#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3x s ASN 3 N 0.00 6.58 0.00 6.43 3.84 -1.26 -4.66 114.94 125.87 2b3x s ASN 3 Ca 0.00 0.63 0.18 0.00 0.21 0.00 0.00 52.86 53.88 2b3x s ASN 3 Cb 0.00 -2.55 0.99 0.00 -0.55 0.00 0.00 41.25 39.15 2b3x s ASN 3 CO 0.00 -1.27 1.50 -0.81 -2.79 0.00 0.00 177.10 173.73 2b3x n PRO 4 N 7.82 0.43 -0.19 0.43 -0.04 -1.26 -2.55 135.00 139.64 2b3x n PRO 4 Ca 0.13 0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 2b3x n PRO 4 Cb 0.48 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.60 2b3x n PRO 4 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2b3x n PHE 5 N -1.13 0.48 0.09 0.54 3.01 -1.26 -4.71 117.46 114.49 2b3x n PHE 5 Ca 0.11 -0.52 0.17 0.00 1.01 0.00 0.00 57.45 58.23 2b3x n PHE 5 Cb 0.10 -0.04 0.71 0.00 -0.01 0.00 0.00 39.48 40.24 2b3x n PHE 5 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2b3x h ALA 6 N 2.02 2.26 0.00 4.37 0.00 -1.87 0.56 119.26 126.59 2b3x h ALA 6 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b3x h ALA 6 Cb 0.76 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2b3x h ALA 6 CO 0.01 -0.46 0.00 -2.39 0.00 0.00 0.00 179.25 176.41 2b3x n HIS 7 N -4.27 0.65 0.15 0.00 1.44 -1.26 -2.05 115.22 109.88 2b3x n HIS 7 Ca 0.06 0.30 0.03 0.00 -2.01 0.00 0.00 57.72 56.10 2b3x n HIS 7 Cb 0.46 -0.98 0.05 0.00 0.12 0.00 0.00 29.99 29.63 2b3x n HIS 7 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2b3x h LEU 8 N 0.00 0.00 -9.33 2.39 3.38 -1.23 -3.46 115.31 107.06 2b3x h LEU 8 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2b3x h LEU 8 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2b3x h LEU 8 CO 0.00 0.45 0.98 0.00 0.09 0.00 0.00 178.44 179.96 2b3x s ALA 9 N -3.00 3.63 0.09 1.53 0.00 -0.87 -2.03 121.76 121.11 2b3x s ALA 9 Ca 0.04 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 2b3x s ALA 9 Cb 0.07 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2b3x s ALA 9 CO 0.74 -1.17 0.28 -1.83 0.00 0.00 0.00 175.76 173.78 2b3x s GLU 10 N 3.20 0.92 0.31 0.00 -1.05 -0.63 -4.93 118.70 116.51 2b3x s GLU 10 Ca 0.69 -0.79 -0.29 0.00 -0.15 0.00 0.00 54.97 54.43 2b3x s GLU 10 Cb -0.33 0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 33.64 2b3x s GLU 10 CO 0.28 -0.32 1.41 -1.25 0.95 0.00 0.00 175.26 176.34 2b3x s PRO 11 N -3.60 4.26 0.16 -4.83 0.04 -1.26 -1.50 135.00 128.27 2b3x s PRO 11 Ca 0.02 2.35 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 2b3x s PRO 11 Cb 0.03 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2b3x s PRO 11 CO -0.10 -0.38 1.40 1.25 0.04 0.00 0.00 177.00 179.21 2b3x h LEU 12 N 4.06 0.58 -7.23 -3.56 5.85 -1.82 -3.44 115.31 109.74 2b3x h LEU 12 Ca -0.48 -0.39 -0.36 0.00 0.84 0.00 0.00 57.88 57.50 2b3x h LEU 12 Cb 1.22 -0.17 -0.38 0.00 0.37 0.00 0.00 40.66 41.70 2b3x h LEU 12 CO 0.71 1.14 -0.70 -0.62 -0.34 0.00 0.00 178.44 178.63 2b3x s ASP 13 N -7.01 1.20 0.43 1.25 -1.08 -1.26 -5.04 116.67 105.15 2b3x s ASP 13 Ca -0.07 0.05 0.26 0.00 -0.52 0.00 0.00 52.55 52.28 2b3x s ASP 13 Cb 0.10 0.00 1.32 0.00 -1.46 0.00 0.00 42.92 42.88 2b3x s ASP 13 CO 0.86 -0.27 1.68 -0.65 0.52 0.00 0.00 175.17 177.31 2b3x h PRO 14 N 8.41 0.19 -0.01 4.34 0.11 -1.97 -2.45 132.00 140.60 2b3x h PRO 14 Ca -0.13 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.79 2b3x h PRO 14 Cb 1.12 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2b3x h PRO 14 CO 0.17 0.12 -0.80 -0.24 -0.21 0.00 0.00 178.00 177.05 2b3x h VAL 15 N 0.19 1.47 -3.36 3.15 3.04 -2.00 -3.31 116.25 115.43 2b3x h VAL 15 Ca 0.73 -2.46 -0.69 0.00 -1.01 0.00 0.00 66.70 63.27 2b3x h VAL 15 Cb 2.18 2.35 -0.36 0.00 -2.01 0.00 0.00 31.29 33.45 2b3x h VAL 15 CO -0.35 0.72 -0.26 0.00 -1.01 0.00 0.00 177.57 176.67 2b3x s GLN 16 N -3.35 2.91 0.30 4.17 0.00 -0.92 -4.98 119.66 117.79 2b3x s GLN 16 Ca -0.03 -3.05 0.25 0.00 -0.00 0.00 0.00 55.36 52.54 2b3x s GLN 16 Cb 0.11 -3.80 0.70 0.00 0.00 0.00 0.00 33.01 30.02 2b3x s GLN 16 CO 0.82 -1.24 1.73 -1.00 0.00 0.00 0.00 175.29 175.60 2b3x h PRO 17 N 6.24 0.00 0.00 9.60 0.13 -1.66 -3.14 132.00 143.17 2b3x h PRO 17 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2b3x h PRO 17 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2b3x h PRO 17 CO 0.79 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.34 2b3x h GLY 18 N 4.07 0.00 -7.23 1.56 0.00 -1.93 -3.43 103.07 96.11 2b3x h GLY 18 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 2b3x h GLY 18 CO 0.00 0.00 0.40 0.54 0.00 0.00 0.00 176.54 177.48 2b3x s LYS 19 N -3.32 3.10 0.40 4.80 3.01 -1.19 -4.56 119.74 121.99 2b3x s LYS 19 Ca 0.06 -1.04 0.08 0.00 -1.01 0.00 0.00 55.97 54.05 2b3x s LYS 19 Cb 0.08 -4.27 -0.00 0.00 -1.01 0.00 0.00 37.83 32.63 2b3x s LYS 19 CO 0.58 -1.72 0.49 0.15 0.51 0.00 0.00 175.35 175.36 2b3x s LYS 20 N 3.52 2.79 0.02 1.68 1.02 0.15 -2.77 119.74 126.15 2b3x s LYS 20 Ca 0.19 -1.28 -0.14 0.00 0.02 0.00 0.00 55.97 54.76 2b3x s LYS 20 Cb -0.19 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 2b3x s LYS 20 CO 0.08 -0.18 0.30 -0.59 -0.92 0.00 0.00 175.35 174.03 2b3x s PHE 21 N -2.35 -0.13 -0.73 3.18 -0.12 -0.56 -0.41 117.98 116.86 2b3x s PHE 21 Ca 0.51 0.09 -0.27 0.00 -0.05 0.00 0.00 56.93 57.22 2b3x s PHE 21 Cb -0.08 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.42 2b3x s PHE 21 CO 0.31 -0.44 1.41 -0.06 -0.05 0.00 0.00 175.22 176.39 2b3x s PHE 22 N -1.95 2.17 -0.69 3.49 0.40 -1.26 -1.60 117.98 118.53 2b3x s PHE 22 Ca -0.09 0.08 -0.26 0.00 -0.60 0.00 0.00 56.93 56.06 2b3x s PHE 22 Cb -0.03 -4.52 -0.01 0.00 0.51 0.00 0.00 43.02 38.97 2b3x s PHE 22 CO 0.00 -2.11 1.71 1.21 0.70 0.00 0.00 175.22 176.73 2b3x s ASN 23 N 4.71 5.53 0.36 1.36 3.84 -0.86 -4.86 114.94 125.02 2b3x s ASN 23 Ca 0.42 -0.04 0.09 0.00 0.21 0.00 0.00 52.86 53.55 2b3x s ASN 23 Cb -0.08 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.77 2b3x s ASN 23 CO 0.15 -2.25 1.85 -0.07 -2.79 0.00 0.00 177.10 173.99 2b3x h LEU 24 N 15.59 0.19 -2.26 3.21 4.07 -1.87 -1.80 115.31 132.44 2b3x h LEU 24 Ca -0.21 -0.05 0.05 0.00 0.08 0.00 0.00 57.88 57.75 2b3x h LEU 24 Cb 1.11 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 2b3x h LEU 24 CO 1.24 0.44 0.19 0.78 -1.08 0.00 0.00 178.44 180.01 2b3x h ASN 25 N 0.18 0.00 0.46 -0.43 -0.26 -1.83 -1.80 115.58 111.90 2b3x h ASN 25 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2b3x h ASN 25 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 2b3x h ASN 25 CO 0.04 0.00 0.00 1.17 -1.06 0.00 0.00 177.43 177.58 2b3x n LYS 26 N -3.75 0.53 0.21 0.81 3.00 -0.67 -2.49 118.16 115.79 2b3x n LYS 26 Ca 0.01 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.50 2b3x n LYS 26 Cb 0.31 -1.50 0.84 0.00 0.00 0.00 0.00 35.03 34.67 2b3x n LYS 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2b3x h LEU 27 N 0.00 0.00 -1.65 3.14 4.07 -1.46 -3.46 115.31 115.95 2b3x h LEU 27 Ca 0.00 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.45 2b3x h LEU 27 Cb 0.23 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.88 2b3x h LEU 27 CO 0.00 0.00 -0.86 -0.62 -1.08 0.00 0.00 178.44 175.88 2b3x n GLU 28 N -3.60 -3.43 -4.35 1.13 -0.58 -1.04 -4.97 120.64 103.80 2b3x n GLU 28 Ca 0.02 0.41 -0.33 0.00 -0.42 0.00 0.00 57.16 56.85 2b3x n GLU 28 Cb 0.38 -4.74 -0.16 0.00 -0.57 0.00 0.00 31.44 26.36 2b3x n GLU 28 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2b3x s ASP 29 N -4.04 3.09 0.49 1.62 -1.08 -1.26 -5.01 116.67 110.48 2b3x s ASP 29 Ca 0.23 -0.62 0.28 0.00 -0.52 0.00 0.00 52.55 51.92 2b3x s ASP 29 Cb -0.12 -1.45 1.17 0.00 -1.46 0.00 0.00 42.92 41.06 2b3x s ASP 29 CO 0.89 0.03 1.92 0.77 0.52 0.00 0.00 175.17 179.31 2b3x h SER 30 N 7.68 0.00 -0.65 -0.34 4.64 -1.98 -2.99 113.55 119.90 2b3x h SER 30 Ca -0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2b3x h SER 30 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 2b3x h SER 30 CO 0.60 0.13 0.36 0.03 -0.87 0.00 0.00 176.83 177.08 2b3x h ARG 31 N 0.00 0.92 -0.39 4.77 3.08 -1.95 -3.04 114.38 117.77 2b3x h ARG 31 Ca -0.00 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.03 2b3x h ARG 31 Cb 0.60 -0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 2b3x h ARG 31 CO 0.02 0.68 -0.15 -0.92 -1.07 0.00 0.00 179.97 178.53 2b3x h TYR 32 N 0.93 -0.36 0.00 3.04 3.20 -1.81 -2.37 116.97 119.60 2b3x h TYR 32 Ca 0.24 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2b3x h TYR 32 Cb 0.03 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2b3x h TYR 32 CO 0.01 -0.23 0.00 0.41 -1.64 0.00 0.00 178.16 176.71 2b3x n GLY 33 N -1.34 -0.57 0.27 1.82 0.00 -1.15 -1.92 105.19 102.31 2b3x n GLY 33 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.04 