#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a9x s LYS 19 N 0.00 3.86 -0.15 -0.14 -0.14 -1.26 -4.87 119.74 117.03 3a9x s LYS 19 Ca 0.00 0.65 -0.03 0.00 -1.36 0.00 0.00 55.97 55.23 3a9x s LYS 19 Cb 0.00 -2.31 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 3a9x s LYS 19 CO 0.00 -0.10 -0.06 0.08 -0.76 0.00 0.00 175.35 174.51 3a9x s VAL 20 N -2.42 3.67 -0.26 3.17 1.01 0.27 -5.01 120.40 120.83 3a9x s VAL 20 Ca 0.54 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3a9x s VAL 20 Cb -0.10 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3a9x s VAL 20 CO 0.30 0.50 0.18 -0.47 0.00 0.00 0.00 175.10 175.60 3a9x s TYR 21 N 0.43 3.26 -0.30 5.22 5.04 -1.26 -0.95 117.35 128.79 3a9x s TYR 21 Ca -0.05 0.17 0.16 0.00 -2.44 0.00 0.00 57.07 54.91 3a9x s TYR 21 Cb -0.15 -2.33 0.48 0.00 0.35 0.00 0.00 41.96 40.31 3a9x s TYR 21 CO 0.03 -0.06 1.09 -1.33 -1.34 0.00 0.00 175.55 173.95 3a9x n MET 22 N 4.72 2.22 -2.44 4.97 2.81 0.18 -4.80 117.12 124.78 3a9x n MET 22 Ca -0.14 -3.71 -0.14 0.00 -1.81 0.00 0.00 57.70 51.89 3a9x n MET 22 Cb 0.52 -1.75 0.03 0.00 -0.71 0.00 0.00 33.22 31.30 3a9x n MET 22 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3a9x n ASP 23 N -0.50 3.33 0.26 7.83 2.03 -1.15 -0.68 116.55 127.67 3a9x n ASP 23 Ca 0.19 -3.03 0.12 0.00 0.52 0.00 0.00 54.79 52.59 3a9x n ASP 23 Cb 0.83 -0.43 0.71 0.00 -0.72 0.00 0.00 41.12 41.51 3a9x n ASP 23 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3a9x h TYR 24 N 2.49 0.00 0.00 -0.67 0.05 -1.58 -0.72 116.97 116.54 3a9x h TYR 24 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 3a9x h TYR 24 Cb 1.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.05 3a9x h TYR 24 CO 0.68 0.12 0.00 0.09 -1.05 0.00 0.00 178.16 178.00 3a9x n ASN 25 N -3.74 0.65 -0.02 3.88 4.13 -1.26 -3.16 115.26 115.75 3a9x n ASN 25 Ca -0.02 0.61 -0.20 0.00 1.68 0.00 0.00 54.58 56.65 3a9x n ASN 25 Cb 0.23 -0.77 -0.13 0.00 -1.54 0.00 0.00 39.78 37.57 3a9x n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a9x h ALA 26 N 2.42 0.14 -1.97 5.41 0.00 -1.52 -3.48 119.26 120.26 3a9x h ALA 26 Ca 0.00 -0.98 0.19 0.00 0.00 0.00 0.00 54.91 54.12 3a9x h ALA 26 Cb 0.51 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 3a9x h ALA 26 CO 0.00 0.64 0.62 -0.08 0.00 0.00 0.00 179.25 180.43 3a9x s THR 27 N -2.42 0.00 0.23 0.00 -1.32 -1.13 -4.94 115.64 106.06 3a9x s THR 27 Ca -0.21 -0.15 0.06 0.00 -1.21 0.00 0.00 61.69 60.19 3a9x s THR 27 Cb 0.03 -1.31 -0.05 0.00 -1.51 0.00 0.00 72.50 69.66 3a9x s THR 27 CO 0.73 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 173.48 3a9x s THR 28 N -2.87 1.51 0.76 5.08 -4.23 -0.90 -4.09 115.64 110.89 3a9x s THR 28 Ca 0.09 -2.13 -0.09 0.00 -1.18 0.00 0.00 61.69 58.38 3a9x s THR 28 Cb -0.00 -2.22 0.08 0.00 1.34 0.00 0.00 72.50 71.69 3a9x s THR 28 CO -0.05 -0.46 1.09 -2.16 -0.54 0.00 0.00 174.62 172.50 3a9x s PRO 29 N -3.73 2.03 -0.02 3.99 0.04 -1.26 -4.79 135.00 131.26 3a9x s PRO 29 Ca 0.25 -0.14 -0.21 0.00 0.04 0.00 0.00 61.00 60.95 3a9x s PRO 29 Cb 0.02 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 3a9x s PRO 29 CO 0.08 -1.43 0.60 -0.51 0.04 0.00 0.00 177.00 175.77 3a9x s LEU 30 N -5.40 4.40 0.58 -3.56 1.43 -1.26 -4.15 118.68 110.71 3a9x s LEU 30 Ca 0.62 1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 54.65 3a9x s LEU 30 Cb -0.10 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 3a9x s LEU 30 CO 0.47 0.07 1.34 -1.61 0.23 0.00 0.00 176.35 176.85 3a9x s GLU 31 N -0.03 2.91 0.28 1.70 0.41 -0.85 -4.76 118.70 118.36 3a9x s GLU 31 Ca 0.31 2.18 0.02 0.00 -0.41 0.00 0.00 54.97 57.06 3a9x s GLU 31 Cb -0.18 -2.10 0.57 0.00 -1.78 0.00 0.00 34.13 30.64 3a9x s GLU 31 CO 0.17 -1.35 1.83 -1.35 -0.49 0.00 0.00 175.26 174.06 3a9x h PRO 32 N 1.11 0.93 -0.48 0.39 0.11 -1.96 0.04 132.00 132.14 3a9x h PRO 32 Ca -0.51 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 3a9x h PRO 32 Cb 1.31 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3a9x h PRO 32 CO 0.56 0.61 0.17 0.93 -0.21 0.00 0.00 178.00 180.07 3a9x h GLU 33 N 0.96 0.69 -0.17 1.05 3.07 -1.99 -1.76 114.58 116.42 3a9x h GLU 33 Ca 0.50 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 59.21 3a9x h GLU 33 Cb 0.54 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3a9x h GLU 33 CO -0.28 0.58 -0.09 0.28 -1.40 0.00 0.00 179.01 178.10 3a9x h VAL 34 N 0.68 1.31 -0.80 3.13 2.07 -1.47 0.70 116.25 121.87 3a9x h VAL 34 Ca 0.16 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3a9x h VAL 34 Cb 0.16 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3a9x h VAL 34 CO -0.01 0.34 0.53 0.40 0.02 0.00 0.00 177.57 178.85 3a9x h ILE 35 N 0.05 1.16 -0.20 4.57 2.04 -0.55 -1.75 117.51 122.82 3a9x h ILE 35 Ca 0.04 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3a9x h ILE 35 Cb 0.58 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3a9x h ILE 35 CO 0.03 0.19 -0.15 -0.61 0.00 0.00 0.00 178.15 177.61 3a9x h GLN 36 N 1.02 0.46 -0.38 2.37 4.15 -1.13 -1.45 115.11 120.15 3a9x h GLN 36 Ca 0.31 -0.22 0.07 0.00 0.77 0.00 0.00 58.65 59.57 3a9x h GLN 36 Cb -0.03 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 3a9x h GLN 36 CO -0.08 0.78 0.01 0.00 -1.93 0.00 0.00 178.83 177.60 3a9x h ALA 37 N 0.67 0.35 -0.29 3.38 0.00 -0.47 0.18 119.26 123.09 3a9x h ALA 37 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3a9x h ALA 37 Cb 0.67 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3a9x h ALA 37 CO 0.04 -0.39 0.15 0.28 0.00 0.00 0.00 179.25 179.34 3a9x h VAL 38 N 0.11 1.01 -0.38 0.00 2.07 -1.26 -1.30 116.25 116.51 3a9x h VAL 38 Ca 0.19 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3a9x h VAL 38 Cb 0.26 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3a9x h VAL 38 CO -0.30 0.06 0.11 0.74 0.02 0.00 0.00 177.57 178.19 3a9x h THR 39 N 0.32 1.22 -0.63 2.57 2.02 -0.96 -0.04 112.91 117.41 3a9x h THR 39 Ca 0.12 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3a9x h THR 39 Cb 0.02 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3a9x h THR 39 CO -0.07 0.25 0.38 -0.33 0.37 0.00 0.00 175.52 176.13 3a9x h GLU 40 N 0.47 0.86 -0.63 6.66 5.08 -0.80 -2.23 114.58 123.98 3a9x h GLU 40 Ca 0.12 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3a9x h GLU 40 Cb 0.27 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3a9x h GLU 40 CO -0.00 0.61 0.30 0.00 -1.00 0.00 0.00 179.01 178.92 3a9x h ALA 41 N 1.20 0.82 -0.99 3.43 0.00 -1.06 -0.16 119.26 122.50 3a9x h ALA 41 Ca 0.23 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3a9x h ALA 41 Cb -0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 3a9x h ALA 41 CO -0.04 0.38 0.63 0.52 0.00 0.00 0.00 179.25 180.74 3a9x h MET 42 N 0.87 1.01 0.11 0.00 2.86 -0.43 -0.60 114.93 118.74 3a9x h MET 42 Ca 0.22 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.65 3a9x h MET 42 Cb 0.12 -0.23 0.02 0.00 0.06 0.00 0.00 31.60 31.57 3a9x h MET 42 CO -0.03 0.67 -0.64 0.87 1.06 0.00 0.00 176.91 178.85 3a9x h LYS 43 N 1.04 0.25 0.00 1.72 1.57 -0.89 -3.41 116.57 116.85 3a9x h LYS 43 Ca 0.46 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3a9x h LYS 43 Cb 0.36 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3a9x h LYS 43 CO -0.22 1.18 -1.90 0.39 -0.57 0.00 0.00 179.45 178.34 3a9x n GLU 44 N -4.23 0.67 -2.34 3.15 1.02 -0.13 -4.65 120.64 114.12 3a9x n GLU 44 Ca -0.13 -0.14 -0.30 0.00 -0.02 0.00 0.00 57.16 56.57 3a9x n GLU 44 Cb 0.74 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.73 3a9x n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a9x n ALA 45 N -2.22 5.43 1.12 0.62 0.00 -0.24 -4.35 120.51 120.87 3a9x n ALA 45 Ca -0.07 -4.28 0.13 0.00 0.00 0.00 0.00 53.44 49.22 3a9x n ALA 45 Cb 0.58 -0.90 0.37 0.00 0.00 0.00 0.00 19.45 19.50 3a9x n ALA 45 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3a9x n TRP 46 N -0.50 0.00 -2.25 0.00 4.27 -1.23 -4.53 117.44 113.20 3a9x n TRP 46 Ca 0.43 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.77 3a9x n TRP 46 Cb 0.55 -0.24 0.17 0.00 -1.36 0.00 0.00 31.31 30.43 3a9x n TRP 46 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 3a9x s GLY 47 N -2.81 1.79 -0.12 -1.67 0.00 -1.08 -4.97 107.32 98.47 3a9x s GLY 47 Ca 0.17 -1.58 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 3a9x s GLY 47 CO 0.61 -0.84 1.45 0.21 0.00 0.00 0.00 173.10 174.52 3a9x s ASN 48 N -4.89 6.81 0.50 1.64 3.84 -1.26 -4.60 114.94 116.97 3a9x s ASN 48 Ca 0.73 1.94 0.34 0.00 0.21 0.00 0.00 52.86 56.07 3a9x s ASN 48 Cb -0.03 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.60 3a9x s ASN 48 CO 0.50 -0.85 1.73 -0.65 -2.79 0.00 0.00 177.10 175.04 3a9x h PRO 49 N 8.86 0.09 -0.23 0.43 0.11 -1.91 -1.70 132.00 137.66 3a9x h PRO 49 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3a9x h PRO 49 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3a9x h PRO 49 CO 0.96 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.69 3a9x n SER 50 N -4.32 2.99 -4.89 -2.05 3.41 -1.26 -4.20 113.62 103.30 3a9x n SER 50 Ca 0.30 -1.93 -0.29 0.00 -0.26 0.00 0.00 58.87 56.69 3a9x n SER 50 Cb 1.33 -0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 65.13 3a9x n SER 50 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3a9x s SER 51 N -1.69 6.31 0.00 4.04 0.01 -0.64 -5.01 113.70 116.72 3a9x s SER 51 Ca 0.35 1.14 0.24 0.00 1.31 0.00 0.00 55.95 58.98 3a9x s SER 51 Cb 0.21 -2.34 0.39 0.00 0.21 0.00 0.00 66.02 64.50 3a9x s SER 51 CO 0.31 -0.64 1.38 -1.54 0.41 0.00 0.00 173.24 173.15 3a9x n SER 52 N -2.24 3.01 -4.82 2.44 3.41 -1.26 -3.83 113.62 110.33 3a9x n SER 52 Ca 0.03 -1.94 -0.32 0.00 -0.26 0.00 0.00 58.87 56.37 3a9x n SER 52 Cb 0.55 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 3a9x n SER 52 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3a9x s TYR 53 N -1.76 3.13 0.15 7.33 -0.85 -1.26 -4.71 117.35 119.38 3a9x s TYR 53 Ca 0.34 1.47 -0.26 0.00 -0.52 0.00 0.00 57.07 58.09 3a9x s TYR 53 Cb 0.21 -2.92 0.01 0.00 0.38 0.00 0.00 41.96 39.64 3a9x s TYR 53 CO 0.31 -1.02 1.58 0.28 -1.52 0.00 0.00 175.55 175.18 3a9x h VAL 54 N 0.12 0.13 -0.60 -3.49 2.07 -1.98 0.14 116.25 112.65 3a9x h VAL 54 Ca -0.46 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.22 3a9x h VAL 54 Cb 1.21 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3a9x h VAL 54 CO 0.58 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.59 3a9x h ALA 55 N 0.48 2.47 0.11 1.67 0.00 -1.94 0.96 119.26 122.99 3a9x h ALA 55 Ca 0.14 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3a9x h ALA 55 Cb 0.58 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.41 3a9x h ALA 55 CO -0.56 -0.63 -0.62 0.78 0.00 0.00 0.00 179.25 178.21 3a9x h GLY 56 N 0.07 0.26 1.06 0.00 0.00 -1.21 -2.83 103.07 100.42 3a9x h GLY 56 Ca 0.29 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3a9x h GLY 56 CO -0.02 0.59 0.52 3.21 0.00 0.00 0.00 176.54 180.83 3a9x h ARG 57 N -0.52 1.24 -0.39 4.80 3.08 -0.35 0.69 114.38 122.93 3a9x h ARG 57 Ca -0.11 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 3a9x h ARG 57 Cb 1.49 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3a9x h ARG 57 CO 0.12 0.89 0.04 0.87 -1.07 0.00 0.00 179.97 180.81 3a9x h LYS 58 N 1.25 0.61 -0.30 0.04 1.57 -0.93 -1.05 116.57 117.75 3a9x h LYS 58 Ca 0.32 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 3a9x h LYS 58 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3a9x h LYS 58 CO -0.06 0.60 -0.23 0.00 -0.57 0.00 0.00 179.45 179.19 3a9x h ALA 59 N 1.46 0.44 -0.84 3.86 0.00 -1.13 -1.23 119.26 121.82 3a9x h ALA 59 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3a9x h ALA 59 Cb 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3a9x h ALA 59 CO 0.01 0.41 0.52 -0.22 0.00 0.00 0.00 179.25 179.97 3a9x h LYS 60 N 0.45 1.12 -0.20 0.00 3.64 -0.60 -1.11 116.57 119.87 3a9x h LYS 60 Ca 0.06 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3a9x h LYS 60 Cb 0.79 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3a9x h LYS 60 CO 0.06 0.77 0.05 -0.44 -2.27 0.00 0.00 179.45 177.62 3a9x h ASP 61 N 1.14 0.30 -0.31 4.20 3.32 -1.05 -0.91 116.42 123.12 3a9x h ASP 61 Ca 0.30 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.17 3a9x h ASP 61 Cb -0.08 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 3a9x h ASP 61 CO -0.06 0.45 0.03 0.40 -1.72 0.00 0.00 179.24 178.34 3a9x h ILE 62 N 0.14 0.81 -0.43 0.35 2.04 -0.90 -0.56 117.51 118.96 3a9x h ILE 62 Ca 0.06 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3a9x h ILE 62 Cb 0.27 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3a9x h ILE 62 CO 0.00 0.02 0.25 0.40 0.00 0.00 0.00 178.15 178.83 3a9x h ILE 63 N 0.13 1.15 -0.55 -0.67 2.04 -1.07 0.37 117.51 118.90 3a9x h ILE 63 Ca 0.15 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3a9x h ILE 63 Cb 0.18 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3a9x h ILE 63 CO -0.22 0.15 0.21 0.78 0.00 0.00 0.00 178.15 179.07 3a9x h ASN 64 N 0.57 0.77 -0.50 1.72 2.35 -0.80 -0.90 115.58 118.79 3a9x h ASN 64 Ca 0.15 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3a9x h ASN 64 Cb 0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3a9x h ASN 64 CO -0.03 0.74 0.25 0.74 -1.65 0.00 0.00 177.43 177.48 3a9x h THR 65 N 0.75 1.19 -0.57 2.81 2.02 -0.85 -1.40 112.91 116.86 3a9x h THR 65 Ca 0.18 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 3a9x h THR 65 Cb 0.22 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3a9x h THR 65 CO -0.01 0.21 -0.01 0.00 0.37 0.00 0.00 175.52 176.08 3a9x h ALA 66 N 1.09 0.90 -0.55 6.16 0.00 -0.71 0.39 119.26 126.54 3a9x h ALA 66 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3a9x h ALA 66 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3a9x h ALA 66 CO -0.02 0.65 0.28 -0.09 0.00 0.00 0.00 179.25 180.07 3a9x h ARG 67 N 0.92 0.79 -0.81 0.00 2.43 -0.79 -1.04 114.38 115.87 3a9x h ARG 67 Ca 0.16 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3a9x h ARG 67 Cb 0.54 