.73 0.00 -0.00 0.00 0.00 58.65 57.94 2qrs h GLN 226 Cb 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 27.48 27.22 2qrs h GLN 226 CO 0.00 -0.15 -0.30 -0.51 0.00 0.00 0.00 178.83 177.87 2qrs s ASP 227 N -5.19 5.74 -0.02 -0.69 1.01 0.15 -5.02 116.67 112.66 2qrs s ASP 227 Ca -0.14 -2.33 -0.28 0.00 0.71 0.00 0.00 52.55 50.50 2qrs s ASP 227 Cb 0.12 -1.99 0.09 0.00 1.01 0.00 0.00 42.92 42.15 2qrs s ASP 227 CO 0.65 -0.57 1.28 0.00 0.21 0.00 0.00 175.17 176.74 2qrs s MET 228 N 0.72 0.39 0.06 8.23 0.23 -1.25 -4.82 119.30 122.86 2qrs s MET 228 Ca 0.11 -0.25 0.03 0.00 -1.03 0.00 0.00 55.69 54.55 2qrs s MET 228 Cb -0.21 0.11 -0.03 0.00 -1.53 0.00 0.00 34.83 33.16 2qrs s MET 228 CO -0.03 -0.18 -0.10 -2.00 -2.03 0.00 0.00 175.02 170.68 2qrs s GLU 229 N -2.02 0.64 0.20 3.16 2.12 0.37 -4.99 118.70 118.19 2qrs s GLU 229 Ca 0.30 -0.86 -0.23 0.00 0.36 0.00 0.00 54.97 54.54 2qrs s GLU 229 Cb -0.01 -0.45 0.05 0.00 0.26 0.00 0.00 34.13 33.98 2qrs s GLU 229 CO -0.00 0.09 0.68 -0.48 -0.54 0.00 0.00 175.26 175.00 2qrs s LEU 230 N -1.74 -0.41 0.21 2.70 0.05 -1.26 0.45 118.68 118.67 2qrs s LEU 230 Ca -0.06 -0.27 0.08 0.00 0.05 0.00 0.00 54.13 53.93 2qrs s LEU 230 Cb -0.09 2.60 -0.04 0.00 -2.05 0.00 0.00 46.19 46.61 2qrs s LEU 230 CO 0.01 -1.11 -0.01 0.68 -0.55 0.00 0.00 176.35 175.37 2qrs s VAL 231 N -3.76 3.59 0.31 1.48 -7.23 -1.10 -5.04 120.40 108.65 2qrs s VAL 231 Ca 0.06 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 2qrs s VAL 231 Cb -0.03 -2.84 -0.10 0.00 0.56 0.00 0.00 36.38 33.96 2qrs s VAL 231 CO -0.04 -0.20 1.30 -1.61 -0.31 0.00 0.00 175.10 174.24 2qrs s GLU 232 N -3.19 4.38 0.31 4.82 0.41 -1.26 -4.61 118.70 119.55 2qrs s GLU 232 Ca 0.28 2.17 -0.28 0.00 -0.41 0.00 0.00 54.97 56.74 2qrs s GLU 232 Cb -0.08 -3.09 -0.13 0.00 -1.78 0.00 0.00 34.13 29.04 2qrs s GLU 232 CO 0.19 -0.17 1.18 2.41 -0.49 0.00 0.00 175.26 178.37 2qrs n THR 233 N 1.08 1.91 -4.03 3.63 -1.04 -1.26 -4.90 114.28 109.67 2qrs n THR 233 Ca 0.01 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.05 61.43 2qrs n THR 233 Cb 0.42 -1.31 -0.11 0.00 -1.82 0.00 0.00 70.33 67.51 2qrs n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qrs s ARG 234 N -1.62 0.43 0.18 -2.82 1.70 -0.32 -4.96 118.95 111.54 2qrs s ARG 234 Ca 0.58 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.84 2qrs s ARG 234 Cb -0.64 -0.10 -0.08 0.00 -0.57 0.00 0.00 34.95 33.57 2qrs s ARG 234 CO 0.60 0.00 1.08 -1.25 -1.08 0.00 0.00 175.30 174.66 2qrs s PRO 235 N -1.57 4.61 0.31 3.89 0.04 -1.26 -0.04 135.00 140.98 2qrs s PRO 235 Ca -0.12 1.69 0.25 0.00 0.04 0.00 0.00 61.00 62.86 2qrs s PRO 235 Cb -0.10 -3.28 0.69 0.00 0.04 0.00 0.00 34.50 31.85 2qrs s PRO 235 CO -0.00 0.11 1.73 0.00 0.04 0.00 0.00 177.00 