2b3x n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3x n ARG 34 N -1.20 1.87 -2.11 1.61 1.74 -0.90 -4.88 116.66 112.79 2b3x n ARG 34 Ca 0.06 -0.70 -0.40 0.00 -0.77 0.00 0.00 57.85 56.05 2b3x n ARG 34 Cb 0.07 -1.12 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 2b3x n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2b3x s LEU 35 N -1.61 4.29 0.51 0.55 1.43 -0.81 -1.34 118.68 121.71 2b3x s LEU 35 Ca 0.10 2.63 -0.21 0.00 -1.03 0.00 0.00 54.13 55.61 2b3x s LEU 35 Cb 0.09 -3.83 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 2b3x s LEU 35 CO 0.26 -0.71 1.01 -2.65 0.23 0.00 0.00 176.35 174.49 2b3x n PRO 36 N 0.36 1.19 0.20 1.29 -0.02 -1.26 -4.67 135.00 132.09 2b3x n PRO 36 Ca 0.02 0.44 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 2b3x n PRO 36 Cb 0.43 -2.14 0.41 0.00 -0.02 0.00 0.00 33.50 32.18 2b3x n PRO 36 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2b3x h PHE 37 N 1.07 0.00 -0.62 6.00 -1.00 -1.97 -2.33 116.94 118.09 2b3x h PHE 37 Ca -0.47 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.28 2b3x h PHE 37 Cb 1.35 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.88 2b3x h PHE 37 CO 0.41 0.31 0.24 0.66 -1.61 0.00 0.00 178.31 178.32 2b3x h SER 38 N 0.00 0.82 0.28 2.17 4.64 -1.97 -2.67 113.55 116.82 2b3x h SER 38 Ca -0.00 -0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.03 2b3x h SER 38 Cb 0.56 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2b3x h SER 38 CO 0.04 0.74 -0.70 0.40 -0.87 0.00 0.00 176.83 176.44 2b3x h ILE 39 N 0.88 1.38 -0.81 0.95 1.08 -1.79 -3.07 117.51 116.14 2b3x h ILE 39 Ca 0.21 -2.11 0.12 0.00 -0.39 0.00 0.00 64.86 62.68 2b3x h ILE 39 Cb 0.18 2.09 -0.06 0.00 -3.07 0.00 0.00 36.82 35.96 2b3x h ILE 39 CO -0.02 0.63 0.53 0.03 -0.69 0.00 0.00 178.15 178.63 2b3x h ARG 40 N 0.26 0.65 -0.16 2.37 3.08 -1.13 0.14 114.38 119.58 2b3x h ARG 40 Ca -0.02 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 2b3x h ARG 40 Cb 1.26 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2b3x h ARG 40 CO 0.12 0.43 -0.45 0.28 -1.07 0.00 0.00 179.97 179.27 2b3x h VAL 41 N 0.66 1.34 -0.46 2.04 2.07 -1.45 -1.38 116.25 119.08 2b3x h VAL 41 Ca 0.39 -1.71 0.07 0.00 0.82 0.00 0.00 66.70 66.26 2b3x h VAL 41 Cb 0.58 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 2b3x h VAL 41 CO -0.15 0.53 0.12 -0.07 0.02 0.00 0.00 177.57 178.01 2b3x h LEU 42 N 0.24 0.07 -0.64 2.57 3.38 -1.33 -1.37 115.31 118.24 2b3x h LEU 42 Ca -0.01 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2b3x h LEU 42 Cb 1.07 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 2b3x h LEU 42 CO 0.10 0.07 0.34 0.25 0.09 0.00 0.00 178.44 179.29 2b3x h LEU 43 N 0.27 0.48 -0.28 1.67 5.85 -0.64 -2.14 115.31 120.52 2b3x h LEU 43 Ca 0.22 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 2b3x h LEU 43 Cb 0.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2b3x h LEU 43 CO -0.26 0.31 0.06 -0.08 -0.34 0.00 0.00 178.44 178.12 2b3x h GLU 44 N 0.62 0.46 -0.98 1.25 4.22 -0.89 -2.24 114.58 117.01 2b3x h GLU 44 Ca 0.29 -0.11 0.09 0.00 0.08 0.00 0.00 59.36 59.71 2b3x h GLU 44 Cb 0.22 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 2b3x h GLU 44 CO -0.20 0.55 0.62 0.00 -2.18 0.00 0.00 179.01 177.80 2b3x h ALA 45 N 0.89 1.42 -0.24 2.92 0.00 -1.00 -2.13 119.26 121.11 2b3x h ALA 45 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2b3x h ALA 45 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2b3x h ALA 45 CO 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.45 2b3x h ALA 46 N 1.49 0.34 -0.22 0.00 0.00 -1.24 -2.72 119.26 116.90 2b3x h ALA 46 Ca 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2b3x h ALA 46 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2b3x h ALA 46 CO -0.22 0.19 0.10 0.82 0.00 0.00 0.00 179.25 180.13 2b3x h ILE 47 N 0.22 1.15 -0.16 0.00 2.04 -0.97 -1.08 117.51 118.71 2b3x h ILE 47 Ca 0.05 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 2b3x h ILE 47 Cb 0.60 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2b3x h ILE 47 CO 0.03 0.14 -0.20 -0.09 0.00 0.00 0.00 178.15 178.04 2b3x h ARG 48 N 0.21 0.27 -0.30 2.37 2.43 -1.48 -3.03 114.38 114.85 2b3x h ARG 48 Ca 0.07 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2b3x h ARG 48 Cb 0.13 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2b3x h ARG 48 CO -0.01 0.47 0.00 0.09 -1.51 0.00 0.00 179.97 179.01 2b3x n ASN 49 N -4.20 2.82 -4.63 -3.80 3.02 -0.99 -4.94 115.26 102.54 2b3x n ASN 49 Ca -0.01 -1.90 -0.43 0.00 -0.03 0.00 0.00 54.58 52.22 2b3x n ASN 49 Cb 0.33 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 2b3x n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b3x n ASP 51 N 9.29 3.98 0.00 0.00 5.75 -0.97 -4.11 116.55 130.49 2b3x n ASP 51 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 2b3x n ASP 51 Cb 0.44 0.72 0.00 0.00 -1.03 0.00 0.00 41.12 41.25 2b3x n ASP 51 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2b3x n GLU 52 N -1.29 0.00 -0.01 0.11 4.07 -0.46 -4.49 120.64 118.58 2b3x n GLU 52 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 2b3x n GLU 52 Cb 0.08 -1.62 -0.01 0.00 -0.06 0.00 0.00 31.44 29.83 2b3x n GLU 52 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2b3x n PHE 53 N -2.49 0.00 -0.02 4.31 7.35 -1.26 -4.83 117.46 120.52 2b3x n PHE 53 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 2b3x n PHE 53 Cb 0.00 -0.15 -0.14 0.00 0.35 0.00 0.00 39.48 39.54 2b3x n PHE 53 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2b3x n LEU 54 N -3.43 0.92 -3.94 -2.13 4.77 -1.26 -4.73 117.00 107.20 2b3x n LEU 54 Ca -0.04 0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 56.04 2b3x n LEU 54 Cb 0.16 0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.23 2b3x n LEU 54 CO 0.06 0.40 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.42 2b3x s VAL 55 N -2.60 1.55 0.28 4.08 1.01 -1.26 -4.87 120.40 118.58 2b3x s VAL 55 Ca -0.05 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 60.67 2b3x s VAL 55 Cb 0.08 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2b3x s VAL 55 CO 0.82 -0.15 0.43 -0.54 0.00 0.00 0.00 175.10 175.66 2b3x s LYS 56 N 1.38 3.46 0.46 2.72 1.02 -1.26 -1.35 119.74 126.17 2b3x s LYS 56 Ca -0.04 -0.58 0.12 0.00 0.02 0.00 0.00 55.97 55.49 2b3x s LYS 56 Cb -0.19 -2.81 1.05 0.00 -0.52 0.00 0.00 37.83 35.37 2b3x s LYS 56 CO -0.07 0.33 2.09 -0.22 -0.92 0.00 0.00 175.35 176.55 2b3x h LYS 57 N 1.08 0.30 -0.14 1.68 3.64 -1.98 -2.08 116.57 119.07 2b3x h LYS 57 Ca -0.51 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.74 2b3x h LYS 57 Cb 1.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2b3x h LYS 57 CO 0.62 0.20 -0.42 0.37 -2.27 0.00 0.00 179.45 177.95 2b3x h GLN 58 N 0.31 0.32 -0.45 1.90 5.75 -1.99 -2.61 115.11 118.33 2b3x h GLN 58 Ca 0.10 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2b3x h GLN 58 Cb 0.05 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2b3x h GLN 58 CO -0.02 0.68 0.25 -0.44 -2.65 0.00 0.00 178.83 176.65 2b3x h ASP 59 N 0.26 0.38 -0.85 -0.69 3.45 -1.77 0.12 116.42 117.33 2b3x h ASP 59 Ca 0.02 0.01 0.04 0.00 0.43 0.00 0.00 57.03 57.54 2b3x h ASP 59 Cb 0.85 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 39.50 2b3x h ASP 59 CO 0.07 0.27 0.54 0.40 -1.57 0.00 0.00 179.24 178.95 2b3x h ILE 60 N 0.50 1.12 -0.47 0.35 5.03 -1.45 -1.97 117.51 120.62 2b3x h ILE 60 Ca 0.19 -0.36 -0.11 0.00 -0.12 0.00 0.00 64.86 64.47 2b3x h ILE 60 Cb 0.06 -0.01 -0.02 0.00 -3.03 0.00 0.00 36.82 33.82 2b3x h ILE 60 CO -0.11 0.19 -0.13 -0.08 -0.68 0.00 0.00 178.15 177.34 2b3x h GLU 61 N 1.04 0.89 -0.23 2.37 4.57 -1.00 -1.97 114.58 120.24 2b3x h GLU 61 Ca 0.34 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2b3x h GLU 61 Cb 0.04 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2b3x h GLU 61 CO -0.13 0.96 -0.06 -0.91 -1.18 0.00 0.00 179.01 177.70 2b3x h ASN 62 N 0.79 0.32 0.09 1.04 -0.26 -0.46 -2.02 115.58 115.09 2b3x h ASN 62 Ca 0.12 -0.06 -0.22 0.00 -0.56 0.00 0.00 56.30 55.58 2b3x h ASN 62 Cb 0.66 -0.08 0.02 0.00 -1.06 0.00 0.00 38.32 37.85 2b3x h ASN 62 CO 0.05 0.43 -0.93 0.40 -1.06 0.00 0.00 177.43 176.32 2b3x h ILE 63 N 0.33 1.40 -0.95 2.81 2.04 -1.07 -3.08 117.51 118.99 2b3x h ILE 63 Ca 0.07 -2.37 0.12 0.00 1.00 0.00 0.00 64.86 63.68 2b3x h ILE 63 Cb 0.32 2.83 -0.08 0.00 -0.74 0.00 0.00 36.82 39.15 2b3x h ILE 63 CO 0.01 0.70 0.60 -0.07 0.00 0.00 0.00 178.15 179.40 2b3x h LEU 64 N -0.04 0.83 -1.86 1.44 3.38 -1.35 -1.77 115.31 115.93 2b3x h LEU 64 Ca -0.14 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2b3x h LEU 64 Cb 1.