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3a9x h ARG 67 CO 0.03 0.63 0.45 0.00 -1.51 0.00 0.00 179.97 179.57 3a9x h ALA 68 N 1.12 1.04 -0.34 2.80 0.00 -0.65 -1.59 119.26 121.63 3a9x h ALA 68 Ca 0.19 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3a9x h ALA 68 Cb 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3a9x h ALA 68 CO -0.03 0.54 0.10 0.77 0.00 0.00 0.00 179.25 180.64 3a9x h SER 69 N 1.12 0.10 -0.68 0.00 0.02 -0.02 0.12 113.55 114.20 3a9x h SER 69 Ca 0.29 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3a9x h SER 69 Cb 0.02 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3a9x h SER 69 CO -0.05 0.09 0.19 -0.07 -1.14 0.00 0.00 176.83 175.85 3a9x h LEU 70 N 0.24 1.02 -0.71 5.07 4.07 -1.06 -0.55 115.31 123.40 3a9x h LEU 70 Ca 0.16 -0.20 -0.10 0.00 0.08 0.00 0.00 57.88 57.82 3a9x h LEU 70 Cb 0.15 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 3a9x h LEU 70 CO -0.18 0.97 -0.06 0.00 -1.08 0.00 0.00 178.44 178.09 3a9x h ALA 71 N 1.16 0.91 -0.52 1.53 0.00 -0.80 -2.86 119.26 118.68 3a9x h ALA 71 Ca 0.22 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3a9x h ALA 71 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3a9x h ALA 71 CO -0.00 0.64 -0.13 -0.22 0.00 0.00 0.00 179.25 179.54 3a9x h LYS 72 N 0.84 1.00 -0.99 0.00 3.64 -0.24 0.82 116.57 121.65 3a9x h LYS 72 Ca 0.14 -0.39 0.19 0.00 -1.27 0.00 0.00 60.65 59.33 3a9x h LYS 72 Cb 0.58 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.25 3a9x h LYS 72 CO 0.04 1.07 0.61 1.98 -2.27 0.00 0.00 179.45 180.88 3a9x h MET 73 N 0.87 0.69 -0.54 1.90 4.05 -0.90 -2.53 114.93 118.47 3a9x h MET 73 Ca 0.13 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 3a9x h MET 73 Cb 0.70 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 3a9x h MET 73 CO 0.05 0.45 0.00 0.44 0.23 0.00 0.00 176.91 178.09 3a9x n ILE 74 N -4.70 1.12 -1.04 1.77 -5.35 -1.12 -4.58 119.36 105.47 3a9x n ILE 74 Ca 0.22 -1.05 -0.01 0.00 -0.27 0.00 0.00 62.75 61.64 3a9x n ILE 74 Cb 0.59 0.44 -0.01 0.00 -1.74 0.00 0.00 39.64 38.92 3a9x n ILE 74 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a9x n GLY 75 N 1.01 0.51 0.00 3.28 0.00 -0.80 -0.63 105.19 108.57 3a9x n GLY 75 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3a9x n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a9x n GLY 76 N -2.63 5.00 3.66 -0.02 0.00 0.22 -4.65 105.19 106.77 3a9x n GLY 76 Ca -0.01 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 3a9x n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a9x s LYS 77 N 0.53 2.61 0.30 1.61 1.02 -1.26 -4.33 119.74 120.21 3a9x s LYS 77 Ca 0.00 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 55.30 3a9x s LYS 77 Cb 0.00 -2.56 0.80 0.00 -0.52 0.00 0.00 37.83 35.54 3a9x s LYS 77 CO 0.00 0.58 1.69 -1.35 -0.92 0.00 0.00 175.35 175.35 3a9x h PRO 78 N 4.00 0.37 0.00 -1.68 0.11 -1.90 0.21 132.00 133.11 3a9x h PRO 78 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3a9x h PRO 78 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3a9x h PRO 78 CO 0.57 0.24 0.00 -0.56 -0.21 0.00 0.00 178.00 178.05 3a9x h GLN 79 N 0.38 0.00 -0.00 1.05 -0.00 -1.96 -1.85 115.11 112.74 3a9x h GLN 79 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.25 3a9x h GLN 79 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.66 3a9x h GLN 79 CO -0.55 0.00 -0.03 -0.25 -0.00 0.00 0.00 178.83 178.00 3a9x n ASP 80 N -2.63 0.08 -4.62 0.06 8.00 0.06 -4.70 116.55 112.80 3a9x n ASP 80 Ca 0.01 -0.18 -0.35 0.00 0.71 0.00 0.00 54.79 54.98 3a9x n ASP 80 Cb 0.25 -0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 3a9x n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3a9x s ILE 81 N -2.58 4.81 -0.14 0.53 -1.09 -0.70 -1.53 121.20 120.50 3a9x s ILE 81 Ca 0.28 -0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.70 3a9x s ILE 81 Cb 0.20 -3.18 0.01 0.00 -1.58 0.00 0.00 42.46 37.91 3a9x s ILE 81 CO 0.47 0.44 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.78 3a9x s ILE 82 N 0.56 2.00 0.30 2.92 1.01 -0.53 -4.98 121.20 122.47 3a9x s ILE 82 Ca 0.04 -0.94 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 3a9x s ILE 82 Cb -0.13 -1.77 -0.09 0.00 0.01 0.00 0.00 42.46 40.48 3a9x s ILE 82 CO 0.01 0.54 0.97 -0.36 0.00 0.00 0.00 174.94 176.10 3a9x s PHE 83 N 0.84 3.72 0.26 3.97 0.08 -1.26 0.33 117.98 125.92 3a9x s PHE 83 Ca -0.07 1.80 0.03 0.00 0.12 0.00 0.00 56.93 58.81 3a9x s PHE 83 Cb -0.15 -3.00 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 3a9x s PHE 83 CO -0.02 0.12 0.19 0.95 -0.10 0.00 0.00 175.22 176.36 3a9x s THR 84 N -1.45 0.04 -1.53 0.64 -4.23 -0.18 -4.90 115.64 104.03 3a9x s THR 84 Ca 0.48 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.26 3a9x s THR 84 Cb -0.22 -2.50 0.52 0.00 1.34 0.00 0.00 72.50 71.64 3a9x s THR 84 CO 0.28 0.00 1.92 -1.54 -0.54 0.00 0.00 174.62 174.75 3a9x n SER 85 N -0.81 0.00 0.00 3.99 3.41 -1.26 -1.95 113.62 117.00 3a9x n SER 85 Ca 0.04 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3a9x n SER 85 Cb 0.65 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3a9x n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a9x n GLY 86 N 0.93 -1.69 0.33 5.00 0.00 -1.26 -4.27 105.19 104.22 3a9x n GLY 86 Ca 0.14 -1.50 0.02 0.00 0.00 0.00 0.00 46.02 44.68 3a9x n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a9x h GLY 87 N 0.00 0.86 0.85 -0.02 0.00 -1.84 -0.80 103.07 102.12 3a9x h GLY 87 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3a9x h GLY 87 CO 0.00 0.32 0.04 -0.84 0.00 0.00 0.00 176.54 176.06 3a9x h THR 88 N 0.82 1.18 -0.34 4.70 2.02 -1.94 0.24 112.91 119.60 3a9x h THR 88 Ca 0.22 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3a9x h THR 88 Cb -0.09 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3a9x h THR 88 CO -0.05 0.17 0.18 -0.08 0.37 0.00 0.00 175.52 176.11 3a9x h GLU 89 N 0.04 0.47 -0.36 6.66 4.81 -1.86 -2.05 114.58 122.30 3a9x h GLU 89 Ca 0.05 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3a9x h GLU 89 Cb 0.22 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3a9x h GLU 89 CO -0.00 0.40 0.14 0.77 -0.73 0.00 0.00 179.01 179.59 3a9x h SER 90 N 0.42 0.18 -0.29 1.04 0.02 -0.84 -0.42 113.55 113.65 3a9x h SER 90 Ca 0.12 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3a9x h SER 90 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3a9x h SER 90 CO -0.02 0.14 0.08 0.78 -1.14 0.00 0.00 176.83 176.68 3a9x h ASN 91 N 0.31 0.43 -0.89 3.07 2.35 -0.82 -2.71 115.58 117.32 3a9x h ASN 91 Ca 0.16 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3a9x h ASN 91 Cb 0.11 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 3a9x h ASN 91 CO -0.14 0.53 0.57 0.78 -1.65 0.00 0.00 177.43 177.51 3a9x h ASN 92 N 0.30 0.93 0.10 5.81 2.35 -1.23 -2.81 115.58 121.03 3a9x h ASN 92 Ca 0.09 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3a9x h ASN 92 Cb 0.26 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3a9x h ASN 92 CO -0.00 0.63 -0.19 0.25 -1.65 0.00 0.00 177.43 176.47 3a9x h LEU 93 N 1.08 -0.53 -0.97 1.61 5.85 -0.92 -0.57 115.31 120.87 3a9x h LEU 93 Ca 0.36 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.17 3a9x h LEU 93 Cb 0.06 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3a9x h LEU 93 CO -0.14 -0.27 0.63 1.62 -0.34 0.00 0.00 178.44 179.95 3a9x h VAL 94 N -0.36 1.19 -0.35 1.05 3.04 -1.37 0.62 116.25 120.07 3a9x h VAL 94 Ca 0.03 -0.43 -0.07 0.00 -1.01 0.00 0.00 66.70 65.21 3a9x h VAL 94 Cb 0.38 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.48 3a9x h VAL 94 CO -0.11 0.23 -0.07 0.40 -1.01 0.00 0.00 177.57 177.01 3a9x h ILE 95 N 1.25 1.27 -0.27 3.17 2.04 -1.29 -2.05 117.51 121.64 3a9x h ILE 95 Ca 0.37 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3a9x h ILE 95 Cb -0.05 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3a9x h ILE 95 CO -0.11 0.37 0.13 -0.74 0.00 0.00 0.00 178.15 177.80 3a9x h HIS 96 N 0.47 0.39 -0.24 1.37 2.76 -0.64 -2.54 115.15 116.71 3a9x h HIS 96 Ca 0.09 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 3a9x h HIS 96 Cb 0.56 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 3a9x h HIS 96 CO 0.05 0.37 0.06 1.03 -1.30 0.00 0.00 177.93 178.13 3a9x h SER 97 N 0.30 0.31 -0.20 3.26 0.87 -0.89 -1.62 113.55 115.59 3a9x h SER 97 Ca 0.09 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3a9x h SER 97 Cb 0.12 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3a9x h SER 97 CO -0.01 0.32 -0.07 0.74 -0.53 0.00 0.00 176.83 177.29 3a9x h THR 98 N 0.35 1.29 -0.22 2.23 2.02 -1.06 0.05 112.91 117.58 3a9x h THR 98 Ca 0.08 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.20 3a9x h THR 98 Cb 0.14 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3a9x h THR 98 CO -0.00 0.33 0.10 0.58 0.37 0.00 0.00 175.52 176.90 3a9x h VAL 99 N 0.11 0.99 -0.10 3.16 2.07 -1.09 -2.03 116.25 119.37 3a9x h VAL 99 Ca 0.05 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3a9x h VAL 99 Cb 0.53 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3a9x h VAL 99 CO 0.02 0.04 -0.00 -0.09 0.02 0.00 0.00 177.57 177.56 3a9x h ARG 100 N 0.22 0.03 -0.90 1.57 9.65 -1.16 -2.06 114.38 121.74 3a9x h ARG 100 Ca 0.09 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.07 3a9x h ARG 100 Cb 0.03 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.52 3a9x h ARG 100 CO -0.07 0.02 0.54 0.00 2.80 0.00 0.00 179.97 183.26 3a9x h PHE 102 N 0.88 -0.44 -0.50 0.00 3.57 -1.11 -0.51 116.94 118.83 3a9x h PHE 102 Ca 0.44 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.03 3a9x h PHE 102 Cb 0.40 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 3a9x h PHE 102 CO -0.04 -0.21 -0.05 0.45 -2.23 0.00 0.00 178.31 176.24 3a9x h HIS 103 N -0.58 -0.12 -0.60 0.41 3.86 -0.61 -0.57 115.15 116.94 3a9x h HIS 103 Ca -0.05 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3a9x h HIS 103 Cb 0.43 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 3a9x h HIS 103 CO -0.03 -0.16 0.27 0.93 0.86 0.00 0.00 177.93 179.80 3a9x h GLU 104 N 0.07 0.87 -0.62 2.45 4.39 -0.81 -1.09 114.58 119.83 3a9x h GLU 104 Ca 0.25 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 3a9x h GLU 104 Cb 0.39 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3a9x h GLU 104 CO -0.46 0.72 0.28 0.37 -1.16 0.00 0.00 179.01 178.76 3a9x h GLN 105 N 0.82 0.91 0.37 2.33 4.15 -0.56 -1.97 115.11 121.15 3a9x h GLN 105 Ca 0.20 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3a9x h GLN 105 Cb 0.15 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3a9x h GLN 105 CO -0.02 0.75 -0.20 1.96 -1.93 0.00 0.00 178.83 179.38 3a9x h GLN 106 N 0.86 -0.51 -0.96 1.69 1.08 -0.82 -2.97 115.11 113.48 3a9x h GLN 106 Ca 0.21 0.03 0.28 0.00 -1.45 0.00 0.00 58.65 57.73 3a9x h GLN 106 Cb 0.15 0.11 -0.18 0.00 -0.05 0.00 0.00 27.48 27.52 3a9x h GLN 106 CO -0.02 -0.34 0.08 2.41 -0.95 0.00 0.00 178.83 180.01 3a9x n THR 107 N -3.52 -0.40 0.76 -0.54 -1.04 -0.44 0.35 114.28 109.44 3a9x n THR 107 Ca -0.06 2.10 0.08 0.00 -2.04 0.00 0.00 64.05 64.12 3a9x n THR 107 Cb 0.21 -3.10 0.41 0.00 -1.82 0.00 0.00 70.33 66.03 3a9x n THR 107 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3a9x n LEU 108 N -5.40 0.00 0.00 -4.42 4.77 -0.75 -5.10 117.00 106.10 3a9x n LEU 108 Ca 0.24 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3a9x n LEU 108 Cb 0.80 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3a9x n LEU 108 CO -0.06 -0.14 0.00 1.67 -1.33 0.00 0.00 177.39 177.53 3a9x n GLN 109 N -1.31 0.00 -0.05 3.23 7.27 1.07 -5.09 117.38 122.50 3a9x n GLN 109 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3a9x n GLN 109 Cb 0.14 -0.06 0.00 0.00 2.41 0.00 0.00 30.24 32.73 3a9x n GLN 109 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3a9x n THR 122 N -0.19 -0.30 -3.64 1.69 -1.04 -1.26 -5.03 114.28 104.51 3a9x n THR 122 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3a9x n THR 122 Cb 0.00 -0.30 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 3a9x n THR 122 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3a9x s ARG 123 N -3.75 3.73 0.77 -2.82 0.52 -1.26 -5.01 118.95 111.13 3a9x s ARG 123 Ca 0.00 0.20 -0.13 0.00 -0.52 0.00 0.00 55.73 55.27 3a9x s ARG 123 Cb 0.00 -3.19 0.06 0.00 0.52 0.00 0.00 34.95 32.34 3a9x s ARG 123 CO 0.00 0.71 1.16 -1.25 0.02 0.00 0.00 175.30 175.93 3a9x s PRO 124 N -1.17 2.01 -0.04 3.54 0.04 -1.26 -4.73 135.00 133.40 3a9x s PRO 124 Ca 0.22 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.87 3a9x s PRO 124 Cb -0.15 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3a9x s PRO 124 CO 0.11 -1.89 -0.22 -1.58 0.04 0.00 0.00 177.00 173.47 3a9x s HIS 125 N -2.35 2.04 0.09 0.56 2.46 -0.56 -2.10 115.29 115.43 3a9x s HIS 125 Ca 0.69 -0.50 0.08 0.00 0.47 0.00 0.00 55.06 55.79 3a9x s HIS 125 Cb -0.24 -1.34 -0.04 0.00 -0.13 0.00 0.00 32.58 30.83 3a9x s HIS 125 CO 0.49 -0.12 -0.14 -0.06 -2.47 0.00 0.00 174.74 172.44 3a9x s PHE 126 N -0.28 2.64 -0.12 3.88 0.08 0.05 -0.88 117.98 123.35 3a9x s PHE 126 Ca 0.02 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 56.88 3a9x s PHE 126 Cb -0.11 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 3a9x s PHE 126 CO 0.01 0.38 -0.20 0.42 -0.10 0.00 0.00 175.22 175.74 3a9x s ILE 127 N -1.13 1.84 0.02 0.64 1.01 -0.28 -1.30 121.20 122.00 3a9x s ILE 127 Ca 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3a9x s ILE 127 Cb -0.11 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 3a9x s ILE 127 CO 0.11 0.51 0.02 1.07 0.00 0.00 0.00 174.94 176.64 3a9x n THR 128 N 4.06 0.00 -4.61 2.92 5.66 -0.85 -0.31 114.28 121.15 3a9x n THR 128 Ca -0.20 -0.15 -0.29 0.00 -3.05 0.00 0.00 64.05 60.37 3a9x n THR 128 Cb 0.52 0.07 -0.10 0.00 -1.55 0.00 0.00 70.33 69.27 3a9x n THR 128 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3a9x n THR 130 N -1.04 0.10 -1.18 0.00 -2.24 -0.21 -3.89 114.28 105.82 3a9x n THR 130 Ca -0.07 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 3a9x