#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1y n GLY 2 N 0.00 -2.53 3.76 -5.12 0.00 -1.26 -5.09 105.19 94.95 2a1y n GLY 2 Ca 0.00 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 2a1y n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1y s ASN 3 N -2.75 7.18 -0.17 1.61 6.03 -1.26 -5.04 114.94 120.54 2a1y s ASN 3 Ca 0.00 2.29 -0.09 0.00 -1.03 0.00 0.00 52.86 54.03 2a1y s ASN 3 Cb 0.00 -2.63 -0.05 0.00 -3.03 0.00 0.00 41.25 35.55 2a1y s ASN 3 CO 0.00 -0.20 0.12 0.54 -2.03 0.00 0.00 177.10 175.52 2a1y s VAL 4 N -1.20 5.29 0.38 3.54 0.11 -1.26 -4.95 120.40 122.31 2a1y s VAL 4 Ca 0.46 0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 59.50 2a1y s VAL 4 Cb -0.32 -3.37 0.05 0.00 -1.53 0.00 0.00 36.38 31.21 2a1y s VAL 4 CO 0.41 0.50 0.77 0.72 -3.33 0.00 0.00 175.10 174.17 2a1y s PHE 5 N -0.03 0.16 0.18 1.54 -0.12 -1.26 -5.06 117.98 113.38 2a1y s PHE 5 Ca 0.09 -0.81 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 2a1y s PHE 5 Cb -0.11 0.79 -0.01 0.00 -0.63 0.00 0.00 43.02 43.06 2a1y s PHE 5 CO 0.00 -1.54 0.19 -3.47 -0.05 0.00 0.00 175.22 170.35 2a1y n ASP 6 N -1.38 -0.49 -0.30 1.98 -0.08 -1.26 -2.83 116.55 112.18 2a1y n ASP 6 Ca -0.08 -2.11 0.08 0.00 -1.51 0.00 0.00 54.79 51.17 2a1y n ASP 6 Cb 0.60 1.05 0.24 0.00 2.34 0.00 0.00 41.12 45.35 2a1y n ASP 6 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2a1y h TYR 7 N 1.56 0.77 0.00 -0.67 -1.99 -1.93 -0.84 116.97 113.88 2a1y h TYR 7 Ca -0.13 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.63 2a1y h TYR 7 Cb 0.64 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.16 2a1y h TYR 7 CO 0.00 0.15 0.00 -0.85 -0.00 0.00 0.00 178.16 177.46 2a1y n GLU 8 N -4.89 0.61 0.09 4.88 0.00 -1.26 -2.75 120.64 117.32 2a1y n GLU 8 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.46 2a1y n GLU 8 Cb 0.47 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.41 2a1y n GLU 8 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2a1y n ASP 9 N -1.19 0.78 -4.70 -1.84 8.00 -0.32 -2.81 116.55 114.47 2a1y n ASP 9 Ca 0.17 0.29 -0.37 0.00 0.71 0.00 0.00 54.79 55.59 2a1y n ASP 9 Cb 0.20 0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 41.77 2a1y n ASP 9 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2a1y s ILE 10 N -3.37 5.27 -0.09 0.53 -1.09 -1.11 0.45 121.20 121.79 2a1y s ILE 10 Ca -0.01 0.60 0.04 0.00 -2.23 0.00 0.00 60.65 59.05 2a1y s ILE 10 Cb 0.10 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 2a1y s ILE 10 CO 0.80 0.33 -0.23 -1.10 -1.23 0.00 0.00 174.94 173.51 2a1y s GLN 11 N 0.82 2.96 0.11 2.79 -1.52 -0.27 -4.90 119.66 119.65 2a1y s GLN 11 Ca 0.17 -0.86 -0.13 0.00 -1.95 0.00 0.00 55.36 52.60 2a1y s GLN 11 Cb -0.14 -2.31 -0.06 0.00 -0.22 0.00 0.00 33.01 30.28 2a1y s GLN 11 CO 0.06 0.25 0.48 -0.51 -0.25 0.00 0.00 175.29 175.32 2a1y s LEU 12 N 0.19 4.36 -0.21 2.90 1.43 -1.26 -0.85 118.68 125.23 2a1y s LEU 12 Ca -0.13 0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 53.84 2a1y s LEU 12 Cb -0.16 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 2a1y s LEU 12 CO 0.07 0.15 0.12 -0.63 0.23 0.00 0.00 176.35 176.30 2a1y s ILE 13 N -1.40 5.23 0.24 -0.59 1.01 0.82 -4.95 121.20 121.57 2a1y s ILE 13 Ca 0.35 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.83 2a1y s ILE 13 Cb -0.15 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 2a1y s ILE 13 CO 0.18 0.41 1.23 -2.84 0.00 0.00 0.00 174.94 173.92 2a1y s PRO 14 N 0.66 4.47 0.46 2.79 0.02 -1.26 -4.32 135.00 137.83 2a1y s PRO 14 Ca 0.07 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.15 2a1y s PRO 14 Cb -0.12 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.24 2a1y s PRO 14 CO 0.01 -0.08 0.55 0.00 -0.33 0.00 0.00 177.00 177.14 2a1y s ALA 15 N -0.51 4.43 0.07 -1.55 0.00 0.19 -5.00 121.76 119.38 2a1y s ALA 15 Ca 0.51 -1.80 -0.33 0.00 0.00 0.00 0.00 51.96 50.34 2a1y s ALA 15 Cb -0.35 -1.34 -0.12 0.00 0.00 0.00 0.00 23.12 21.31 2a1y s ALA 15 CO 0.42 -0.40 1.76 1.17 0.00 0.00 0.00 175.76 178.71 2a1y n LYS 16 N -1.84 2.37 -2.33 0.00 4.81 -1.26 -3.99 118.16 115.92 2a1y n LYS 16 Ca 0.08 0.86 -0.42 0.00 -0.87 0.00 0.00 58.31 57.95 2a1y n LYS 16 Cb 0.61 -2.70 -0.03 0.00 0.02 0.00 0.00 35.03 32.94 2a1y n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2a1y n ILE 18 N 4.83 2.40 -4.21 0.00 -5.35 -1.26 -5.02 119.36 110.75 2a1y n ILE 18 Ca 0.13 -2.05 -0.14 0.00 -0.27 0.00 0.00 62.75 60.42 2a1y n ILE 18 Cb 0.45 -0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 37.96 2a1y n ILE 18 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2a1y s VAL 19 N -2.94 0.99 -0.12 7.28 -7.23 -1.26 -5.01 120.40 112.11 2a1y s VAL 19 Ca 0.44 -1.88 0.20 0.00 -1.81 0.00 0.00 61.98 58.92 2a1y s VAL 19 Cb 0.36 -1.64 -0.28 0.00 0.56 0.00 0.00 36.38 35.38 2a1y s VAL 19 CO 0.07 -0.70 0.28 0.59 -0.31 0.00 0.00 175.10 175.03 2a1y n ASN 20 N 0.11 0.04 -3.84 4.85 3.02 -1.26 -4.92 115.26 113.26 2a1y n ASN 20 Ca -0.13 0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.32 2a1y n ASN 20 Cb 0.60 1.39 -0.14 0.00 -0.61 0.00 0.00 39.78 41.02 2a1y n ASN 20 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2a1y s SER 21 N -5.08 -0.05 0.45 6.41 0.15 -1.26 -5.03 113.70 109.28 2a1y s SER 21 Ca -0.09 0.12 0.18 0.00 0.70 0.00 0.00 55.95 56.86 2a1y s SER 21 Cb 0.10 0.11 1.13 0.00 -1.71 0.00 0.00 66.02 65.64 2a1y s SER 21 CO 0.86 -0.03 1.94 0.08 1.20 0.00 0.00 173.24 177.29 2a1y h ARG 22 N 6.17 0.31 -1.05 5.44 0.11 -1.91 -0.76 114.38 122.70 2a1y h ARG 22 Ca -0.26 -0.02 0.30 0.00 0.10 0.00 0.00 59.98 60.10 2a1y h ARG 22 Cb 1.20 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 32.17 2a1y h ARG 22 CO 0.47 0.21 1.19 0.43 0.10 0.00 0.00 179.97 182.37 2a1y n SER 23 N -4.45 0.00 -0.45 0.08 7.64 -1.26 -0.10 113.62 115.08 2a1y n SER 23 Ca 0.13 0.74 0.09 0.00 1.01 0.00 0.00 58.87 60.85 2a1y n SER 23 Cb 0.55 -0.26 0.36 0.00 -1.01 0.00 0.00 64.21 63.85 2a1y n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2a1y n GLU 24 N -3.20 1.59 -3.92 1.43 1.02 -0.29 -4.88 120.64 112.40 2a1y n GLU 24 Ca 0.24 -0.89 -0.37 0.00 -0.02 0.00 0.00 57.16 56.12 2a1y n GLU 24 Cb 1.50 -1.34 -0.06 0.00 -0.02 0.00 0.00 31.44 31.51 2a1y n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a1y s ASP 26 N -0.93 4.17 0.00 0.00 -1.08 0.19 -4.92 116.67 114.10 2a1y s ASP 26 Ca 0.14 -0.40 0.11 0.00 -0.52 0.00 0.00 52.55 51.89 2a1y s ASP 26 Cb -0.12 -1.70 0.19 0.00 -1.46 0.00 0.00 42.92 39.83 2a1y s ASP 26 CO 0.04 0.01 1.04 0.35 0.52 0.00 0.00 175.17 177.13 2a1y n THR 27 N 4.56 0.45 -0.69 1.71 -2.24 -1.26 -1.61 114.28 115.19 2a1y n THR 27 Ca -0.18 -0.73 -0.31 0.00 -2.27 0.00 0.00 64.05 60.56 2a1y n THR 27 Cb 0.51 0.90 0.16 0.00 -2.10 0.00 0.00 70.33 69.81 2a1y n THR 27 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2a1y n THR 28 N 0.59 0.00 -4.00 4.28 -2.24 -1.20 -3.90 114.28 107.82 2a1y n THR 28 Ca 0.09 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 2a1y n THR 28 Cb 0.35 -0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 67.66 2a1y n THR 28 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2a1y s VAL 29 N -2.53 0.00 -0.01 2.28 0.11 -0.86 -4.75 120.40 114.64 2a1y s VAL 29 Ca 0.64 -1.40 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 2a1y s VAL 29 Cb -0.22 -2.28 -0.01 0.00 -1.53 0.00 0.00 36.38 32.34 2a1y s VAL 29 CO 0.62 0.00 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.37 2a1y s THR 30 N -3.82 0.97 -0.08 5.04 2.01 -1.26 0.62 115.64 119.11 2a1y s THR 30 Ca 0.23 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2a1y s THR 30 Cb -0.01 -0.81 0.04 0.00 0.01 0.00 0.00 72.50 71.73 2a1y s THR 30 CO 0.10 0.25 0.11 -0.22 -0.69 0.00 0.00 174.62 174.18 2a1y s LEU 31 N -0.35 0.05 0.00 4.42 2.96 -0.00 -4.99 118.68 120.77 2a1y s LEU 31 Ca 0.04 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2a1y s LEU 31 Cb -0.05 0.06 0.00 0.00 0.50 0.00 0.00 46.19 46.70 2a1y s LEU 31 CO -0.00 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 2a1y n GLY 32 N 5.31 2.86 0.76 7.98 0.00 -1.26 -2.56 105.19 118.29 2a1y n GLY 32 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.02 2a1y n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a1y n LYS 33 N 14.00 1.96 -4.09 1.61 4.76 -1.26 -4.85 118.16 130.29 2a1y n LYS 33 Ca 0.00 -0.90 -0.11 0.00 -2.87 0.00 0.00 58.31 54.43 2a1y n LYS 33 Cb 0.00 -1.55 -0.11 0.00 -1.84 0.00 0.00 35.03 31.53 2a1y n LYS 33 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2a1y s HIS 34 N -1.59 0.69 -0.05 2.13 3.76 -1.06 -5.15 115.29 114.03 2a1y s HIS 34 Ca 0.16 -0.71 0.04 0.00 -0.15 0.00 0.00 55.06 54.40 2a1y s HIS 34 Cb 0.11 -0.42 -0.00 0.00 1.11 0.00 0.00 32.58 33.38 2a1y s HIS 34 CO 0.06 -0.15 -0.19 0.21 -0.85 0.00 0.00 174.74 173.83 2a1y s LYS 35 N -2.60 1.98 0.18 1.40 2.20 -1.26 -0.82 119.74 120.82 2a1y s LYS 35 Ca -0.01 -0.66 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 2a1y s LYS 35 Cb -0.03 -1.69 -0.05 0.00 -1.51 0.00 0.00 37.83 34.56 2a1y s LYS 35 CO -0.03 0.25 -0.09 -0.06 -0.36 0.00 0.00 175.35 175.06 2a1y s PHE 36 N 0.06 1.46 0.25 4.03 0.08 0.20 -4.91 117.98 119.16 2a1y s PHE 36 Ca -0.05 -0.74 0.06 0.00 0.12 0.00 0.00 56.93 56.31 2a1y s PHE 36 Cb -0.13 -0.75 0.31 0.00 -0.57 0.00 0.00 43.02 41.89 2a1y s PHE 36 CO 0.03 0.14 1.60 0.87 -0.10 0.00 0.00 175.22 177.75 2a1y h LYS 37 N 2.65 0.20 -3.88 0.44 1.57 0.41 -2.29 116.57 115.66 2a1y h LYS 37 Ca -0.37 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.08 2a1y h LYS 37 Cb 1.21 0.02 -0.24 0.00 0.08 0.00 0.00 32.23 33.29 2a1y h LYS 37 CO 0.64 0.71 -0.71 -0.51 -0.57 0.00 0.00 179.45 179.00 2a1y s LEU 38 N -7.94 2.12 0.00 2.94 1.43 -1.26 -3.22 118.68 112.76 2a1y s LEU 38 Ca -0.04 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2a1y s LEU 38 Cb 0.12 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.38 2a1y s LEU 38 CO 0.79 -0.15 0.84 -0.81 0.23 0.00 0.00 176.35 177.25 2a1y n PRO 39 N 2.32 0.65 -4.31 1.29 -0.04 -1.25 -4.73 135.00 128.92 2a1y n PRO 39 Ca -0.18 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.08 2a1y n PRO 39 Cb 0.57 -1.18 -0.11 0.00 -0.04 0.00 0.00 33.50 32.75 2a1y n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2a1y s VAL 40 N 0.46 1.64 -0.14 0.52 -7.23 -1.26 -0.39 120.40 114.00 2a1y s VAL 40 Ca 0.00 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.10 2a1y s VAL 40 Cb 0.00 -1.83 0.05 0.00 0.56 0.00 0.00 36.38 35.15 2a1y s VAL 40 CO 0.00 -0.45 0.36 0.54 -0.31 0.00 0.00 175.10 175.23 2a1y s VAL 