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2b3x h LEU 64 CO 0.18 0.44 0.02 1.57 0.09 0.00 0.00 178.44 180.74 2b3x n HIS 65 N -4.58 0.66 -0.32 1.13 -0.00 -0.76 -4.56 115.22 106.79 2b3x n HIS 65 Ca 0.18 -0.29 0.14 0.00 0.46 0.00 0.00 57.72 58.20 2b3x n HIS 65 Cb 0.37 -0.25 0.29 0.00 -0.12 0.00 0.00 29.99 30.28 2b3x n HIS 65 CO 0.00 0.00 0.00 2.35 0.46 0.00 0.00 176.34 179.15 2b3x h TRP 66 N 1.11 0.09 -1.00 1.57 7.01 -1.23 0.17 115.95 123.66 2b3x h TRP 66 Ca 0.02 0.06 0.17 0.00 2.11 0.00 0.00 58.89 61.25 2b3x h TRP 66 Cb 1.02 0.11 -0.10 0.00 -2.10 0.00 0.00 29.16 28.09 2b3x h TRP 66 CO 0.35 -0.36 0.62 -0.97 -2.79 0.00 0.00 178.44 175.28 2b3x h ASN 67 N 0.06 0.82 0.07 2.65 -0.00 -1.86 0.18 115.58 117.50 2b3x h ASN 67 Ca 0.58 0.08 -0.27 0.00 -0.00 0.00 0.00 56.30 56.69 2b3x h ASN 67 Cb 1.20 -0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 39.42 2b3x h ASN 67 CO -0.82 0.35 -1.45 0.58 -0.00 0.00 0.00 177.43 176.09 2b3x h VAL 68 N 0.83 0.91 0.00 2.57 2.07 -1.49 -3.41 116.25 117.73 2b3x h VAL 68 Ca 0.55 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2b3x h VAL 68 Cb 0.77 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2b3x h VAL 68 CO -0.34 0.59 0.00 0.71 0.02 0.00 0.00 177.57 178.56 2b3x h THR 69 N -0.51 0.00 0.00 2.57 1.35 -0.27 -2.86 112.91 113.19 2b3x h THR 69 Ca -0.34 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2b3x h THR 69 Cb 1.62 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 2b3x h THR 69 CO -0.04 0.00 0.00 0.06 -0.25 0.00 0.00 175.52 175.29 2b3x h GLN 70 N 0.00 0.00 -0.01 4.72 3.07 -0.89 -1.95 115.11 120.05 2b3x h GLN 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2b3x h GLN 70 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 2b3x h GLN 70 CO 0.00 0.00 -0.48 0.72 0.09 0.00 0.00 178.83 179.16 2b3x n HIS 71 N -2.85 0.00 -0.06 0.06 8.25 -1.08 -4.42 115.22 115.12 2b3x n HIS 71 Ca -0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.55 2b3x n HIS 71 Cb 0.06 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.46 2b3x n HIS 71 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2b3x n LYS 72 N -0.32 2.58 -3.97 -0.41 5.02 -0.73 -4.98 118.16 115.35 2b3x n LYS 72 Ca 0.07 -2.44 -0.32 0.00 -2.02 0.00 0.00 58.31 53.60 2b3x n LYS 72 Cb 0.37 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 2b3x n LYS 72 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2b3x n ASN 73 N 1.52 -2.19 -4.78 4.39 5.15 -1.25 -4.97 115.26 113.14 2b3x n ASN 73 Ca 0.22 -1.12 -0.30 0.00 -0.60 0.00 0.00 54.58 52.79 2b3x n ASN 73 Cb 0.59 -2.62 -0.06 0.00 -0.53 0.00 0.00 39.78 37.16 2b3x n ASN 73 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2b3x s ILE 74 N -3.81 4.56 0.01 -1.44 -5.25 -1.26 -4.96 121.20 109.04 2b3x s ILE 74 Ca 0.23 -0.77 -0.15 0.00 -0.99 0.00 0.00 60.65 58.96 2b3x s ILE 74 Cb -0.10 -3.20 -0.06 0.00 2.95 0.00 0.00 42.46 42.05 2b3x s ILE 74 CO 0.92 0.11 0.43 -1.83 -1.79 0.00 0.00 174.94 172.78 2b3x s GLU 75 N -2.43 3.96 0.02 0.37 -1.05 -1.26 -1.07 118.70 117.24 2b3x s GLU 75 Ca 0.30 0.45 0.05 0.00 -0.15 0.00 0.00 54.97 55.61 2b3x s GLU 75 Cb -0.12 -3.23 -0.02 0.00 -0.44 0.00 0.00 34.13 30.32 2b3x s GLU 75 CO 0.22 0.67 -0.14 0.14 0.95 0.00 0.00 175.26 177.11 2b3x s VAL 76 N -1.04 1.08 0.36 1.83 -7.23 0.10 -4.91 120.40 110.59 2b3x s VAL 76 Ca 0.24 -0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 59.31 2b3x s VAL 76 Cb -0.17 -0.95 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 2b3x s VAL 76 CO 0.14 0.10 1.07 -2.16 -0.31 0.00 0.00 175.10 173.94 2b3x s PRO 77 N -0.85 4.29 -0.06 4.82 0.04 -1.26 -1.97 135.00 140.01 2b3x s PRO 77 Ca 0.03 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 2b3x s PRO 77 Cb -0.07 -2.74 0.03 0.00 0.04 0.00 0.00 34.50 31.76 2b3x s PRO 77 CO 0.01 -0.05 -0.00 0.12 0.04 0.00 0.00 177.00 177.11 2b3x s PHE 78 N -1.50 0.64 -0.40 0.56 5.36 0.55 -4.83 117.98 118.37 2b3x s PHE 78 Ca 0.54 -0.15 -0.07 0.00 -0.96 0.00 0.00 56.93 56.29 2b3x s PHE 78 Cb -0.25 -0.75 0.08 0.00 -0.34 0.00 0.00 43.02 41.76 2b3x s PHE 78 CO 0.32 -0.29 0.20 0.15 -1.46 0.00 0.00 175.22 174.14 2b3x s LYS 79 N 1.77 2.45 0.63 10.12 1.02 -1.26 -0.22 119.74 134.25 2b3x s LYS 79 Ca 0.02 -1.50 -0.15 0.00 0.02 0.00 0.00 55.97 54.36 2b3x s LYS 79 Cb -0.13 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 2b3x s LYS 79 CO -0.04 -0.92 1.09 -1.25 -0.92 0.00 0.00 175.35 173.31 2b3x s PRO 80 N 1.34 3.00 0.35 -1.68 0.04 -1.26 -4.91 135.00 131.88 2b3x s PRO 80 Ca 0.03 1.33 0.16 0.00 0.04 0.00 0.00 61.00 62.56 2b3x s PRO 80 Cb -0.22 -1.98 0.64 0.00 0.04 0.00 0.00 34.50 32.98 2b3x s PRO 80 CO 0.00 -1.08 1.73 0.00 0.04 0.00 0.00 177.00 177.69 2b3x h ALA 81 N 0.21 1.06 -2.99 8.56 0.00 -1.69 -3.48 119.26 120.92 2b3x h ALA 81 Ca -0.47 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.09 2b3x h ALA 81 Cb 1.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2b3x h ALA 81 CO 0.55 0.53 0.21 -0.98 0.00 0.00 0.00 179.25 179.56 2b3x s ARG 82 N -3.72 1.86 0.05 0.00 1.70 -1.00 -4.28 118.95 113.56 2b3x s ARG 82 Ca -0.01 -1.11 0.05 0.00 -0.47 0.00 0.00 55.73 54.20 2b3x s ARG 82 Cb 0.12 0.60 -0.03 0.00 -0.57 0.00 0.00 34.95 35.07 2b3x s ARG 82 CO 0.71 -0.85 -0.14 0.08 -1.08 0.00 0.00 175.30 174.01 2b3x s VAL 83 N -3.61 1.14 -0.01 4.99 1.01 -0.76 -2.58 120.40 120.59 2b3x s VAL 83 Ca 0.13 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2b3x s VAL 83 Cb -0.05 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2b3x s VAL 83 CO 0.08 -0.08 -0.14 -0.51 0.00 0.00 0.00 175.10 174.45 2b3x s ILE 84 N -1.03 1.11 0.09 2.22 2.07 -0.77 -2.04 121.20 122.86 2b3x s ILE 84 Ca 0.00 -0.63 0.05 0.00 -1.41 0.00 0.00 60.65 58.66 2b3x s ILE 84 Cb -0.09 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 2b3x s ILE 84 CO 0.02 0.29 -0.12 -0.76 -1.91 0.00 0.00 174.94 172.45 2b3x s LEU 85 N -0.40 2.36 0.42 8.50 1.02 0.13 -1.48 118.68 129.24 2b3x s LEU 85 Ca 0.05 -0.75 0.07 0.00 0.02 0.00 0.00 54.13 53.52 2b3x s LEU 85 Cb -0.06 -0.41 -0.05 0.00 0.02 0.00 0.00 46.19 45.69 2b3x s LEU 85 CO -0.00 -0.18 0.15 0.00 0.02 0.00 0.00 176.35 176.33 2b3x s GLN 86 N -2.43 2.18 0.28 1.70 1.03 -1.26 -1.17 119.66 119.97 2b3x s GLN 86 Ca 0.04 -1.93 0.04 0.00 0.04 0.00 0.00 55.36 53.54 2b3x s GLN 86 Cb -0.06 -1.90 0.39 0.00 0.03 0.00 0.00 33.01 31.48 2b3x s GLN 86 CO 0.01 -0.14 1.68 0.38 -2.54 0.00 0.00 175.29 174.69 2b3x h ASP 87 N 1.46 0.39 -0.76 12.60 2.03 -1.90 0.31 116.42 130.56 2b3x h ASP 87 Ca -0.43 -0.16 -0.03 0.00 -0.73 0.00 0.00 57.03 55.68 2b3x h ASP 87 Cb 1.26 -0.11 -0.04 0.00 -0.83 0.00 0.00 39.33 39.61 2b3x h ASP 87 CO 0.72 0.73 0.36 -0.26 -1.03 0.00 0.00 179.24 179.76 2b3x h PHE 88 N 0.32 1.10 0.00 4.15 -1.00 -1.91 -2.43 116.94 117.18 2b3x h PHE 88 Ca 0.04 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2b3x h PHE 88 Cb 0.79 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 40.01 2b3x h PHE 88 CO 0.02 0.81 -1.06 0.25 -1.61 0.00 0.00 178.31 176.72 2b3x n THR 89 N -4.31 0.19 -0.04 -1.55 -2.24 -1.16 -4.47 114.28 100.70 2b3x n THR 89 Ca 0.07 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 2b3x n THR 89 Cb 0.14 0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.45 2b3x n THR 89 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2b3x h GLY 90 N 4.48 0.33 0.39 3.38 0.00 -0.09 -2.52 103.07 109.05 2b3x h GLY 90 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2b3x h GLY 90 CO 0.00 0.36 -0.47 -2.08 0.00 0.00 0.00 176.54 174.35 2b3x h VAL 91 N -0.15 0.00 -0.38 4.60 2.07 -1.66 0.07 116.25 120.80 2b3x h VAL 91 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2b3x h VAL 91 Cb 0.80 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2b3x h VAL 91 CO 0.05 0.00 0.26 1.55 0.02 0.00 0.00 177.57 179.45 2b3x h PRO 92 N -0.88 0.16 -0.39 1.57 0.13 -1.77 0.13 132.00 130.95 2b3x h PRO 92 Ca -0.05 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.94 2b3x h PRO 92 Cb 0.79 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2b3x h PRO 92 CO -0.11 0.11 -0.30 0.00 -0.23 0.00 0.00 178.00 177.47 2b3x h ALA 93 N 1.81 0.74 0.02 -0.56 0.00 -1.11 -1.47 119.26 118.69 2b3x h ALA 93 Ca 0.17 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 2b3x h ALA 93 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2b3x h ALA 93 CO -0.03 0.66 -0.97 0.28 0.00 0.00 0.00 179.25 179.19 2b3x h VAL 94 N 0.71 1.59 -0.75 0.00 2.07 0.14 -1.97 116.25 118.04 2b3x h VAL 94 Ca 0.08 -3.00 -0.01 0.00 0.82 0.00 0.00 66.70 64.59 2b3x h VAL 94 Cb 0.85 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 2b3x h VAL 94 CO 0.07 0.86 0.44 0.58 0.02 0.00 0.00 