n THR 130 Cb 0.67 -0.65 0.14 0.00 -2.10 0.00 0.00 70.33 68.39 3a9x n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3a9x n VAL 131 N -1.10 1.83 -1.04 2.28 0.24 -1.26 -4.86 118.33 114.41 3a9x n VAL 131 Ca 0.15 -2.27 -0.31 0.00 -2.04 0.00 0.00 64.34 59.87 3a9x n VAL 131 Cb 0.12 -0.20 0.12 0.00 -1.47 0.00 0.00 33.84 32.41 3a9x n VAL 131 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a9x s GLU 132 N -2.78 1.73 0.94 7.34 0.41 -1.25 -4.84 118.70 120.25 3a9x s GLU 132 Ca 0.31 1.37 -0.11 0.00 -0.41 0.00 0.00 54.97 56.14 3a9x s GLU 132 Cb 0.28 -1.82 0.16 0.00 -1.78 0.00 0.00 34.13 30.96 3a9x s GLU 132 CO 0.02 -2.07 1.12 -1.58 -0.49 0.00 0.00 175.26 172.25 3a9x s HIS 133 N -2.73 1.73 0.39 1.61 5.65 -1.26 -4.68 115.29 116.01 3a9x s HIS 133 Ca 0.64 1.64 0.09 0.00 0.25 0.00 0.00 55.06 57.68 3a9x s HIS 133 Cb -0.20 -3.26 0.85 0.00 -1.18 0.00 0.00 32.58 28.78 3a9x s HIS 133 CO 0.56 -2.83 1.97 -0.44 -0.65 0.00 0.00 174.74 173.35 3a9x h ASP 134 N -1.89 0.55 0.00 9.88 3.32 -1.98 -2.06 116.42 124.24 3a9x h ASP 134 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3a9x h ASP 134 Cb 1.27 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3a9x h ASP 134 CO 0.45 0.35 0.00 -1.54 -1.72 0.00 0.00 179.24 176.78 3a9x n SER 135 N -4.48 0.00 -0.04 6.45 3.41 -1.26 -0.97 113.62 116.73 3a9x n SER 135 Ca 0.10 -0.74 -0.08 0.00 -0.26 0.00 0.00 58.87 57.89 3a9x n SER 135 Cb 0.26 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 3a9x n SER 135 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3a9x n ILE 136 N -0.94 0.45 -0.01 -1.33 2.08 -0.84 -4.16 119.36 114.60 3a9x n ILE 136 Ca 0.14 -0.13 -0.12 0.00 0.56 0.00 0.00 62.75 63.20 3a9x n ILE 136 Cb 0.07 -1.35 -0.07 0.00 -0.75 0.00 0.00 39.64 37.54 3a9x n ILE 136 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 3a9x h ARG 137 N -0.20 0.11 -0.54 0.38 2.43 -1.36 -2.56 114.38 112.64 3a9x h ARG 137 Ca -0.20 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.88 3a9x h ARG 137 Cb 1.21 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3a9x h ARG 137 CO -0.10 0.24 0.05 -0.07 -1.51 0.00 0.00 179.97 178.59 3a9x h LEU 138 N -0.04 0.88 -0.78 3.80 3.38 -1.30 -0.55 115.31 120.71 3a9x h LEU 138 Ca 0.02 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3a9x h LEU 138 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3a9x h LEU 138 CO -0.00 0.94 0.20 -0.65 0.09 0.00 0.00 178.44 179.02 3a9x h PRO 139 N 0.79 1.12 -0.53 1.13 0.11 -1.73 -0.95 132.00 131.95 3a9x h PRO 139 Ca 0.16 -0.25 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 3a9x h PRO 139 Cb 0.46 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3a9x h PRO 139 CO 0.02 0.97 0.08 -0.07 -0.21 0.00 0.00 178.00 178.79 3a9x h LEU 140 N 1.07 0.79 -0.45 2.35 3.38 -1.28 -1.99 115.31 119.18 3a9x h LEU 140 Ca 0.23 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3a9x h LEU 140 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3a9x h LEU 140 CO -0.00 0.81 0.06 -0.33 0.09 0.00 0.00 178.44 179.07 3a9x h GLU 141 N 0.80 0.76 -0.77 1.13 5.08 -0.80 -2.31 114.58 118.48 3a9x h GLU 141 Ca 0.17 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 3a9x h GLU 141 Cb 0.36 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 3a9x h GLU 141 CO 0.01 0.79 0.44 1.25 -1.00 0.00 0.00 179.01 180.49 3a9x h HIS 142 N 0.62 0.80 -0.67 4.33 2.76 -0.84 -0.16 115.15 121.99 3a9x h HIS 142 Ca 0.14 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 3a9x h HIS 142 Cb 0.40 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 3a9x h HIS 142 CO 0.03 0.36 0.23 -0.07 -1.30 0.00 0.00 177.93 177.18 3a9x h LEU 143 N 0.77 0.93 0.01 0.26 3.38 -0.92 -2.20 115.31 117.54 3a9x h LEU 143 Ca 0.36 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3a9x h LEU 143 Cb 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3a9x h LEU 143 CO -0.21 0.85 -0.01 0.58 0.09 0.00 0.00 178.44 179.74 3a9x h VAL 144 N 0.97 1.28 -0.81 1.22 2.07 -0.73 0.43 116.25 120.69 3a9x h VAL 144 Ca 0.22 -0.90 0.15 0.00 0.82 0.00 0.00 66.70 67.00 3a9x h VAL 144 Cb 0.24 1.89 -0.10 0.00 -1.52 0.00 0.00 31.29 31.80 3a9x h VAL 144 CO -0.01 0.23 0.37 -0.33 0.02 0.00 0.00 177.57 177.85 3a9x h GLU 145 N -0.40 0.51 -0.00 1.57 5.08 -0.95 -0.18 114.58 120.20 3a9x h GLU 145 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3a9x h GLU 145 Cb 0.39 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3a9x h GLU 145 CO 0.00 0.34 -0.02 -0.25 -1.00 0.00 0.00 179.01 178.08 3a9x n ASP 146 N -4.94 0.40 -2.50 1.42 8.00 -0.84 -4.95 116.55 113.15 3a9x n ASP 146 Ca 0.16 -0.99 -0.20 0.00 0.71 0.00 0.00 54.79 54.47 3a9x n ASP 146 Cb 0.45 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3a9x n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a9x n GLN 147 N -0.75 -2.18 0.05 -1.24 6.02 -0.08 -4.89 117.38 114.32 3a9x n GLN 147 Ca 0.21 0.94 -0.17 0.00 -0.01 0.00 0.00 57.00 57.97 3a9x n GLN 147 Cb 0.20 -5.62 -0.14 0.00 1.02 0.00 0.00 30.24 25.70 3a9x n GLN 147 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3a9x h VAL 148 N -0.18 1.09 -4.10 5.09 2.07 -1.16 -3.49 116.25 115.57 3a9x h VAL 148 Ca -0.47 -2.75 -0.17 0.00 0.82 0.00 0.00 66.70 64.13 3a9x h VAL 148 Cb 1.35 2.72 -0.11 0.00 -1.52 0.00 0.00 31.29 33.73 3a9x h VAL 148 CO 0.55 0.81 -0.33 0.00 0.02 0.00 0.00 177.57 178.62 3a9x s ALA 149 N -2.61 0.49 0.09 1.67 0.00 -1.06 -4.32 121.76 116.02 3a9x s ALA 149 Ca -0.10 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.62 3a9x s ALA 149 Cb 0.07 1.22 -0.04 0.00 0.00 0.00 0.00 23.12 24.36 3a9x s ALA 149 CO 0.85 -0.74 -0.12 -1.21 0.00 0.00 0.00 175.76 174.53 3a9x s GLU 150 N -3.93 2.08 -0.07 0.00 2.02 -0.89 -3.85 118.70 114.05 3a9x s GLU 150 Ca 0.30 -1.03 -0.05 0.00 0.02 0.00 0.00 54.97 54.22 3a9x s GLU 150 Cb 0.02 -2.27 0.03 0.00 0.10 0.00 0.00 34.13 32.02 3a9x s GLU 150 CO 0.12 0.51 0.18 0.08 0.02 0.00 0.00 175.26 176.18 3a9x s VAL 151 N -1.15 -0.03 -0.26 2.63 1.01 -1.26 -0.77 120.40 120.57 3a9x s VAL 151 Ca 0.20 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 3a9x s VAL 151 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3a9x s VAL 151 CO 0.12 0.04 0.09 -0.89 0.00 0.00 0.00 175.10 174.45 3a9x s THR 152 N 0.71 4.43 -0.71 3.92 2.01 -0.42 -4.97 115.64 120.61 3a9x s THR 152 Ca -0.05 -0.15 -0.17 0.00 0.31 0.00 0.00 61.69 61.63 3a9x s THR 152 Cb -0.07 -3.09 0.15 0.00 0.01 0.00 0.00 72.50 69.50 3a9x s THR 152 CO -0.04 0.31 0.76 -0.36 -0.69 0.00 0.00 174.62 174.61 3a9x s PHE 153 N 1.63 3.28 0.08 4.92 0.08 -1.26 -2.00 117.98 124.71 3a9x s PHE 153 Ca 0.06 -1.39 -0.31 0.00 0.12 0.00 0.00 56.93 55.41 3a9x s PHE 153 Cb -0.15 -3.97 -0.08 0.00 -0.57 0.00 0.00 43.02 38.25 3a9x s PHE 153 CO 0.05 -1.20 1.57 0.08 -0.10 0.00 0.00 175.22 175.61 3a9x s VAL 154 N 1.77 3.11 0.48 -0.44 1.01 0.01 -4.53 120.40 121.82 3a9x s VAL 154 Ca 0.16 0.63 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 3a9x s VAL 154 Cb -0.18 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 3a9x s VAL 154 CO -0.01 0.01 1.12 -2.84 0.00 0.00 0.00 175.10 173.38 3a9x s PRO 155 N 2.17 3.71 0.66 2.72 0.02 -1.26 -1.05 135.00 141.98 3a9x s PRO 155 Ca 0.70 1.63 -0.06 0.00 0.02 0.00 0.00 61.00 63.30 3a9x s PRO 155 Cb -0.39 -2.27 0.05 0.00 0.02 0.00 0.00 34.50 31.91 3a9x s PRO 155 CO 0.31 -0.55 0.97 0.14 -0.33 0.00 0.00 177.00 177.53 3a9x s VAL 156 N -1.69 2.61 0.21 3.83 -7.23 -1.26 -4.69 120.40 112.18 3a9x s VAL 156 Ca 0.66 -0.25 -0.32 0.00 -1.81 0.00 0.00 61.98 60.25 3a9x s VAL 156 Cb -0.24 -3.10 -0.12 0.00 0.56 0.00 0.00 36.38 33.48 3a9x s VAL 156 CO 0.29 -0.10 1.68 -0.24 -0.31 0.00 0.00 175.10 176.42 3a9x n SER 157 N -2.79 3.81 0.00 4.85 2.88 -0.22 -4.78 113.62 117.37 3a9x n SER 157 Ca 0.07 1.08 0.10 0.00 -1.33 0.00 0.00 58.87 58.79 3a9x n SER 157 Cb 0.60 -1.55 0.47 0.00 -0.75 0.00 0.00 64.21 62.98 3a9x n SER 157 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3a9x n LYS 158 N 3.64 0.03 0.02 -1.46 0.00 -1.24 -1.89 118.16 117.27 3a9x n LYS 158 Ca 0.15 0.13 -0.01 0.00 -0.00 0.00 0.00 58.31 58.58 3a9x n LYS 158 Cb 0.34 -1.50 -0.00 0.00 -0.00 0.00 0.00 35.03 33.86 3a9x n LYS 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3a9x h VAL 159 N 0.00 0.00 0.00 0.58 2.07 -1.86 -3.29 116.25 113.74 3a9x h VAL 159 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3a9x h VAL 159 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3a9x h VAL 159 CO 0.00 0.00 -1.16 -0.46 0.02 0.00 0.00 177.57 175.97 3a9x n ASN 160 N -2.49 1.78 0.00 0.57 0.23 -1.25 -4.88 115.26 109.21 3a9x n ASN 160 Ca -0.01 -0.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.78 3a9x n ASN 160 Cb 0.03 1.33 0.00 0.00 -2.08 0.00 0.00 39.78 39.06 3a9x n ASN 160 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3a9x n GLY 161 N 1.66 0.90 3.75 4.83 0.00 -0.79 -4.95 105.19 110.59 3a9x n GLY 161 Ca -0.01 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3a9x n GLY 161 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a9x s GLN 162 N -0.63 2.98 0.37 1.61 -0.21 -1.26 -4.66 119.66 117.85 3a9x s GLN 162 Ca 0.00 -0.52 -0.24 0.00 0.02 0.00 0.00 55.36 54.63 3a9x s GLN 162 Cb 0.00 -2.80 -0.10 0.00 1.00 0.00 0.00 33.01 31.11 3a9x s GLN 162 CO 0.00 0.65 0.94 0.54 -2.12 0.00 0.00 175.29 175.29 3a9x s VAL 163 N -1.14 4.30 -0.09 1.09 0.11 -1.26 -1.05 120.40 122.36 3a9x s VAL 163 Ca 0.21 1.65 -0.04 0.00 -2.93 0.00 0.00 61.98 60.87 3a9x s VAL 163 Cb -0.12 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 3a9x s VAL 163 CO 0.12 -0.07 0.08 -1.61 -3.33 0.00 0.00 175.10 170.29 3a9x s GLU 164 N -2.57 3.23 0.25 1.54 2.02 -1.26 -4.57 118.70 117.34 3a9x s GLU 164 Ca 0.55 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 55.23 3a9x s GLU 164 Cb -0.14 -3.00 0.50 0.00 0.10 0.00 0.00 34.13 31.58 3a9x s GLU 164 CO 0.19 0.74 1.68 0.28 0.02 0.00 0.00 175.26 178.17 3a9x h VAL 165 N 3.96 0.50 -0.05 2.63 2.07 -1.95 -0.85 116.25 122.55 3a9x h VAL 165 Ca -0.53 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3a9x h VAL 165 Cb 1.21 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3a9x h VAL 165 CO 0.57 0.05 -0.27 -0.33 0.02 0.00 0.00 177.57 177.61 3a9x h GLU 166 N 0.28 0.09 -0.07 1.57 4.39 -1.99 -0.70 114.58 118.15 3a9x h GLU 166 Ca 0.44 -0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.90 3a9x h GLU 166 Cb 0.76 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3a9x h GLU 166 CO -0.52 0.36 -0.81 -0.44 -1.16 0.00 0.00 179.01 176.44 3a9x h ASP 167 N 0.08 0.62 0.40 1.42 3.32 -1.58 0.37 116.42 121.05 3a9x h ASP 167 Ca 0.01 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 3a9x h ASP 167 Cb 0.53 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3a9x h ASP 167 CO 0.04 1.20 -0.19 0.40 -1.72 0.00 0.00 179.24 178.97 3a9x h ILE 168 N 0.33 0.59 -0.87 0.35 1.08 -1.19 -2.18 117.51 115.62 3a9x h ILE 168 Ca -0.05 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 3a9x h ILE 168 Cb 1.41 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 3a9x h ILE 168 CO 0.15 0.06 0.56 -0.07 -0.69 0.00 0.00 178.15 178.16 3a9x h LEU 169 N -0.72 0.94 -1.96 1.44 -0.00 -1.08 0.10 115.31 114.04 3a9x h LEU 169 Ca -0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 3a9x h LEU 169 Cb 0.51 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 3a9x h LEU 169 CO 0.09 0.64 -0.05 0.00 -0.00 0.00 0.00 178.44 179.13 3a9x h ALA 170 N 1.36 1.07 0.00 1.53 0.00 -0.93 -2.56 119.26 119.73 3a9x h ALA 170 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3a9x h ALA 170 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a9x h ALA 170 CO -0.12 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.19 3a9x n ALA 171 N -2.14 2.29 -1.79 0.00 0.00 0.35 -4.88 120.51 114.34 3a9x n ALA 171 Ca -0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 3a9x n ALA 171 Cb 0.24 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 3a9x n ALA 171 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3a9x s VAL 172 N -2.72 2.28 0.40 0.00 1.01 -0.97 -5.01 120.40 115.38 3a9x s VAL 172 Ca 0.21 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.49 3a9x s VAL 172 Cb 0.18 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 3a9x s VAL 172 CO 0.44 0.05 0.04 -0.13 0.00 0.00 0.00 175.10 175.50 3a9x s ARG 173 N -1.29 1.90 0.41 2.72 0.52 -1.26 -5.01 118.95 116.93 3a9x s ARG 173 Ca 0.56 -2.11 0.07 0.00 -0.52 0.00 0.00 55.73 53.73 3a9x s ARG 173 Cb -0.45 -1.22 0.85 0.00 0.52 0.00 0.00 34.95 34.65 3a9x s ARG 173 CO 0.54 -0.21 2.05 -1.35 0.02 0.00 0.00 175.30 176.34 3a9x h PRO 174 N 1.81 0.52 -0.72 3.54 0.11 -2.00 -2.40 132.00 132.86 3a9x h PRO 174 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3a9x h PRO 174 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a9x h PRO 174 CO 0.73 0.36 0.00 0.25 -0.21 0.00 0.00 178.00 179.13 3a9x n THR 175 N -4.46 1.05 -1.73 -1.15 -2.24 -1.26 -4.47 114.28 100.02 3a9x n THR 175 Ca 0.03 -0.99 -0.42 0.00 -2.27 0.00 0.00 64.05 60.40 3a9x n THR 175 Cb 0.07 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3a9x n THR 175 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3a9x s THR 176 N -1.12 2.97 -0.16 4.28 2.01 -0.91 -1.50 115.64 121.21 3a9x s THR 176 Ca 0.49 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.65 3a9x s THR 176 Cb 0.26 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 3a9x s THR 176 CO 0.32 -0.01 0.16 0.00 -0.69 0.00 0.00 174.62 174.40 3a9x s LEU 178 N -2.00 0.65 -0.20 0.00 2.96 -1.24 -1.03 118.68 117.82 3a9x s LEU 178 Ca 0.01 0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 54.63 3a9x s LEU 178 Cb 0.02 1.21 0.01 0.00 0.50 0.00 0.00 46.19 47.94 3a9x s LEU 178 CO 0.12 -0.12 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.19 3a9x s VAL 179 N 0.19 2.46 -0.15 1.68 1.01 -0.08 -1.13 120.40 124.38 3a9x s VAL 179 Ca -0.00 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3a9x s VAL 179 Cb -0.02 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3a9x s VAL 