41 N -2.43 -0.02 0.59 1.32 0.11 0.01 -4.48 120.40 115.50 2a1y s VAL 41 Ca 0.16 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 59.10 2a1y s VAL 41 Cb -0.03 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2a1y s VAL 41 CO 0.06 0.03 1.16 -2.84 -3.33 0.00 0.00 175.10 170.17 2a1y s PRO 42 N 0.88 3.03 0.34 1.54 0.02 -1.26 -1.00 135.00 138.54 2a1y s PRO 42 Ca -0.06 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.35 2a1y s PRO 42 Cb -0.06 -1.95 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 2a1y s PRO 42 CO -0.07 -1.12 1.39 0.00 -0.33 0.00 0.00 177.00 176.88 2a1y n ALA 43 N -1.70 1.74 -1.41 -1.55 0.00 0.18 -4.49 120.51 113.28 2a1y n ALA 43 Ca 0.12 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.53 2a1y n ALA 43 Cb 0.51 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2a1y n ALA 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2a1y n ASN 44 N 0.95 7.22 -4.21 0.00 6.94 -1.26 -4.24 115.26 120.67 2a1y n ASN 44 Ca 0.05 -2.64 -0.22 0.00 -0.02 0.00 0.00 54.58 51.75 2a1y n ASN 44 Cb 0.36 -1.57 -0.13 0.00 -2.36 0.00 0.00 39.78 36.08 2a1y n ASN 44 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2a1y s MET 45 N 2.53 1.06 0.30 -3.83 -1.94 -1.26 -4.22 119.30 111.94 2a1y s MET 45 Ca 0.62 -0.93 0.23 0.00 -1.71 0.00 0.00 55.69 53.91 2a1y s MET 45 Cb 0.17 -1.16 1.09 0.00 2.01 0.00 0.00 34.83 36.94 2a1y s MET 45 CO -0.07 0.28 1.70 0.00 -0.01 0.00 0.00 175.02 176.93 2a1y n GLN 46 N 1.59 0.18 0.00 2.03 10.64 -1.26 -0.28 117.38 130.28 2a1y n GLN 46 Ca -0.19 0.53 0.13 0.00 -1.83 0.00 0.00 57.00 55.64 2a1y n GLN 46 Cb 0.54 -1.93 0.36 0.00 -0.86 0.00 0.00 30.24 28.35 2a1y n GLN 46 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2a1y n THR 47 N -2.28 0.00 -0.00 -0.39 -2.24 -1.26 -4.42 114.28 103.69 2a1y n THR 47 Ca 0.00 -0.10 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2a1y n THR 47 Cb 0.14 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2a1y n THR 47 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2a1y n ILE 48 N -0.81 0.03 -5.01 2.28 2.08 0.16 -4.27 119.36 113.81 2a1y n ILE 48 Ca 0.11 -0.01 -0.29 0.00 0.56 0.00 0.00 62.75 63.12 2a1y n ILE 48 Cb 0.34 -0.88 -0.15 0.00 -0.75 0.00 0.00 39.64 38.21 2a1y n ILE 48 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 2a1y s ILE 49 N -2.01 1.93 0.34 1.39 1.10 0.62 -4.58 121.20 119.98 2a1y s ILE 49 Ca -0.01 -1.17 0.06 0.00 -0.51 0.00 0.00 60.65 59.02 2a1y s ILE 49 Cb 0.00 -1.63 -0.02 0.00 0.15 0.00 0.00 42.46 40.96 2a1y s ILE 49 CO 0.01 0.42 0.32 1.51 -2.11 0.00 0.00 174.94 175.10 2a1y s ASP 50 N -0.88 1.57 0.23 4.50 1.47 -1.26 -4.51 116.67 117.79 2a1y s ASP 50 Ca 0.10 -1.72 -0.08 0.00 1.18 0.00 0.00 52.55 52.03 2a1y s ASP 50 Cb -0.09 0.58 0.21 0.00 -0.34 0.00 0.00 42.92 43.28 2a1y s ASP 50 CO 0.00 -1.12 1.90 -0.33 0.68 0.00 0.00 175.17 176.30 2a1y h GLU 51 N 2.12 1.17 -0.26 2.11 3.07 -2.00 0.13 114.58 120.92 2a1y h GLU 51 Ca -0.25 -0.08 0.06 0.00 -0.50 0.00 0.00 59.36 58.58 2a1y h GLU 51 Cb 1.23 -0.26 -0.06 0.00 -0.84 0.00 0.00 28.75 28.83 2a1y h GLU 51 CO 0.36 0.79 -0.13 -0.09 -1.40 0.00 0.00 179.01 178.54 2a1y h ARG 52 N 1.20 -0.10 -0.00 2.33 1.12 -1.98 0.63 114.38 117.58 2a1y h ARG 52 Ca 0.32 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.20 2a1y h ARG 52 Cb -0.11 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 29.87 2a1y h ARG 52 CO -0.07 -0.06 0.00 0.82 -3.11 0.00 0.00 179.97 177.55 2a1y h ILE 53 N -0.10 1.22 -0.91 1.20 2.04 -1.71 -1.98 117.51 117.27 2a1y h ILE 53 Ca 0.14 -0.64 0.20 0.00 1.00 0.00 0.00 64.86 65.55 2a1y h ILE 53 Cb 0.31 1.65 -0.11 0.00 -0.74 0.00 0.00 36.82 37.93 2a1y h ILE 53 CO -0.32 0.17 0.47 0.00 0.00 0.00 0.00 178.15 178.46 2a1y h ALA 54 N 0.73 1.47 -0.27 1.87 0.00 -0.59 0.43 119.26 122.90 2a1y h ALA 54 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2a1y h ALA 54 Cb 0.27 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2a1y h ALA 54 CO 0.00 -0.21 -0.28 1.15 0.00 0.00 0.00 179.25 179.90 2a1y h THR 55 N 0.54 1.31 -0.08 0.00 2.02 -0.77 -1.47 112.91 114.46 2a1y h THR 55 Ca 0.55 -1.46 0.02 0.00 0.77 0.00 0.00 66.41 66.29 2a1y h THR 55 Cb 0.94 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2a1y h THR 55 CO -0.45 0.46 -0.05 0.22 0.37 0.00 0.00 175.52 176.07 2a1y h TYR 56 N 0.41 -0.11 0.91 3.16 3.20 -0.29 -0.17 116.97 124.07 2a1y h TYR 56 Ca 0.04 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2a1y h TYR 56 Cb 0.85 0.06 0.01 0.00 1.54 0.00 0.00 36.73 39.20 2a1y h TYR 56 CO 0.07 -0.08 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.01 2a1y h LEU 57 N -0.05 -1.03 -0.70 2.82 3.38 -0.98 -1.47 115.31 117.28 2a1y h LEU 57 Ca 0.05 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.20 2a1y h LEU 57 Cb 0.12 0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.01 2a1y h LEU 57 CO -0.11 -0.73 -0.08 0.00 0.09 0.00 0.00 178.44 177.61 2a1y h ALA 58 N -1.42 0.59 0.00 1.53 0.00 -1.27 0.21 119.26 118.89 2a1y h ALA 58 Ca -0.12 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2a1y h ALA 58 Cb 0.93 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2a1y h ALA 58 CO 0.20 -0.42 0.00 0.93 0.00 0.00 0.00 179.25 179.96 2a1y h GLU 59 N 0.05 0.00 -0.30 0.00 5.08 -0.80 -2.35 114.58 116.26 2a1y h GLU 59 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2a1y h GLU 59 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2a1y h GLU 59 CO -0.67 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.43 2a1y n ASN 60 N -3.04 3.61 -2.37 1.42 3.02 0.64 -5.01 115.26 113.53 2a1y n ASN 60 Ca -0.02 -2.66 -0.18 0.00 -0.03 0.00 0.00 54.58 51.69 2a1y n ASN 60 Cb 0.14 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 2a1y n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2a1y n ASN 61 N -0.11 -5.33 -4.75 6.41 5.03 -0.71 -4.76 115.26 111.04 2a1y n ASN 61 Ca 0.18 -0.16 -0.36 0.00 0.87 0.00 0.00 54.58 55.11 2a1y n ASN 61 Cb 0.74 -4.26 -0.07 0.00 -1.02 0.00 0.00 39.78 35.17 2a1y n ASN 61 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2a1y s TYR 62 N -3.01 3.46 0.45 3.10 1.51 -0.89 0.10 117.35 122.07 2a1y s TYR 62 Ca 0.16 0.48 -0.23 0.00 -1.01 0.00 0.00 57.07 56.47 2a1y s TYR 62 Cb -0.07 -2.22 -0.08 0.00 -0.11 0.00 0.00 41.96 39.49 2a1y s TYR 62 CO 0.20 0.33 1.17 0.12 -1.11 0.00 0.00 175.55 176.25 2a1y s PHE 63 N 0.22 2.91 0.05 2.71 5.36 -1.26 -3.51 117.98 124.46 2a1y s PHE 63 Ca 0.13 1.54 -0.10 0.00 -0.96 0.00 0.00 56.93 57.54 2a1y s PHE 63 Cb -0.12 -3.38 0.00 0.00 -0.34 0.00 0.00 43.02 39.18 2a1y s PHE 63 CO 0.01 -1.47 0.20 1.52 -1.46 0.00 0.00 175.22 174.03 2a1y s TYR 64 N -1.52 0.06 -0.06 10.12 -0.85 -1.26 -4.59 117.35 119.25 2a1y s TYR 64 Ca 0.62 -0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 2a1y s TYR 64 Cb -0.29 -0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.05 2a1y s TYR 64 CO 0.36 -0.46 -0.06 0.42 -1.52 0.00 0.00 175.55 174.28 2a1y s ILE 65 N -2.86 0.71 0.33 -3.49 1.01 -1.26 -4.78 121.20 110.86 2a1y s ILE 65 Ca -0.03 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 2a1y s ILE 65 Cb 0.00 -0.73 -0.10 0.00 0.01 0.00 0.00 42.46 41.64 2a1y s ILE 65 CO -0.05 0.28 0.87 -0.32 0.00 0.00 0.00 174.94 175.72 2a1y s MET 66 N 1.16 4.34 0.87 2.79 -2.45 -0.61 -4.16 119.30 121.24 2a1y s MET 66 Ca -0.07 1.09 -0.13 0.00 -1.25 0.00 0.00 55.69 55.33 2a1y s MET 66 Cb -0.14 -2.61 0.12 0.00 1.25 0.00 0.00 34.83 33.45 2a1y s MET 66 CO -0.01 0.21 1.21 -3.38 1.05 0.00 0.00 175.02 174.10 2a1y s HIS 67 N -1.79 2.51 -0.78 4.11 -3.43 -1.26 -2.66 115.29 111.98 2a1y s HIS 67 Ca 0.52 0.64 0.15 0.00 -0.80 0.00 0.00 55.06 55.57 2a1y s HIS 67 Cb -0.15 -3.66 0.52 0.00 -1.43 0.00 0.00 32.58 27.87 2a1y s HIS 67 CO 0.20 -2.10 1.44 0.54 -2.00 0.00 0.00 174.74 172.81 2a1y n ARG 68 N -3.50 3.19 0.24 -0.38 1.74 -1.26 -4.48 116.66 112.20 2a1y n ARG 68 Ca 0.10 -2.58 0.14 0.00 -0.77 0.00 0.00 57.85 54.74 2a1y n ARG 68 Cb 0.60 -1.66 0.36 0.00 -1.02 0.00 0.00 32.46 30.75 2a1y n ARG 68 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2a1y h PHE 69 N 2.69 0.00 -2.50 -1.55 3.57 -1.94 -3.25 116.94 113.95 2a1y h PHE 69 Ca 0.00 0.00 -0.60 0.00 3.53 0.00 0.00 57.97 60.90 2a1y h PHE 69 Cb 1.19 0.00 -0.41 0.00 2.79 0.00 0.00 35.95 39.52 2a1y h PHE 69 CO 0.50 0.00 -0.68 0.00 -2.23 0.00 0.00 178.31 175.90 2a1y n GLN 70 N -3.07 1.84 0.20 1.11 10.64 -1.26 -4.96 117.38 121.88 2a1y n GLN 70 Ca 0.03 -4.29 0.11 0.00 -1.83 0.00 0.00 57.00 51.02 2a1y n GLN 70 Cb 0.45 -2.09 0.60 0.00 -0.86 0.00 0.00 30.24 28.34 2a1y n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 2a1y h PRO 71 N 4.73 0.00 0.00 2.61 0.13 -1.95 -0.70 132.00 136.82 2a1y h PRO 71 Ca 0.17 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.13 2a1y h PRO 71 Cb 0.74 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 2a1y h PRO 71 CO 0.71 0.00 -0.89 0.93 -0.23 0.00 0.00 178.00 178.51 2a1y h GLU 72 N 0.00 0.00 -0.00 0.86 3.07 -1.92 -3.20 114.58 113.38 2a1y h GLU 72 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2a1y h GLU 72 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2a1y h GLU 72 CO 0.00 0.77 -0.02 1.63 -1.40 0.00 0.00 179.01 180.00 2a1y n LYS 73 N -3.27 0.65 -0.01 2.33 5.02 -0.27 -4.24 118.16 118.37 2a1y n LYS 73 Ca -0.01 -0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 2a1y n LYS 73 Cb 0.87 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 2a1y n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a1y h ARG 74 N 0.13 -0.01 -0.54 1.97 3.08 -1.68 -1.51 114.38 115.82 2a1y h ARG 74 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 2a1y h ARG 74 Cb 0.22 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.16 2a1y h ARG 74 CO 0.00 0.45 -0.29 0.82 -1.07 0.00 0.00 179.97 179.88 2a1y h ILE 75 N -0.47 0.24 0.00 2.04 5.03 -1.82 0.48 117.51 123.01 2a1y h ILE 75 Ca -0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.65 2a1y h ILE 75 Cb 0.46 0.24 -0.01 0.00 -3.03 0.00 0.00 36.82 34.48 2a1y h ILE 75 CO 0.00 0.00 -0.40 0.77 -0.68 0.00 0.00 178.15 177.84 2a1y h SER 76 N -0.15 0.00 0.26 1.72 4.64 -1.81 -2.57 113.55 115.64 2a1y h SER 76 Ca 0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2a1y h SER 76 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2a1y h SER 76 CO -0.63 0.40 -0.14 0.15 -0.87 0.00 0.00 176.83 175.74 2a1y h PHE 77 N 0.00 -0.37 -0.09 4.77 3.57 0.05 0.17 116.94 125.04 2a1y h PHE 77 Ca -0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2a1y h PHE 77 Cb 1.16 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.96 