177.57 179.55 2b3x h VAL 95 N 0.04 1.22 0.00 2.57 2.07 -0.74 -1.36 116.25 120.06 2b3x h VAL 95 Ca -0.04 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 66.84 2b3x h VAL 95 Cb 1.66 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2b3x h VAL 95 CO 0.14 0.23 -0.65 0.44 0.02 0.00 0.00 177.57 177.75 2b3x h ASP 96 N 1.03 0.00 0.16 0.57 3.32 -1.19 -0.76 116.42 119.55 2b3x h ASP 96 Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2b3x h ASP 96 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2b3x h ASP 96 CO -0.05 0.65 -0.08 -0.26 -1.72 0.00 0.00 179.24 177.79 2b3x h PHE 97 N 0.00 -0.20 -0.96 4.55 0.04 -1.18 0.54 116.94 119.73 2b3x h PHE 97 Ca -0.01 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.90 2b3x h PHE 97 Cb 1.23 0.07 -0.09 0.00 2.20 0.00 0.00 35.95 39.36 2b3x h PHE 97 CO 0.00 -0.01 0.58 0.00 -0.60 0.00 0.00 178.31 178.28 2b3x h ALA 98 N 0.45 1.48 -0.05 2.45 0.00 -1.20 -0.79 119.26 121.60 2b3x h ALA 98 Ca -0.02 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2b3x h ALA 98 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2b3x h ALA 98 CO 0.04 0.09 -0.67 0.00 0.00 0.00 0.00 179.25 178.70 2b3x h ALA 99 N 1.56 0.77 -0.52 0.00 0.00 -1.02 -2.67 119.26 117.38 2b3x h ALA 99 Ca 0.50 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2b3x h ALA 99 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2b3x h ALA 99 CO -0.31 0.78 0.02 0.52 0.00 0.00 0.00 179.25 180.25 2b3x h MET 100 N 0.15 0.87 -0.03 0.00 2.07 -0.02 -1.72 114.93 116.25 2b3x h MET 100 Ca -0.02 -0.24 0.00 0.00 -2.07 0.00 0.00 59.70 57.38 2b3x h MET 100 Cb 1.21 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.83 2b3x h MET 100 CO 0.10 0.86 0.01 0.00 1.07 0.00 0.00 176.91 178.95 2b3x h ARG 101 N 0.81 0.02 -0.49 1.72 3.08 -0.99 0.12 114.38 118.65 2b3x h ARG 101 Ca 0.16 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.30 2b3x h ARG 101 Cb 0.46 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 2b3x h ARG 101 CO 0.02 0.01 0.05 -0.44 -1.07 0.00 0.00 179.97 178.55 2b3x h ASP 102 N 0.02 -0.10 -0.65 7.04 3.32 -1.39 -1.32 116.42 123.33 2b3x h ASP 102 Ca 0.01 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 2b3x h ASP 102 Cb 0.01 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2b3x h ASP 102 CO -0.02 -0.02 0.08 0.00 -1.72 0.00 0.00 179.24 177.57 2b3x h ALA 103 N 1.41 0.87 -0.01 3.45 0.00 -0.89 -1.47 119.26 122.61 2b3x h ALA 103 Ca 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b3x h ALA 103 Cb 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2b3x h ALA 103 CO -0.37 0.65 0.00 0.28 0.00 0.00 0.00 179.25 179.82 2b3x h VAL 104 N 1.01 1.17 -0.80 0.00 2.07 -0.47 -2.69 116.25 116.55 2b3x h VAL 104 Ca 0.20 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.33 2b3x h VAL 104 Cb 0.47 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 2b3x h VAL 104 CO 0.02 0.13 0.43 0.50 0.02 0.00 0.00 177.57 178.67 2b3x h LYS 105 N -0.18 0.68 0.00 1.57 3.64 -1.14 -0.59 116.57 120.55 2b3x h LYS 105 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2b3x h LYS 105 Cb 0.21 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2b3x h LYS 105 CO -0.00 0.45 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.26 2b3x h LYS 106 N 0.70 0.00 -0.55 1.90 3.64 -1.12 -0.28 116.57 120.87 2b3x h LYS 106 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2b3x h LYS 106 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2b3x h LYS 106 CO -0.28 0.15 0.00 1.28 -2.27 0.00 0.00 179.45 178.33 2b3x n LEU 107 N -3.60 2.98 -0.61 5.20 4.77 -0.56 -4.93 117.00 120.25 2b3x n LEU 107 Ca -0.01 -1.49 -0.07 0.00 -0.03 0.00 0.00 56.01 54.41 2b3x n LEU 107 Cb 0.28 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2b3x n LEU 107 CO 0.31 0.63 -0.07 0.61 -1.33 0.00 0.00 177.39 177.53 2b3x n GLY 108 N 1.10 0.58 3.06 -0.72 0.00 -0.11 -4.98 105.19 104.11 2b3x n GLY 108 Ca 0.17 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 2b3x n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3x n GLY 109 N -1.72 1.22 3.53 -0.02 0.00 -0.34 -4.99 105.19 102.87 2b3x n GLY 109 Ca -0.07 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 2b3x n GLY 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b3x s ASP 110 N -4.04 6.18 0.59 1.61 2.15 -1.26 -4.22 116.67 117.68 2b3x s ASP 110 Ca 0.50 -0.34 0.32 0.00 0.43 0.00 0.00 52.55 53.46 2b3x s ASP 110 Cb -0.03 -2.20 1.87 0.00 -0.30 0.00 0.00 42.92 42.26 2b3x s ASP 110 CO 0.33 -0.38 2.25 -0.65 -0.17 0.00 0.00 175.17 176.54 2b3x h PRO 111 N 8.52 0.00 0.00 4.34 0.11 -1.91 -1.47 132.00 141.60 2b3x h PRO 111 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2b3x h PRO 111 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2b3x h PRO 111 CO 0.71 0.02 0.00 0.93 -0.21 0.00 0.00 178.00 179.45 2b3x h GLU 112 N 0.00 0.00 0.00 1.05 4.39 -1.95 -2.41 114.58 115.66 2b3x h GLU 112 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2b3x h GLU 112 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2b3x h GLU 112 CO 0.00 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.72 2b3x h LYS 113 N 0.00 0.00 -5.65 2.33 1.57 -1.66 -3.35 116.57 109.81 2b3x h LYS 113 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 2b3x h LYS 113 Cb 0.25 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.42 2b3x h LYS 113 CO 0.00 0.00 1.01 0.42 -0.57 0.00 0.00 179.45 180.31 2b3x s ILE 114 N -3.60 4.24 -0.25 1.86 1.09 -0.91 -4.92 121.20 118.72 2b3x s ILE 114 Ca 0.02 -0.77 -0.21 0.00 -1.10 0.00 0.00 60.65 58.58 2b3x s ILE 114 Cb 0.09 -4.87 0.07 0.00 -1.06 0.00 0.00 42.46 36.69 2b3x s ILE 114 CO 0.52 -1.68 0.65 0.20 -0.10 0.00 0.00 174.94 174.53 2b3x s ASN 115 N 4.08 -0.71 0.19 3.58 0.02 -1.26 -4.93 114.94 115.92 2b3x s ASN 115 Ca 0.35 1.33 -0.33 0.00 -1.02 0.00 0.00 52.86 53.19 2b3x s ASN 115 Cb -0.06 1.32 -0.13 0.00 0.02 0.00 0.00 41.25 42.40 2b3x s ASN 115 CO -0.02 -0.23 1.58 -2.65 0.02 0.00 0.00 177.10 175.80 2b3x n PRO 116 N 2.96 2.28 0.04 -0.60 -0.02 -1.26 -4.60 135.00 133.80 2b3x n PRO 116 Ca -0.15 0.82 0.11 0.00 -2.02 0.00 0.00 63.50 62.26 2b3x n PRO 116 Cb 0.56 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 2b3x n PRO 116 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2b3x n VAL 117 N 3.20 0.27 -4.13 -1.45 0.24 0.48 -4.63 118.33 112.32 2b3x n VAL 117 Ca 0.15 -0.51 -0.23 0.00 -2.04 0.00 0.00 64.34 61.71 2b3x n VAL 117 Cb 0.31 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.48 2b3x n VAL 117 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b3x s PRO 119 N -3.82 4.14 -0.03 0.00 0.02 -1.26 -4.86 135.00 129.19 2b3x s PRO 119 Ca 0.36 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.80 2b3x s PRO 119 Cb -0.04 -2.96 0.01 0.00 0.02 0.00 0.00 34.50 31.54 2b3x s PRO 119 CO 0.22 -0.44 -0.08 0.00 -0.33 0.00 0.00 177.00 176.38 2b3x s ALA 120 N -1.15 0.81 -0.06 -1.55 0.00 -0.30 -1.83 121.76 117.68 2b3x s ALA 120 Ca 0.53 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.27 2b3x s ALA 120 Cb -0.43 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2b3x s ALA 120 CO 0.58 0.10 -0.19 -0.51 0.00 0.00 0.00 175.76 175.74 2b3x s ASP 121 N 0.36 3.56 -0.13 0.00 1.01 -0.87 -1.54 116.67 119.07 2b3x s ASP 121 Ca -0.05 -0.36 0.03 0.00 0.71 0.00 0.00 52.55 52.87 2b3x s ASP 121 Cb -0.10 -0.87 0.01 0.00 1.01 0.00 0.00 42.92 42.97 2b3x s ASP 121 CO 0.01 0.28 -0.21 -0.22 0.21 0.00 0.00 175.17 175.24 2b3x s LEU 122 N -0.38 2.02 -0.14 1.23 0.20 0.39 0.20 118.68 122.20 2b3x s LEU 122 Ca 0.03 -0.56 -0.01 0.00 0.69 0.00 0.00 54.13 54.28 2b3x s LEU 122 Cb -0.12 -1.36 -0.02 0.00 -0.43 0.00 0.00 46.19 44.26 2b3x s LEU 122 CO 0.02 0.08 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.37 2b3x s VAL 123 N 0.79 3.29 -0.51 1.68 1.01 -0.32 -0.50 120.40 125.83 2b3x s VAL 123 Ca -0.09 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 2b3x s VAL 123 Cb -0.16 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 33.88 2b3x s VAL 123 CO -0.00 0.51 0.60 -0.63 0.00 0.00 0.00 175.10 175.57 2b3x s ILE 124 N 0.45 4.93 0.00 2.22 1.01 -0.89 -2.71 121.20 126.20 2b3x s ILE 124 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2b3x s ILE 124 Cb -0.15 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.02 2b3x s ILE 124 CO 0.04 -0.81 0.00 -0.90 0.00 0.00 0.00 174.94 173.28 2b3x n ASP 125 N 6.04 0.01 -0.47 3.58 5.68 -1.26 -4.24 116.55 125.88 2b3x n ASP 125 Ca -0.08 -0.01 0.13 0.00 -0.50 0.00 0.00 54.79 54.33 2b3x n ASP 125 Cb 0.45 0.02 0.33 0.00 -1.14 0.00 0.00 41.12 40.78 2b3x n ASP 125 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2b3x n HIS 126 N -0.02 0.00 0.00 