179 CO 0.00 0.47 -0.19 0.28 0.00 0.00 0.00 175.10 175.66 3a9x s THR 180 N 1.34 1.89 -0.13 3.92 -1.32 0.57 -0.85 115.64 121.06 3a9x s THR 180 Ca 0.04 -0.86 -0.05 0.00 -1.21 0.00 0.00 61.69 59.61 3a9x s THR 180 Cb -0.14 -1.70 0.06 0.00 -1.51 0.00 0.00 72.50 69.21 3a9x s THR 180 CO -0.10 0.52 0.28 -0.63 -2.21 0.00 0.00 174.62 172.48 3a9x s ILE 181 N 1.06 -0.32 0.54 5.08 1.01 -0.94 -4.04 121.20 123.58 3a9x s ILE 181 Ca -0.02 0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.65 3a9x s ILE 181 Cb -0.14 -0.45 -0.06 0.00 0.01 0.00 0.00 42.46 41.81 3a9x s ILE 181 CO -0.06 0.10 1.12 1.15 0.00 0.00 0.00 174.94 177.25 3a9x n MET 182 N 5.03 1.30 -0.10 2.79 0.00 -1.26 -3.89 117.12 120.99 3a9x n MET 182 Ca -0.12 0.48 -0.10 0.00 0.00 0.00 0.00 57.70 57.96 3a9x n MET 182 Cb 0.51 -2.29 0.03 0.00 0.00 0.00 0.00 33.22 31.47 3a9x n MET 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3a9x h LEU 183 N 1.09 0.89 -7.43 3.17 5.85 -1.14 -3.40 115.31 114.34 3a9x h LEU 183 Ca -0.48 -0.36 -0.20 0.00 0.84 0.00 0.00 57.88 57.67 3a9x h LEU 183 Cb 1.34 -0.25 -0.29 0.00 0.37 0.00 0.00 40.66 41.83 3a9x h LEU 183 CO 0.54 1.12 -0.51 0.00 -0.34 0.00 0.00 178.44 179.25 3a9x s ALA 184 N -4.50 -0.47 0.30 1.25 0.00 -1.26 -0.18 121.76 116.89 3a9x s ALA 184 Ca -0.10 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 3a9x s ALA 184 Cb 0.12 -0.49 -0.10 0.00 0.00 0.00 0.00 23.12 22.65 3a9x s ALA 184 CO 0.86 -0.15 1.23 1.21 0.00 0.00 0.00 175.76 178.90 3a9x s ASN 185 N 0.86 6.98 0.39 0.00 3.84 -0.44 -4.74 114.94 121.83 3a9x s ASN 185 Ca -0.06 2.49 0.23 0.00 0.21 0.00 0.00 52.86 55.73 3a9x s ASN 185 Cb -0.08 -2.64 0.28 0.00 -0.55 0.00 0.00 41.25 38.27 3a9x s ASN 185 CO -0.05 -0.38 1.50 -0.55 -2.79 0.00 0.00 177.10 174.83 3a9x h ASN 186 N 3.78 0.00 0.20 -4.21 -1.07 -1.91 -0.68 115.58 111.69 3a9x h ASN 186 Ca -0.48 -0.00 -0.30 0.00 0.07 0.00 0.00 56.30 55.59 3a9x h ASN 186 Cb 1.22 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.49 3a9x h ASN 186 CO 0.67 0.00 -1.39 -0.33 0.07 0.00 0.00 177.43 176.46 3a9x h GLU 187 N 0.00 0.43 0.00 4.14 5.08 -1.93 -3.40 114.58 118.89 3a9x h GLU 187 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 3a9x h GLU 187 Cb 0.99 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3a9x h GLU 187 CO 0.00 1.35 -1.41 0.25 -1.00 0.00 0.00 179.01 178.21 3a9x n THR 188 N -3.81 0.00 -0.46 1.13 -2.24 -1.25 -4.67 114.28 102.98 3a9x n THR 188 Ca -0.19 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3a9x n THR 188 Cb 1.02 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3a9x n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a9x n GLY 189 N 1.68 1.33 3.75 3.38 0.00 -0.26 -4.57 105.19 110.51 3a9x n GLY 189 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3a9x n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a9x s VAL 190 N -3.18 2.09 -0.00 1.61 1.01 -1.26 -0.21 120.40 120.45 3a9x s VAL 190 Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 3a9x s VAL 190 Cb 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 3a9x s VAL 190 CO 0.00 0.01 0.65 -0.63 0.00 0.00 0.00 175.10 175.13 3a9x s ILE 191 N -0.18 4.89 0.22 2.22 -1.09 -0.26 -1.32 121.20 125.68 3a9x s ILE 191 Ca 0.61 1.36 -0.12 0.00 -2.23 0.00 0.00 60.65 60.27 3a9x s ILE 191 Cb -0.47 -3.99 -0.07 0.00 -1.58 0.00 0.00 42.46 36.34 3a9x s ILE 191 CO 0.50 0.38 0.59 -0.04 -1.23 0.00 0.00 174.94 175.14 3a9x s MET 192 N -0.01 3.90 -0.50 2.79 -1.94 0.74 -4.80 119.30 119.48 3a9x s MET 192 Ca 0.34 0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 54.70 3a9x s MET 192 Cb -0.19 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 33.87 3a9x s MET 192 CO 0.19 0.34 2.09 -0.35 -0.01 0.00 0.00 175.02 177.28 3a9x n PRO 193 N 0.12 1.59 -0.08 2.03 -0.04 -1.26 -4.68 135.00 132.67 3a9x n PRO 193 Ca -0.01 -1.04 -0.06 0.00 -0.04 0.00 0.00 63.50 62.35 3a9x n PRO 193 Cb 0.52 -2.15 -0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3a9x n PRO 193 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3a9x h ILE 194 N 3.05 0.70 -0.47 0.52 1.08 -1.91 -1.71 117.51 118.77 3a9x h ILE 194 Ca 0.31 -0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.87 3a9x h ILE 194 Cb 0.42 0.69 -0.09 0.00 -3.07 0.00 0.00 36.82 34.77 3a9x h ILE 194 CO 0.97 0.00 -0.13 0.28 -0.69 0.00 0.00 178.15 178.58 3a9x h SER 195 N 0.01 -0.48 -0.48 1.72 0.02 -1.83 -0.95 113.55 111.56 3a9x h SER 195 Ca 0.15 0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 3a9x h SER 195 Cb 0.22 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3a9x h SER 195 CO -0.31 -0.17 -0.16 -0.08 -1.14 0.00 0.00 176.83 174.97 3a9x h GLU 196 N -0.02 0.95 -0.12 3.45 4.57 -1.83 -1.80 114.58 119.79 3a9x h GLU 196 Ca 0.23 -0.38 0.03 0.00 -1.18 0.00 0.00 59.36 58.05 3a9x h GLU 196 Cb 0.36 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3a9x h GLU 196 CO -0.50 1.05 -0.05 0.82 -1.18 0.00 0.00 179.01 179.15 3a9x h ILE 197 N 0.80 0.82 -0.73 2.32 2.04 -0.86 -0.17 117.51 121.72 3a9x h ILE 197 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 3a9x h ILE 197 Cb 0.73 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 3a9x h ILE 197 CO 0.06 0.00 0.45 0.28 0.00 0.00 0.00 178.15 178.94 3a9x h SER 198 N -0.04 0.72 0.15 1.72 0.02 -1.00 0.19 113.55 115.31 3a9x h SER 198 Ca 0.07 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3a9x h SER 198 Cb 0.14 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3a9x h SER 198 CO -0.15 0.49 -0.07 -0.09 -1.14 0.00 0.00 176.83 175.87 3a9x h ARG 199 N 0.86 -0.19 -0.66 3.45 2.43 -0.99 0.18 114.38 119.46 3a9x h ARG 199 Ca 0.31 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3a9x h ARG 199 Cb 0.08 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3a9x h ARG 199 CO -0.13 -0.08 0.19 0.00 -1.51 0.00 0.00 179.97 178.43 3a9x h ARG 200 N -0.25 1.01 -0.13 0.20 2.47 -0.81 -1.37 114.38 115.50 3a9x h ARG 200 Ca -0.02 -0.21 -0.13 0.00 -1.26 0.00 0.00 59.98 58.35 3a9x h ARG 200 Cb 0.19 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 3a9x h ARG 200 CO 0.03 0.88 -0.50 0.82 0.56 0.00 0.00 179.97 181.77 3a9x h ILE 201 N 0.98 1.34 -0.28 2.04 1.08 -0.70 0.23 117.51 122.19 3a9x h ILE 201 Ca 0.21 -1.73 0.01 0.00 -0.39 0.00 0.00 64.86 62.96 3a9x h ILE 201 Cb 0.30 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 3a9x h ILE 201 CO -0.01 0.52 0.17 0.50 -0.69 0.00 0.00 178.15 178.65 3a9x h LYS 202 N 0.28 0.34 0.15 2.37 3.64 -0.03 0.33 116.57 123.64 3a9x h LYS 202 Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3a9x h LYS 202 Cb 0.97 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3a9x h LYS 202 CO 0.08 0.22 -0.07 0.00 -2.27 0.00 0.00 179.45 177.42 3a9x h ALA 203 N 1.11 -0.20 -0.63 5.00 0.00 -0.96 -2.75 119.26 120.84 3a9x h ALA 203 Ca 0.11 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3a9x h ALA 203 Cb -0.02 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3a9x h ALA 203 CO -0.04 -0.56 0.31 1.25 0.00 0.00 0.00 179.25 180.21 3a9x h LEU 204 N -0.29 0.42 -2.02 0.00 5.85 -0.62 -2.31 115.31 116.33 3a9x h LEU 204 Ca -0.02 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.87 3a9x h LEU 204 Cb 0.23 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3a9x h LEU 204 CO 0.03 0.27 0.34 0.78 -0.34 0.00 0.00 178.44 179.52 3a9x h ASN 205 N 0.57 0.00 -0.07 1.25 2.35 -0.06 0.14 115.58 119.76 3a9x h ASN 205 Ca 0.29 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.90 3a9x h ASN 205 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3a9x h ASN 205 CO -0.22 0.00 -0.44 1.56 -1.65 0.00 0.00 177.43 176.68 3a9x h GLN 206 N 0.00 0.61 -0.27 0.81 1.08 -1.33 0.01 115.11 116.03 3a9x h GLN 206 Ca 0.21 -0.33 -0.11 0.00 -1.45 0.00 0.00 58.65 56.96 3a9x h GLN 206 Cb 0.89 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3a9x h GLN 206 CO -0.00 0.93 -0.28 0.82 -0.95 0.00 0.00 178.83 179.36 3a9x h ILE 207 N 0.50 1.31 -0.83 2.54 2.04 -1.09 -2.85 117.51 119.13 3a9x h ILE 207 Ca 0.03 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 3a9x h ILE 207 Cb 0.97 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 3a9x h ILE 207 CO 0.09 0.46 0.42 0.03 0.00 0.00 0.00 178.15 179.14 3a9x h ARG 208 N 0.38 1.18 -0.86 2.37 3.08 -1.01 -1.86 114.38 117.65 3a9x h ARG 208 Ca 0.04 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 59.97 3a9x h ARG 208 Cb 0.84 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 3a9x h ARG 208 CO 0.07 0.89 0.56 0.00 -1.07 0.00 0.00 179.97 180.42 3a9x h ALA 209 N 1.28 1.47 -0.91 0.04 0.00 -0.88 -0.42 119.26 119.83 3a9x h ALA 209 Ca 0.29 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3a9x h ALA 209 Cb 0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3a9x h ALA 209 CO -0.04 0.44 0.60 0.00 0.00 0.00 0.00 179.25 180.25 3a9x h ALA 210 N 1.50 1.43 0.00 0.00 0.00 -1.10 -1.69 119.26 119.41 3a9x h ALA 210 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3a9x h ALA 210 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3a9x h ALA 210 CO -0.10 0.47 -0.46 0.43 0.00 0.00 0.00 179.25 179.58 3a9x n SER 211 N -4.45 0.52 0.00 0.00 7.64 -0.75 -4.94 113.62 111.64 3a9x n SER 211 Ca 0.12 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3a9x n SER 211 Cb 0.12 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3a9x n SER 211 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a9x n GLY 212 N 1.43 0.79 3.79 0.23 0.00 -0.26 -5.06 105.19 106.10 3a9x n GLY 212 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3a9x n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a9x s LEU 213 N 0.00 3.78 0.82 0.99 1.43 -0.63 -4.99 118.68 120.08 3a9x s LEU 213 Ca 0.00 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 3a9x s LEU 213 Cb 0.00 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.74 3a9x s LEU 213 CO 0.00 -1.01 1.10 -2.16 0.23 0.00 0.00 176.35 174.51 3a9x s PRO 214 N -3.31 1.85 0.41 1.29 0.04 -1.26 -4.44 135.00 129.58 3a9x s PRO 214 Ca 0.69 1.13 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 3a9x s PRO 214 Cb -0.20 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3a9x s PRO 214 CO 0.24 -1.92 0.97 -0.98 0.04 0.00 0.00 177.00 175.35 3a9x s ARG 215 N -4.88 4.25 -0.15 4.56 1.70 -1.26 -4.93 118.95 118.26 3a9x s ARG 215 Ca 0.62 1.24 -0.18 0.00 -0.47 0.00 0.00 55.73 56.95 3a9x s ARG 215 Cb -0.18 -2.35 -0.04 0.00 -0.57 0.00 0.00 34.95 31.81 3a9x s ARG 215 CO 0.57 -0.02 0.46 0.08 -1.08 0.00 0.00 175.30 175.31 3a9x s VAL 216 N -1.97 5.18 0.29 4.99 1.01 -1.26 -4.73 120.40 123.91 3a9x s VAL 216 Ca 0.59 0.89 0.06 0.00 0.00 0.00 0.00 61.98 63.53 3a9x s VAL 216 Cb -0.13 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3a9x s VAL 216 CO 0.18 0.30 0.36 -0.76 0.00 0.00 0.00 175.10 175.17 3a9x s LEU 217 N 0.87 4.01 -0.07 3.92 1.43 -0.20 -4.94 118.68 123.70 3a9x s LEU 217 Ca 0.24 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 3a9x s LEU 217 Cb -0.15 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.44 3a9x s LEU 217 CO 0.09 -0.23 -0.17 -0.69 0.23 0.00 0.00 176.35 175.58 3a9x s VAL 218 N -2.12 1.50 0.05 -1.59 1.01 -1.26 -0.91 120.40 117.08 3a9x s VAL 218 Ca 0.39 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3a9x s VAL 218 Cb -0.08 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3a9x s VAL 218 CO 0.29 0.43 -0.22 -2.28 0.00 0.00 0.00 175.10 173.32 3a9x s HIS 219 N 0.44 1.97 -0.05 5.22 5.04 -0.03 -0.08 115.29 127.80 3a9x s HIS 219 Ca -0.14 -0.39 0.02 0.00 -1.54 0.00 0.00 55.06 53.01 3a9x s HIS 219 Cb -0.16 -1.16 0.01 0.00 0.04 0.00 0.00 32.58 31.31 3a9x s HIS 219 CO 0.05 0.12 -0.09 -0.08 -2.34 0.00 0.00 174.74 172.40 3a9x s THR 220 N -0.84 0.86 -0.71 0.89 -1.32 -0.65 -2.22 115.64 111.66 3a9x s THR 220 Ca 0.09 -0.35 -0.26 0.00 -1.21 0.00 0.00 61.69 59.96 3a9x s THR 220 Cb -0.09 -0.80 0.04 0.00 -1.51 0.00 0.00 72.50 70.13 3a9x s THR 220 CO 0.02 0.29 1.22 -0.62 -2.21 0.00 0.00 174.62 173.32 3a9x s ASP 221 N 0.57 6.19 -0.04 8.08 -1.08 -1.25 -1.37 116.67 127.76 3a9x s ASP 221 Ca -0.10 -0.48 0.16 0.00 -0.52 0.00 0.00 52.55 51.60 3a9x s ASP 221 Cb -0.13 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.31 3a9x s ASP 221 CO 0.02 -1.75 1.42 0.00 0.52 0.00 0.00 175.17 175.38 3a9x n ALA 222 N 9.05 2.69 -0.35 3.66 0.00 -1.15 -0.53 120.51 133.89 3a9x n ALA 222 Ca 0.02 -1.09 0.04 0.00 0.00 0.00 0.00 53.44 52.42 3a9x n ALA 222 Cb 0.48 -0.99 0.12 0.00 0.00 0.00 0.00 19.45 19.06 3a9x n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a9x n ALA 223 N 0.97 0.16 1.18 0.00 0.00 -1.24 -1.02 120.51 120.56 3a9x n ALA 223 Ca 0.19 1.04 0.14 0.00 0.00 0.00 0.00 53.44 54.81 3a9x n ALA 223 Cb 0.59 -0.59 0.63 0.00 0.00 0.00 0.00 19.45 20.08 3a9x n ALA 223 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3a9x n GLN 224 N -5.54 0.21 -0.05 0.00 1.13 -1.26 -3.99 117.38 107.87 3a9x n GLN 224 Ca 0.14 -0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 55.05 3a9x n GLN 224 Cb 0.46 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.17 3a9x n GLN 224 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a9x n ALA 225 N -1.38 1.36 -1.71 -1.58 0.00 -0.19 -4.77 120.51 112.24 3a9x n ALA 225 Ca 0.10 -0.94 -0.42 0.00 0.00 0.00 0.00 53.44 52.18 3a9x n ALA 225 Cb 0.30 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 3a9x n ALA 225 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a9x n LEU 226 N -3.09 3.99 0.00 0.00 4.77 -1.18 -1.10 117.00 120.39 3a9x n LEU 226 Ca -0.29 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 3a9x n LEU 226 Cb 1.07 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3a9x n LEU 226 CO 0.41 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3a9x n GLY 227 N 4.02 1.23 0.00 -0.72 0.00 -1.26 -4.63 105.19 103.84 3a9x n GLY 227 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3a9x n GLY 227 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a9x n LYS 228 N -2.00 2.61 -3.57 1.61 5.02 -0.26 -4.45 118.16 117.13 3a9x n LYS 228 