2a1y h PHE 77 CO 0.00 -0.23 -0.34 0.82 -2.23 0.00 0.00 178.31 176.33 2a1y h ILE 78 N -0.38 0.26 -0.49 1.41 2.04 0.10 0.14 117.51 120.59 2a1y h ILE 78 Ca -0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.91 2a1y h ILE 78 Cb 0.30 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 2a1y h ILE 78 CO 0.05 0.00 0.09 0.03 0.00 0.00 0.00 178.15 178.31 2a1y h ARG 79 N -0.44 0.21 0.14 2.37 3.08 -1.38 0.37 114.38 118.73 2a1y h ARG 79 Ca 0.08 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2a1y h ARG 79 Cb 0.57 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2a1y h ARG 79 CO -0.33 0.14 -0.26 -0.44 -1.07 0.00 0.00 179.97 178.00 2a1y h ASP 80 N 0.22 -0.75 -0.81 7.04 3.32 -0.42 0.93 116.42 125.96 2a1y h ASP 80 Ca 0.25 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 2a1y h ASP 80 Cb 0.33 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 2a1y h ASP 80 CO -0.33 -0.36 0.43 0.24 -1.72 0.00 0.00 179.24 177.50 2a1y h MET 81 N -0.49 1.14 0.00 3.56 2.86 0.08 -2.78 114.93 119.31 2a1y h MET 81 Ca 0.03 -0.14 -0.19 0.00 -2.06 0.00 0.00 59.70 57.34 2a1y h MET 81 Cb 0.50 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2a1y h MET 81 CO -0.14 0.85 -0.88 1.96 1.06 0.00 0.00 176.91 179.76 2a1y h GLN 82 N 1.15 0.03 0.00 1.72 4.20 -0.16 -0.93 115.11 121.11 2a1y h GLN 82 Ca 0.29 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2a1y h GLN 82 Cb 0.05 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2a1y h GLN 82 CO -0.04 0.89 0.00 -1.13 -0.67 0.00 0.00 178.83 177.87 2a1y n SER 83 N -3.52 0.40 -0.76 1.46 3.41 0.31 -2.89 113.62 112.04 2a1y n SER 83 Ca -0.01 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 2a1y n SER 83 Cb 0.83 -0.69 0.21 0.00 -0.26 0.00 0.00 64.21 64.30 2a1y n SER 83 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2a1y n ARG 84 N -1.95 1.97 -1.09 4.33 5.12 -0.90 -4.90 116.66 119.24 2a1y n ARG 84 Ca 0.02 -1.52 -0.03 0.00 -1.93 0.00 0.00 57.85 54.39 2a1y n ARG 84 Cb 0.18 -1.47 -0.01 0.00 -1.16 0.00 0.00 32.46 30.00 2a1y n ARG 84 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a1y n GLY 85 N 1.31 0.61 3.66 -0.13 0.00 -1.14 -5.04 105.19 104.46 2a1y n GLY 85 Ca 0.15 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2a1y n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a1y s LEU 86 N -0.67 3.28 0.29 0.99 1.43 -0.40 -5.04 118.68 118.56 2a1y s LEU 86 Ca 0.00 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 2a1y s LEU 86 Cb 0.00 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 2a1y s LEU 86 CO 0.00 0.04 1.03 -0.63 0.23 0.00 0.00 176.35 177.02 2a1y s ILE 87 N -1.99 3.76 -0.25 -0.59 1.01 -1.26 -3.67 121.20 118.21 2a1y s ILE 87 Ca 0.29 1.68 -0.04 0.00 0.00 0.00 0.00 60.65 62.59 2a1y s ILE 87 Cb -0.08 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.36 2a1y s ILE 87 CO 0.19 0.33 -0.02 0.00 0.00 0.00 0.00 174.94 175.45 2a1y s ALA 88 N -1.28 2.85 -0.17 9.38 0.00 -1.26 -4.86 121.76 126.42 2a1y s ALA 88 Ca 0.46 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2a1y s ALA 88 Cb -0.28 -1.81 0.05 0.00 0.00 0.00 0.00 23.12 21.08 2a1y s ALA 88 CO 0.35 -0.66 0.00 0.45 0.00 0.00 0.00 175.76 175.90 2a1y s SER 89 N 1.44 2.77 0.30 0.00 0.15 -1.26 -2.05 113.70 115.05 2a1y s SER 89 Ca 0.03 -0.70 0.04 0.00 0.70 0.00 0.00 55.95 56.02 2a1y s SER 89 Cb -0.16 -0.69 -0.06 0.00 -1.71 0.00 0.00 66.02 63.40 2a1y s SER 89 CO -0.02 -0.26 0.04 0.27 1.20 0.00 0.00 173.24 174.47 2a1y s ILE 90 N 1.78 1.17 0.03 6.45 -4.36 -0.59 -1.57 121.20 124.10 2a1y s ILE 90 Ca -0.00 -2.02 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 2a1y s ILE 90 Cb -0.16 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 2a1y s ILE 90 CO -0.07 -0.08 -0.23 -0.44 0.24 0.00 0.00 174.94 174.35 2a1y s SER 91 N -3.44 3.37 0.27 4.36 0.01 -1.09 -0.59 113.70 116.60 2a1y s SER 91 Ca 0.35 -0.51 0.06 0.00 1.31 0.00 0.00 55.95 57.16 2a1y s SER 91 Cb 0.08 -0.42 -0.06 0.00 0.21 0.00 0.00 66.02 65.83 2a1y s SER 91 CO 0.14 0.27 -0.05 0.68 0.41 0.00 0.00 173.24 174.69 2a1y s VAL 92 N -0.81 1.58 0.00 3.43 -7.23 0.50 -4.60 120.40 113.27 2a1y s VAL 92 Ca 0.12 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2a1y s VAL 92 Cb -0.10 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2a1y s VAL 92 CO 0.02 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2a1y n GLY 93 N -0.56 2.31 0.77 2.32 0.00 -1.26 -2.13 105.19 106.64 2a1y n GLY 93 Ca -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 2a1y n GLY 93 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a1y n VAL 94 N 0.00 0.00 -3.34 1.61 3.14 -1.26 -4.89 118.33 113.59 2a1y n VAL 94 Ca 0.00 -0.02 -0.12 0.00 -2.96 0.00 0.00 64.34 61.25 2a1y n VAL 94 Cb 0.00 0.28 -0.07 0.00 -1.06 0.00 0.00 33.84 32.99 2a1y n VAL 94 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2a1y s LYS 95 N 0.00 0.38 0.00 1.45 2.20 -1.26 -4.95 119.74 117.56 2a1y s LYS 95 Ca 0.01 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 2a1y s LYS 95 Cb 0.01 -0.42 0.00 0.00 -1.51 0.00 0.00 37.83 35.90 2a1y s LYS 95 CO -0.00 -1.02 0.00 0.39 -0.36 0.00 0.00 175.35 174.35 2a1y n GLU 96 N 5.34 3.62 0.00 4.03 4.71 -1.26 -4.58 120.64 132.51 2a1y n GLU 96 Ca -0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.25 2a1y n GLU 96 Cb 0.48 -0.59 0.59 0.00 -1.01 0.00 0.00 31.44 30.92 2a1y n GLU 96 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2a1y n ASP 97 N -0.50 0.00 -0.35 1.62 10.43 -1.26 -2.39 116.55 124.10 2a1y n ASP 97 Ca 0.00 -0.59 0.13 0.00 2.57 0.00 0.00 54.79 56.90 2a1y n ASP 97 Cb 0.00 -0.02 0.43 0.00 1.84 0.00 0.00 41.12 43.37 2a1y n ASP 97 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 2a1y n GLU 98 N -1.02 1.18 0.06 -1.24 0.28 -1.26 -2.12 120.64 116.52 2a1y n GLU 98 Ca 0.15 -0.70 -0.09 0.00 -0.16 0.00 0.00 57.16 56.36 2a1y n GLU 98 Cb 0.07 -1.49 0.03 0.00 1.43 0.00 0.00 31.44 31.49 2a1y n GLU 98 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2a1y h TYR 99 N 1.70 0.51 0.00 -1.84 -1.99 -1.85 -3.06 116.97 110.44 2a1y h TYR 99 Ca 0.00 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.50 2a1y h TYR 99 Cb 0.51 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.17 2a1y h TYR 99 CO 0.00 0.98 -0.74 1.05 -0.00 0.00 0.00 178.16 179.45 2a1y h GLU 100 N 0.25 0.00 0.38 4.88 4.11 -1.75 -3.16 114.58 119.30 2a1y h GLU 100 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2a1y h GLU 100 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2a1y h GLU 100 CO 0.12 0.00 -0.18 0.35 0.07 0.00 0.00 179.01 179.37 2a1y h PHE 101 N 0.00 -0.48 0.00 2.06 3.04 -1.43 0.41 116.94 120.54 2a1y h PHE 101 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2a1y h PHE 101 Cb 0.83 0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.50 2a1y h PHE 101 CO 0.00 -0.23 0.00 -0.39 -2.02 0.00 0.00 178.31 175.67 2a1y h VAL 102 N -0.63 0.00 0.00 1.41 -1.51 -1.67 -0.13 116.25 113.73 2a1y h VAL 102 Ca -0.05 -0.40 -0.22 0.00 -1.23 0.00 0.00 66.70 64.80 2a1y h VAL 102 Cb 0.46 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 30.93 2a1y h VAL 102 CO 0.09 0.00 -1.04 1.56 -1.23 0.00 0.00 177.57 176.95 2a1y h GLN 103 N 0.00 0.00 -0.20 5.19 4.20 -1.46 -2.87 115.11 119.98 2a1y h GLN 103 Ca 0.00 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 2a1y h GLN 103 Cb 0.43 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.22 2a1y h GLN 103 CO 0.00 0.98 -0.66 0.37 -0.67 0.00 0.00 178.83 178.84 2a1y h GLN 104 N 0.00 0.80 -0.79 1.46 4.15 0.67 -2.39 115.11 119.02 2a1y h GLN 104 Ca -0.03 -0.59 0.08 0.00 0.77 0.00 0.00 58.65 58.88 2a1y h GLN 104 Cb 1.79 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 29.51 2a1y h GLN 104 CO 0.13 1.21 0.45 -0.07 -1.93 0.00 0.00 178.83 178.62 2a1y h LEU 105 N 0.54 0.65 0.56 -2.39 3.38 -1.14 0.40 115.31 117.32 2a1y h LEU 105 Ca -0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2a1y h LEU 105 Cb 1.29 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.96 2a1y h LEU 105 CO 0.14 0.39 -0.27 0.00 0.09 0.00 0.00 178.44 178.79 2a1y h ALA 106 N 1.43 -0.75 -0.71 1.53 0.00 -1.37 -0.32 119.26 119.06 2a1y h ALA 106 Ca 0.37 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.25 2a1y h ALA 106 Cb 0.31 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 2a1y h ALA 106 CO -0.23 -0.86 0.11 0.00 0.00 0.00 0.00 179.25 178.27 2a1y h ALA 107 N -0.52 0.84 0.00 0.00 0.00 -1.37 -0.05 119.26 118.16 2a1y h ALA 107 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2a1y h ALA 107 Cb 0.63 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2a1y h ALA 107 CO 0.13 -0.37 0.00 -1.91 0.00 0.00 0.00 179.25 177.10 2a1y n GLU 108 N -5.22 0.45 -3.24 0.00 4.07 0.14 -4.83 120.64 112.02 2a1y n GLU 108 Ca 0.13 0.03 -0.23 0.00 -0.06 0.00 0.00 57.16 57.02 2a1y n GLU 108 Cb 0.44 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.34 2a1y n GLU 108 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2a1y n HIS 109 N -1.05 -1.96 -3.57 4.31 8.25 -0.03 -4.96 115.22 116.20 2a1y n HIS 109 Ca 0.11 0.55 -0.41 0.00 -0.26 0.00 0.00 57.72 57.71 2a1y n HIS 109 Cb 0.07 -3.87 -0.08 0.00 1.12 0.00 0.00 29.99 27.23 2a1y n HIS 109 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a1y s LEU 110 N -6.67 5.72 -0.44 2.41 1.43 -0.17 -5.05 118.68 115.92 2a1y s LEU 110 Ca 0.38 -2.16 -0.16 0.00 -1.03 0.00 0.00 54.13 51.16 2a1y s LEU 110 Cb -0.18 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.08 2a1y s LEU 110 CO 0.46 -0.62 0.37 -0.89 0.23 0.00 0.00 176.35 175.90 2a1y s THR 111 N 0.99 5.22 0.26 5.49 2.01 -1.26 -4.54 115.64 123.80 2a1y s THR 111 Ca 0.09 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 2a1y s THR 111 Cb -0.23 -4.04 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 2a1y s THR 111 CO -0.02 -0.46 1.35 -2.84 -0.69 0.00 0.00 174.62 171.96 2a1y s PRO 112 N 1.75 4.34 0.39 4.92 0.02 -1.26 -4.93 135.00 140.22 2a1y s PRO 112 Ca 0.06 2.19 0.06 0.00 0.02 0.00 0.00 61.00 63.33 2a1y s PRO 112 Cb -0.21 -3.13 0.79 0.00 0.02 0.00 0.00 34.50 31.97 2a1y s PRO 112 CO 0.09 -0.29 2.03 0.93 -0.33 0.00 0.00 177.00 179.43 2a1y h GLU 113 N 4.62 0.58 -3.98 5.54 3.07 -1.74 -3.38 114.58 119.30 2a1y h GLU 113 Ca -0.46 -0.05 -0.34 0.00 -0.50 0.00 0.00 59.36 58.01 2a1y h GLU 113 Cb 1.22 -0.13 -0.32 0.00 -0.84 0.00 0.00 28.75 28.69 2a1y h GLU 113 CO 0.74 0.41 -0.75 0.71 -1.40 0.00 0.00 179.01 178.72 2a1y s TYR 114 N -5.46 0.42 -0.04 4.33 1.51 -1.09 -0.65 117.35 116.36 2a1y s TYR 114 Ca -0.08 -0.07 