2.11 8.25 -1.26 -1.01 115.22 123.29 2b3x n HIS 126 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2b3x n HIS 126 Cb 0.00 -0.04 -0.14 0.00 1.12 0.00 0.00 29.99 30.93 2b3x n HIS 126 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2b3x h SER 127 N 2.29 0.21 -3.82 0.41 0.02 -1.98 -3.47 113.55 107.22 2b3x h SER 127 Ca 0.00 -0.45 -0.51 0.00 -0.84 0.00 0.00 61.79 60.00 2b3x h SER 127 Cb 0.61 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.10 2b3x h SER 127 CO 0.00 1.40 0.48 -0.51 -1.14 0.00 0.00 176.83 177.06 2b3x s ILE 128 N -2.59 3.43 0.29 3.27 2.07 -1.26 -4.88 121.20 121.54 2b3x s ILE 128 Ca -0.12 1.44 0.12 0.00 -1.41 0.00 0.00 60.65 60.67 2b3x s ILE 128 Cb 0.07 -3.91 -0.05 0.00 0.13 0.00 0.00 42.46 38.70 2b3x s ILE 128 CO 0.81 0.34 -0.18 -1.10 -1.91 0.00 0.00 174.94 172.90 2b3x s GLN 129 N -1.49 1.72 -1.33 3.50 -0.21 -1.26 -4.20 119.66 116.40 2b3x s GLN 129 Ca 0.45 -1.78 -0.12 0.00 0.02 0.00 0.00 55.36 53.93 2b3x s GLN 129 Cb -0.32 -1.78 0.12 0.00 1.00 0.00 0.00 33.01 32.03 2b3x s GLN 129 CO 0.42 0.31 1.91 0.28 -2.12 0.00 0.00 175.29 176.08 2b3x n VAL 130 N -0.65 4.03 -0.04 1.09 0.31 -0.77 -4.68 118.33 117.62 2b3x n VAL 130 Ca -0.05 -4.01 -0.14 0.00 -0.01 0.00 0.00 64.34 60.13 2b3x n VAL 130 Cb 0.60 -2.45 -0.08 0.00 -0.91 0.00 0.00 33.84 31.01 2b3x n VAL 130 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2b3x h ASP 131 N 6.18 0.43 -4.12 4.52 3.32 -1.90 -3.33 116.42 121.53 2b3x h ASP 131 Ca 0.44 -0.58 -0.67 0.00 0.02 0.00 0.00 57.03 56.24 2b3x h ASP 131 Cb 0.69 -0.12 -0.24 0.00 0.22 0.00 0.00 39.33 39.87 2b3x h ASP 131 CO 1.63 0.93 -0.87 -0.36 -1.72 0.00 0.00 179.24 178.86 2b3x s PHE 132 N -3.90 2.22 0.29 4.55 0.40 -1.26 -4.77 117.98 115.51 2b3x s PHE 132 Ca -0.14 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.80 2b3x s PHE 132 Cb 0.05 -1.26 -0.02 0.00 0.51 0.00 0.00 43.02 42.29 2b3x s PHE 132 CO 0.77 0.22 0.31 0.54 0.70 0.00 0.00 175.22 177.77 2b3x s ASN 133 N -1.65 0.90 0.00 1.36 6.03 -1.26 -4.81 114.94 115.51 2b3x s ASN 133 Ca 0.12 -1.51 0.00 0.00 -1.03 0.00 0.00 52.86 50.44 2b3x s ASN 133 Cb -0.10 0.54 0.00 0.00 -3.03 0.00 0.00 41.25 38.67 2b3x s ASN 133 CO 0.04 -1.08 0.00 0.54 -2.03 0.00 0.00 177.10 174.57 2b3x n ARG 134 N -0.49 0.00 -4.44 3.55 1.74 -1.26 -4.87 116.66 110.89 2b3x n ARG 134 Ca 0.03 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.88 2b3x n ARG 134 Cb 0.63 -3.52 -0.10 0.00 -1.02 0.00 0.00 32.46 28.45 2b3x n ARG 134 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2b3x s ARG 135 N -0.51 1.58 0.43 5.56 0.52 -1.26 -4.86 118.95 120.41 2b3x s ARG 135 Ca 0.00 -1.70 0.12 0.00 -0.52 0.00 0.00 55.73 53.63 2b3x s ARG 135 Cb 0.00 -1.64 0.93 0.00 0.52 0.00 0.00 34.95 34.76 2b3x s ARG 135 CO 0.00 0.31 1.98 0.00 0.02 0.00 0.00 175.30 177.61 2b3x h ALA 136 N 2.47 1.65 -0.01 2.13 0.00 -1.93 -3.06 119.26 120.51 2b3x h ALA 136 Ca -0.40 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2b3x h ALA 136 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2b3x h ALA 136 CO 0.59 0.26 -0.19 -0.40 0.00 0.00 0.00 179.25 179.50 2b3x n ASP 137 N -4.34 0.70 0.13 0.00 5.75 -1.26 -4.20 116.55 113.33 2b3x n ASP 137 Ca -0.01 -0.66 0.05 0.00 -0.01 0.00 0.00 54.79 54.16 2b3x n ASP 137 Cb 0.23 0.02 0.50 0.00 -1.03 0.00 0.00 41.12 40.84 2b3x n ASP 137 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2b3x h SER 138 N 0.80 0.24 0.42 -1.12 4.64 -1.84 -2.28 113.55 114.40 2b3x h SER 138 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2b3x h SER 138 Cb 0.44 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2b3x h SER 138 CO 0.00 0.21 -0.29 0.25 -0.87 0.00 0.00 176.83 176.13 2b3x h LEU 139 N 0.27 -0.75 -0.61 5.97 5.85 -1.72 0.34 115.31 124.67 2b3x h LEU 139 Ca 0.07 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2b3x h LEU 139 Cb 0.04 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2b3x h LEU 139 CO -0.01 -0.45 0.37 1.56 -0.34 0.00 0.00 178.44 179.57 2b3x h GLN 140 N -0.70 0.69 -0.27 1.25 1.08 -1.81 -0.95 115.11 114.40 2b3x h GLN 140 Ca -0.04 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 2b3x h GLN 140 Cb 0.59 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2b3x h GLN 140 CO 0.02 0.46 -0.20 0.87 -0.95 0.00 0.00 178.83 179.03 2b3x h LYS 141 N 0.72 0.50 -0.08 1.46 1.57 -1.33 0.13 116.57 119.53 2b3x h LYS 141 Ca 0.25 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 2b3x h LYS 141 Cb 0.05 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.33 2b3x h LYS 141 CO -0.11 0.68 -0.59 -0.91 -0.57 0.00 0.00 179.45 177.95 2b3x h ASN 142 N 0.45 0.66 -0.75 0.86 2.35 -0.69 -2.60 115.58 115.87 2b3x h ASN 142 Ca 0.07 -0.67 -0.05 0.00 -0.55 0.00 0.00 56.30 55.11 2b3x h ASN 142 Cb 0.61 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 2b3x h ASN 142 CO 0.04 1.23 0.28 1.56 -1.65 0.00 0.00 177.43 178.89 2b3x h GLN 143 N 0.15 1.14 0.00 0.81 4.20 -1.09 -1.68 115.11 118.65 2b3x h GLN 143 Ca -0.05 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.46 2b3x h GLN 143 Cb 1.25 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 2b3x h GLN 143 CO 0.12 0.94 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.72 2b3x h ASP 144 N 1.11 -0.17 -0.68 1.46 3.32 -0.78 -2.14 116.42 118.53 2b3x h ASP 144 Ca 0.25 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.37 2b3x h ASP 144 Cb 0.24 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 2b3x h ASP 144 CO -0.02 -0.09 0.41 -0.07 -1.72 0.00 0.00 179.24 177.75 2b3x h LEU 145 N -0.11 0.66 -0.63 1.55 -0.00 -1.37 -2.29 115.31 113.11 2b3x h LEU 145 Ca 0.02 0.01 0.10 0.00 -0.00 0.00 0.00 57.88 58.01 2b3x h LEU 145 Cb 0.14 -0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 40.60 2b3x h LEU 145 CO -0.06 0.44 0.25 -0.08 -0.00 0.00 0.00 178.44 179.00 2b3x h GLU 146 N 0.79 0.43 -0.27 1.13 4.81 -1.06 -1.38 114.58 119.02 2b3x h GLU 146 Ca 0.29 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 2b3x h GLU 146 Cb 0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2b3x h GLU 146 CO -0.13 0.28 -0.20 0.35 -0.73 0.00 0.00 179.01 178.58 2b3x h PHE 147 N 0.44 0.73 -0.12 0.92 3.04 -0.89 -2.14 116.94 118.91 2b3x h PHE 147 Ca 0.32 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 62.07 2b3x h PHE 147 Cb 0.39 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 2b3x h PHE 147 CO -0.16 0.90 0.08 0.93 -2.02 0.00 0.00 178.31 178.04 2b3x h GLU 148 N 0.35 0.16 -0.03 1.11 5.08 -1.24 -1.18 114.58 118.84 2b3x h GLU 148 Ca 0.05 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2b3x h GLU 148 Cb 0.75 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2b3x h GLU 148 CO 0.05 0.12 -0.22 0.00 -1.00 0.00 0.00 179.01 177.97 2b3x h ARG 149 N 0.15 0.04 -0.08 2.33 3.08 -1.25 -3.33 114.38 115.32 2b3x h ARG 149 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2b3x h ARG 149 Cb -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2b3x h ARG 149 CO -0.01 0.26 0.00 0.09 -1.07 0.00 0.00 179.97 179.24 2b3x n ASN 150 N -4.26 2.06 -0.28 7.04 3.02 -0.81 -4.80 115.26 117.23 2b3x n ASN 150 Ca -0.02 -1.83 0.01 0.00 -0.03 0.00 0.00 54.58 52.71 2b3x n ASN 150 Cb 0.29 -0.05 0.08 0.00 -0.61 0.00 0.00 39.78 39.49 2b3x n ASN 150 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2b3x h ARG 151 N 0.57 -0.03 -0.66 3.52 2.43 -1.34 -1.07 114.38 117.81 2b3x h ARG 151 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2b3x h ARG 151 Cb 0.48 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2b3x h ARG 151 CO 0.00 -0.02 0.33 1.49 -1.51 0.00 0.00 179.97 180.26 2b3x h GLU 152 N -0.03 0.94 -0.38 0.20 4.81 -1.88 0.27 114.58 118.50 2b3x h GLU 152 Ca 0.36 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 2b3x h GLU 152 Cb 0.59 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2b3x h GLU 152 CO -0.83 0.73 -0.20 0.00 -0.73 0.00 0.00 179.01 177.98 2b3x h ARG 153 N 0.90 0.74 -0.53 1.92 3.08 -1.68 -1.97 114.38 116.84 2b3x h ARG 153 Ca 0.23 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2b3x h ARG 153 Cb 0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2b3x h ARG 153 CO -0.03 0.88 -0.11 0.74 -1.07 0.00 0.00 179.97 180.38 2b3x h PHE 154 N 0.65 1.12 -0.65 3.04 0.04 -0.88 -0.91 116.94 119.34 2b3x h PHE 154 Ca 0.10 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.60 2b3x h PHE 154 Cb 0.69 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 2b3x h PHE 154 CO 0.03 1.04 0.25 0.93 -0.60 0.00 0.00 178.31 179.97 2b3x h GLU 155 N 0.89 0.96 -0.38 1.51 5.08 -0.78 -1.05 114.58 120.80 2b3x h GLU 155 Ca 0.14 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 2b3x h GLU 155 Cb 0.67 