178.87 2qrs h ALA 236 N 5.08 1.00 0.00 8.56 0.00 -1.39 -3.47 119.26 129.04 2qrs h ALA 236 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qrs h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qrs h ALA 236 CO 0.72 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2qrs n GLY 237 N 1.07 0.40 1.01 0.00 0.00 -1.26 -4.66 105.19 101.74 2qrs n GLY 237 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2qrs n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qrs n ASP 238 N 0.00 3.81 0.00 1.61 5.68 -1.26 -4.93 116.55 121.46 2qrs n ASP 238 Ca 0.00 -2.49 0.00 0.00 -0.50 0.00 0.00 54.79 51.80 2qrs n ASP 238 Cb 0.00 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 2qrs n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qrs n GLY 239 N 0.32 2.99 3.98 6.12 0.00 -1.26 -5.07 105.19 112.27 2qrs n GLY 239 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2qrs n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qrs s THR 240 N -2.79 2.37 0.33 2.61 -4.23 -1.26 -4.92 115.64 107.75 2qrs s THR 240 Ca 0.00 -0.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 2qrs s THR 240 Cb 0.00 -2.80 -0.06 0.00 1.34 0.00 0.00 72.50 70.98 2qrs s THR 240 CO 0.00 0.00 0.01 -0.36 -0.54 0.00 0.00 174.62 173.73 2qrs s PHE 241 N -3.01 2.08 0.06 3.99 0.40 0.16 -1.02 117.98 120.64 2qrs s PHE 241 Ca 0.62 -0.80 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 2qrs s PHE 241 Cb -0.08 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 2qrs s PHE 241 CO 0.42 0.20 -0.05 -0.65 0.70 0.00 0.00 175.22 175.84 2qrs s GLN 242 N -3.79 0.59 -0.06 0.44 -0.21 0.94 -1.87 119.66 115.69 2qrs s GLN 242 Ca 0.34 -1.02 -0.29 0.00 0.02 0.00 0.00 55.36 54.40 2qrs s GLN 242 Cb 0.07 -0.03 0.10 0.00 1.00 0.00 0.00 33.01 34.15 2qrs s GLN 242 CO 0.15 -0.04 0.88 0.21 -2.12 0.00 0.00 175.29 174.37 2qrs s LYS 243 N -2.88 0.80 0.01 2.91 2.20 -0.67 -1.17 119.74 120.94 2qrs s LYS 243 Ca -0.00 -0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.44 2qrs s LYS 243 Cb -0.00 0.37 0.02 0.00 -1.51 0.00 0.00 37.83 36.70 2qrs s LYS 243 CO -0.04 -0.30 0.26 1.67 -0.36 0.00 0.00 175.35 176.57 2qrs s TRP 244 N -2.07 -0.09 -0.03 4.03 1.48 -1.26 -0.95 118.94 120.05 2qrs s TRP 244 Ca -0.00 0.06 0.02 0.00 -1.06 0.00 0.00 56.10 55.12 2qrs s TRP 244 Cb -0.01 0.05 0.01 0.00 -1.16 0.00 0.00 33.47 32.36 2qrs s TRP 244 CO -0.02 -0.39 -0.07 0.00 -4.06 0.00 0.00 176.95 172.40 2qrs s ALA 245 N -1.71 0.74 0.14 2.67 0.00 -0.50 -2.71 121.76 120.38 2qrs s ALA 245 Ca -0.11 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.70 2qrs s ALA 245 Cb -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2qrs s ALA 245 CO 0.01 0.09 -0.17 -1.54 0.00 0.00 0.00 175.76 174.15 2qrs s SER 246 N 0.37 