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 2a1y s TYR 114 Cb 0.17 -0.38 0.01 0.00 -0.11 0.00 0.00 41.96 41.65 2a1y s TYR 114 CO 0.74 -0.09 -0.08 0.42 -1.11 0.00 0.00 175.55 175.43 2a1y s ILE 115 N 0.51 0.76 -0.16 2.71 1.01 0.44 -1.55 121.20 124.92 2a1y s ILE 115 Ca -0.05 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2a1y s ILE 115 Cb -0.09 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.69 2a1y s ILE 115 CO -0.01 0.25 -0.18 -0.89 0.00 0.00 0.00 174.94 174.12 2a1y s THR 116 N 0.45 2.36 -0.58 2.92 2.01 0.25 -0.40 115.64 122.65 2a1y s THR 116 Ca -0.07 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 60.86 2a1y s THR 116 Cb -0.11 -1.99 0.07 0.00 0.01 0.00 0.00 72.50 70.48 2a1y s THR 116 CO 0.01 0.52 0.78 -0.63 -0.69 0.00 0.00 174.62 174.62 2a1y s ILE 117 N 1.01 4.65 -0.49 1.82 1.01 0.31 -0.37 121.20 129.13 2a1y s ILE 117 Ca -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 2a1y s ILE 117 Cb -0.15 -4.49 0.13 0.00 0.01 0.00 0.00 42.46 37.96 2a1y s ILE 117 CO -0.05 -1.12 0.27 -0.62 0.00 0.00 0.00 174.94 173.42 2a1y s ASP 118 N 3.27 5.05 -0.08 3.58 2.15 -0.90 -1.62 116.67 128.12 2a1y s ASP 118 Ca 0.18 -2.46 0.05 0.00 0.43 0.00 0.00 52.55 50.75 2a1y s ASP 118 Cb -0.19 -1.78 -0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2a1y s ASP 118 CO 0.11 -0.42 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.81 2a1y s ILE 119 N 0.51 2.09 0.17 4.11 -1.09 0.10 -4.89 121.20 122.20 2a1y s ILE 119 Ca 0.13 -1.03 -0.21 0.00 -2.23 0.00 0.00 60.65 57.31 2a1y s ILE 119 Cb -0.22 -1.78 0.07 0.00 -1.58 0.00 0.00 42.46 38.95 2a1y s ILE 119 CO -0.04 0.56 1.34 0.00 -1.23 0.00 0.00 174.94 175.58 2a1y n ALA 120 N 3.28 -0.35 -3.74 9.38 0.00 -1.26 -0.27 120.51 127.55 2a1y n ALA 120 Ca -0.18 0.80 -0.33 0.00 0.00 0.00 0.00 53.44 53.72 2a1y n ALA 120 Cb 0.53 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 2a1y n ALA 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2a1y s HIS 121 N -5.62 3.71 -1.60 0.00 5.65 -1.26 -4.32 115.29 111.86 2a1y s HIS 121 Ca -0.11 -3.09 0.29 0.00 0.25 0.00 0.00 55.06 52.40 2a1y s HIS 121 Cb 0.13 -3.06 1.30 0.00 -1.18 0.00 0.00 32.58 29.77 2a1y s HIS 121 CO 0.58 -0.69 1.91 0.41 -0.65 0.00 0.00 174.74 176.29 2a1y n GLY 122 N 2.40 -1.02 3.57 1.59 0.00 -0.12 -4.35 105.19 107.26 2a1y n GLY 122 Ca 0.18 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2a1y n GLY 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a1y s HIS 123 N -2.49 2.41 0.05 1.61 5.65 -1.25 -4.58 115.29 116.69 2a1y s HIS 123 Ca 0.29 -0.66 -0.25 0.00 0.25 0.00 0.00 55.06 54.69 2a1y s HIS 123 Cb 0.20 -4.51 0.06 0.00 -1.18 0.00 0.00 32.58 27.15 2a1y s HIS 123 CO 0.47 -1.77 0.60 -1.54 -0.65 0.00 0.00 174.74 171.85 2a1y s SER 124 N 5.46 -0.55 0.33 9.88 1.04 -1.26 -5.01 113.70 123.59 2a1y s SER 124 Ca 0.56 0.28 0.07 0.00 0.48 0.00 0.00 55.95 57.34 2a1y s SER 124 Cb 0.00 0.54 0.75 0.00 0.10 0.00 0.00 66.02 67.41 2a1y s SER 124 CO 0.00 -0.77 1.84 0.78 0.98 0.00 0.00 173.24 176.08 2a1y h ASN 125 N 2.59 0.73 -0.98 7.02 2.35 -1.98 0.23 115.58 125.55 2a1y h ASN 125 Ca -0.31 0.05 0.23 0.00 -0.55 0.00 0.00 56.30 55.73 2a1y h ASN 125 Cb 1.22 -0.09 -0.12 0.00 0.05 0.00 0.00 38.32 39.38 2a1y h ASN 125 CO 0.40 0.35 0.56 0.00 -1.65 0.00 0.00 177.43 177.09 2a1y h ALA 126 N 1.59 1.70 0.20 -0.83 0.00 -1.95 0.25 119.26 120.23 2a1y h ALA 126 Ca 0.49 0.13 -0.27 0.00 0.00 0.00 0.00 54.91 55.25 2a1y h ALA 126 Cb 0.72 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.57 2a1y h ALA 126 CO -0.25 -0.26 -1.17 0.28 0.00 0.00 0.00 179.25 177.85 2a1y h VAL 127 N 0.57 1.39 -0.77 0.00 2.07 -0.84 -2.76 116.25 115.90 2a1y h VAL 127 Ca 0.62 -2.62 0.14 0.00 0.82 0.00 0.00 66.70 65.66 2a1y h VAL 127 Cb 1.15 3.11 -0.09 0.00 -1.52 0.00 0.00 31.29 33.94 2a1y h VAL 127 CO -0.47 0.77 0.33 0.40 0.02 0.00 0.00 177.57 178.62 2a1y h ILE 128 N -0.09 0.68 -0.48 4.57 2.04 -0.22 -0.84 117.51 123.17 2a1y h ILE 128 Ca -0.20 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 2a1y h ILE 128 Cb 1.93 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2a1y h ILE 128 CO 0.22 0.09 -0.12 0.78 0.00 0.00 0.00 178.15 179.12 2a1y h ASN 129 N 0.49 0.90 0.51 1.72 2.35 -0.51 -0.31 115.58 120.73 2a1y h ASN 129 Ca 0.42 -0.29 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 2a1y h ASN 129 Cb 0.63 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2a1y h ASN 129 CO -0.39 1.03 -0.70 -0.03 -1.65 0.00 0.00 177.43 175.68 2a1y h MET 130 N 0.81 0.16 0.53 0.81 4.05 -1.15 0.73 114.93 120.87 2a1y h MET 130 Ca 0.13 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2a1y h MET 130 Cb 0.65 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2a1y h MET 130 CO 0.04 0.80 -0.26 0.82 0.23 0.00 0.00 176.91 178.55 2a1y h ILE 131 N 0.11 0.45 -0.09 1.77 2.04 -0.49 -2.02 117.51 119.29 2a1y h ILE 131 Ca -0.02 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.72 2a1y h ILE 131 Cb 1.25 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 2a1y h ILE 131 CO 0.10 0.03 -0.20 1.56 0.00 0.00 0.00 178.15 179.64 2a1y h GLN 132 N -0.82 -0.27 -0.99 2.37 4.20 -1.01 0.26 115.11 118.86 2a1y h GLN 132 Ca -0.07 0.02 0.29 0.00 0.06 0.00 0.00 58.65 58.94 2a1y h GLN 132 Cb 0.59 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 28.29 2a1y h GLN 132 CO 0.12 -0.18 0.55 1.25 -0.67 0.00 0.00 178.83 179.90 2a1y h HIS 133 N -0.28 0.91 0.18 2.96 2.76 -0.86 0.85 115.15 121.67 2a1y h HIS 133 Ca 0.09 0.04 -0.25 0.00 -2.20 0.00 0.00 60.37 58.04 2a1y h HIS 133 Cb 0.40 -0.24 0.03 0.00 1.55 0.00 0.00 27.41 29.15 2a1y h HIS 133 CO -0.29 -0.10 -1.12 0.82 -1.30 0.00 0.00 177.93 175.94 2a1y h ILE 134 N 0.40 1.37 -0.79 6.26 2.04 -0.45 -0.58 117.51 125.77 2a1y h ILE 134 Ca 0.69 -2.58 0.10 0.00 1.00 0.00 0.00 64.86 64.06 2a1y h ILE 134 Cb 1.47 3.10 -0.05 0.00 -0.74 0.00 0.00 36.82 40.59 2a1y h ILE 134 CO -0.57 0.75 0.52 0.11 0.00 0.00 0.00 178.15 178.96 2a1y h LYS 135 N -0.18 0.70 0.19 2.37 1.79 0.32 0.37 116.57 122.13 2a1y h LYS 135 Ca -0.20 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 2a1y h LYS 135 Cb 1.85 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.34 2a1y h LYS 135 CO 0.19 0.46 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.71 2a1y h LYS 136 N 0.72 -0.24 0.07 3.15 1.63 -0.82 -3.06 116.57 118.02 2a1y h LYS 136 Ca 0.37 0.02 -0.28 0.00 -0.85 0.00 0.00 60.65 59.91 2a1y h LYS 136 Cb 0.46 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 2a1y h LYS 136 CO -0.14 0.09 -1.40 0.45 -3.45 0.00 0.00 179.45 175.00 2a1y h HIS 137 N -0.60 0.27 -2.09 1.91 3.86 -0.75 -3.40 115.15 114.35 2a1y h HIS 137 Ca -0.03 -0.20 -0.57 0.00 -1.16 0.00 0.00 60.37 58.41 2a1y h HIS 137 Cb 0.44 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.50 2a1y h HIS 137 CO 0.03 1.22 -0.88 1.28 0.86 0.00 0.00 177.93 180.44 2a1y n LEU 138 N -3.37 1.93 0.00 2.43 4.77 0.13 -4.72 117.00 118.17 2a1y n LEU 138 Ca -0.12 -5.08 0.03 0.00 -0.03 0.00 0.00 56.01 50.82 2a1y n LEU 138 Cb 1.02 0.04 0.13 0.00 -2.33 0.00 0.00 43.42 42.29 2a1y n LEU 138 CO 0.49 2.10 0.54 -0.81 -1.33 0.00 0.00 177.39 178.38 2a1y n PRO 139 N 1.01 0.05 -0.04 3.23 -0.04 -1.15 -1.48 135.00 136.57 2a1y n PRO 139 Ca 0.25 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 64.10 2a1y n PRO 139 Cb 0.48 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.54 2a1y n PRO 139 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2a1y n GLU 140 N -1.37 1.62 -2.88 0.54 4.71 -1.26 -4.89 120.64 117.11 2a1y n GLU 140 Ca 0.02 -1.66 -0.41 0.00 -0.01 0.00 0.00 57.16 55.09 2a1y n GLU 140 Cb 0.05 -1.35 -0.04 0.00 -1.01 0.00 0.00 31.44 29.10 2a1y n GLU 140 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2a1y s SER 141 N -1.37 6.96 -0.07 1.62 0.01 -0.55 -4.84 113.70 115.45 2a1y s SER 141 Ca 0.23 1.18 -0.30 0.00 1.31 0.00 0.00 55.95 58.37 2a1y s SER 141 Cb 0.15 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2a1y s SER 141 CO 0.22 -0.41 1.50 0.12 0.41 0.00 0.00 173.24 175.08 2a1y s PHE 142 N 2.20 2.37 -0.21 2.43 5.36 0.17 -4.87 117.98 125.43 2a1y s PHE 142 Ca 0.39 0.52 -0.07 0.00 -0.96 0.00 0.00 56.93 56.81 2a1y s PHE 142 Cb -0.16 -3.76 -0.03 0.00 -0.34 0.00 0.00 43.02 38.72 2a1y s PHE 142 CO 0.12 -3.02 0.05 0.08 -1.46 0.00 0.00 175.22 170.99 2a1y s VAL 143 N 3.59 4.34 -0.17 3.12 1.01 -1.26 -0.42 120.40 130.61 2a1y s VAL 143 Ca 0.67 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 2a1y s VAL 143 Cb -0.30 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2a1y s VAL 143 CO 0.25 0.40 0.00 -0.63 0.00 0.00 0.00 175.10 175.12 2a1y s ILE 144 N 1.05 4.23 0.05 2.22 1.01 0.46 -0.27 121.20 129.94 2a1y s ILE 144 Ca 0.03 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.52 2a1y s ILE 144 Cb -0.14 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2a1y s ILE 144 CO 0.03 0.47 -0.19 0.00 0.00 0.00 0.00 174.94 175.24 2a1y s ALA 145 N 0.45 1.65 0.00 9.38 0.00 0.12 -0.53 121.76 132.84 2a1y s ALA 145 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2a1y s ALA 145 Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2a1y s ALA 145 CO 0.02 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2a1y n GLY 146 N 1.76 -0.74 3.86 0.00 0.00 -0.64 -0.54 105.19 108.89 2a1y n GLY 146 Ca -0.18 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 2a1y n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a1y s ASN 147 N -4.00 6.69 0.24 1.61 -0.87 0.63 -0.72 114.94 118.52 2a1y s ASN 147 Ca 0.00 0.99 0.04 0.00 -1.57 0.00 0.00 52.86 52.31 2a1y s ASN 147 Cb 0.00 -2.25 -0.05 0.00 -0.02 0.00 0.00 41.25 38.93 2a1y s ASN 147 CO 0.00 -0.03 -0.00 0.68 -2.57 0.00 0.00 177.10 175.18 2a1y s VAL 148 N -1.72 1.09 0.00 1.60 -7.23 -0.36 -0.94 120.40 112.84 2a1y s VAL 148 Ca 0.45 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 2a1y s VAL 148 Cb -0.12 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2a1y s VAL 148 CO 0.20 -0.30 0.41 0.61 -0.31 0.00 0.00 175.10 175.72 2a1y n GLY 149 N -0.45 -1.59 3.16 2.32 0.00 -1.26 -1.13 105.19 106.24 2a1y n GLY 149 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2a1y n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a1y s THR 150 N -0.07 0.87 0.35 2.61 -4.23 -1.26 -4.92 115.64 109.00 2a1y s THR 150 Ca 0.00 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2a1y s THR 150 Cb 0.00 -1.26 0.28 0.00 1.34 0.00 0.00 72.50 72.87 2a1y s THR 150 CO 0.00 -0.54 1.97 -0.65 -0.54 0.00 0.00 174.62 174.87 2a1y h PRO 151 N 3.70 0.80 -0.83 3.99 0.11 -1.85 -1.34 132.00 