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2b3x h GLU 155 CO 0.05 0.79 -0.37 0.35 -1.00 0.00 0.00 179.01 178.82 2b3x h PHE 156 N 0.94 1.11 -0.18 4.33 3.57 -1.09 -1.31 116.94 124.31 2b3x h PHE 156 Ca 0.22 -0.33 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 2b3x h PHE 156 Cb 0.19 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2b3x h PHE 156 CO 0.01 1.16 -0.13 -0.07 -2.23 0.00 0.00 178.31 177.05 2b3x h LEU 157 N 0.75 0.43 -0.70 0.59 3.38 -0.99 -0.93 115.31 117.83 2b3x h LEU 157 Ca 0.06 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.64 2b3x h LEU 157 Cb 0.97 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2b3x h LEU 157 CO 0.09 0.79 0.41 0.50 0.09 0.00 0.00 178.44 180.32 2b3x h LYS 158 N 0.08 0.74 0.07 1.13 3.64 -1.22 -1.38 116.57 119.63 2b3x h LYS 158 Ca 0.04 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2b3x h LYS 158 Cb 0.65 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 2b3x h LYS 158 CO 0.04 0.49 -0.42 2.35 -2.27 0.00 0.00 179.45 179.64 2b3x h TRP 159 N 0.76 -1.17 -0.80 1.91 7.01 -1.07 -2.84 115.95 119.75 2b3x h TRP 159 Ca 0.31 0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.52 2b3x h TRP 159 Cb 0.16 0.51 -0.15 0.00 -2.10 0.00 0.00 29.16 27.58 2b3x h TRP 159 CO -0.06 -0.51 -0.09 0.78 -2.79 0.00 0.00 178.44 175.77 2b3x h GLY 160 N -0.62 0.75 2.00 2.65 0.00 -0.26 0.92 103.07 108.52 2b3x h GLY 160 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2b3x h GLY 160 CO -0.27 -0.32 0.00 1.48 0.00 0.00 0.00 176.54 177.43 2b3x h SER 161 N 0.04 0.00 0.00 0.19 4.64 -1.04 -0.52 113.55 116.86 2b3x h SER 161 Ca 0.41 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.57 2b3x h SER 161 Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 2b3x h SER 161 CO -0.76 0.00 -2.00 0.00 -0.87 0.00 0.00 176.83 173.20 2b3x n GLN 162 N -2.61 0.94 0.03 4.77 6.02 0.18 -4.50 117.38 122.21 2b3x n GLN 162 Ca -0.01 -0.08 0.12 0.00 -0.01 0.00 0.00 57.00 57.02 2b3x n GLN 162 Cb 0.10 -1.43 0.14 0.00 1.02 0.00 0.00 30.24 30.07 2b3x n GLN 162 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b3x n ALA 163 N -2.40 3.34 -3.00 -1.58 0.00 -0.37 -4.84 120.51 111.67 2b3x n ALA 163 Ca -0.16 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.65 2b3x n ALA 163 Cb 0.78 -1.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.00 2b3x n ALA 163 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2b3x s PHE 164 N -3.12 2.01 0.60 0.00 0.40 -0.26 -4.97 117.98 112.63 2b3x s PHE 164 Ca 0.07 -0.66 -0.19 0.00 -0.60 0.00 0.00 56.93 55.55 2b3x s PHE 164 Cb 0.15 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.29 2b3x s PHE 164 CO 0.75 -0.24 1.27 -1.01 0.70 0.00 0.00 175.22 176.68 2b3x s HIS 165 N 0.13 2.28 -1.66 0.36 3.76 -1.26 -3.83 115.29 115.08 2b3x s HIS 165 Ca -0.08 1.47 -0.02 0.00 -0.15 0.00 0.00 55.06 56.28 2b3x s HIS 165 Cb -0.14 -3.62 0.00 0.00 1.11 0.00 0.00 32.58 29.93 2b3x s HIS 165 CO 0.04 -2.59 0.24 0.09 -0.85 0.00 0.00 174.74 171.68 2b3x n ASN 166 N -1.52 -5.91 -4.23 1.40 3.02 -1.26 -3.99 115.26 102.77 2b3x n ASN 166 Ca 0.13 -0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 2b3x n ASN 166 Cb 0.48 -4.84 -0.12 0.00 -0.61 0.00 0.00 39.78 34.69 2b3x n ASN 166 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2b3x s MET 167 N -5.28 2.49 -0.12 3.52 -1.94 -1.25 -1.15 119.30 115.56 2b3x s MET 167 Ca 0.12 -1.33 -0.09 0.00 -1.71 0.00 0.00 55.69 52.68 2b3x s MET 167 Cb -0.05 -3.45 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 2b3x s MET 167 CO 0.15 -0.75 0.19 0.50 -0.01 0.00 0.00 175.02 175.10 2b3x s ARG 168 N 1.33 3.74 -0.14 2.03 3.52 -0.59 -4.76 118.95 124.07 2b3x s ARG 168 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.52 2b3x s ARG 168 Cb -0.20 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 2b3x s ARG 168 CO 0.01 0.62 -0.08 0.42 -0.81 0.00 0.00 175.30 175.45 2b3x s ILE 169 N -0.61 3.50 -0.39 4.11 1.01 -1.26 -0.46 121.20 127.10 2b3x s ILE 169 Ca 0.15 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 2b3x s ILE 169 Cb -0.13 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.85 2b3x s ILE 169 CO 0.04 0.51 0.32 -0.63 0.00 0.00 0.00 174.94 175.18 2b3x s ILE 170 N 0.34 5.22 1.11 2.92 -1.09 0.34 -4.84 121.20 125.20 2b3x s ILE 170 Ca -0.07 -0.40 -0.15 0.00 -2.23 0.00 0.00 60.65 57.80 2b3x s ILE 170 Cb -0.15 -3.89 0.24 0.00 -1.58 0.00 0.00 42.46 37.08 2b3x s ILE 170 CO 0.04 -0.24 1.08 -2.16 -1.23 0.00 0.00 174.94 172.44 2b3x s PRO 171 N 1.83 -0.45 0.65 2.79 0.04 -1.26 -2.11 135.00 136.50 2b3x s PRO 171 Ca 0.08 0.37 -0.18 0.00 0.04 0.00 0.00 61.00 61.30 2b3x s PRO 171 Cb -0.18 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 2b3x s PRO 171 CO 0.11 -3.29 1.28 -2.30 0.04 0.00 0.00 177.00 172.84 2b3x n PRO 172 N -4.54 1.09 -0.55 0.56 -0.02 -1.26 -3.49 135.00 126.79 2b3x n PRO 172 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2b3x n PRO 172 Cb 0.58 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2b3x n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b3x n GLY 173 N 0.93 0.75 0.11 -1.23 0.00 -1.26 -4.92 105.19 99.58 2b3x n GLY 173 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 2b3x n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b3x n SER 174 N 0.00 1.41 0.00 1.61 7.64 -1.23 -4.79 113.62 118.26 2b3x n SER 174 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2b3x n SER 174 Cb 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2b3x n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b3x n GLY 175 N 1.87 0.98 3.70 0.23 0.00 -1.26 -4.07 105.19 106.65 2b3x n GLY 175 Ca -0.30 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 2b3x n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b3x s ILE 176 N -2.59 4.39 0.24 -0.61 1.01 -0.10 -4.45 121.20 119.09 2b3x s ILE 176 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 2b3x s ILE 176 Cb 0.00 -2.86 0.28 0.00 0.01 0.00 0.00 42.46 39.89 2b3x s ILE 176 CO 0.00 0.59 1.55 -0.29 0.00 0.00 0.00 174.94 176.80 2b3x h ILE 177 N 4.10 0.01 -0.03 2.92 2.10 -1.89 -0.73 117.51 123.99 2b3x h ILE 177 Ca -0.51 0.00 -0.18 0.00 1.08 0.00 0.00 64.86 65.25 2b3x h ILE 177 Cb 1.19 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.92 2b3x h ILE 177 CO 0.55 0.00 -0.77 0.45 -1.08 0.00 0.00 178.15 177.30 2b3x h HIS 178 N -0.00 0.33 -0.14 2.19 3.86 -1.95 0.31 115.15 119.74 2b3x h HIS 178 Ca 0.37 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 2b3x h HIS 178 Cb 0.62 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 2b3x h HIS 178 CO -0.85 0.92 -0.03 0.37 0.86 0.00 0.00 177.93 179.20 2b3x h GLN 179 N 0.15 0.26 -0.15 2.45 4.15 -1.67 -1.13 115.11 119.18 2b3x h GLN 179 Ca -0.03 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 2b3x h GLN 179 Cb 1.35 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 2b3x h GLN 179 CO 0.12 0.54 -0.09 0.28 -1.93 0.00 0.00 178.83 177.75 2b3x h VAL 180 N -0.04 1.15 -0.23 2.39 2.07 -1.11 -1.05 116.25 119.43 2b3x h VAL 180 Ca 0.04 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2b3x h VAL 180 Cb 0.44 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2b3x h VAL 180 CO 0.01 0.21 0.03 -1.13 0.02 0.00 0.00 177.57 176.71 2b3x h ASN 181 N 0.22 0.37 -0.53 0.57 -0.00 -0.74 -0.46 115.58 115.01 2b3x h ASN 181 Ca 0.05 -0.27 -0.05 0.00 -0.00 0.00 0.00 56.30 56.03 2b3x h ASN 181 Cb 0.30 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.50 2b3x h ASN 181 CO 0.02 0.54 0.13 -0.07 -0.00 0.00 0.00 177.43 178.05 2b3x h LEU 182 N 0.19 0.79 0.00 0.34 3.38 -0.72 0.05 115.31 119.34 2b3x h LEU 182 Ca 0.07 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2b3x h LEU 182 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2b3x h LEU 182 CO 0.01 0.82 -1.12 -0.33 0.09 0.00 0.00 178.44 177.90 2b3x h GLU 183 N 0.74 0.00 0.00 1.13 5.08 -1.21 -3.44 114.58 116.88 2b3x h GLU 183 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2b3x h GLU 183 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2b3x h GLU 183 CO 0.00 0.19 -0.02 0.98 -1.00 0.00 0.00 179.01 179.16 2b3x n TYR 184 N -2.85 -1.36 0.02 4.33 9.36 -0.27 -4.93 117.16 121.45 2b3x n TYR 184 Ca -0.04 0.24 -0.06 0.00 3.32 0.00 0.00 57.90 61.36 2b3x n TYR 184 Cb 0.71 0.53 0.14 0.00 -0.63 0.00 0.00 39.34 40.09 2b3x n TYR 184 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2b3x h LEU 185 N 0.00 0.51 -9.86 2.98 3.38 -1.27 -3.45 115.31 107.60 2b3x h LEU 185 Ca 0.00 -0.22 -0.53 0.00 0.09 0.00 0.00 57.88 57.22 2b3x h LEU 185 Cb 0.02 -0.14 0.09 0.00 0.09 0.00 0.00 40.66 40.71 2b3x h LEU 185 CO 0.00 0.85 0.80 0.00 0.09 0.00 0.00 178.44 180.19 2b3x s ALA 