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3a9x n LYS 228 Cb 0.00 -0.75 -0.06 0.00 -0.02 0.00 0.00 35.03 34.20 3a9x n LYS 228 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3a9x s ARG 229 N -1.38 0.97 0.19 1.97 3.52 -0.91 -4.46 118.95 118.85 3a9x s ARG 229 Ca 0.00 0.43 -0.32 0.00 -0.13 0.00 0.00 55.73 55.72 3a9x s ARG 229 Cb 0.00 0.46 -0.12 0.00 -1.56 0.00 0.00 34.95 33.73 3a9x s ARG 229 CO 0.00 -0.26 1.75 0.50 -0.81 0.00 0.00 175.30 176.48 3a9x s ARG 230 N -0.76 4.13 -0.22 5.12 3.52 -1.26 -4.65 118.95 124.82 3a9x s ARG 230 Ca -0.08 2.61 -0.03 0.00 -0.13 0.00 0.00 55.73 58.10 3a9x s ARG 230 Cb -0.02 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 30.20 3a9x s ARG 230 CO 0.07 -0.77 -0.07 0.08 -0.81 0.00 0.00 175.30 173.80 3a9x s VAL 231 N 1.49 3.03 -0.13 7.11 1.01 -1.26 -5.07 120.40 126.58 3a9x s VAL 231 Ca 0.76 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3a9x s VAL 231 Cb -0.49 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.52 3a9x s VAL 231 CO 0.33 0.38 -0.00 -0.62 0.00 0.00 0.00 175.10 175.19 3a9x s ASP 232 N 1.41 2.22 0.53 3.32 2.15 -1.25 -4.08 116.67 120.96 3a9x s ASP 232 Ca 0.04 -0.41 0.24 0.00 0.43 0.00 0.00 52.55 52.85 3a9x s ASP 232 Cb -0.15 -0.59 1.48 0.00 -0.30 0.00 0.00 42.92 43.37 3a9x s ASP 232 CO -0.05 -0.22 2.14 -0.37 -0.17 0.00 0.00 175.17 176.49 3a9x h VAL 233 N 6.38 0.71 -0.05 1.11 -1.51 -1.13 0.25 116.25 122.01 3a9x h VAL 233 Ca -0.20 -0.29 -0.11 0.00 -1.23 0.00 0.00 66.70 64.88 3a9x h VAL 233 Cb 1.12 1.17 0.01 0.00 -2.13 0.00 0.00 31.29 31.46 3a9x h VAL 233 CO 0.32 0.07 -0.39 -0.33 -1.23 0.00 0.00 177.57 176.00 3a9x h GLU 234 N 0.00 0.35 -0.31 5.19 4.39 -1.83 0.42 114.58 122.79 3a9x h GLU 234 Ca -0.00 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 3a9x h GLU 234 Cb 0.17 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3a9x h GLU 234 CO 0.01 0.97 0.17 0.22 -1.16 0.00 0.00 179.01 179.22 3a9x h ASP 235 N -0.16 0.38 0.38 1.42 3.58 -1.70 -3.10 116.42 117.22 3a9x h ASP 235 Ca -0.04 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.26 3a9x h ASP 235 Cb 1.07 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 3a9x h ASP 235 CO 0.08 0.36 -0.30 -0.07 -2.88 0.00 0.00 179.24 176.43 3a9x h LEU 236 N 0.38 0.00 0.00 2.28 3.38 -0.51 -3.43 115.31 117.41 3a9x h LEU 236 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3a9x h LEU 236 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3a9x h LEU 236 CO -0.02 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.43 3a9x n GLY 237 N -0.53 0.18 3.83 0.83 0.00 0.15 -4.11 105.19 105.54 3a9x n GLY 237 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3a9x n GLY 237 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a9x s VAL 238 N -1.37 4.15 -0.14 1.61 -7.23 -1.24 -4.90 120.40 111.28 3a9x s VAL 238 Ca 0.00 0.80 0.21 0.00 -1.81 0.00 0.00 61.98 61.18 3a9x s VAL 238 Cb 0.00 -3.51 -0.15 0.00 0.56 0.00 0.00 36.38 33.28 3a9x s VAL 238 CO 0.00 -0.81 0.74 0.47 -0.31 0.00 0.00 175.10 175.19 3a9x n ASP 239 N -2.66 0.54 -3.95 4.85 8.00 0.88 -4.78 116.55 119.43 3a9x n ASP 239 Ca 0.07 0.22 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 3a9x n ASP 239 Cb 0.53 0.87 -0.10 0.00 -0.02 0.00 0.00 41.12 42.40 3a9x n ASP 239 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a9x s PHE 240 N -3.22 0.21 -0.22 1.24 0.08 -0.81 -1.34 117.98 113.92 3a9x s PHE 240 Ca -0.04 -0.46 -0.10 0.00 0.12 0.00 0.00 56.93 56.45 3a9x s PHE 240 Cb 0.10 -0.16 0.08 0.00 -0.57 0.00 0.00 43.02 42.48 3a9x s PHE 240 CO 0.83 -0.25 0.50 -1.17 -0.10 0.00 0.00 175.22 175.03 3a9x s LEU 241 N -1.64 -0.58 0.03 -0.37 0.20 -0.60 -1.63 118.68 114.10 3a9x s LEU 241 Ca -0.13 1.14 -0.25 0.00 0.69 0.00 0.00 54.13 55.59 3a9x s LEU 241 Cb -0.07 1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 47.32 3a9x s LEU 241 CO -0.01 -0.22 0.76 -0.89 -0.29 0.00 0.00 176.35 175.70 3a9x s THR 242 N 2.04 4.77 -0.13 3.68 2.01 -0.47 -0.72 115.64 126.81 3a9x s THR 242 Ca -0.07 1.61 0.02 0.00 0.31 0.00 0.00 61.69 63.57 3a9x s THR 242 Cb -0.09 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.32 3a9x s THR 242 CO -0.15 0.35 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.29 3a9x s ILE 243 N 0.03 2.17 -0.28 1.82 1.01 -0.80 -2.91 121.20 122.24 3a9x s ILE 243 Ca 0.38 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3a9x s ILE 243 Cb -0.20 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.48 3a9x s ILE 243 CO 0.22 0.55 -0.04 -0.69 0.00 0.00 0.00 174.94 174.98 3a9x s VAL 244 N 0.69 2.03 0.17 2.92 1.01 -1.26 -1.61 120.40 124.36 3a9x s VAL 244 Ca -0.10 -1.78 -0.27 0.00 0.00 0.00 0.00 61.98 59.83 3a9x s VAL 244 Cb -0.16 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3a9x s VAL 244 CO 0.01 -0.25 1.55 1.23 0.00 0.00 0.00 175.10 177.64 3a9x h GLY 245 N 7.77 -0.57 1.21 4.51 0.00 -1.37 -2.50 103.07 112.12 3a9x h GLY 245 Ca -0.14 0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3a9x h GLY 245 CO 0.47 -0.08 0.00 -2.39 0.00 0.00 0.00 176.54 174.54 3a9x n HIS 246 N -5.36 0.00 1.00 5.60 1.44 -0.93 -1.52 115.22 115.44 3a9x n HIS 246 Ca 0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.86 3a9x n HIS 246 Cb 0.32 -0.11 0.25 0.00 0.12 0.00 0.00 29.99 30.57 3a9x n HIS 246 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3a9x n LYS 247 N -1.11 0.00 -2.53 -1.40 4.76 -0.94 -2.12 118.16 114.82 3a9x n LYS 247 Ca 0.10 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 3a9x n LYS 247 Cb 0.08 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.79 3a9x n LYS 247 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 3a9x n PHE 248 N -1.51 2.12 -1.73 2.13 1.16 -0.58 -4.85 117.46 114.20 3a9x n PHE 248 Ca 0.05 -2.65 -0.20 0.00 -1.87 0.00 0.00 57.45 52.79 3a9x n PHE 248 Cb 0.34 -0.26 -0.07 0.00 -1.61 0.00 0.00 39.48 37.88 3a9x n PHE 248 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3a9x n TYR 249 N -0.41 -0.17 -3.55 2.97 4.01 -1.24 -4.85 117.16 113.91 3a9x n TYR 249 Ca 0.24 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.74 3a9x n TYR 249 Cb 0.80 -3.44 0.02 0.00 -0.31 0.00 0.00 39.34 36.41 3a9x n TYR 249 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3a9x s GLY 250 N -2.66 2.12 0.99 2.72 0.00 -0.75 -2.01 107.32 107.73 3a9x s GLY 250 Ca 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 44.72 42.99 3a9x s GLY 250 CO 0.00 -1.84 1.09 -4.14 0.00 0.00 0.00 173.10 168.21 3a9x s PRO 251 N -4.43 0.47 0.00 2.90 0.02 -1.26 -3.42 135.00 129.28 3a9x s PRO 251 Ca 0.45 0.60 0.00 0.00 0.02 0.00 0.00 61.00 62.07 3a9x s PRO 251 Cb -0.04 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.75 3a9x s PRO 251 CO 0.28 -2.73 1.24 0.54 -0.33 0.00 0.00 177.00 176.01 3a9x n ARG 252 N -4.18 0.65 -3.71 5.54 5.12 -1.26 -2.19 116.66 116.62 3a9x n ARG 252 Ca 0.05 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.77 3a9x n ARG 252 Cb 0.57 -1.17 -0.05 0.00 -1.16 0.00 0.00 32.46 30.65 3a9x n ARG 252 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3a9x n ILE 253 N 1.58 0.00 -2.43 0.55 -5.35 -1.26 -4.57 119.36 107.88 3a9x n ILE 253 Ca 0.00 -1.59 0.00 0.00 -0.27 0.00 0.00 62.75 60.89 3a9x n ILE 253 Cb 0.33 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 3a9x n ILE 253 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a9x n GLY 254 N 0.73 3.09 3.78 3.28 0.00 -0.82 -1.37 105.19 113.88 3a9x n GLY 254 Ca -0.10 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 3a9x n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a9x s ALA 255 N -1.16 -0.58 -0.09 4.61 0.00 -0.63 -1.01 121.76 122.89 3a9x s ALA 255 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 3a9x s ALA 255 Cb 0.00 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.86 3a9x s ALA 255 CO 0.00 -0.97 0.20 -1.17 0.00 0.00 0.00 175.76 173.83 3a9x s LEU 256 N -3.10 0.29 0.03 0.00 2.96 0.15 -1.91 118.68 117.11 3a9x s LEU 256 Ca 0.17 0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 54.28 3a9x s LEU 256 Cb -0.05 0.53 -0.06 0.00 0.50 0.00 0.00 46.19 47.12 3a9x s LEU 256 CO 0.13 -0.19 0.69 -0.47 -1.32 0.00 0.00 176.35 175.19 3a9x s TYR 257 N 1.62 3.72 -0.16 5.38 5.04 0.10 -1.46 117.35 131.60 3a9x s TYR 257 Ca -0.05 1.37 -0.03 0.00 -2.44 0.00 0.00 57.07 55.91 3a9x s TYR 257 Cb -0.11 -2.73 0.05 0.00 0.35 0.00 0.00 41.96 39.52 3a9x s TYR 257 CO -0.07 0.32 0.06 0.08 -1.34 0.00 0.00 175.55 174.59 3a9x s VAL 258 N -0.17 0.21 0.09 3.14 1.01 -0.58 -1.56 120.40 122.54 3a9x s VAL 258 Ca 0.35 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 3a9x s VAL 258 Cb -0.20 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.38 3a9x s VAL 258 CO 0.21 -0.15 1.82 -0.60 0.00 0.00 0.00 175.10 176.38 3a9x s ARG 259 N 2.01 4.15 -1.34 2.72 3.52 -0.45 -2.80 118.95 126.76 3a9x s ARG 259 Ca 0.01 2.54 -0.16 0.00 -0.13 0.00 0.00 55.73 58.00 3a9x s ARG 259 Cb -0.16 -3.71 0.02 0.00 -1.56 0.00 0.00 34.95 29.54 3a9x s ARG 259 CO -0.08 -0.85 0.44 0.41 -0.81 0.00 0.00 175.30 174.42 3a9x n GLY 260 N 4.25 -0.52 3.74 8.12 0.00 -1.26 -2.87 105.19 116.65 3a9x n GLY 260 Ca 0.18 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 3a9x n GLY 260 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3a9x n VAL 261 N -4.67 1.28 -0.08 1.61 3.14 -1.12 0.49 118.33 118.97 3a9x n VAL 261 Ca -0.21 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 3a9x n VAL 261 Cb 0.63 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 3a9x n VAL 261 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3a9x n GLY 262 N 1.72 2.50 1.40 7.55 0.00 -0.77 -4.73 105.19 112.87 3a9x n GLY 262 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3a9x n GLY 262 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a9x n LYS 263 N -2.00 0.00 -0.02 1.61 4.81 -0.24 -4.92 118.16 117.40 3a9x n LYS 263 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3a9x n LYS 263 Cb 0.00 -0.30 -0.07 0.00 0.02 0.00 0.00 35.03 34.68 3a9x n LYS 263 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3a9x n LEU 264 N -2.91 0.00 -4.01 3.14 4.77 0.18 -5.02 117.00 113.15 3a9x n LEU 264 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 3a9x n LEU 264 Cb 0.26 0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.27 3a9x n LEU 264 CO 0.00 0.08 -0.45 -0.89 -1.33 0.00 0.00 177.39 174.80 3a9x s THR 265 N -2.46 0.88 0.37 -5.08 2.01 -0.77 -5.01 115.64 105.58 3a9x s THR 265 Ca -0.04 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 3a9x s THR 265 Cb 0.04 -0.79 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 3a9x s THR 265 CO 0.36 0.28 0.69 -2.16 -0.69 0.00 0.00 174.62 173.10 3a9x s PRO 266 N 0.31 3.69 -0.16 4.92 0.04 -1.26 -1.84 135.00 140.69 3a9x s PRO 266 Ca -0.06 0.25 -0.05 0.00 0.04 0.00 0.00 61.00 61.19 3a9x s PRO 266 Cb -0.11 -2.48 0.06 0.00 0.04 0.00 0.00 34.50 32.01 3a9x s PRO 266 CO 0.01 0.03 0.08 -1.17 0.04 0.00 0.00 177.00 176.00 3a9x s LEU 267 N -3.87 0.38 -0.09 -3.56 2.96 -1.26 -4.95 118.68 108.30 3a9x s LEU 267 Ca 0.48 -0.58 -0.15 0.00 -0.22 0.00 0.00 54.13 53.65 3a9x s LEU 267 Cb -0.10 -0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 3a9x s LEU 267 CO 0.33 -0.34 0.38 -0.31 -1.32 0.00 0.00 176.35 175.09 3a9x s TYR 268 N 2.12 3.58 0.72 5.38 2.02 -1.26 -4.94 117.35 124.98 3a9x s TYR 268 Ca 0.02 0.83 -0.11 0.00 -0.37 0.00 0.00 57.07 57.44 3a9x s TYR 268 Cb -0.16 -2.36 0.03 0.00 -0.40 0.00 0.00 41.96 39.06 3a9x s TYR 268 CO -0.09 0.40 1.07 -1.25 -1.57 0.00 0.00 175.55 174.11 3a9x s PRO 269 N -0.14 2.68 -0.11 -1.71 0.04 -1.26 -4.35 135.00 130.15 3a9x s PRO 269 Ca 0.22 1.05 0.19 0.00 0.04 0.00 0.00 61.00 62.50 3a9x s PRO 269 Cb -0.15 -1.95 -0.28 0.00 0.04 0.00 0.00 34.50 32.15 3a9x s PRO 269 CO 0.09 -1.30 0.27 -1.33 0.04 0.00 0.00 177.00 174.77 3a9x n MET 270 N -3.25 0.74 -4.65 4.56 2.81 -1.26 -4.93 117.12 111.13 3a9x n MET 270 Ca 0.08 -0.10 -0.32 0.00 -1.81 0.00 0.00 57.70 55.55 3a9x n MET 270 Cb 0.53 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.43 3a9x n MET 270 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3a9x s LEU 271 N -4.91 2.81 -0.04 4.03 1.43 -1.26 -5.13 118.68 115.61 3a9x s LEU 271 Ca -0.09 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3a9x s LEU 271 Cb 0.10 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 3a9x s LEU 271 CO 0.83 0.28 -0.20 -0.36 0.23 0.00 0.00 176.35 177.13 3a9x s PHE 272 N -0.91 1.90 -0.12 0.29 0.08 -1.26 -4.50 117.98 113.46 3a9x s PHE 272 Ca 0.15 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.69 3a9x s PHE 272 Cb -0.11 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 3a9x s PHE 272 CO 0.05 -0.14 0.00 0.41 -0.10 0.00 0.00 175.22 175.44 3a9x n GLY 273 N 2.95 -0.94 0.12 4.36 0.00 -1.26 -4.99 105.19 105.44 3a9x n GLY 273 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3a9x n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a9x n GLY 274 N 0.00 0.00 2.18 -0.02 0.00 -1.26 -4.81 105.19 101.27 3a9x n GLY 274 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a9x n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a9x n GLY 275 N -0.22 1.69 3.74 -0.02 0.00 -1.26 -4.88 105.19 104.24 3a9x n GLY 275 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3a9x n GLY 275 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a9x s GLN 276 N -0.27 2.30 -1.46 1.61 1.11 -1.26 -2.66 119.66 119.03 3a9x s GLN 276 Ca 0.00 1.56 -0.10 0.00 0.01 0.00 0.00 55.36 56.84 3a9x s GLN 276 Cb 0.00 -1.87 0.06 0.00 -1.01 0.00 0.00 33.01 30.18 3a9x s GLN 276 CO 0.00 -1.67 0.94 0.39 0.01 0.00 0.00 175.29 174.95 3a9x n GLU 277 N -2.79 -5.66 -2.48 2.91 -0.58 -1.26 -1.14 120.64 109.65 3a9x n GLU 277 Ca 0.12 0.63 -0.13 0.00 -0.42 0.00 0.00 57.16 57.35 3a9x n GLU 277 Cb 0.51 -5.46 -0.01 0.00 -0.57 0.00 0.00 31.44 25.92 3a9x n GLU 277 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3a9x n ARG 278 N -4.61 -2.27 -0.79 3.49 1.74 -1.16 -0.31 116.66 112.74 3a9x n ARG 278 Ca -0.05 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 