136.58 2a1y h PRO 151 Ca -0.37 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 2a1y h PRO 151 Cb 1.19 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2a1y h PRO 151 CO 0.51 0.53 0.38 1.49 -0.21 0.00 0.00 178.00 180.70 2a1y h GLU 152 N 0.82 1.21 -0.23 1.05 4.81 -1.96 -1.50 114.58 118.78 2a1y h GLU 152 Ca 0.30 -0.19 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 2a1y h GLU 152 Cb 0.13 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2a1y h GLU 152 CO -0.09 0.94 -0.56 0.00 -0.73 0.00 0.00 179.01 178.57 2a1y h ALA 153 N 1.22 0.38 -0.58 2.92 0.00 -1.83 -2.51 119.26 118.87 2a1y h ALA 153 Ca 0.28 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2a1y h ALA 153 Cb 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2a1y h ALA 153 CO -0.03 0.60 0.33 0.28 0.00 0.00 0.00 179.25 180.43 2a1y h VAL 154 N 0.53 1.02 -0.37 0.00 2.07 -1.06 0.32 116.25 118.76 2a1y h VAL 154 Ca -0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2a1y h VAL 154 Cb 1.17 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2a1y h VAL 154 CO 0.12 0.12 0.10 0.03 0.02 0.00 0.00 177.57 177.96 2a1y h ARG 155 N 0.64 0.59 0.02 1.57 3.08 -1.15 -0.26 114.38 118.88 2a1y h ARG 155 Ca 0.24 -0.14 -0.24 0.00 0.07 0.00 0.00 59.98 59.92 2a1y h ARG 155 Cb 0.08 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.06 2a1y h ARG 155 CO -0.13 0.62 -1.01 1.49 -1.07 0.00 0.00 179.97 179.87 2a1y h GLU 156 N 0.45 0.44 -0.34 0.04 4.81 -1.15 0.77 114.58 119.59 2a1y h GLU 156 Ca 0.12 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2a1y h GLU 156 Cb 0.28 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2a1y h GLU 156 CO -0.00 1.16 0.17 -0.07 -0.73 0.00 0.00 179.01 179.54 2a1y h LEU 157 N 0.23 0.45 -0.87 1.64 4.07 -0.90 -1.68 115.31 118.25 2a1y h LEU 157 Ca -0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 2a1y h LEU 157 Cb 1.66 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 43.24 2a1y h LEU 157 CO 0.18 0.45 0.43 -0.33 -1.08 0.00 0.00 178.44 178.09 2a1y h GLU 158 N 0.42 1.24 0.00 1.13 5.08 -0.27 -1.20 114.58 120.98 2a1y h GLU 158 Ca 0.12 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2a1y h GLU 158 Cb 0.12 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2a1y h GLU 158 CO -0.02 0.94 -0.14 -0.91 -1.00 0.00 0.00 179.01 177.88 2a1y h ASN 159 N 1.23 0.00 1.04 1.42 2.35 0.57 -1.47 115.58 120.72 2a1y h ASN 159 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2a1y h ASN 159 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2a1y h ASN 159 CO -0.04 0.14 0.00 0.00 -1.65 0.00 0.00 177.43 175.88 2a1y n ALA 160 N -2.30 1.94 0.00 -0.83 0.00 -0.50 -4.87 120.51 113.95 2a1y n ALA 160 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2a1y n ALA 160 Cb 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2a1y n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1y n GLY 161 N 0.60 1.52 3.77 0.00 0.00 -0.55 -4.26 105.19 106.26 2a1y n GLY 161 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2a1y n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1y s ALA 162 N -2.00 3.37 -0.30 4.61 0.00 -0.93 -4.89 121.76 121.62 2a1y s ALA 162 Ca 0.00 1.02 0.21 0.00 0.00 0.00 0.00 51.96 53.20 2a1y s ALA 162 Cb 0.00 -3.39 0.13 0.00 0.00 0.00 0.00 23.12 19.87 2a1y s ALA 162 CO 0.00 -0.40 1.31 -0.44 0.00 0.00 0.00 175.76 176.23 2a1y h ASP 163 N 3.35 0.00 -5.01 0.00 3.32 -1.00 -3.43 116.42 113.66 2a1y h ASP 163 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 2a1y h ASP 163 Cb 1.22 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.61 2a1y h ASP 163 CO 0.65 0.13 0.14 0.00 -1.72 0.00 0.00 179.24 178.44 2a1y s ALA 164 N -3.20 -1.56 0.12 3.45 0.00 -0.89 -3.92 121.76 115.75 2a1y s ALA 164 Ca 0.03 0.82 0.10 0.00 0.00 0.00 0.00 51.96 52.92 2a1y s ALA 164 Cb 0.07 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 2a1y s ALA 164 CO 0.74 -0.53 -0.26 0.95 0.00 0.00 0.00 175.76 176.66 2a1y s THR 165 N -2.35 2.17 -0.28 0.00 -4.23 -0.82 0.16 115.64 110.30 2a1y s THR 165 Ca -0.06 -1.69 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 2a1y s THR 165 Cb -0.01 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 2a1y s THR 165 CO -0.01 0.10 0.13 -0.75 -0.54 0.00 0.00 174.62 173.55 2a1y s LYS 166 N -1.95 3.65 -0.20 3.99 2.20 0.30 0.02 119.74 127.75 2a1y s LYS 166 Ca 0.13 -0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 55.17 2a1y s LYS 166 Cb -0.10 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2a1y s LYS 166 CO 0.05 -0.25 0.04 0.08 -0.36 0.00 0.00 175.35 174.91 2a1y s VAL 167 N 1.66 4.38 0.00 4.02 1.01 0.19 -1.22 120.40 130.44 2a1y s VAL 167 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2a1y s VAL 167 Cb -0.16 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2a1y s VAL 167 CO 0.06 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2a1y n GLY 168 N 4.07 3.19 2.87 4.51 0.00 -0.28 -0.04 105.19 119.51 2a1y n GLY 168 Ca -0.17 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2a1y n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a1y s ILE 169 N 0.00 1.56 -0.33 -0.61 -1.09 -1.26 -4.44 121.20 115.03 2a1y s ILE 169 Ca 0.00 -1.89 0.00 0.00 -2.23 0.00 0.00 60.65 56.53 2a1y s ILE 169 Cb 0.00 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 2a1y s ILE 169 CO 0.00 -0.65 0.00 0.61 -1.23 0.00 0.00 174.94 173.67 2a1y n GLY 170 N 4.52 0.60 0.17 6.18 0.00 -1.26 -0.46 105.19 114.94 2a1y n GLY 170 Ca 0.01 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.83 2a1y n GLY 170 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a1y n PRO 171 N -2.25 1.20 -1.66 1.61 -0.04 -1.26 -4.25 135.00 128.34 2a1y n PRO 171 Ca -0.03 -0.33 -0.39 0.00 -0.04 0.00 0.00 63.50 62.70 2a1y n PRO 171 Cb 0.18 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.19 2a1y n PRO 171 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a1y n GLY 172 N 1.08 0.13 0.26 0.55 0.00 -1.26 -3.00 105.19 102.95 2a1y n GLY 172 Ca 0.22 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.26 2a1y n GLY 172 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2a1y h LYS 173 N 1.23 0.54 -0.56 1.61 3.64 -1.95 -2.04 116.57 119.04 2a1y h LYS 173 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2a1y h LYS 173 Cb 1.33 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2a1y h LYS 173 CO 0.55 0.36 0.00 1.33 -2.27 0.00 0.00 179.45 179.42 2a1y n VAL 174 N -4.89 0.96 -3.61 2.00 0.24 -1.26 -4.91 118.33 106.87 2a1y n VAL 174 Ca 0.10 -0.75 -0.36 0.00 -2.04 0.00 0.00 64.34 61.29 2a1y n VAL 174 Cb 0.26 0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.76 2a1y n VAL 174 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a1y n ILE 176 N 1.47 0.52 -0.25 0.00 3.06 -1.26 -4.73 119.36 118.17 2a1y n ILE 176 Ca -0.13 -0.56 0.02 0.00 -2.50 0.00 0.00 62.75 59.57 2a1y n ILE 176 Cb 0.53 0.80 0.14 0.00 0.54 0.00 0.00 39.64 41.65 2a1y n ILE 176 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 2a1y h THR 177 N 1.04 0.85 -0.68 9.51 2.02 -1.92 -1.65 112.91 122.08 2a1y h THR 177 Ca 0.00 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.02 2a1y h THR 177 Cb 0.62 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2a1y h THR 177 CO 0.00 0.11 0.45 0.07 0.37 0.00 0.00 175.52 176.52 2a1y h LYS 178 N 0.62 0.72 0.25 6.66 2.10 -1.81 -2.10 116.57 123.01 2a1y h LYS 178 Ca 0.35 -0.04 -0.33 0.00 -2.00 0.00 0.00 60.65 58.63 2a1y h LYS 178 Cb 0.37 -0.16 0.04 0.00 -0.90 0.00 0.00 32.23 31.57 2a1y h LYS 178 CO -0.27 0.47 -1.47 0.82 -2.00 0.00 0.00 179.45 177.01 2a1y h ILE 179 N 0.74 1.28 0.00 0.07 2.04 -1.70 -2.72 117.51 117.22 2a1y h ILE 179 Ca 0.28 -2.69 -0.20 0.00 1.00 0.00 0.00 64.86 63.25 2a1y h ILE 179 Cb 0.18 3.05 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 2a1y h ILE 179 CO -0.09 0.81 -0.97 0.11 0.00 0.00 0.00 178.15 178.01 2a1y h LYS 180 N 0.13 0.00 0.00 2.37 1.79 -1.27 -3.40 116.57 116.19 2a1y h LYS 180 Ca -0.26 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2a1y h LYS 180 Cb 2.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.81 2a1y h LYS 180 CO 0.27 0.97 -0.80 0.25 -1.08 0.00 0.00 179.45 179.06 2a1y n THR 181 N -3.39 0.00 -1.00 -0.16 -2.24 -0.80 -5.03 114.28 101.67 2a1y n THR 181 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a1y n THR 181 Cb 0.92 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2a1y n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a1y n GLY 182 N 2.25 0.43 3.45 3.38 0.00 -1.02 -5.03 105.19 108.66 2a1y n GLY 182 Ca 0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 2a1y n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a1y s PHE 183 N -2.00 2.55 -2.76 1.61 0.08 -1.26 -5.03 117.98 111.17 2a1y s PHE 183 Ca 0.00 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2a1y s PHE 183 Cb 0.00 -1.46 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 2a1y s PHE 183 CO 0.00 0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.78 2a1y n GLY 184 N 1.55 0.72 0.89 4.36 0.00 -1.26 -4.04 105.19 107.40 2a1y n GLY 184 Ca -0.16 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 43.89 2a1y n GLY 184 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a1y n THR 185 N 4.96 0.46 -1.83 2.61 -2.24 0.39 -4.94 114.28 113.70 2a1y n THR 185 Ca 0.00 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 2a1y n THR 185 Cb 0.00 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 2a1y n THR 185 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2a1y s GLY 186 N -1.36 1.39 0.00 3.38 0.00 -1.22 -0.18 107.32 109.32 2a1y s GLY 186 Ca 0.35 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.56 2a1y s GLY 186 CO 0.27 2.76 0.00 0.61 0.00 0.00 0.00 173.10 176.74 2a1y n GLY 187 N 3.85 0.87 0.90 0.20 0.00 -1.26 -4.77 105.19 104.98 2a1y n GLY 187 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 2a1y n GLY 187 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2a1y n TRP 188 N -2.00 0.00 -0.26 1.61 4.27 -0.52 -4.48 117.44 116.06 2a1y n TRP 188 Ca 0.00 -0.30 0.07 0.00 -3.89 0.00 0.00 57.50 53.38 2a1y n TRP 188 Cb 0.00 0.22 0.21 0.00 -1.36 0.00 0.00 31.31 30.37 2a1y n TRP 188 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2a1y h GLN 189 N 0.21 0.27 -0.14 -2.67 5.75 -0.77 0.97 115.11 118.74 2a1y h GLN 189 Ca -0.27 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.08 2a1y h GLN 189 Cb 1.41 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.89 2a1y h GLN 189 CO -0.09 0.18 -0.50 1.25 -2.65 0.00 0.00 178.83 177.02 2a1y h LEU 190 N 0.28 0.41 -0.24 -2.39 5.85 -1.87 -0.81 115.31 116.53 2a1y h LEU 190 Ca 0.45 -0.20 -0.21 0.00 0.84 0.00 0.00 57.88 58.75 2a1y h LEU 190 Cb 0.79 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2a1y h LEU 190 CO -0.53 0.84 -0.83 0.00 -0.34 0.00 0.00 178.44 177.58 2a1y h ALA 191 N 1.17 0.42 -0.12 1.25 0.00 -1.18 -1.41 119.26 119.39 2a1y h ALA 191 Ca 0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2a1y h ALA 191 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2a1y h ALA 191 CO 0.08 0.75 -0.02 0.00 0.00 0.00 0.00 179.25 180.07 2a1y h ALA 192 N 0.74 1.76 0.02 0.00 0.00 -0.36 -2.48 119.26 118.94 2a1y h ALA 192 Ca -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a1y h ALA 192 Cb 1.