2.37 0.01 0.00 1.04 0.17 0.80 113.70 118.46 2qrs s SER 246 Ca -0.05 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 2qrs s SER 246 Cb -0.09 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 2qrs s SER 246 CO 0.00 -0.06 0.01 0.54 0.98 0.00 0.00 173.24 174.72 2qrs s VAL 247 N -1.90 0.08 -0.21 5.02 0.11 -0.32 -0.47 120.40 122.71 2qrs s VAL 247 Ca 0.11 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 58.38 2qrs s VAL 247 Cb -0.06 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 2qrs s VAL 247 CO 0.05 -0.36 0.20 -0.69 -3.33 0.00 0.00 175.10 170.96 2qrs s VAL 248 N -1.10 5.35 0.20 2.04 1.01 -1.26 -1.24 120.40 125.39 2qrs s VAL 248 Ca -0.12 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2qrs s VAL 248 Cb -0.07 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2qrs s VAL 248 CO -0.00 0.37 -0.02 0.68 0.00 0.00 0.00 175.10 176.13 2qrs s VAL 249 N 0.75 0.96 0.41 2.92 -7.23 -0.17 -4.97 120.40 113.06 2qrs s VAL 249 Ca 0.10 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 58.00 2qrs s VAL 249 Cb -0.13 -2.19 -0.08 0.00 0.56 0.00 0.00 36.38 34.54 2qrs s VAL 249 CO 0.02 -0.44 1.19 -2.84 -0.31 0.00 0.00 175.10 172.73 2qrs s PRO 250 N -3.86 4.00 0.31 4.82 0.02 -1.26 -1.48 135.00 137.56 2qrs s PRO 250 Ca 0.25 1.89 -0.29 0.00 0.02 0.00 0.00 61.00 62.86 2qrs s PRO 250 Cb 0.05 -2.66 -0.11 0.00 0.02 0.00 0.00 34.50 31.80 2qrs s PRO 250 CO 0.06 -0.38 1.56 -1.17 -0.33 0.00 0.00 177.00 176.74 2qrs s LEU 251 N -2.54 4.34 0.00 -5.54 2.96 -0.63 -1.75 118.68 115.52 2qrs s LEU 251 Ca 0.58 2.97 0.00 0.00 -0.22 0.00 0.00 54.13 57.46 2qrs s LEU 251 Cb -0.32 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.73 2qrs s LEU 251 CO 0.40 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 2qrs n GLY 252 N 1.73 1.76 0.95 7.98 0.00 -1.26 -4.87 105.19 111.48 2qrs n GLY 252 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2qrs n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qrs n LYS 253 N -2.00 3.02 -0.35 1.61 4.76 -0.72 -4.67 118.16 119.80 2qrs n LYS 253 Ca 0.00 -2.42 0.14 0.00 -2.87 0.00 0.00 58.31 53.15 2qrs n LYS 253 Cb 0.00 -1.52 0.33 0.00 -1.84 0.00 0.00 35.03 32.00 2qrs n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2qrs h GLU 254 N 2.68 0.72 0.00 1.97 3.07 -1.90 -0.97 114.58 120.16 2qrs h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2qrs h GLU 254 Cb 1.01 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2qrs h GLU 254 CO 0.08 0.48 0.00 1.04 -1.40 0.00 0.00 179.01 179.20 2qrs n GLN 255 N -4.78 0.59 0.00 2.33 1.13 -1.26 -2.23 117.38 113.16 2qrs n GLN 255 Ca 0.24 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.42 2qrs n GLN 255 Cb 0.60 -1.42 0.18 0.00 0.11 0.00 0.00 30.24 29.71 2qrs n GLN 255 