3a9x n ARG 278 Cb 0.57 -5.24 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 3a9x n ARG 278 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a9x n ASN 279 N -1.85 -0.89 0.15 0.55 3.02 -0.29 -4.82 115.26 111.13 3a9x n ASN 279 Ca -0.15 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.41 3a9x n ASN 279 Cb 0.61 -1.43 0.19 0.00 -0.61 0.00 0.00 39.78 38.55 3a9x n ASN 279 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3a9x h PHE 280 N 0.00 0.00 -1.36 3.10 0.04 -0.80 -3.41 116.94 114.51 3a9x h PHE 280 Ca 0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 3a9x h PHE 280 Cb 0.10 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 38.02 3a9x h PHE 280 CO 0.06 0.57 -0.58 0.50 -0.60 0.00 0.00 178.31 178.26 3a9x s ARG 281 N -3.53 0.91 0.89 1.51 3.00 -1.23 -4.50 118.95 115.99 3a9x s ARG 281 Ca -0.01 -0.96 -0.11 0.00 -1.00 0.00 0.00 55.73 53.65 3a9x s ARG 281 Cb 0.12 -0.32 0.12 0.00 0.00 0.00 0.00 34.95 34.87 3a9x s ARG 281 CO 0.74 -1.28 1.09 -1.25 0.00 0.00 0.00 175.30 174.61 3a9x s PRO 282 N 1.12 1.34 0.00 5.12 0.04 -1.21 -4.02 135.00 137.38 3a9x s PRO 282 Ca 0.24 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.16 3a9x s PRO 282 Cb -0.03 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3a9x s PRO 282 CO -0.07 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.18 3a9x n GLY 283 N -1.07 3.42 3.55 0.56 0.00 -1.26 -4.90 105.19 105.48 3a9x n GLY 283 Ca 0.07 -1.47 -0.56 0.00 0.00 0.00 0.00 46.02 44.06 3a9x n GLY 283 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a9x n THR 284 N 0.34 0.01 -2.09 2.61 -1.04 -1.26 -4.74 114.28 108.11 3a9x n THR 284 Ca 0.00 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3a9x n THR 284 Cb 0.00 -0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 68.09 3a9x n THR 284 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3a9x s GLU 285 N 0.40 4.32 -1.25 -2.82 8.01 -1.26 -4.93 118.70 121.16 3a9x s GLU 285 Ca 0.89 2.22 -0.14 0.00 0.01 0.00 0.00 54.97 57.95 3a9x s GLU 285 Cb -1.14 -3.12 0.14 0.00 -4.31 0.00 0.00 34.13 25.71 3a9x s GLU 285 CO 0.54 -0.32 1.61 -1.71 0.01 0.00 0.00 175.26 175.38 3a9x n ASN 286 N 2.03 5.08 -0.20 -0.19 2.85 -1.26 -4.87 115.26 118.70 3a9x n ASN 286 Ca 0.05 -2.98 -0.03 0.00 -0.11 0.00 0.00 54.58 51.51 3a9x n ASN 286 Cb 0.41 -1.60 0.04 0.00 1.24 0.00 0.00 39.78 39.88 3a9x n ASN 286 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3a9x h THR 287 N 4.65 0.27 -0.73 -0.44 2.02 -1.91 -0.57 112.91 116.19 3a9x h THR 287 Ca 0.37 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.58 3a9x h THR 287 Cb 0.82 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 3a9x h THR 287 CO 1.38 0.00 0.46 -0.65 0.37 0.00 0.00 175.52 177.08 3a9x h PRO 288 N -0.08 0.86 -0.61 6.66 0.11 -1.87 0.20 132.00 137.27 3a9x h PRO 288 Ca 0.27 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 3a9x h PRO 288 Cb 0.51 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 3a9x h PRO 288 CO -0.66 0.57 0.22 0.52 -0.21 0.00 0.00 178.00 178.44 3a9x h MET 289 N 0.88 0.90 -0.26 1.05 2.86 -1.65 -1.48 114.93 117.24 3a9x h MET 289 Ca 0.30 -0.15 -0.15 0.00 -2.06 0.00 0.00 59.70 57.64 3a9x h MET 289 Cb 0.05 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3a9x h MET 289 CO -0.12 0.75 -0.44 0.82 1.06 0.00 0.00 176.91 178.98 3a9x h ILE 290 N 0.88 1.30 -0.55 -1.22 2.04 0.11 0.07 117.51 120.13 3a9x h ILE 290 Ca 0.20 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 3a9x h ILE 290 Cb 0.20 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3a9x h ILE 290 CO -0.02 0.52 0.32 0.00 0.00 0.00 0.00 178.15 178.97 3a9x h ALA 291 N 0.98 0.71 -0.25 1.87 0.00 -0.29 0.58 119.26 122.87 3a9x h ALA 291 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a9x h ALA 291 Cb 0.98 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3a9x h ALA 291 CO 0.09 0.21 0.13 0.78 0.00 0.00 0.00 179.25 180.46 3a9x h GLY 292 N 0.74 0.38 0.74 0.00 0.00 -0.94 -1.85 103.07 102.15 3a9x h GLY 292 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3a9x h GLY 292 CO -0.03 0.18 0.15 -2.00 0.00 0.00 0.00 176.54 174.83 3a9x h LEU 293 N 0.28 0.19 -0.56 3.11 5.85 -0.61 -2.05 115.31 121.52 3a9x h LEU 293 Ca 0.09 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a9x h LEU 293 Cb 0.10 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3a9x h LEU 293 CO -0.01 0.15 0.34 1.23 -0.34 0.00 0.00 178.44 179.81 3a9x h GLY 294 N 0.32 0.81 0.95 3.75 0.00 -0.69 -2.13 103.07 106.09 3a9x h GLY 294 Ca 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3a9x h GLY 294 CO -0.14 0.33 0.14 1.70 0.00 0.00 0.00 176.54 178.56 3a9x h LYS 295 N 0.76 0.35 -0.93 4.80 1.63 -1.25 -0.18 116.57 121.75 3a9x h LYS 295 Ca 0.20 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 3a9x h LYS 295 Cb -0.02 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.48 3a9x h LYS 295 CO -0.04 0.32 0.60 0.00 -3.45 0.00 0.00 179.45 176.88 3a9x h ALA 296 N 1.01 1.49 -0.33 5.00 0.00 -1.15 -1.44 119.26 123.83 3a9x h ALA 296 Ca 0.09 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3a9x h ALA 296 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3a9x h ALA 296 CO -0.01 0.38 -0.43 0.00 0.00 0.00 0.00 179.25 179.18 3a9x h ALA 297 N 1.50 0.60 -0.72 0.00 0.00 -1.05 -2.11 119.26 117.47 3a9x h ALA 297 Ca 0.40 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3a9x h ALA 297 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3a9x h ALA 297 CO -0.15 0.68 0.47 -0.44 0.00 0.00 0.00 179.25 179.80 3a9x h ASP 298 N 0.68 0.80 -0.88 0.00 3.32 -0.08 0.92 116.42 121.18 3a9x h ASP 298 Ca 0.05 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3a9x h ASP 298 Cb 1.01 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 3a9x h ASP 298 CO 0.10 0.57 0.48 -0.07 -1.72 0.00 0.00 179.24 178.60 3a9x h LEU 299 N 0.94 1.10 -0.30 1.55 3.38 -1.05 0.15 115.31 121.08 3a9x h LEU 299 Ca 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3a9x h LEU 299 Cb -0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3a9x h LEU 299 CO -0.08 0.88 0.15 0.58 0.09 0.00 0.00 178.44 180.06 3a9x h VAL 300 N 1.23 1.15 -0.39 1.22 2.07 -0.73 0.44 116.25 121.23 3a9x h VAL 300 Ca 0.31 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3a9x h VAL 300 Cb 0.03 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3a9x h VAL 300 CO -0.05 0.15 0.23 0.28 0.02 0.00 0.00 177.57 178.21 3a9x h SER 301 N 0.36 0.38 0.03 0.57 0.02 -0.26 0.14 113.55 114.79 3a9x h SER 301 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3a9x h SER 301 Cb 0.11 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3a9x h SER 301 CO -0.01 0.27 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.61 3a9x h GLU 302 N 0.47 -0.04 -0.29 3.45 5.08 -0.56 -3.39 114.58 119.30 3a9x h GLU 302 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3a9x h GLU 302 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3a9x h GLU 302 CO -0.07 0.35 0.00 0.09 -1.00 0.00 0.00 179.01 178.38 3a9x n ASN 303 N -4.92 3.03 -0.22 1.42 5.03 0.15 -4.79 115.26 114.95 3a9x n ASN 303 Ca -0.08 -2.23 0.03 0.00 0.87 0.00 0.00 54.58 53.17 3a9x n ASN 303 Cb 0.21 -0.28 0.14 0.00 -1.02 0.00 0.00 39.78 38.83 3a9x n ASN 303 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a9x h GLU 305 N 0.26 0.00 -0.03 0.00 5.08 -1.86 0.13 114.58 118.16 3a9x h GLU 305 Ca 0.36 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 3a9x h GLU 305 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3a9x h GLU 305 CO -0.46 0.19 -0.22 1.15 -1.00 0.00 0.00 179.01 178.68 3a9x h THR 306 N 0.00 1.50 -0.26 1.13 2.02 -1.56 -1.09 112.91 114.65 3a9x h THR 306 Ca -0.00 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.40 3a9x h THR 306 Cb 0.37 2.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 3a9x h THR 306 CO 0.02 0.49 0.14 1.88 0.37 0.00 0.00 175.52 178.42 3a9x h TYR 307 N -0.41 0.36 -0.46 3.16 0.05 -0.77 -1.86 116.97 117.03 3a9x h TYR 307 Ca -0.02 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.81 3a9x h TYR 307 Cb 0.91 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.49 3a9x h TYR 307 CO 0.16 0.31 0.17 1.49 -1.05 0.00 0.00 178.16 179.24 3a9x h GLU 308 N 0.30 0.34 -0.43 4.88 4.81 -0.74 -0.03 114.58 123.70 3a9x h GLU 308 Ca 0.09 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3a9x h GLU 308 Cb 0.07 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3a9x h GLU 308 CO -0.01 0.23 0.15 0.00 -0.73 0.00 0.00 179.01 178.65 3a9x h ALA 309 N 1.30 0.57 -0.38 2.92 0.00 -1.07 -0.55 119.26 122.05 3a9x h ALA 309 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3a9x h ALA 309 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3a9x h ALA 309 CO -0.21 0.20 0.17 1.25 0.00 0.00 0.00 179.25 180.65 3a9x h HIS 310 N 0.56 0.56 -0.25 0.00 -0.00 -1.09 -0.25 115.15 114.67 3a9x h HIS 310 Ca 0.14 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 3a9x h HIS 310 Cb 0.23 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3a9x h HIS 310 CO 0.01 0.49 0.08 0.52 -0.00 0.00 0.00 177.93 179.03 3a9x h MET 311 N 0.46 0.19 -0.60 5.26 2.07 -0.77 -0.90 114.93 120.64 3a9x h MET 311 Ca 0.13 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.74 3a9x h MET 311 Cb 0.15 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 3a9x h MET 311 CO -0.01 0.13 0.35 -0.09 1.07 0.00 0.00 176.91 178.36 3a9x h ARG 312 N 0.20 0.82 -0.10 1.72 2.43 -0.74 0.15 114.38 118.85 3a9x h ARG 312 Ca 0.11 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3a9x h ARG 312 Cb 0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3a9x h ARG 312 CO -0.12 0.60 0.02 -0.44 -1.51 0.00 0.00 179.97 178.52 3a9x h ASP 313 N 0.81 0.00 -0.40 -3.80 3.32 -0.73 -0.85 116.42 114.79 3a9x h ASP 313 Ca 0.21 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3a9x h ASP 313 Cb 0.00 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3a9x h ASP 313 CO -0.04 0.02 0.07 0.40 -1.72 0.00 0.00 179.24 177.97 3a9x h ILE 314 N 0.06 1.24 -0.49 0.35 1.08 -0.98 -2.17 117.51 116.60 3a9x h ILE 314 Ca 0.04 -0.84 -0.02 0.00 -0.39 0.00 0.00 64.86 63.65 3a9x h ILE 314 Cb 0.04 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3a9x h ILE 314 CO -0.06 0.29 0.23 -0.09 -0.69 0.00 0.00 178.15 177.83 3a9x h ARG 315 N 0.50 0.72 -0.09 2.37 1.12 -0.60 0.97 114.38 119.37 3a9x h ARG 315 Ca 0.12 -0.11 -0.07 0.00 -1.11 0.00 0.00 59.98 58.81 3a9x h ARG 315 Cb 0.35 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.18 3a9x h ARG 315 CO 0.01 0.61 -0.27 -0.44 -3.11 0.00 0.00 179.97 176.77 3a9x h ASP 316 N 0.65 0.16 -0.33 -3.80 3.32 -1.11 -0.32 116.42 114.99 3a9x h ASP 316 Ca 0.17 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3a9x h ASP 316 Cb 0.14 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3a9x h ASP 316 CO -0.02 0.43 -0.31 0.22 -1.72 0.00 0.00 179.24 177.84 3a9x h TYR 317 N 0.15 0.95 -0.30 4.55 3.20 -1.09 -1.80 116.97 122.63 3a9x h TYR 317 Ca 0.02 -0.28 0.01 0.00 3.14 0.00 0.00 58.73 61.62 3a9x h TYR 317 Cb 0.56 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3a9x h TYR 317 CO 0.01 1.06 0.19 1.25 -1.64 0.00 0.00 178.16 179.03 3a9x h LEU 318 N 0.58 0.33 -1.51 2.82 5.85 -0.18 -0.90 115.31 122.29 3a9x h LEU 318 Ca 0.06 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3a9x h LEU 318 Cb 0.89 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3a9x h LEU 318 CO 0.08 0.24 0.05 -0.33 -0.34 0.00 0.00 178.44 178.14 3a9x h GLU 319 N 0.39 0.37 -0.24 1.25 5.08 -0.93 -1.03 114.58 119.48 3a9x h GLU 319 Ca 0.11 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 3a9x h GLU 319 Cb -0.03 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3a9x h GLU 319 CO -0.03 0.36 -0.57 0.93 -1.00 0.00 0.00 179.01 178.69 3a9x h GLU 320 N 0.37 0.75 -0.29 2.33 4.39 -0.54 -1.87 114.58 119.72 3a9x h GLU 320 Ca 0.09 -0.49 -0.15 0.00 0.34 0.00 0.00 59.36 59.16 3a9x h GLU 320 Cb 0.16 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3a9x h GLU 320 CO -0.00 1.11 -0.41 0.00 -1.16 0.00 0.00 179.01 178.55 3a9x h ARG 321 N 0.57 0.70 -0.51 2.33 2.47 -0.75 -1.38 114.38 117.81 3a9x h ARG 321 Ca 0.01 -0.37 -0.02 0.00 -1.26 0.00 0.00 59.98 58.34 3a9x h ARG 321 Cb 1.16 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 3a9x h ARG 321 CO 0.12 0.98 0.25 -0.07 0.56 0.00 0.00 179.97 181.82 3a9x h LEU 322 N 0.57 0.66 -0.79 3.04 3.38 -1.16 0.12 115.31 121.13 3a9x h LEU 322 Ca 0.04 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3a9x h LEU 322 Cb 0.95 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3a9x h LEU 322 CO 0.09 0.59 -0.12 -0.33 0.09 0.00 0.00 178.44 178.76 3a9x h GLU 323 N 0.68 0.78 0.00 1.13 5.08 -1.18 0.50 114.58 121.57 3a9x h GLU 323 Ca 0.18 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3a9x h GLU 323 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3a9x h GLU 323 CO -0.02 0.87 -0.46 0.00 -1.00 0.00 0.00 179.01 178.39 3a9x h ALA 324 N 1.16 0.99 0.00 3.43 0.00 -0.93 0.17 119.26 124.08 3a9x h ALA 324 Ca 0.12 -0.42 -0.25 0.00 0.00 0.00 0.00 54.91 54.36 3a9x h ALA 324 Cb 0.61 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3a9x h ALA 324 CO 0.04 0.58 -1.57 1.49 0.00 0.00 0.00 179.25 179.79 3a9x h GLU 325 N 0.00 0.00 -0.00 0.00 4.57 -0.48 -3.41 114.58 115.26 3a9x h GLU 325 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3a9x h GLU 325 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3a9x h GLU 325 CO 0.06 0.46 -0.08 1.19 -1.18 0.00 0.00 179.01 179.46 3a9x n PHE 326 N -3.02 0.00 -1.20 0.92 3.72 0.14 -5.08 117.46 112.94 3a9x n PHE 326 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3a9x n PHE 326 Cb 0.98 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 3a9x n PHE 326 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a9x n GLY 327 N 0.76 2.81 0.00 1.37 0.00 0.60 -0.65 105.19 110.09 3a9x n GLY 327 Ca 0.01 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3a9x n GLY 327 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a9x