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2a1y h ALA 192 CO 0.15 0.19 -0.01 1.25 0.00 0.00 0.00 179.25 180.83 2a1y h LEU 193 N 0.16 -0.03 -0.94 0.00 5.85 -1.03 -1.68 115.31 117.64 2a1y h LEU 193 Ca 0.04 -0.50 0.29 0.00 0.84 0.00 0.00 57.88 58.54 2a1y h LEU 193 Cb 0.15 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.03 2a1y h LEU 193 CO 0.00 0.50 0.35 -0.09 -0.34 0.00 0.00 178.44 178.86 2a1y h ARG 194 N -0.56 0.19 0.11 1.25 2.43 -1.00 -0.44 114.38 116.36 2a1y h ARG 194 Ca -0.00 -0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 58.84 2a1y h ARG 194 Cb 0.53 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2a1y h ARG 194 CO 0.01 0.13 -1.64 0.11 -1.51 0.00 0.00 179.97 177.06 2a1y h TRP 195 N 0.20 0.43 -0.44 2.20 5.08 -1.42 -2.33 115.95 119.66 2a1y h TRP 195 Ca 0.65 -0.31 -0.04 0.00 1.08 0.00 0.00 58.89 60.27 2a1y h TRP 195 Cb 1.43 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.55 2a1y h TRP 195 CO -0.19 1.43 0.13 0.00 -1.28 0.00 0.00 178.44 178.53 2a1y h ALA 197 N 0.98 1.27 -0.55 0.00 0.00 -1.06 -1.97 119.26 117.93 2a1y h ALA 197 Ca 0.14 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.20 2a1y h ALA 197 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2a1y h ALA 197 CO -0.00 0.31 0.61 0.87 0.00 0.00 0.00 179.25 181.04 2a1y h LYS 198 N 1.02 0.00 -0.15 0.00 6.56 -1.46 -2.46 116.57 120.09 2a1y h LYS 198 Ca 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.99 2a1y h LYS 198 Cb 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 2a1y h LYS 198 CO -0.19 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.20 2a1y n ALA 199 N -2.32 2.19 -2.79 3.86 0.00 -0.75 -5.01 120.51 115.69 2a1y n ALA 199 Ca 0.11 -1.35 -0.36 0.00 0.00 0.00 0.00 53.44 51.84 2a1y n ALA 199 Cb 0.82 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 2a1y n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a1y s ALA 200 N -1.38 3.57 -0.45 0.00 0.00 -0.93 -4.69 121.76 117.88 2a1y s ALA 200 Ca 0.16 -0.72 0.22 0.00 0.00 0.00 0.00 51.96 51.62 2a1y s ALA 200 Cb 0.11 -1.78 -0.13 0.00 0.00 0.00 0.00 23.12 21.31 2a1y s ALA 200 CO 0.07 0.51 0.83 0.43 0.00 0.00 0.00 175.76 177.60 2a1y n SER 201 N 2.37 0.50 -4.61 0.00 7.64 -1.26 -4.98 113.62 113.29 2a1y n SER 201 Ca -0.19 -0.23 -0.25 0.00 1.01 0.00 0.00 58.87 59.21 2a1y n SER 201 Cb 0.54 1.19 -0.08 0.00 -1.01 0.00 0.00 64.21 64.85 2a1y n SER 201 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2a1y s LYS 202 N -3.28 2.18 0.29 1.43 3.01 -1.26 -5.08 119.74 117.03 2a1y s LYS 202 Ca 0.00 -1.32 -0.28 0.00 -1.01 0.00 0.00 55.97 53.36 2a1y s LYS 202 Cb 0.14 -2.17 -0.14 0.00 -1.01 0.00 0.00 37.83 34.65 2a1y s LYS 202 CO 0.85 0.41 1.06 -2.30 0.51 0.00 0.00 175.35 175.87 2a1y n PRO 203 N -0.37 1.45 -4.36 -1.68 -0.02 -1.25 -4.77 135.00 124.00 2a1y n PRO 203 Ca -0.09 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 2a1y n PRO 203 Cb 0.57 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 32.03 2a1y n PRO 203 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2a1y s ILE 204 N -1.01 4.20 -0.38 4.25 1.01 -1.26 -1.95 121.20 126.06 2a1y s ILE 204 Ca 0.59 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.81 2a1y s ILE 204 Cb -0.69 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2a1y s ILE 204 CO 0.60 0.55 0.36 -0.63 0.00 0.00 0.00 174.94 175.83 2a1y s ILE 205 N -0.36 5.17 -0.21 2.92 1.01 0.10 -1.20 121.20 128.62 2a1y s ILE 205 Ca 0.07 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 2a1y s ILE 205 Cb -0.12 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 2a1y s ILE 205 CO 0.02 -0.22 1.28 0.00 0.00 0.00 0.00 174.94 176.01 2a1y s ALA 206 N 1.98 3.55 -0.30 9.38 0.00 -0.00 0.56 121.76 136.94 2a1y s ALA 206 Ca 0.10 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.41 2a1y s ALA 206 Cb -0.17 -3.68 0.07 0.00 0.00 0.00 0.00 23.12 19.34 2a1y s ALA 206 CO 0.12 -1.39 -0.03 0.34 0.00 0.00 0.00 175.76 174.80 2a1y s ASP 207 N 2.27 4.68 0.00 0.00 2.15 0.94 -0.33 116.67 126.38 2a1y s ASP 207 Ca 0.55 -1.58 0.00 0.00 0.43 0.00 0.00 52.55 51.96 2a1y s ASP 207 Cb -0.20 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 2a1y s ASP 207 CO 0.17 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 2a1y n GLY 208 N 4.45 2.51 1.76 2.66 0.00 -1.13 -4.29 105.19 111.14 2a1y n GLY 208 Ca -0.09 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2a1y n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1y n GLY 209 N 1.21 2.62 3.66 -0.02 0.00 -1.16 -4.86 105.19 106.64 2a1y n GLY 209 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2a1y n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a1y s ILE 210 N -2.19 3.41 -0.02 -0.61 -1.09 -1.26 -4.87 121.20 114.57 2a1y s ILE 210 Ca 0.00 0.50 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 2a1y s ILE 210 Cb 0.00 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 2a1y s ILE 210 CO 0.00 -0.05 0.06 0.54 -1.23 0.00 0.00 174.94 174.26 2a1y n ARG 211 N 7.27 1.10 -4.17 2.79 5.12 -1.26 -4.68 116.66 122.83 2a1y n ARG 211 Ca 0.18 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.98 2a1y n ARG 211 Cb 0.42 -0.98 -0.10 0.00 -1.16 0.00 0.00 32.46 30.64 2a1y n ARG 211 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2a1y s THR 212 N -2.00 0.31 0.26 0.55 -4.23 -1.26 -5.03 115.64 104.24 2a1y s THR 212 Ca -0.01 -1.92 0.16 0.00 -1.18 0.00 0.00 61.69 58.75 2a1y s THR 212 Cb 0.01 -1.98 0.10 0.00 1.34 0.00 0.00 72.50 71.98 2a1y s THR 212 CO 0.09 -0.56 1.75 0.78 -0.54 0.00 0.00 174.62 176.14 2a1y h ASN 213 N 2.86 0.00 -0.56 3.99 2.35 -1.99 -2.94 115.58 119.29 2a1y h ASN 213 Ca -0.35 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.56 2a1y h ASN 213 Cb 1.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 2a1y h ASN 213 CO 0.61 0.41 0.44 1.23 -1.65 0.00 0.00 177.43 178.48 2a1y h GLY 214 N 1.69 0.00 2.00 2.83 0.00 -1.97 -1.57 103.07 106.05 2a1y h GLY 214 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2a1y h GLY 214 CO 0.05 0.00 -0.25 -0.55 0.00 0.00 0.00 176.54 175.79 2a1y h ASP 215 N 0.00 0.00 0.30 0.19 3.32 -1.92 -0.08 116.42 118.23 2a1y h ASP 215 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2a1y h ASP 215 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2a1y h ASP 215 CO -0.00 0.25 -0.14 0.58 -1.72 0.00 0.00 179.24 178.20 2a1y h VAL 216 N 0.00 0.71 -0.96 -1.35 2.07 -1.43 -1.20 116.25 114.10 2a1y h VAL 216 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2a1y h VAL 216 Cb 0.74 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2a1y h VAL 216 CO 0.03 0.01 0.60 0.00 0.02 0.00 0.00 177.57 178.23 2a1y h ALA 217 N 0.28 1.22 -0.42 1.67 0.00 -1.36 -0.99 119.26 119.65 2a1y h ALA 217 Ca -0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2a1y h ALA 217 Cb 0.32 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2a1y h ALA 217 CO 0.07 0.64 0.03 0.87 0.00 0.00 0.00 179.25 180.86 2a1y h LYS 218 N 1.31 0.66 -0.38 0.00 1.57 -0.95 0.23 116.57 119.01 2a1y h LYS 218 Ca 0.35 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 2a1y h LYS 218 Cb -0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2a1y h LYS 218 CO -0.07 0.65 -0.28 0.77 -0.57 0.00 0.00 179.45 179.96 2a1y h SER 219 N 0.63 0.90 0.13 0.86 0.02 -0.25 -2.05 113.55 113.78 2a1y h SER 219 Ca 0.13 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2a1y h SER 219 Cb 0.35 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 2a1y h SER 219 CO 0.01 1.14 -0.30 0.40 -1.14 0.00 0.00 176.83 176.95 2a1y h ILE 220 N 0.66 0.36 -0.86 3.27 1.08 -0.37 -0.63 117.51 121.02 2a1y h ILE 220 Ca 0.07 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.77 2a1y h ILE 220 Cb 0.85 0.36 -0.15 0.00 -3.07 0.00 0.00 36.82 34.82 2a1y h ILE 220 CO 0.07 0.00 0.12 -0.09 -0.69 0.00 0.00 178.15 177.57 2a1y h ARG 221 N -0.52 0.13 -0.66 2.37 9.65 -0.18 -1.80 114.38 123.37 2a1y h ARG 221 Ca 0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2a1y h ARG 221 Cb 0.55 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2a1y h ARG 221 CO -0.17 0.09 0.00 1.19 2.80 0.00 0.00 179.97 183.88 2a1y n PHE 222 N -5.32 1.66 0.00 2.20 3.72 -0.81 -4.72 117.46 114.19 2a1y n PHE 222 Ca 0.19 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 2a1y n PHE 222 Cb 0.64 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2a1y n PHE 222 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2a1y n GLY 223 N 0.56 1.77 3.71 1.37 0.00 -0.68 -3.48 105.19 108.44 2a1y n GLY 223 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2a1y n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1y n ALA 224 N -0.24 1.35 -0.02 4.61 0.00 -0.30 -4.61 120.51 121.30 2a1y n ALA 224 Ca 0.00 0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.51 2a1y n ALA 224 Cb 0.00 -2.28 -0.14 0.00 0.00 0.00 0.00 19.45 17.03 2a1y n ALA 224 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2a1y n THR 225 N -0.28 1.71 -4.05 0.00 -1.04 -0.34 -4.55 114.28 105.72 2a1y n THR 225 Ca 0.07 -0.69 -0.13 0.00 -2.04 0.00 0.00 64.05 61.27 2a1y n THR 225 Cb 0.40 -1.51 -0.12 0.00 -1.82 0.00 0.00 70.33 67.28 2a1y n THR 225 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2a1y s MET 226 N -2.56 0.48 -0.19 -2.82 -2.45 -1.08 -4.75 119.30 105.93 2a1y s MET 226 Ca -0.19 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 53.56 2a1y s MET 226 Cb 0.07 -0.23 0.03 0.00 1.25 0.00 0.00 34.83 35.95 2a1y s MET 226 CO 0.77 0.04 -0.15 0.08 1.05 0.00 0.00 175.02 176.81 2a1y s VAL 227 N -1.31 1.87 0.01 10.11 1.01 0.48 -0.82 120.40 131.75 2a1y s VAL 227 Ca -0.10 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.62 2a1y s VAL 227 Cb -0.09 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2a1y s VAL 227 CO 0.00 0.33 0.74 -0.32 0.00 0.00 0.00 175.10 