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qrs n TYR 256 N -0.92 0.00 -4.46 1.08 4.02 -0.37 -4.92 117.16 111.60 2qrs n TYR 256 Ca 0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.70 2qrs n TYR 256 Cb 0.05 -0.10 -0.11 0.00 -0.02 0.00 0.00 39.34 39.16 2qrs n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qrs s TYR 257 N -2.68 2.77 0.03 -0.72 1.51 -0.95 -3.99 117.35 113.33 2qrs s TYR 257 Ca 0.18 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 2qrs s TYR 257 Cb 0.18 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 2qrs s TYR 257 CO 0.62 0.35 -0.07 0.95 -1.11 0.00 0.00 175.55 176.29 2qrs s THR 258 N -1.03 0.54 -0.12 -0.71 -4.23 -0.65 -4.59 115.64 104.84 2qrs s THR 258 Ca 0.18 -0.84 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2qrs s THR 258 Cb -0.11 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 2qrs s THR 258 CO 0.08 -0.22 0.07 0.00 -0.54 0.00 0.00 174.62 174.01 2qrs s HIS 260 N -0.69 2.69 -0.33 0.00 3.76 0.17 -1.25 115.29 119.64 2qrs s HIS 260 Ca 0.12 -1.03 0.01 0.00 -0.15 0.00 0.00 55.06 54.00 2qrs s HIS 260 Cb -0.12 -1.81 0.08 0.00 1.11 0.00 0.00 32.58 31.85 2qrs s HIS 260 CO 0.02 -0.44 0.05 0.08 -0.85 0.00 0.00 174.74 173.61 2qrs s VAL 261 N 0.57 2.70 -0.37 -0.90 1.01 -0.52 -1.26 120.40 121.63 2qrs s VAL 261 Ca -0.11 -1.89 -0.14 0.00 0.00 0.00 0.00 61.98 59.84 2qrs s VAL 261 Cb -0.16 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 2qrs s VAL 261 CO 0.04 -0.39 0.30 -0.31 0.00 0.00 0.00 175.10 174.74 2qrs s TYR 262 N 1.09 3.22 -0.02 5.22 1.51 -0.66 -1.13 117.35 126.59 2qrs s TYR 262 Ca 0.02 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 2qrs s TYR 262 Cb -0.20 -2.59 -0.00 0.00 -0.11 0.00 0.00 41.96 39.06 2qrs s TYR 262 CO -0.05 -0.48 -0.10 -1.58 -1.11 0.00 0.00 175.55 172.23 2qrs s HIS 263 N 1.80 0.97 -0.38 2.71 2.46 -1.26 -1.74 115.29 119.85 2qrs s HIS 263 Ca 0.07 -0.21 0.15 0.00 0.47 0.00 0.00 55.06 55.54 2qrs s HIS 263 Cb -0.18 -0.65 0.82 0.00 -0.13 0.00 0.00 32.58 32.44 2qrs s HIS 263 CO 0.11 -0.05 1.45 0.00 -2.47 0.00 0.00 174.74 173.77 2qrs n GLN 264 N 3.02 0.10 -0.09 2.88 10.64 -1.26 -0.57 117.38 132.09 2qrs n GLN 264 Ca -0.16 0.59 0.12 0.00 -1.83 0.00 0.00 57.00 55.72 2qrs n GLN 264 Cb 0.55 -1.86 0.22 0.00 -0.86 0.00 0.00 30.24 28.30 2qrs n GLN 264 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qrs n GLY 265 N -1.34 1.14 3.82 2.61 0.00 -1.26 -4.92 105.19 105.23 2qrs n GLY 265 Ca -0.01 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 2qrs n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrs s LEU 266 N -1.73 4.29 0.28 0.99 1.43 0.26 -4.56 118.68 119.64 2qrs s LEU 266 Ca 0.34 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2qrs s LEU 266 Cb 0.21 -2.07 0.67 0.00 0.03 0.00 0.00 46.19 45.03 2qrs s LEU 266 CO 0.31 0.32 1.65 -0.65 0.23 0.00 0.00 176.35 178.21 2qrs h PRO 267 N 5.63 0.22 -3.27 1.29 0.11 -1.91 -3.44 132.00 130.63 2qrs h PRO 267 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2qrs h PRO 267 Cb 1.20 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 2qrs h PRO 267 CO 0.65 0.15 0.05 -1.83 -0.21 0.00 0.00 178.00 176.80 2qrs s GLU 268 N -5.95 1.38 0.22 1.05 1.03 -1.26 -5.13 118.70 110.04 2qrs s GLU 268 Ca -0.12 -0.83 -0.31 0.00 0.03 0.00 0.00 54.97 53.73 2qrs s GLU 268 Cb 0.25 0.53 -0.14 0.00 -0.80 0.00 0.00 34.13 33.97 2qrs s GLU 268 CO 0.77 -0.59 1.24 -2.30 -1.33 0.00 0.00 175.26 173.05 2qrs n PRO 269 N -0.35 1.56 -3.00 -4.83 -0.02 -1.26 -4.89 135.00 122.21 2qrs n PRO 269 Ca -0.10 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 2qrs n PRO 269 Cb 0.63 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 2qrs n PRO 269 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qrs s LEU 270 N 0.35 4.37 -0.11 2.45 2.96 -0.28 -4.87 118.68 123.55 2qrs s LEU 270 Ca 0.69 1.56 0.02 0.00 -0.22 0.00 0.00 54.13 56.18 2qrs s LEU 270 Cb -0.74 -3.67 0.01 0.00 0.50 0.00 0.00 46.19 42.29 2qrs s LEU 270 CO 0.53 0.03 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.53 2qrs s THR 271 N -1.50 1.61 0.05 3.68 2.01 -1.26 -1.44 115.64 118.79 2qrs s THR 271 Ca 0.44 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 2qrs s THR 271 Cb -0.18 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 2qrs s THR 271 CO 0.22 0.46 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.82 2qrs s LEU 272 N 0.91 2.44 0.08 4.42 1.43 -0.38 -4.97 118.68 122.60 2qrs s LEU 272 Ca -0.08 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 2qrs s LEU 272 Cb -0.15 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 2qrs s LEU 272 CO -0.01 -0.51 -0.04 -0.13 0.23 0.00 0.00 176.35 175.89 2qrs s ARG 273 N -3.40 0.73 0.23 1.70 0.52 -1.26 0.28 118.95 117.75 2qrs s ARG 273 Ca 0.03 -1.29 -0.31 0.00 -0.52 0.00 0.00 55.73 53.65 2qrs s ARG 273 Cb 0.04 0.01 -0.11 0.00 0.52 0.00 0.00 34.95 35.41 2qrs s ARG 273 CO -0.07 -0.07 1.58 -0.46 0.02 0.00 0.00 175.30 176.30 2qrs s TRP 274 N -3.78 2.92 -0.24 -0.53 -0.11 -1.26 -4.72 118.94 111.22 2qrs s TRP 274 Ca 0.10 0.69 -0.01 0.00 1.22 0.00 0.00 56.10 58.10 2qrs s TRP 274 Cb 0.07 -4.00 0.02 0.00 -1.50 0.00 0.00 33.47 28.06 2qrs s TRP 274 CO -0.07 -3.52 -0.08 -2.00 -4.62 0.00 0.00 176.95 166.66 2qrs s GLU 275 N 0.34 2.91 0.00 5.86 2.56 -1.26 -4.89 118.70 124.22 2qrs s GLU 275 Ca 0.67 -0.92 0.18 0.00 0.00 0.00 0.00 54.97 54.89 2qrs s GLU 275 Cb -0.46 -2.93 1.05 0.00 2.00 0.00 0.00 34.13 33.80 2qrs s GLU 275 CO 0.39 -0.35 1.45 -0.35 -0.56 0.00 0.00 175.26 175.84