n LYS 328 N 14.00 0.24 0.12 1.61 5.02 -1.26 -2.61 118.16 135.28 3a9x n LYS 328 Ca 0.00 0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.50 3a9x n LYS 328 Cb 0.00 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 33.98 3a9x n LYS 328 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3a9x n ARG 329 N -1.34 0.21 -4.60 1.97 0.63 0.18 -4.78 116.66 108.93 3a9x n ARG 329 Ca 0.09 0.36 -0.33 0.00 -0.92 0.00 0.00 57.85 57.05 3a9x n ARG 329 Cb 0.20 -1.84 -0.11 0.00 0.45 0.00 0.00 32.46 31.15 3a9x n ARG 329 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3a9x s ILE 330 N -3.25 3.50 -0.12 5.15 2.07 -1.07 -0.68 121.20 126.81 3a9x s ILE 330 Ca 0.06 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.61 3a9x s ILE 330 Cb 0.10 -2.47 -0.01 0.00 0.13 0.00 0.00 42.46 40.21 3a9x s ILE 330 CO 0.45 0.49 -0.15 -1.00 -1.91 0.00 0.00 174.94 172.82 3a9x s HIS 331 N -0.89 2.76 -0.73 3.50 3.76 0.01 -4.98 115.29 118.72 3a9x s HIS 331 Ca 0.14 -0.69 -0.15 0.00 -0.15 0.00 0.00 55.06 54.21 3a9x s HIS 331 Cb -0.11 -1.81 0.18 0.00 1.11 0.00 0.00 32.58 31.96 3a9x s HIS 331 CO 0.04 -0.23 0.69 -0.51 -0.85 0.00 0.00 174.74 173.88 3a9x s LEU 332 N 0.29 6.49 0.00 0.89 1.43 -1.26 -1.54 118.68 124.97 3a9x s LEU 332 Ca -0.11 -2.35 0.08 0.00 -1.03 0.00 0.00 54.13 50.72 3a9x s LEU 332 Cb -0.16 -2.22 0.36 0.00 0.03 0.00 0.00 46.19 44.20 3a9x s LEU 332 CO 0.06 -0.69 1.27 0.59 0.23 0.00 0.00 176.35 177.80 3a9x n ASN 333 N 4.52 0.00 -0.76 2.29 3.02 -0.25 -2.53 115.26 121.55 3a9x n ASN 333 Ca 0.05 0.50 0.09 0.00 -0.03 0.00 0.00 54.58 55.18 3a9x n ASN 333 Cb 0.45 -0.50 0.10 0.00 -0.61 0.00 0.00 39.78 39.22 3a9x n ASN 333 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3a9x n SER 334 N -1.50 2.63 -4.07 6.41 7.64 -1.19 -4.88 113.62 118.65 3a9x n SER 334 Ca 0.02 -1.78 -0.32 0.00 1.01 0.00 0.00 58.87 57.80 3a9x n SER 334 Cb 0.10 -0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.10 3a9x n SER 334 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3a9x s ARG 335 N -1.42 2.11 0.20 1.43 3.52 -1.05 -4.84 118.95 118.91 3a9x s ARG 335 Ca 0.23 -1.45 0.09 0.00 -0.13 0.00 0.00 55.73 54.47 3a9x s ARG 335 Cb 0.15 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 3a9x s ARG 335 CO 0.23 -0.66 -0.17 -0.06 -0.81 0.00 0.00 175.30 173.83 3a9x s PHE 336 N 1.08 1.84 0.06 5.12 0.40 -1.26 -4.92 117.98 120.30 3a9x s PHE 336 Ca -0.04 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.49 3a9x s PHE 336 Cb -0.20 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 3a9x s PHE 336 CO -0.05 0.40 1.03 -2.14 0.70 0.00 0.00 175.22 175.16 3a9x s PRO 337 N -3.32 4.58 0.00 0.24 0.02 -1.26 -3.17 135.00 132.08 3a9x s PRO 337 Ca 0.21 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.76 3a9x s PRO 337 Cb -0.03 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3a9x s PRO 337 CO 0.08 -0.00 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 3a9x n GLY 338 N 2.67 0.69 3.50 0.52 0.00 -1.26 -4.98 105.19 106.32 3a9x n GLY 338 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3a9x n GLY 338 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a9x s VAL 339 N -2.91 5.20 0.45 1.61 1.01 -1.19 -5.06 120.40 119.52 3a9x s VAL 339 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 3a9x s VAL 339 Cb 0.00 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 3a9x s VAL 339 CO 0.00 -0.10 1.29 -1.61 0.00 0.00 0.00 175.10 174.68 3a9x s GLU 340 N 1.70 3.72 0.04 2.72 2.02 -1.26 -4.72 118.70 122.91 3a9x s GLU 340 Ca 0.05 2.10 -0.11 0.00 0.02 0.00 0.00 54.97 57.04 3a9x s GLU 340 Cb -0.18 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.50 3a9x s GLU 340 CO 0.10 -0.68 0.22 -0.98 0.02 0.00 0.00 175.26 173.94 3a9x s ARG 341 N -2.51 0.71 0.51 1.61 1.70 -1.26 -1.10 118.95 118.61 3a9x s ARG 341 Ca 0.62 -0.57 -0.20 0.00 -0.47 0.00 0.00 55.73 55.11 3a9x s ARG 341 Cb -0.37 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.22 3a9x s ARG 341 CO 0.46 -0.21 0.75 1.28 -1.08 0.00 0.00 175.30 176.50 3a9x n LEU 342 N 0.73 1.75 0.00 -1.89 4.77 0.70 -4.86 117.00 118.20 3a9x n LEU 342 Ca -0.19 0.86 0.13 0.00 -0.03 0.00 0.00 56.01 56.78 3a9x n LEU 342 Cb 0.59 -1.26 0.64 0.00 -2.33 0.00 0.00 43.42 41.06 3a9x n LEU 342 CO 0.22 -2.36 0.94 -0.81 -1.33 0.00 0.00 177.39 174.05 3a9x n PRO 343 N -0.10 0.27 0.00 3.23 -0.04 -1.26 -3.71 135.00 133.40 3a9x n PRO 343 Ca 0.11 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.66 3a9x n PRO 343 Cb 0.44 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.44 3a9x n PRO 343 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3a9x n ASN 344 N -1.35 1.75 -4.60 3.54 6.94 -1.26 -2.42 115.26 117.86 3a9x n ASN 344 Ca 0.11 -1.38 -0.34 0.00 -0.02 0.00 0.00 54.58 52.95 3a9x n ASN 344 Cb 0.24 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.55 3a9x n ASN 344 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3a9x s THR 345 N -0.75 4.46 -0.30 5.53 2.01 -1.24 -1.18 115.64 124.16 3a9x s THR 345 Ca 0.11 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 3a9x s THR 345 Cb 0.08 -2.97 0.10 0.00 0.01 0.00 0.00 72.50 69.71 3a9x s THR 345 CO 0.11 0.50 0.09 0.00 -0.69 0.00 0.00 174.62 174.63 3a9x s ASN 347 N 1.68 6.50 0.05 0.00 3.84 -1.26 -1.12 114.94 124.63 3a9x s ASN 347 Ca 0.09 0.59 -0.03 0.00 0.21 0.00 0.00 52.86 53.72 3a9x s ASN 347 Cb -0.17 -2.21 -0.02 0.00 -0.55 0.00 0.00 41.25 38.29 3a9x s ASN 347 CO -0.25 0.06 0.03 0.72 -2.79 0.00 0.00 177.10 174.87 3a9x s PHE 348 N 0.56 0.34 -0.03 0.43 -0.12 0.08 -1.09 117.98 118.15 3a9x s PHE 348 Ca 0.19 -0.76 0.02 0.00 -0.05 0.00 0.00 56.93 56.33 3a9x s PHE 348 Cb -0.14 -0.25 0.01 0.00 -0.63 0.00 0.00 43.02 42.02 3a9x s PHE 348 CO 0.06 -0.36 -0.06 -1.12 -0.05 0.00 0.00 175.22 173.69 3a9x s SER 349 N -2.44 0.89 -0.23 1.98 0.01 -0.59 -0.24 113.70 113.08 3a9x s SER 349 Ca -0.00 -0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.06 3a9x s SER 349 Cb 0.02 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 3a9x s SER 349 CO -0.07 0.00 0.06 -0.63 0.41 0.00 0.00 173.24 173.01 3a9x s ILE 350 N 0.48 4.38 0.38 1.44 1.01 -1.26 -0.81 121.20 126.82 3a9x s ILE 350 Ca -0.06 -0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.15 3a9x s ILE 350 Cb -0.10 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 3a9x s ILE 350 CO 0.00 0.38 1.45 0.00 0.00 0.00 0.00 174.94 176.77 3a9x s GLN 351 N 1.23 4.09 0.00 2.79 -2.07 0.15 -4.79 119.66 121.06 3a9x s GLN 351 Ca 0.04 2.50 0.00 0.00 -1.82 0.00 0.00 55.36 56.08 3a9x s GLN 351 Cb -0.14 -2.94 0.00 0.00 -1.09 0.00 0.00 33.01 28.84 3a9x s GLN 351 CO 0.03 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 173.89 3a9x n GLY 352 N 0.52 3.76 0.22 2.60 0.00 -1.26 -4.92 105.19 106.11 3a9x n GLY 352 Ca 0.01 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3a9x n GLY 352 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a9x h SER 353 N 0.00 0.00 -0.40 1.61 4.64 -1.99 -2.47 113.55 114.93 3a9x h SER 353 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a9x h SER 353 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a9x h SER 353 CO 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 3a9x n GLN 354 N -3.98 2.31 -1.53 4.77 1.13 -1.26 -4.51 117.38 114.30 3a9x n GLN 354 Ca -0.02 -1.61 -0.28 0.00 -1.94 0.00 0.00 57.00 53.15 3a9x n GLN 354 Cb 0.32 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.26 3a9x n GLN 354 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3a9x n LEU 355 N 0.65 6.38 -4.69 1.08 4.77 -0.93 -4.74 117.00 119.52 3a9x n LEU 355 Ca 0.15 -4.38 -0.40 0.00 -0.03 0.00 0.00 56.01 51.34 3a9x n LEU 355 Cb 0.47 -0.72 0.02 0.00 -2.33 0.00 0.00 43.42 40.86 3a9x n LEU 355 CO 0.12 1.66 0.85 0.54 -1.33 0.00 0.00 177.39 179.23 3a9x n ARG 356 N -0.87 1.76 -0.15 3.23 5.12 -1.26 -4.45 116.66 120.03 3a9x n ARG 356 Ca 0.54 0.63 -0.03 0.00 -1.93 0.00 0.00 57.85 57.06 3a9x n ARG 356 Cb 0.85 -2.37 0.06 0.00 -1.16 0.00 0.00 32.46 29.84 3a9x n ARG 356 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3a9x h GLY 357 N 1.80 0.54 2.00 -0.13 0.00 -1.53 -0.70 103.07 105.05 3a9x h GLY 357 Ca -0.48 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3a9x h GLY 357 CO 0.58 -0.10 -0.17 0.10 0.00 0.00 0.00 176.54 176.96 3a9x h TYR 358 N 0.18 0.00 -0.18 5.60 -0.00 -1.85 -1.95 116.97 118.76 3a9x h TYR 358 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.87 3a9x h TYR 358 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.07 3a9x h TYR 358 CO -0.26 0.17 -0.27 0.52 -0.00 0.00 0.00 178.16 178.32 3a9x h MET 359 N 0.00 0.51 -0.46 0.10 2.86 -1.52 -0.56 114.93 115.86 3a9x h MET 359 Ca -0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3a9x h MET 359 Cb 0.36 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3a9x h MET 359 CO 0.02 0.90 0.30 0.28 1.06 0.00 0.00 176.91 179.47 3a9x h VAL 360 N 0.16 1.12 -0.25 -2.22 2.07 -0.99 -1.87 116.25 114.26 3a9x h VAL 360 Ca 0.02 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 3a9x h VAL 360 Cb 0.85 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3a9x h VAL 360 CO 0.06 0.11 -0.31 -0.07 0.02 0.00 0.00 177.57 177.39 3a9x h LEU 361 N 0.62 0.53 -1.73 2.57 3.38 -1.36 -0.65 115.31 118.66 3a9x h LEU 361 Ca 0.17 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3a9x h LEU 361 Cb -0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3a9x h LEU 361 CO -0.04 0.81 0.20 0.00 0.09 0.00 0.00 178.44 179.51 3a9x h ALA 362 N 1.22 1.84 0.00 1.53 0.00 -0.71 -2.57 119.26 120.57 3a9x h ALA 362 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a9x h ALA 362 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3a9x h ALA 362 CO 0.06 0.13 -0.85 1.04 0.00 0.00 0.00 179.25 179.63 3a9x n GLN 363 N -4.49 0.31 -2.20 0.00 1.13 -0.52 -4.88 117.38 106.72 3a9x n GLN 363 Ca 0.02 0.04 -0.37 0.00 -1.94 0.00 0.00 57.00 54.75 3a9x n GLN 363 Cb 0.11 -1.65 -0.00 0.00 0.11 0.00 0.00 30.24 28.80 3a9x n GLN 363 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a9x n GLN 365 N -0.71 1.00 -0.02 0.00 1.13 -1.26 -4.82 117.38 112.71 3a9x n GLN 365 Ca 0.08 -0.09 -0.03 0.00 -1.94 0.00 0.00 57.00 55.02 3a9x n GLN 365 Cb 0.48 -1.29 -0.01 0.00 0.11 0.00 0.00 30.24 29.53 3a9x n GLN 365 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3a9x n THR 366 N -1.81 0.18 -2.12 5.09 -1.04 -1.26 -4.92 114.28 108.40 3a9x n THR 366 Ca -0.01 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 3a9x n THR 366 Cb 0.33 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.37 3a9x n THR 366 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3a9x s LEU 367 N -6.08 4.42 -0.22 -4.42 2.96 -1.26 -0.56 118.68 113.52 3a9x s LEU 367 Ca -0.05 2.65 0.02 0.00 -0.22 0.00 0.00 54.13 56.53 3a9x s LEU 367 Cb 0.02 -3.64 0.05 0.00 0.50 0.00 0.00 46.19 43.11 3a9x s LEU 367 CO 0.06 -0.55 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.67 3a9x s LEU 368 N -1.44 2.67 0.00 -0.68 1.43 -0.12 -4.89 118.68 115.64 3a9x s LEU 368 Ca 0.51 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3a9x s LEU 368 Cb -0.40 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3a9x s LEU 368 CO 0.50 -0.15 0.00 0.00 0.23 0.00 0.00 176.35 176.93 3a9x n ALA 369 N 4.59 0.00 -2.76 4.21 0.00 -1.26 -0.65 120.51 124.64 3a9x n ALA 369 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 3a9x n ALA 369 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 3a9x n ALA 369 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3a9x s SER 370 N 1.14 0.02 0.12 0.00 1.04 -1.19 -4.91 113.70 109.91 3a9x s SER 370 Ca 0.00 -0.89 0.10 0.00 0.48 0.00 0.00 55.95 55.63 3a9x s SER 370 Cb 0.00 0.46 -0.16 0.00 0.10 0.00 0.00 66.02 66.41 3a9x s SER 370 CO 0.00 -0.93 1.17 -0.37 0.98 0.00 0.00 173.24 174.10 3a9x h VAL 371 N 2.50 1.35 0.00 5.02 -1.51 -1.88 0.04 116.25 121.77 3a9x h VAL 371 Ca -0.31 -3.01 0.00 0.00 -1.23 0.00 0.00 66.70 62.15 3a9x h VAL 371 Cb 1.23 2.65 0.00 0.00 -2.13 0.00 0.00 31.29 33.05 3a9x h VAL 371 CO 0.47 0.77 0.00 0.61 -1.23 0.00 0.00 177.57 178.18 3a9x n GLY 372 N 1.37 3.33 3.83 5.19 0.00 -1.26 -4.05 105.19 113.59 3a9x n GLY 372 Ca -0.03 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3a9x n GLY 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a9x s ALA 373 N -1.02 3.20 0.34 4.61 0.00 -1.26 -4.91 121.76 122.72 3a9x s ALA 373 Ca 0.00 0.25 0.18 0.00 0.00 0.00 0.00 51.96 52.39 3a9x s ALA 373 Cb 0.00 -2.97 0.94 0.00 0.00 0.00 0.00 23.12 21.09 3a9x s ALA 373 CO 0.00 0.23 1.88 0.77 0.00 0.00 0.00 175.76 178.65 3a9x h SER 374 N 2.31 0.00 0.04 0.00 0.02 -1.93 -1.30 113.55 112.68 3a9x h SER 374 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3a9x h SER 374 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3a9x h SER 374 CO 0.64 0.29 0.00 0.00 -1.14 0.00 0.00 176.83 176.61 3a9x n HIS 376 N -1.03 0.50 -0.40 0.00 8.25 -0.49 -4.59 115.22 117.46 3a9x n HIS 376 Ca 0.14 -0.48 0.38 0.00 -0.26 0.00 0.00 57.72 57.50 3a9x n HIS 376 Cb 0.08 -0.02 0.75 0.00 1.12 0.00 0.00 29.99 31.91 3a9x n HIS 376 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3a9x h SER 377 N 2.29 0.04 -0.21 0.41 0.02 -1.40 -1.84 113.55 112.86 3a9x h SER 377 Ca 0.00 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3a9x h SER 377 Cb 0.75 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 3a9x h SER 377 CO 0.00 -0.00 0.03 -2.24 -1.14 0.00 0.00 176.83 173.48 3a9x h ASP 378 N 0.03 0.41 -1.93 3.07 2.03 -1.84 -3.20 116.42 114.99 3a9x h ASP 378 Ca 0.65 -0.06 -0.60 0.00 -0.73 0.00 0.00 57.03 56.29 3a9x h ASP 378 Cb 2.52 -0.11 -0.41 0.00 -0.83 0.00 0.00 39.33 40.51 3a9x h ASP 378 CO -0.04 0.45 -0.58 1.41 -1.03 0.00 0.00 179.24 179.45 3a9x n HIS 379 N -4.33 3.70 0.12 4.15 8.25 -0.69 -4.87 115.22 121.55 3a9x n HIS 379 Ca 0.01 -3.51 0.03 0.00 -0.26 0.00 0.00 57.72 54.00 3a9x n HIS 379 Cb 0.20 -0.35 0.17 0.00 1.12 0.00 0.00 29.99 31.14 3a9x n HIS 379 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3a9x n GLU 380 N -0.36 