175.85 2a1y s MET 228 N 1.32 4.47 -0.07 2.72 -2.45 0.56 -0.81 119.30 125.04 2a1y s MET 228 Ca 0.01 1.00 0.00 0.00 -1.25 0.00 0.00 55.69 55.45 2a1y s MET 228 Cb -0.15 -3.39 0.02 0.00 1.25 0.00 0.00 34.83 32.57 2a1y s MET 228 CO -0.10 0.22 -0.04 0.42 1.05 0.00 0.00 175.02 176.57 2a1y s ILE 229 N 0.19 0.60 0.00 10.11 1.01 -0.17 -2.86 121.20 130.08 2a1y s ILE 229 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2a1y s ILE 229 Cb -0.20 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2a1y s ILE 229 CO 0.21 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2a1y n GLY 230 N 4.56 -0.30 0.29 6.18 0.00 -1.26 -0.65 105.19 114.01 2a1y n GLY 230 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.89 2a1y n GLY 230 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2a1y h SER 231 N 0.00 -0.67 1.08 1.61 0.87 -1.95 0.42 113.55 114.90 2a1y h SER 231 Ca 0.00 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2a1y h SER 231 Cb 0.00 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2a1y h SER 231 CO 0.00 -0.26 0.00 -0.07 -0.53 0.00 0.00 176.83 175.97 2a1y h LEU 232 N 0.02 0.00 -0.01 2.23 3.38 -1.86 -2.16 115.31 116.91 2a1y h LEU 232 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2a1y h LEU 232 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2a1y h LEU 232 CO -0.80 0.00 -0.99 0.49 0.09 0.00 0.00 178.44 177.23 2a1y n PHE 233 N -2.89 0.00 -1.85 1.13 3.72 0.12 -4.95 117.46 112.74 2a1y n PHE 233 Ca 0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.02 2a1y n PHE 233 Cb 0.32 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 2a1y n PHE 233 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a1y s ALA 234 N -2.99 3.28 0.00 4.37 0.00 0.09 -4.14 121.76 122.37 2a1y s ALA 234 Ca 0.08 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2a1y s ALA 234 Cb 0.16 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2a1y s ALA 234 CO 0.86 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2a1y n GLY 235 N 0.58 0.48 3.91 0.00 0.00 -1.26 -4.79 105.19 104.12 2a1y n GLY 235 Ca 0.04 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2a1y n GLY 235 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a1y s HIS 236 N -2.00 2.94 0.21 1.61 4.02 -1.26 0.34 115.29 121.15 2a1y s HIS 236 Ca 0.00 0.66 -0.09 0.00 1.02 0.00 0.00 55.06 56.64 2a1y s HIS 236 Cb 0.00 -3.40 0.26 0.00 -1.02 0.00 0.00 32.58 28.42 2a1y s HIS 236 CO 0.00 -1.66 1.78 0.93 1.02 0.00 0.00 174.74 176.81 2a1y h GLU 237 N -0.91 0.53 0.00 1.40 5.08 -0.58 -1.40 114.58 118.69 2a1y h GLU 237 Ca -0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2a1y h GLU 237 Cb 1.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2a1y h GLU 237 CO 0.64 0.35 0.00 0.93 -1.00 0.00 0.00 179.01 179.93 2a1y h GLU 238 N 0.54 0.00 -7.04 2.33 3.07 -1.94 -3.48 114.58 108.06 2a1y h GLU 238 Ca 0.30 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.64 2a1y h GLU 238 Cb 0.29 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.30 2a1y h GLU 238 CO -0.24 0.00 0.52 -1.12 -1.40 0.00 0.00 179.01 176.77 2a1y s SER 239 N -4.87 5.62 0.63 1.42 0.01 -0.53 -4.91 113.70 111.07 2a1y s SER 239 Ca 0.09 2.48 -0.17 0.00 1.31 0.00 0.00 55.95 59.66 2a1y s SER 239 Cb 0.11 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.65 2a1y s SER 239 CO 0.60 -1.31 0.48 -2.65 0.41 0.00 0.00 173.24 170.76 2a1y n PRO 240 N -0.95 0.41 0.00 12.44 -0.02 -1.26 -4.91 135.00 140.71 2a1y n PRO 240 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2a1y n PRO 240 Cb 0.47 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2a1y n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a1y n GLY 241 N 1.80 2.47 3.96 -1.23 0.00 -1.26 -4.84 105.19 106.08 2a1y n GLY 241 Ca 0.11 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 2a1y n GLY 241 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a1y s GLU 242 N -3.52 2.98 -0.06 1.61 -1.05 -1.26 -4.91 118.70 112.49 2a1y s GLU 242 Ca 0.00 -0.55 0.03 0.00 -0.15 0.00 0.00 54.97 54.29 2a1y s GLU 242 Cb 0.00 -2.55 -0.03 0.00 -0.44 0.00 0.00 34.13 31.11 2a1y s GLU 242 CO 0.00 -0.33 -0.11 0.99 0.95 0.00 0.00 175.26 176.75 2a1y s THR 243 N -2.58 3.31 0.19 1.83 2.01 -1.26 -3.72 115.64 115.42 2a1y s THR 243 Ca 0.50 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.94 2a1y s THR 243 Cb -0.10 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 2a1y s THR 243 CO 0.38 0.59 -0.14 0.27 -0.69 0.00 0.00 174.62 175.04 2a1y s ILE 244 N -0.76 1.60 0.00 1.82 -0.00 -0.62 -4.95 121.20 118.29 2a1y s ILE 244 Ca 0.12 -2.16 0.00 0.00 -0.00 0.00 0.00 60.65 58.61 2a1y s ILE 244 Cb -0.11 -1.98 0.00 0.00 -0.00 0.00 0.00 42.46 40.38 2a1y s ILE 244 CO 0.01 -0.62 0.00 1.21 -0.00 0.00 0.00 174.94 175.54 2a1y n GLU 245 N -0.29 0.00 0.00 0.37 2.13 -1.26 -2.38 120.64 119.21 2a1y n GLU 245 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2a1y n GLU 245 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 2a1y n GLU 245 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2a1y n LYS 249 N 0.00 0.00 -5.03 5.31 4.01 -1.26 -5.13 118.16 116.06 2a1y n LYS 249 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 2a1y n LYS 249 Cb 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.35 2a1y n LYS 249 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2a1y s LEU 250 N 0.00 1.96 0.06 -0.35 2.96 -1.25 -5.10 118.68 116.96 2a1y s LEU 250 Ca 0.00 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2a1y s LEU 250 Cb 0.00 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.48 2a1y s LEU 250 CO 0.00 0.14 0.21 -0.31 -1.32 0.00 0.00 176.35 175.07 2a1y s TYR 251 N 0.32 0.06 0.03 5.38 1.51 -1.00 -1.63 117.35 122.02 2a1y s TYR 251 Ca -0.14 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2a1y s TYR 251 Cb -0.16 -0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.65 2a1y s TYR 251 CO 0.06 -0.48 -0.06 0.15 -1.11 0.00 0.00 175.55 174.12 2a1y s LYS 252 N -2.98 0.42 0.51 -0.62 1.02 -1.06 -1.59 119.74 115.44 2a1y s LYS 252 Ca -0.02 -0.62 -0.19 0.00 0.02 0.00 0.00 55.97 55.15 2a1y s LYS 252 Cb 0.01 -0.16 -0.08 0.00 -0.52 0.00 0.00 37.83 37.09 2a1y s LYS 252 CO -0.06 0.02 1.04 -1.21 -0.92 0.00 0.00 175.35 174.22 2a1y s GLU 253 N -1.34 3.72 -0.10 1.68 2.02 -1.24 -0.02 118.70 123.40 2a1y s GLU 253 Ca -0.10 1.33 -0.04 0.00 0.02 0.00 0.00 54.97 56.18 2a1y s GLU 253 Cb -0.09 -2.08 0.05 0.00 0.10 0.00 0.00 34.13 32.11 2a1y s GLU 253 CO -0.00 -0.50 0.21 -0.47 0.02 0.00 0.00 175.26 174.52 2a1y s TYR 254 N -2.07 -0.30 0.15 1.61 5.04 -1.26 -4.76 117.35 115.75 2a1y s TYR 254 Ca 0.67 0.78 -0.16 0.00 -2.44 0.00 0.00 57.07 55.91 2a1y s TYR 254 Cb -0.16 -0.11 0.03 0.00 0.35 0.00 0.00 41.96 42.07 2a1y s TYR 254 CO 0.23 -0.29 0.44 -0.59 -1.34 0.00 0.00 175.55 173.99 2a1y s PHE 255 N 2.13 -0.17 0.47 4.97 -0.12 -1.26 -4.96 117.98 119.05 2a1y s PHE 255 Ca -0.00 -0.15 0.05 0.00 -0.05 0.00 0.00 56.93 56.78 2a1y s PHE 255 Cb -0.12 0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.55 2a1y s PHE 255 CO -0.07 -0.77 0.19 0.20 -0.05 0.00 0.00 175.22 174.72 2a1y s GLY 256 N -2.83 2.53 -0.12 1.99 0.00 -1.26 -4.52 107.32 103.10 2a1y s GLY 256 Ca 0.05 -1.46 0.20 0.00 0.00 0.00 0.00 44.72 43.51 2a1y s GLY 256 CO -0.09 -2.00 1.18 1.44 0.00 0.00 0.00 173.10 173.63 2a1y n SER 257 N -1.38 1.63 0.00 1.64 7.64 -1.26 -5.12 113.62 116.77 2a1y n SER 257 Ca -0.06 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.13 2a1y n SER 257 Cb 0.65 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2a1y n SER 257 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2a1y n PHE 275 N -0.23 0.00 -4.13 1.43 3.01 -1.26 -5.09 117.46 111.19 2a1y n PHE 275 Ca 0.13 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.44 2a1y n PHE 275 Cb 0.95 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.37 2a1y n PHE 275 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2a1y s VAL 276 N -1.23 0.00 0.02 -4.37 1.01 0.97 -4.14 120.40 112.66 2a1y s VAL 276 Ca 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 61.98 60.31 2a1y s VAL 276 Cb 0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2a1y s VAL 276 CO 0.00 0.00 0.03 -1.83 0.00 0.00 0.00 175.10 173.30 2a1y s GLU 277 N -3.24 2.81 0.23 2.72 -1.05 -1.26 -2.58 118.70 116.33 2a1y s GLU 277 Ca 0.32 -0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 54.21 2a1y s GLU 277 Cb 0.01 -2.69 -0.10 0.00 -0.44 0.00 0.00 34.13 30.90 2a1y s GLU 277 CO 0.21 0.61 1.48 -1.58 0.95 0.00 0.00 175.26 176.92 2a1y s HIS 278 N -1.18 3.01 -1.50 4.83 5.65 -0.65 -4.77 115.29 120.69 2a1y s HIS 278 Ca 0.22 0.92 0.16 0.00 0.25 0.00 0.00 55.06 56.61 2a1y s HIS 278 Cb -0.12 -3.86 0.01 0.00 -1.18 0.00 0.00 32.58 27.44 2a1y s HIS 278 CO 0.14 -2.89 0.86 1.63 -0.65 0.00 0.00 174.74 173.82 2a1y n LYS 279 N 2.71 1.66 0.00 2.88 5.02 0.15 -5.00 118.16 125.58 2a1y n LYS 279 Ca 0.08 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 2a1y n LYS 279 Cb 0.40 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2a1y n LYS 279 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a1y n GLY 280 N 1.10 -1.85 3.80 0.72 0.00 -1.26 -4.89 105.19 102.80 2a1y n GLY 280 Ca 0.07 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 2a1y n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a1y s SER 281 N -4.00 7.18 0.39 1.61 1.04 -1.26 0.21 113.70 118.87 2a1y s SER 281 Ca 0.00 1.50 0.15 0.00 0.48 0.00 0.00 55.95 58.08 2a1y s SER 281 Cb 0.00 -2.45 0.80 0.00 0.10 0.00 0.00 66.02 64.47 2a1y s SER 281 CO 0.00 0.11 1.84 0.25 0.98 0.00 0.00 173.24 176.42 2a1y h LEU 282 N 3.79 0.00 -0.96 2.42 5.85 -1.95 -1.73 115.31 122.73 2a1y h LEU 282 Ca -0.48 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 2a1y h LEU 282 Cb 1.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2a1y h LEU 282 CO 0.65 0.35 0.23 -0.08 -0.34 0.00 0.00 178.44 179.25 2a1y h GLU 283 N 0.00 0.98 0.06 1.25 4.81 -1.98 -0.37 114.58 119.33 2a1y h GLU 283 Ca -0.00 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2a1y h GLU 283 Cb 0.65 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2a1y h GLU 283 CO 0.04 0.83 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.68 2a1y h ASP 284 N 0.95 -0.06 -0.69 1.04 3.32 -1.72 -1.31 116.42 117.94 2a1y h ASP 284 Ca 0.22 -0.23 0.14 0.00 0.02 0.00 0.00 57.03 57.18 2a1y h ASP 284 Cb 0.24 0.02 -0.13 0.00 0.22 0.00 0.00 39.33 39.67 2a1y h ASP 284 CO -0.01 0.19 -0.20 0.74 -1.72 0.00 0.00 179.24 178.24 2a1y h THR 285 N -0.32 0.27 -0.37 0.35 2.02 -1.23 0.02 112.91 113.65 2a1y h THR 285 Ca -0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 2a1y h THR 285 Cb 0.29 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2a1y h THR 285 CO 0.01 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.65 2a1y h LEU 286 N -0.02 0.69 -0.33 2.58 3.38 -0.89 -0.00 115.31 120.71 2a1y h LEU 286 Ca 0.33 -0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 2a1y h LEU 286 Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2a1y h LEU 286 CO -0.72 0.88 -0.60 0.40 0.09 0.00 0.00 178.44 178.48 2a1y h ILE 287 N 0.61 1.29 0.01 1.22 2.04 -0.82 -2.04 117.51 119.83 2a1y h ILE 287 Ca 0.09 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 2a1y h ILE 287 Cb 0.66 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2a1y h ILE 287 CO 0.05 0.58 -0.01 -0.08 0.00 0.00 0.00 178.15 178.69 2a1y h GLU 288 N 0.57 -0.01 -0.65 2.37 4.81 -0.69 0.25 114.58 121.22 2a1y h GLU 288 Ca -0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2a1y h GLU 288 Cb 1.20 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.46 2a1y h GLU 288 CO 0.13 0.06 -0.34 0.52 -0.73 0.00 0.00 179.01 178.65 2a1y h MET 289 N -0.09 -0.13 -0.50 1.92 2.86 -1.01 0.37 114.93 118.35 2a1y h MET 289 Ca -0.00 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2a1y h MET 289 Cb 0.08 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2a1y h MET 289 CO 0.00 -0.09 0.30 1.49 1.06 0.00 0.00 176.91 179.68 2a1y h GLU 290 N -0.14 0.59 -0.79 1.72 4.81 -1.04 0.10 114.58 119.83 2a1y h GLU 290 Ca 0.25 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2a1y h GLU 290 Cb 0.56 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2a1y h GLU 290 CO -0.72 0.39 0.38 1.96 -0.73 0.00 0.00 179.01 180.28 2a1y h GLN 291 N 0.60 1.13 -0.12 1.92 4.20 0.71 0.24 115.11 123.80 2a1y h GLN 291 Ca 0.20 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 2a1y h GLN 291 Cb 0.01 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 2a1y h GLN 291 CO -0.08 0.88 -0.36 -0.44 -0.67 0.00 0.00 178.83 178.16 2a1y h ASP 292 N 1.11 0.25 1.03 1.46 3.32 0.28 -1.36 116.42 122.51 2a1y h ASP 292 Ca 0.27 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 2a1y h ASP 292 Cb 0.12 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2a1y h ASP 292 CO -0.03 0.59 -0.82 0.25 -1.72 0.00 0.00 179.24 177.51 2a1y h LEU 293 N 0.21 0.00 -0.42 1.55 5.85 -0.74 -0.39 115.31 121.37 2a1y h LEU 293 Ca 0.02 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 2a1y h LEU 293 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2a1y h LEU 293 CO 0.06 0.82 -0.70 1.56 -0.34 0.00 0.00 178.44 179.83 2a1y h GLN 294 N 0.00 0.44 -0.82 1.25 4.20 -0.61 -1.08 115.11 118.49 2a1y h GLN 294 Ca -0.01 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.38 2a1y h GLN 294 Cb 1.55 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.36 2a1y h GLN 294 CO 0.11 0.98 0.54 0.77 -0.67 0.00 0.00 178.83 180.55 2a1y h SER 295 N 0.30 0.90 -0.11 1.46 0.02 -0.72 -0.74 113.55 114.66 2a1y h SER 295 Ca -0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2a1y h SER 295 Cb 1.28 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2a1y h SER 295 CO 0.12 0.63 0.07 0.28 -1.14 0.00 0.00 176.83 176.79 2a1y h SER 296 N 1.05 0.12 -0.60 3.07 0.02 -0.73 -1.51 113.55 114.97 2a1y h SER 296 Ca 0.32 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.29 2a1y h SER 296 Cb -0.03 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2a1y h SER 296 CO -0.08 0.09 0.40 0.40 -1.14 0.00 0.00 176.83 176.50 2a1y h ILE 297 N 0.14 1.09 0.03 3.27 2.04 -0.76 0.23 117.51 123.55 2a1y h ILE 297 Ca 0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2a1y h ILE 297 Cb -0.01 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2a1y h ILE 297 CO -0.01 0.13 -0.04 0.28 0.00 0.00 0.00 178.15 178.52 2a1y h SER 298 N 0.72 -0.10 -0.00 1.72 0.02 -0.76 -2.30 113.55 112.86 2a1y h SER 298 Ca 0.24 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2a1y h SER 298 Cb 0.07 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2a1y h SER 298 CO -0.06 -0.06 -0.03 1.88 -1.14 0.00 0.00 176.83 177.42 2a1y h TYR 299 N -0.08 0.10 0.00 3.45 -1.99 -0.88 -1.81 116.97 115.76 2a1y h TYR 299 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2a1y h TYR 299 Cb 0.08 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.78 2a1y h TYR 299 CO -0.09 0.14 0.00 0.00 -0.00 0.00 0.00 178.16 178.20 2a1y n ALA 300 N -2.52 2.61 -1.73 3.88 0.00 0.03 -0.63 120.51 122.15 2a1y n ALA 300 Ca -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 2a1y n ALA 300 Cb 0.15 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2a1y n ALA 300 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1y n GLY 301 N 0.83 0.45 0.00 0.00 0.00 -0.68 -4.58 105.19 101.21 2a1y n GLY 301 Ca 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2a1y n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1y n GLY 302 N -1.48 4.21 0.00 -0.02 0.00 -0.92 -4.54 105.19 102.44 2a1y n GLY 302 Ca -0.08 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2a1y n GLY 302 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a1y n THR 303 N 0.00 0.05 -4.54 2.61 -2.24 -1.26 -4.34 114.28 104.56 2a1y n THR 303 Ca 0.00 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 2a1y n THR 303 Cb 0.00 -0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 2a1y n THR 303 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2a1y s LYS 304 N -2.09 1.84 0.23 -0.78 -2.85 -1.26 -0.63 119.74 114.21 2a1y s LYS 304 Ca -0.01 -2.07 -0.06 0.00 -1.00 0.00 0.00 55.97 52.83 2a1y s LYS 304 Cb 0.01 -1.06 0.40 0.00 -2.06 0.00 0.00 37.83 35.12 2a1y s LYS 304 CO 0.07 -0.24 1.74 1.25 0.10 0.00 0.00 175.35 178.27 2a1y h LEU 305 N 1.87 0.30 -2.04 2.77 5.85 -1.60 -2.18 115.31 120.29 2a1y h LEU 305 Ca -0.41 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2a1y h LEU 305 Cb 1.26 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2a1y h LEU 305 CO 0.70 0.14 0.00 0.44 -0.34 0.00 0.00 178.44 179.38 2a1y h ASP 306 N 0.46 0.00 -0.70 1.25 3.32 -1.93 -1.00 116.42 117.82 2a1y h ASP 306 Ca 0.38 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.53 2a1y h ASP 306 Cb 0.53 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.04 2a1y h ASP 306 CO -0.36 0.00 0.46 0.77 -1.72 0.00 0.00 179.24 178.39 2a1y h SER 307 N 0.00 0.51 -0.20 6.45 4.64 -1.75 -1.76 113.55 121.44 2a1y h SER 307 Ca 0.00 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2a1y h SER 307 Cb 0.17 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2a1y h SER 307 CO 0.00 0.31 0.17 0.40 -0.87 0.00 0.00 176.83 176.83 2a1y h ILE 308 N 0.57 0.72 0.00 0.95 2.04 -1.37 -2.66 117.51 117.76 2a1y h ILE 308 Ca 0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.18 2a1y h ILE 308 Cb 0.50 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2a1y h ILE 308 CO -0.11 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.07 2a1y h ARG 309 N 0.00 0.00 -0.00 2.37 3.08 -1.50 -3.23 114.38 115.09 2a1y h ARG 309 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2a1y h ARG 309 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2a1y h ARG 309 CO -0.00 0.00 -0.54 0.25 -1.07 0.00 0.00 179.97 178.61 2a1y n THR 310 N -2.89 0.00 -2.11 2.04 -2.24 -1.00 -4.90 114.28 103.17 2a1y n THR 310 Ca -0.01 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 2a1y n THR 310 Cb 0.18 1.02 0.02 0.00 -2.10 0.00 0.00 70.33 69.45 2a1y n THR 310 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2a1y s VAL 311 N -2.09 3.03 0.89 2.28 -7.23 -1.22 -5.04 120.40 111.02 2a1y s VAL 311 Ca 0.06 0.61 -0.13 0.00 -1.81 0.00 0.00 61.98 60.71 2a1y s VAL 311 Cb 0.10 -3.22 0.13 0.00 0.56 0.00 0.00 36.38 33.95 2a1y s VAL 311 CO 0.48 -0.17 1.17 -0.62 -0.31 0.00 0.00 175.10 175.66 2a1y s ASP 312 N -1.85 3.73 0.11 4.85 2.15 -1.26 -4.89 116.67 119.51 2a1y s ASP 312 Ca 0.73 0.81 -0.18 0.00 0.43 0.00 0.00 52.55 54.34 2a1y s ASP 312 Cb -0.25 -1.29 0.04 0.00 -0.30 0.00 0.00 42.92 41.12 2a1y s ASP 312 CO 0.31 -2.39 0.45 -0.72 -0.17 0.00 0.00 175.17 172.65 2a1y s TYR 313 N -3.44 -0.30 0.17 -5.34 -0.85 -1.26 -0.12 117.35 106.21 2a1y s TYR 313 Ca 0.64 0.09 0.09 0.00 -0.52 0.00 0.00 57.07 57.37 2a1y s TYR 313 Cb -0.12 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 2a1y s TYR 313 CO 0.52 -0.70 -0.18 0.14 -1.52 0.00 0.00 175.55 173.81 2a1y s VAL 314 N -3.42 1.84 -0.35 -3.49 -7.23 -0.03 -4.95 120.40 102.76 2a1y s VAL 314 Ca 0.00 -1.95 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 2a1y s VAL 314 Cb 0.01 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 2a1y s VAL 314 CO -0.09 -0.33 0.22 -0.69 -0.31 0.00 0.00 175.10 173.90 2a1y s VAL 315 N -2.10 4.99 0.80 1.32 1.01 -1.26 -1.11 120.40 124.05 2a1y s VAL 315 Ca 0.17 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2a1y s VAL 315 Cb -0.05 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.78 2a1y s VAL 315 CO 0.07 -0.09 1.15 0.68 0.00 0.00 0.00 175.10 176.91 2a1y s VAL 316 N 1.66 2.07 -0.18 2.92 -7.23 0.17 -5.00 120.40 114.82 2a1y s VAL 316 Ca 0.05 -0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.02 2a1y s VAL 316 Cb -0.18 -2.99 -0.21 0.00 0.56 0.00 0.00 36.38 33.56 2a1y s VAL 316 CO 0.09 0.00 0.18 1.17 -0.31 0.00 0.00 175.10 176.22 2a1y n LYS 317 N -3.25 0.66 0.00 4.82 4.81 -1.26 -4.85 118.16 119.09 2a1y n LYS 317 Ca 0.09 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 2a1y n LYS 317 Cb 0.61 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 33.97 2a1y n LYS 317 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2a1y n ASN 318 N -3.88 0.00 -3.89 3.14 5.03 -1.26 -5.07 115.26 109.33 2a1y n ASN 318 Ca -0.36 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 54.96 2a1y n ASN 318 Cb 0.90 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.57 2a1y n ASN 318 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2a1y s SER 319 N -0.97 0.49 0.00 6.41 1.04 -1.26 -4.91 113.70 114.49 2a1y s SER 319 Ca 0.00 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2a1y s SER 319 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2a1y s SER 319 CO 0.00 -0.99 0.00 2.30 0.98 0.00 0.00 173.24 175.53 2a1y n ILE 320 N -0.39 0.00 0.70 -1.02 -5.35 -1.12 -5.04 119.36 107.13 2a1y n ILE 320 Ca 0.02 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.59 2a1y n ILE 320 Cb 0.64 0.00 0.07 0.00 -1.74 0.00 0.00 39.64 38.61 2a1y n ILE 320 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28