0.03 -0.13 -0.41 -0.58 -1.21 -2.43 120.64 115.55 3a9x n GLU 380 Ca 0.36 0.49 0.12 0.00 -0.42 0.00 0.00 57.16 57.70 3a9x n GLU 380 Cb 0.50 -1.60 0.21 0.00 -0.57 0.00 0.00 31.44 29.99 3a9x n GLU 380 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3a9x n ASP 381 N -1.67 3.11 -4.90 1.62 5.68 -1.26 -4.35 116.55 114.78 3a9x n ASP 381 Ca 0.00 -1.95 -0.31 0.00 -0.50 0.00 0.00 54.79 52.03 3a9x n ASP 381 Cb 0.04 -0.17 -0.05 0.00 -1.14 0.00 0.00 41.12 39.81 3a9x n ASP 381 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3a9x s ARG 382 N -1.67 3.63 0.96 0.11 0.52 -1.02 -5.05 118.95 116.43 3a9x s ARG 382 Ca 0.36 -0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.38 3a9x s ARG 382 Cb 0.22 -2.83 0.17 0.00 0.52 0.00 0.00 34.95 33.02 3a9x s ARG 382 CO 0.31 0.45 1.09 -2.14 0.02 0.00 0.00 175.30 175.03 3a9x s PRO 383 N -2.70 0.73 0.08 3.54 0.02 -1.26 -4.87 135.00 130.54 3a9x s PRO 383 Ca 0.41 1.04 -0.31 0.00 0.02 0.00 0.00 61.00 62.16 3a9x s PRO 383 Cb -0.12 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 3a9x s PRO 383 CO 0.25 -2.67 1.52 0.45 -0.33 0.00 0.00 177.00 176.22 3a9x s SER 384 N -3.01 6.71 0.29 2.53 0.15 -1.26 -4.91 113.70 114.21 3a9x s SER 384 Ca 0.65 2.38 0.01 0.00 0.70 0.00 0.00 55.95 59.70 3a9x s SER 384 Cb -0.21 -2.57 0.45 0.00 -1.71 0.00 0.00 66.02 61.98 3a9x s SER 384 CO 0.59 -0.79 1.80 -0.65 1.20 0.00 0.00 173.24 175.39 3a9x h PRO 385 N 7.67 0.64 0.37 5.44 0.11 -1.99 -1.45 132.00 142.79 3a9x h PRO 385 Ca -0.41 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.51 3a9x h PRO 385 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3a9x h PRO 385 CO 0.91 0.68 -0.18 0.28 -0.21 0.00 0.00 178.00 179.48 3a9x h VAL 386 N 0.60 0.64 -0.74 3.15 2.07 -1.90 0.14 116.25 120.21 3a9x h VAL 386 Ca 0.12 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.66 3a9x h VAL 386 Cb 0.43 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 3a9x h VAL 386 CO 0.02 0.02 0.37 -0.07 0.02 0.00 0.00 177.57 177.92 3a9x h LEU 387 N -0.55 0.47 -0.02 2.57 3.38 -1.91 -1.57 115.31 117.68 3a9x h LEU 387 Ca -0.05 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3a9x h LEU 387 Cb 0.41 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3a9x h LEU 387 CO 0.08 0.25 -0.31 -0.07 0.09 0.00 0.00 178.44 178.48 3a9x h LEU 388 N 0.60 -0.94 -2.41 1.67 3.38 -0.98 -1.24 115.31 115.40 3a9x h LEU 388 Ca 0.37 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 3a9x h LEU 388 Cb 0.43 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3a9x h LEU 388 CO -0.29 -0.37 -0.03 0.28 0.09 0.00 0.00 178.44 178.12 3a9x h SER 389 N -0.45 0.00 0.71 -0.43 0.02 0.11 0.08 113.55 113.58 3a9x h SER 389 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3a9x h SER 389 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3a9x h SER 389 CO -0.28 0.03 -0.07 0.00 -1.14 0.00 0.00 176.83 175.37 3a9x n GLY 391 N 1.40 1.21 3.73 0.00 0.00 0.01 -3.46 105.19 108.09 3a9x n GLY 391 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3a9x n GLY 391 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a9x s ILE 392 N -2.00 5.03 1.02 -0.61 1.01 -0.94 -4.90 121.20 119.81 3a9x s ILE 392 Ca 0.00 1.27 -0.14 0.00 0.00 0.00 0.00 60.65 61.78 3a9x s ILE 392 Cb 0.00 -3.96 0.09 0.00 0.01 0.00 0.00 42.46 38.61 3a9x s ILE 392 CO 0.00 0.32 0.42 -2.65 0.00 0.00 0.00 174.94 173.03 3a9x n PRO 393 N 3.40 -0.94 0.09 2.79 -0.02 -1.26 -4.41 135.00 134.66 3a9x n PRO 393 Ca -0.04 -0.24 -0.06 0.00 -2.02 0.00 0.00 63.50 61.14 3a9x n PRO 393 Cb 0.51 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 3a9x n PRO 393 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3a9x h VAL 394 N -1.87 1.59 -0.57 -1.45 3.04 -1.97 0.84 116.25 115.86 3a9x h VAL 394 Ca -0.48 -2.90 -0.07 0.00 -1.01 0.00 0.00 66.70 62.23 3a9x h VAL 394 Cb 1.31 2.59 -0.02 0.00 -2.01 0.00 0.00 31.29 33.16 3a9x h VAL 394 CO 0.38 0.83 0.07 -2.24 -1.01 0.00 0.00 177.57 175.60 3a9x h ASP 395 N 0.03 0.93 0.01 3.17 2.03 -1.99 0.23 116.42 120.82 3a9x h ASP 395 Ca -0.02 -0.27 -0.05 0.00 -0.73 0.00 0.00 57.03 55.96 3a9x h ASP 395 Cb 1.55 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 3a9x h ASP 395 CO 0.12 0.97 -0.20 0.58 -1.03 0.00 0.00 179.24 179.68 3a9x h VAL 396 N 0.86 1.59 -0.46 4.15 2.07 -1.85 -3.31 116.25 119.29 3a9x h VAL 396 Ca 0.17 -2.00 -0.04 0.00 0.82 0.00 0.00 66.70 65.65 3a9x h VAL 396 Cb 0.45 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 3a9x h VAL 396 CO 0.02 0.54 0.13 0.00 0.02 0.00 0.00 177.57 178.27 3a9x h ALA 397 N 0.21 1.36 -0.47 1.67 0.00 0.75 -2.16 119.26 120.63 3a9x h ALA 397 Ca -0.03 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.83 3a9x h ALA 397 Cb 0.99 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3a9x h ALA 397 CO 0.04 0.46 0.33 -0.09 0.00 0.00 0.00 179.25 179.99 3a9x h ARG 398 N 0.67 0.11 -0.19 0.00 2.43 -0.65 -1.14 114.38 115.60 3a9x h ARG 398 Ca 0.15 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3a9x h ARG 398 Cb 0.22 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3a9x h ARG 398 CO -0.01 0.07 0.00 0.09 -1.51 0.00 0.00 179.97 178.61 3a9x n ASN 399 N -4.43 2.86 -4.74 -3.80 4.13 -0.84 -2.10 115.26 106.35 3a9x n ASN 399 Ca 0.08 -1.91 -0.41 0.00 1.68 0.00 0.00 54.58 54.02 3a9x n ASN 399 Cb 0.47 -0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.56 3a9x n ASN 399 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a9x s ALA 400 N -1.77 3.59 -0.05 5.41 0.00 -0.43 -3.84 121.76 124.67 3a9x s ALA 400 Ca 0.34 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.59 3a9x s ALA 400 Cb 0.21 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 3a9x s ALA 400 CO 0.31 -0.66 -0.18 0.08 0.00 0.00 0.00 175.76 175.31 3a9x s VAL 401 N -0.03 1.48 -0.29 0.00 1.01 0.66 -4.32 120.40 118.91 3a9x s VAL 401 Ca 0.58 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3a9x s VAL 401 Cb -0.40 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3a9x s VAL 401 CO 0.42 0.42 0.15 -0.60 0.00 0.00 0.00 175.10 175.49 3a9x s ARG 402 N 0.05 3.55 -0.18 2.72 3.52 -0.00 -0.74 118.95 127.87 3a9x s ARG 402 Ca -0.04 -0.57 -0.06 0.00 -0.13 0.00 0.00 55.73 54.92 3a9x s ARG 402 Cb -0.12 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3a9x s ARG 402 CO 0.02 -0.31 0.03 -0.51 -0.81 0.00 0.00 175.30 173.72 3a9x s LEU 403 N 1.65 3.60 -0.13 -0.88 1.43 -0.28 -3.18 118.68 120.90 3a9x s LEU 403 Ca 0.06 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3a9x s LEU 403 Cb -0.16 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.19 3a9x s LEU 403 CO 0.07 0.15 0.01 -0.94 0.23 0.00 0.00 176.35 175.87 3a9x s SER 404 N 0.48 2.22 0.67 2.29 1.04 0.14 -0.48 113.70 120.07 3a9x s SER 404 Ca 0.01 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 3a9x s SER 404 Cb -0.13 -0.56 0.08 0.00 0.10 0.00 0.00 66.02 65.51 3a9x s SER 404 CO 0.01 -0.23 0.95 0.68 0.98 0.00 0.00 173.24 175.63 3a9x s VAL 405 N 1.89 2.35 0.01 5.02 -7.23 -0.33 -2.14 120.40 119.98 3a9x s VAL 405 Ca 0.02 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 3a9x s VAL 405 Cb -0.14 -2.89 -0.00 0.00 0.56 0.00 0.00 36.38 33.90 3a9x s VAL 405 CO -0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 3a9x n GLY 406 N -2.76 4.07 0.36 2.32 0.00 -1.26 -4.73 105.19 103.20 3a9x n GLY 406 Ca 0.10 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.33 3a9x n GLY 406 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3a9x h ARG 407 N 0.00 0.69 -0.01 1.61 3.08 -1.98 -2.84 114.38 114.93 3a9x h ARG 407 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3a9x h ARG 407 Cb 0.04 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3a9x h ARG 407 CO 0.01 0.46 -0.62 -1.13 -1.07 0.00 0.00 179.97 177.62 3a9x n SER 408 N -4.52 1.18 -4.73 7.04 3.41 -1.26 -4.97 113.62 109.77 3a9x n SER 408 Ca 0.14 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 3a9x n SER 408 Cb 0.37 0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 64.84 3a9x n SER 408 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3a9x s THR 409 N -2.77 2.20 0.24 6.66 2.01 -1.07 -4.99 115.64 117.91 3a9x s THR 409 Ca 0.14 0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.36 3a9x s THR 409 Cb 0.17 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3a9x s THR 409 CO 0.69 0.02 0.17 0.42 -0.69 0.00 0.00 174.62 175.23 3a9x s THR 410 N 0.64 4.35 0.36 -0.82 -4.23 -1.26 -4.94 115.64 109.74 3a9x s THR 410 Ca 0.68 -1.41 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 3a9x s THR 410 Cb -0.47 -3.33 0.14 0.00 1.34 0.00 0.00 72.50 70.18 3a9x s THR 410 CO 0.39 -0.31 1.87 0.03 -0.54 0.00 0.00 174.62 176.05 3a9x h ARG 411 N 1.68 0.33 0.09 3.99 3.08 -1.95 -1.36 114.38 120.23 3a9x h ARG 411 Ca -0.48 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.48 3a9x h ARG 411 Cb 1.23 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3a9x h ARG 411 CO 0.61 0.47 -0.04 0.00 -1.07 0.00 0.00 179.97 179.93 3a9x h ALA 412 N 1.56 -0.13 -0.90 0.04 0.00 -1.99 0.13 119.26 117.97 3a9x h ALA 412 Ca 0.06 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3a9x h ALA 412 Cb 0.43 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3a9x h ALA 412 CO 0.02 -0.53 0.58 0.93 0.00 0.00 0.00 179.25 180.25 3a9x h GLU 413 N -0.20 0.91 -0.04 0.00 5.08 -1.88 0.17 114.58 118.62 3a9x h GLU 413 Ca -0.01 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3a9x h GLU 413 Cb 0.17 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3a9x h GLU 413 CO 0.02 0.60 -0.09 0.28 -1.00 0.00 0.00 179.01 178.83 3a9x h VAL 414 N 0.94 0.77 -0.90 3.13 2.07 -0.30 -2.01 116.25 119.95 3a9x h VAL 414 Ca 0.40 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.03 3a9x h VAL 414 Cb 0.32 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 3a9x h VAL 414 CO -0.17 0.00 0.58 0.44 0.02 0.00 0.00 177.57 178.45 3a9x h ASP 415 N -0.13 0.80 -0.36 0.57 3.32 0.19 -1.93 116.42 118.87 3a9x h ASP 415 Ca 0.05 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3a9x h ASP 415 Cb 0.20 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3a9x h ASP 415 CO -0.12 0.46 0.06 -0.07 -1.72 0.00 0.00 179.24 177.85 3a9x h LEU 416 N 0.87 0.58 -0.94 1.55 3.38 -0.43 -2.91 115.31 117.41 3a9x h LEU 416 Ca 0.43 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3a9x h LEU 416 Cb 0.45 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3a9x h LEU 416 CO -0.19 0.69 -0.31 0.16 0.09 0.00 0.00 178.44 178.88 3a9x h ILE 417 N 0.44 0.73 -0.15 1.22 -0.00 -0.78 -1.39 117.51 117.58 3a9x h ILE 417 Ca 0.11 -1.38 -0.13 0.00 -0.00 0.00 0.00 64.86 63.46 3a9x h ILE 417 Cb 0.35 1.89 -0.01 0.00 -0.00 0.00 0.00 36.82 39.05 3a9x h ILE 417 CO 0.01 0.31 -0.45 0.58 -0.00 0.00 0.00 178.15 178.59 3a9x h VAL 418 N 0.00 1.32 -0.08 0.16 2.07 -1.25 0.20 116.25 118.66 3a9x h VAL 418 Ca -0.00 -1.63 -0.22 0.00 0.82 0.00 0.00 66.70 65.66 3a9x h VAL 418 Cb 0.86 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3a9x h VAL 418 CO 0.04 0.50 -0.85 1.56 0.02 0.00 0.00 177.57 178.84 3a9x h GLN 419 N 0.31 0.63 -0.79 1.57 1.08 -1.30 0.14 115.11 116.75 3a9x h GLN 419 Ca 0.02 -0.57 -0.02 0.00 -1.45 0.00 0.00 58.65 56.63 3a9x h GLN 419 Cb 0.91 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.44 3a9x h GLN 419 CO 0.08 1.18 0.41 0.22 -0.95 0.00 0.00 178.83 179.77 3a9x h ASP 420 N 0.40 0.99 -0.12 1.46 3.58 -0.99 0.13 116.42 121.87 3a9x h ASP 420 Ca -0.07 -0.09 -0.17 0.00 0.42 0.00 0.00 57.03 57.12 3a9x h ASP 420 Cb 1.47 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 3a9x h ASP 420 CO 0.16 0.81 -0.55 -0.07 -2.88 0.00 0.00 179.24 176.71 3a9x h LEU 421 N 1.11 0.79 -0.62 2.28 3.38 -0.21 -1.26 115.31 120.78 3a9x h LEU 421 Ca 0.28 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3a9x h LEU 421 Cb 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3a9x h LEU 421 CO -0.04 1.18 0.36 0.50 0.09 0.00 0.00 178.44 180.53 3a9x h LYS 422 N 0.54 0.68 -0.02 1.13 3.64 0.48 0.08 116.57 123.10 3a9x h LYS 422 Ca 0.01 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 3a9x h LYS 422 Cb 1.13 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3a9x h LYS 422 CO 0.11 0.45 -0.67 -0.56 -2.27 0.00 0.00 179.45 176.51 3a9x h GLN 423 N 0.70 0.12 0.07 1.90 -0.00 -0.67 -2.37 115.11 114.86 3a9x h GLN 423 Ca 0.26 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.65 58.82 3a9x h GLN 423 Cb 0.09 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 3a9x h GLN 423 CO -0.14 0.75 -0.04 0.00 -0.00 0.00 0.00 178.83 179.41 3a9x h ALA 424 N 1.23 -0.10 -0.49 0.06 0.00 -0.66 0.08 119.26 119.38 3a9x h ALA 424 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3a9x h ALA 424 Cb 1.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3a9x h ALA 424 CO 0.10 -0.48 0.23 0.28 0.00 0.00 0.00 179.25 179.38 3a9x h VAL 425 N -0.25 1.17 0.01 0.00 2.07 -0.94 -1.64 116.25 116.65 3a9x h VAL 425 Ca -0.01 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3a9x h VAL 425 Cb 0.22 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3a9x h VAL 425 CO 0.02 0.19 -0.00 0.78 0.02 0.00 0.00 177.57 178.58 3a9x h ASN 426 N 0.68 -0.01 -0.60 0.57 2.35 -1.21 0.49 115.58 117.85 3a9x h ASN 426 Ca 0.17 -0.45 0.12 0.00 -0.55 0.00 0.00 56.30 55.60 3a9x h ASN 426 Cb 0.08 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3a9x h ASN 426 CO -0.02 0.45 0.41 1.56 -1.65 0.00 0.00 177.43 178.18 3a9x h GLN 427 N -0.46 0.28 0.00 0.81 7.50 -0.79 -2.93 115.11 119.52 3a9x h GLN 427 Ca -0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.13 3a9x h GLN 427 Cb 0.46 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.92 3a9x h GLN 427 CO 0.00 0.19 -0.00 -0.07 -1.50 0.00 0.00 178.83 177.45 3a9x h LEU 428 N 0.29 -0.01 -1.00 1.46 3.38 -1.14 -3.51 115.31 114.78 3a9x h LEU 428 Ca 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3a9x h LEU 428 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3a9x h LEU 428 CO -0.07 0.58 0.00 -0.62 0.09 0.00 0.00 178.44 178.42