186 N -4.24 3.64 -0.19 1.53 0.00 0.00 -4.94 121.76 117.56 2b3x s ALA 186 Ca -0.07 1.51 0.10 0.00 0.00 0.00 0.00 51.96 53.51 2b3x s ALA 186 Cb 0.13 -3.60 -0.22 0.00 0.00 0.00 0.00 23.12 19.42 2b3x s ALA 186 CO 0.81 -0.95 0.10 0.54 0.00 0.00 0.00 175.76 176.25 2b3x n ARG 187 N 1.36 0.68 0.00 0.00 3.00 -1.26 -4.99 116.66 115.45 2b3x n ARG 187 Ca 0.04 0.11 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 2b3x n ARG 187 Cb 0.39 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.27 2b3x n ARG 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2b3x n VAL 188 N -3.01 0.00 -3.74 1.55 0.31 -1.26 -4.71 118.33 107.47 2b3x n VAL 188 Ca -0.34 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.79 2b3x n VAL 188 Cb 1.08 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.84 2b3x n VAL 188 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2b3x s VAL 189 N 0.00 0.05 0.34 2.52 1.01 -1.26 -1.36 120.40 121.70 2b3x s VAL 189 Ca 0.00 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 2b3x s VAL 189 Cb 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 2b3x s VAL 189 CO 0.00 0.19 1.04 -0.36 0.00 0.00 0.00 175.10 175.96 2b3x s PHE 190 N 1.86 3.50 -0.31 5.22 0.40 0.13 -4.81 117.98 123.97 2b3x s PHE 190 Ca 0.02 1.71 0.03 0.00 -0.60 0.00 0.00 56.93 58.09 2b3x s PHE 190 Cb -0.12 -3.12 0.08 0.00 0.51 0.00 0.00 43.02 40.37 2b3x s PHE 190 CO -0.03 -0.36 -0.01 0.34 0.70 0.00 0.00 175.22 175.86 2b3x s ASP 191 N -1.33 4.60 -0.13 1.36 2.15 -1.26 -2.27 116.67 119.79 2b3x s ASP 191 Ca 0.51 -1.83 -0.04 0.00 0.43 0.00 0.00 52.55 51.62 2b3x s ASP 191 Cb -0.25 -1.57 0.06 0.00 -0.30 0.00 0.00 42.92 40.87 2b3x s ASP 191 CO 0.31 -0.31 0.16 -1.58 -0.17 0.00 0.00 175.17 173.58 2b3x s GLN 192 N 1.01 0.07 -1.49 4.34 2.00 -0.01 -4.91 119.66 120.67 2b3x s GLN 192 Ca 0.03 0.33 -0.10 0.00 -2.00 0.00 0.00 55.36 53.62 2b3x s GLN 192 Cb -0.19 -0.85 0.07 0.00 0.80 0.00 0.00 33.01 32.84 2b3x s GLN 192 CO -0.07 -0.47 0.86 -0.25 -0.50 0.00 0.00 175.29 174.86 2b3x n ASP 193 N 5.31 -3.54 0.00 6.67 8.00 -1.26 -0.75 116.55 130.98 2b3x n ASP 193 Ca -0.05 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2b3x n ASP 193 Cb 0.50 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 2b3x n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b3x n GLY 194 N -1.66 0.56 3.08 0.44 0.00 -1.26 -5.02 105.19 101.32 2b3x n GLY 194 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2b3x n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b3x s TYR 195 N -2.12 1.85 0.04 1.61 1.51 0.07 0.31 117.35 120.63 2b3x s TYR 195 Ca 0.00 -0.76 -0.18 0.00 -1.01 0.00 0.00 57.07 55.13 2b3x s TYR 195 Cb 0.00 -1.31 -0.06 0.00 -0.11 0.00 0.00 41.96 40.47 2b3x s TYR 195 CO 0.00 -0.36 0.51 0.71 -1.11 0.00 0.00 175.55 175.30 2b3x s TYR 196 N 0.68 3.77 0.16 2.71 2.02 0.46 -0.83 117.35 126.33 2b3x s TYR 196 Ca -0.13 1.17 -0.22 0.00 -0.37 0.00 0.00 57.07 57.51 2b3x s TYR 196 Cb -0.16 -2.42 0.07 0.00 -0.40 0.00 0.00 41.96 39.04 2b3x s TYR 196 CO 0.04 0.60 0.59 1.52 -1.57 0.00 0.00 175.55 176.73 2b3x s TYR 197 N -1.07 -0.51 0.24 2.71 1.13 -0.96 -4.52 117.35 114.37 2b3x s TYR 197 Ca 0.27 0.28 -0.30 0.00 -1.41 0.00 0.00 57.07 55.91 2b3x s TYR 197 Cb -0.18 0.54 -0.10 0.00 -1.10 0.00 0.00 41.96 41.12 2b3x s TYR 197 CO 0.17 -0.85 1.39 -2.14 -2.51 0.00 0.00 175.55 171.61 2b3x s PRO 198 N -3.76 4.31 0.33 -3.49 0.02 -1.26 0.18 135.00 131.33 2b3x s PRO 198 Ca 0.01 2.22 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 2b3x s PRO 198 Cb -0.01 -3.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.26 2b3x s PRO 198 CO -0.12 -0.35 1.43 -3.47 -0.33 0.00 0.00 177.00 174.15 2b3x n ASP 199 N 2.32 3.28 -3.54 2.53 -0.08 -0.46 -4.67 116.55 115.93 2b3x n ASP 199 Ca 0.06 1.19 -0.15 0.00 -1.51 0.00 0.00 54.79 54.39 2b3x n ASP 199 Cb 0.41 -1.54 -0.05 0.00 2.34 0.00 0.00 41.12 42.28 2b3x n ASP 199 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2b3x s SER 200 N -0.00 -0.51 0.12 1.67 1.04 -1.26 -4.10 113.70 110.66 2b3x s SER 200 Ca 0.58 0.27 -0.20 0.00 0.48 0.00 0.00 55.95 57.09 2b3x s SER 200 Cb -0.54 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.15 2b3x s SER 200 CO 0.58 -0.73 0.51 -1.48 0.98 0.00 0.00 173.24 173.09 2b3x s LEU 201 N -1.91 -0.10 -0.01 2.42 2.34 -0.07 -1.95 118.68 119.41 2b3x s LEU 201 Ca -0.06 -0.08 0.08 0.00 0.06 0.00 0.00 54.13 54.13 2b3x s LEU 201 Cb -0.01 2.22 -0.02 0.00 -0.56 0.00 0.00 46.19 47.82 2b3x s LEU 201 CO -0.01 -0.87 -0.26 0.68 -1.06 0.00 0.00 176.35 174.83 2b3x s VAL 202 N -3.49 2.04 0.16 1.48 -7.23 -1.06 -2.55 120.40 109.75 2b3x s VAL 202 Ca 0.00 -1.15 0.09 0.00 -1.81 0.00 0.00 61.98 59.11 2b3x s VAL 202 Cb 0.00 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2b3x s VAL 202 CO -0.10 0.53 -0.20 -0.83 -0.31 0.00 0.00 175.10 174.19 2b3x s GLY 203 N -0.72 1.44 -1.27 2.32 0.00 -0.83 -1.84 107.32 106.42 2b3x s GLY 203 Ca 0.10 -1.49 -0.06 0.00 0.00 0.00 0.00 44.72 43.27 2b3x s GLY 203 CO -0.00 -1.52 2.09 -1.30 0.00 0.00 0.00 173.10 172.36 2b3x n THR 204 N 0.41 4.97 -3.57 0.90 -2.24 -0.55 -0.63 114.28 113.57 2b3x n THR 204 Ca -0.14 -4.59 0.00 0.00 -2.27 0.00 0.00 64.05 57.06 2b3x n THR 204 Cb 0.56 -2.15 -0.06 0.00 -2.10 0.00 0.00 70.33 66.59 2b3x n THR 204 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2b3x s ASP 205 N 0.26 -0.32 0.60 3.42 -1.08 -1.26 -4.47 116.67 113.82 2b3x s ASP 205 Ca 0.46 0.49 0.35 0.00 -0.52 0.00 0.00 52.55 53.33 2b3x s ASP 205 Cb 0.14 1.19 1.92 0.00 -1.46 0.00 0.00 42.92 44.71 2b3x s ASP 205 CO -0.04 -0.08 2.24 0.77 0.52 0.00 0.00 175.17 178.58 2b3x h SER 206 N 6.01 0.00 -0.40 -0.34 4.64 -1.89 -2.05 113.55 119.53 2b3x h SER 206 Ca -0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2b3x h SER 206 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2b3x h SER 206 CO 0.18 0.03 0.00 1.41 -0.87 0.00 0.00 176.83 177.58 2b3x n HIS 207 N -3.48 1.46 0.28 4.77 8.25 -1.26 -4.30 115.22 120.94 2b3x n HIS 207 Ca -0.02 -0.50 0.15 0.00 -0.26 0.00 0.00 57.72 57.08 2b3x n HIS 207 Cb 0.13 -0.39 0.89 0.00 1.12 0.00 0.00 29.99 31.74 2b3x n HIS 207 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2b3x h THR 208 N 2.78 0.54 0.00 1.59 2.02 -1.70 -2.19 112.91 115.95 2b3x h THR 208 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2b3x h THR 208 Cb 1.54 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2b3x h THR 208 CO 0.35 0.00 0.20 0.71 0.37 0.00 0.00 175.52 177.15 2b3x h THR 209 N 0.00 0.00 -0.68 3.16 1.35 -1.75 -2.32 112.91 112.67 2b3x h THR 209 Ca 0.01 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.00 2b3x h THR 209 Cb 0.08 0.43 -0.04 0.00 -1.73 0.00 0.00 68.15 66.89 2b3x h THR 209 CO -0.00 0.00 0.46 -0.03 -0.25 0.00 0.00 175.52 175.70 2b3x h MET 210 N 0.00 0.38 0.00 4.72 -1.53 -1.48 -0.05 114.93 116.98 2b3x h MET 210 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 2b3x h MET 210 Cb 0.41 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 2b3x h MET 210 CO 0.00 0.25 0.00 0.97 0.14 0.00 0.00 176.91 178.27 2b3x h ILE 211 N 0.39 0.00 0.00 1.77 6.09 -1.68 -2.17 117.51 121.91 2b3x h ILE 211 Ca 0.32 -0.32 -0.01 0.00 -1.37 0.00 0.00 64.86 63.49 2b3x h ILE 211 Cb 0.73 1.27 -0.00 0.00 0.47 0.00 0.00 36.82 39.28 2b3x h ILE 211 CO -0.09 0.00 -0.02 0.44 -3.07 0.00 0.00 178.15 175.40 2b3x h ASP 212 N 0.00 0.00 0.29 2.19 3.32 -0.96 -1.96 116.42 119.29 2b3x h ASP 212 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2b3x h ASP 212 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2b3x h ASP 212 CO 0.00 0.02 -0.18 1.23 -1.72 0.00 0.00 179.24 178.59 2b3x h GLY 213 N 0.62 0.00 -1.00 2.75 0.00 -1.54 -1.70 103.07 102.21 2b3x h GLY 213 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b3x h GLY 213 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 2b3x n LEU 214 N -4.00 2.00 0.00 3.11 7.94 -0.74 -4.59 117.00 120.71 2b3x n LEU 214 Ca -0.02 -0.74 0.00 0.00 -1.11 0.00 0.00 56.01 54.14 2b3x n LEU 214 Cb 0.27 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.16 2b3x n LEU 214 CO 0.34 0.37 0.00 0.61 -1.11 0.00 0.00 177.39 177.60 2b3x n GLY 215 N 1.23 0.58 3.65 -3.96 0.00 -0.79 -4.61 105.19 101.29 2b3x n GLY 215 Ca 0.17 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 2b3x n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b3x s ILE 216 N -2.00 5.28 -0.09 -0.61 1.01 -1.18 -4.60 121.20 119.00 2b3x s ILE 216 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 2b3x s ILE 216 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2b3x s ILE 216 CO 0.00 0.27 1.28 -0.22 0.00 0.00 0.00 174.94 176.28 2b3x s LEU 217 N 1.39 4.25 -0.25 2.97 2.96 -1.26 -3.21 118.68 125.54 2b3x s LEU 217 Ca 0.12 1.84 -0.27 0.00 -0.22 0.00 0.00 54.13 55.60 2b3x s LEU 217 Cb -0.15 -3.55 0.14 0.00 0.50 0.00 0.00 46.19 43.14 2b3x s LEU 217 CO 0.07 -0.70 1.13 -0.83 -1.32 0.00 0.00 176.35 174.71 2b3x s GLY 218 N 1.85 -0.07 0.20 7.98 0.00 -1.25 -0.89 107.32 115.14 2b3x s GLY 218 Ca 0.58 2.66 -0.11 0.00 0.00 0.00 0.00 44.72 47.84 2b3x s GLY 218 CO 0.20 1.54 0.39 0.66 0.00 0.00 0.00 173.10 175.89 2b3x s TRP 219 N -0.33 0.32 0.24 1.90 -2.14 -1.06 -4.04 118.94 113.83 2b3x s TRP 219 Ca 0.03 -0.68 -0.30 0.00 2.66 0.00 0.00 56.10 57.82 2b3x s TRP 219 Cb -0.03 0.09 -0.09 0.00 -3.10 0.00 0.00 33.47 30.34 2b3x s TRP 219 CO -0.06 -0.85 1.12 0.20 -2.66 0.00 0.00 176.95 174.71 2b3x s GLY 220 N -2.98 2.94 0.21 3.67 0.00 -1.25 -1.97 107.32 107.95 2b3x s GLY 220 Ca 0.18 0.90 0.06 0.00 0.00 0.00 0.00 44.72 45.86 2b3x s GLY 220 CO 0.03 1.61 -0.08 -1.34 0.00 0.00 0.00 173.10 173.32 2b3x s VAL 221 N -0.74 1.38 0.73 1.40 -7.23 0.19 -4.88 120.40 111.25 2b3x s VAL 221 Ca 0.47 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 2b3x s VAL 221 Cb -0.32 -2.13 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2b3x s VAL 221 CO 0.39 -0.53 1.09 -0.83 -0.31 0.00 0.00 175.10 174.92 2b3x s GLY 222 N -3.29 1.83 0.28 2.32 0.00 -1.26 -4.13 107.32 103.06 2b3x s GLY 222 Ca 0.23 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.31 2b3x s GLY 222 CO 0.06 0.68 1.74 -1.33 0.00 0.00 0.00 173.10 174.25 2b3x h GLY 223 N -0.70 1.49 1.49 0.20 0.00 -1.92 -1.85 103.07 101.79 2b3x h GLY 223 Ca -0.45 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 2b3x h GLY 223 CO 0.53 -0.13 -0.25 0.16 0.00 0.00 0.00 176.54 176.85 2b3x h ILE 224 N 0.55 1.27 -0.39 2.60 3.07 -1.97 -1.28 117.51 121.36 2b3x h ILE 224 Ca 0.52 -1.31 -0.06 0.00 1.55 0.00 0.00 64.86 65.56 2b3x h ILE 224 Cb 0.85 1.31 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 2b3x h ILE 224 CO -0.43 0.42 0.01 -0.08 -1.05 0.00 0.00 178.15 177.03 2b3x h GLU 225 N 0.51 0.68 -0.77 0.16 4.81 -1.81 -1.90 114.58 116.27 2b3x h GLU 225 Ca 0.07 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2b3x h GLU 225 Cb 0.70 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2b3x h GLU 225 CO 0.05 0.77 0.50 0.00 -0.73 0.00 0.00 179.01 179.61 2b3x h ALA 226 N 0.89 1.58 -0.18 2.92 0.00 -0.94 -1.01 119.26 122.51 2b3x h ALA 226 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2b3x h ALA 226 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2b3x h ALA 226 CO 0.02 0.33 -0.06 0.93 0.00 0.00 0.00 179.25 180.47 2b3x h GLU 227 N 0.90 0.36 -0.51 0.00 5.08 -1.06 0.27 114.58 119.63 2b3x h GLU 227 Ca 0.31 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 2b3x h GLU 227 Cb 0.11 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 2b3x h GLU 227 CO -0.10 0.64 0.09 0.00 -1.00 0.00 0.00 179.01 178.64 2b3x h ALA 228 N 0.72 0.57 -0.39 3.43 0.00 -1.02 -1.07 119.26 121.50 2b3x h ALA 228 Ca 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2b3x h ALA 228 Cb 0.51 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2b3x h ALA 228 CO 0.02 -0.32 0.20 0.28 0.00 0.00 0.00 179.25 179.43 2b3x h VAL 229 N 0.22 1.16 0.00 0.00 2.07 -1.08 -1.68 116.25 116.95 2b3x h VAL 229 Ca 0.26 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2b3x h VAL 229 Cb 0.36 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2b3x h VAL 229 CO -0.35 0.17 -0.05 0.24 0.02 0.00 0.00 177.57 177.60 2b3x h MET 230 N 0.49 0.00 -0.37 1.57 2.07 -0.43 -0.74 114.93 117.52 2b3x h MET 230 Ca 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 2b3x h MET 230 Cb 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.82 2b3x h MET 230 CO -0.02 0.05 0.00 1.28 1.07 0.00 0.00 176.91 179.29 2b3x n LEU 231 N -4.45 1.66 0.00 1.22 4.77 -0.45 -0.39 117.00 119.37 2b3x n LEU 231 Ca -0.03 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2b3x n LEU 231 Cb 0.13 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2b3x n LEU 231 CO 0.34 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2b3x n GLY 232 N 0.81 0.54 3.67 -0.72 0.00 -0.29 -4.91 105.19 104.30 2b3x n GLY 232 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2b3x n GLY 232 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2b3x s GLN 233 N -0.89 4.31 0.39 1.61 2.00 -0.68 -5.00 119.66 121.40 2b3x s GLN 233 Ca 0.00 1.03 -0.26 0.00 -2.00 0.00 0.00 55.36 54.13 2b3x s GLN 233 Cb 0.00 -3.57 -0.09 0.00 0.80 0.00 0.00 33.01 30.16 2b3x s GLN 233 CO 0.00 -0.31 1.24 -1.25 -0.50 0.00 0.00 175.29 174.47 2b3x s PRO 234 N 2.07 4.07 0.30 1.67 0.04 -1.26 -3.80 135.00 138.09 2b3x s PRO 234 Ca 0.39 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 2b3x s PRO 234 Cb -0.17 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 2b3x s PRO 234 CO 0.13 -0.36 1.41 0.42 0.04 0.00 0.00 177.00 178.64 2b3x s ILE 235 N -1.31 2.53 -0.17 0.56 1.01 0.70 -4.78 121.20 119.74 2b3x s ILE 235 Ca 0.56 0.49 -0.05 0.00 0.00 0.00 0.00 60.65 61.65 2b3x s ILE 235 Cb -0.35 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2b3x s ILE 235 CO 0.44 0.10 -0.01 -0.55 0.00 0.00 0.00 174.94 174.92 2b3x s SER 236 N -0.01 4.94 -0.01 3.58 0.15 -1.26 -0.33 113.70 120.76 2b3x s SER 236 Ca 0.55 -0.11 -0.09 0.00 0.70 0.00 0.00 55.95 57.00 2b3x s SER 236 Cb -0.42 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 62.07 2b3x s SER 236 CO 0.50 0.14 0.17 0.00 1.20 0.00 0.00 173.24 175.26 2b3x s MET 237 N 0.52 0.50 0.33 5.44 0.23 -0.83 -4.98 119.30 120.51 2b3x s MET 237 Ca -0.02 -0.30 -0.29 0.00 -1.03 0.00 0.00 55.69 54.06 2b3x s MET 237 Cb -0.14 0.21 -0.10 0.00 -1.53 0.00 0.00 34.83 33.27 2b3x s MET 237 CO 0.02 -0.12 1.35 0.08 -2.03 0.00 0.00 175.02 174.33 2b3x s VAL 238 N -1.24 2.58 -0.10 5.16 1.01 -1.26 0.02 120.40 126.57 2b3x s VAL 238 Ca -0.13 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 2b3x s VAL 238 Cb -0.07 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2b3x s VAL 238 CO 0.02 0.13 1.79 -0.22 0.00 0.00 0.00 175.10 176.83 2b3x s LEU 239 N -1.73 4.12 0.54 3.92 2.96 -0.24 -4.84 118.68 123.41 2b3x s LEU 239 Ca 0.50 2.13 -0.17 0.00 -0.22 0.00 0.00 54.13 56.38 2b3x s LEU 239 Cb -0.41 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.69 2b3x s LEU 239 CO 0.54 -1.18 1.02 -2.16 -1.32 0.00 0.00 176.35 173.25 2b3x s PRO 240 N 4.61 3.67 0.57 0.98 0.04 -1.26 -4.69 135.00 138.93 2b3x s PRO 240 Ca 0.80 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 2b3x s PRO 240 Cb -0.33 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2b3x s PRO 240 CO 0.33 -0.51 1.03 -0.65 0.04 0.00 0.00 177.00 177.24 2b3x s GLN 241 N -3.97 3.53 -0.21 4.56 -0.21 -1.26 -4.85 119.66 117.24 2b3x s GLN 241 Ca 0.62 1.08 -0.00 0.00 0.02 0.00 0.00 55.36 57.08 2b3x s GLN 241 Cb -0.13 -2.07 0.06 0.00 1.00 0.00 0.00 33.01 31.87 2b3x s GLN 241 CO 0.32 -0.63 -0.03 0.08 -2.12 0.00 0.00 175.29 172.91 2b3x s VAL 242 N -2.58 1.18 -0.12 1.09 1.01 -1.26 -0.90 120.40 118.82 2b3x s VAL 242 Ca 0.61 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2b3x s VAL 242 Cb -0.14 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2b3x s VAL 242 CO 0.37 -0.10 1.13 -0.63 0.00 0.00 0.00 175.10 175.87 2b3x s ILE 243 N 1.56 4.49 -0.16 2.22 -1.09 0.82 -1.98 121.20 127.06 2b3x s ILE 243 Ca -0.03 1.79 -0.27 0.00 -2.23 0.00 0.00 60.65 59.90 2b3x s ILE 243 Cb -0.18 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.54 2b3x s ILE 243 CO -0.07 -0.05 0.92 -0.83 -1.23 0.00 0.00 174.94 173.68 2b3x s GLY 244 N 1.39 2.11 -0.39 6.18 0.00 0.10 -0.99 107.32 115.74 2b3x s GLY 244 Ca 0.51 0.16 -0.09 0.00 0.00 0.00 0.00 44.72 45.30 2b3x s GLY 244 CO 0.17 1.83 0.21 -0.47 0.00 0.00 0.00 173.10 174.84 2b3x s TYR 245 N 2.28 3.28 -0.29 1.90 5.04 0.11 -1.11 117.35 128.57 2b3x s TYR 245 Ca 0.42 -1.29 -0.19 0.00 -2.44 0.00 0.00 57.07 53.58 2b3x s TYR 245 Cb -0.17 -2.62 -0.02 0.00 0.35 0.00 0.00 41.96 39.50 2b3x s TYR 245 CO 0.13 -0.75 0.56 0.50 -1.34 0.00 0.00 175.55 174.66 2b3x s ARG 246 N 1.47 3.95 -0.14 4.97 3.52 -0.17 -1.82 118.95 130.73 2b3x s ARG 246 Ca 0.02 0.26 -0.11 0.00 -0.13 0.00 0.00 55.73 55.76 2b3x s ARG 246 Cb -0.21 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 2b3x s ARG 246 CO 0.04 -0.48 0.24 -0.51 -0.81 0.00 0.00 175.30 173.78 2b3x s LEU 247 N 2.44 4.30 0.14 -0.88 1.43 -0.21 -0.37 118.68 125.53 2b3x s LEU 247 Ca 0.23 0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.87 2b3x s LEU 247 Cb -0.15 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2b3x s LEU 247 CO 0.11 0.22 -0.11 -0.04 0.23 0.00 0.00 176.35 176.76 2b3x s MET 248 N -0.13 1.03 2.36 1.70 -1.94 -0.56 -1.30 119.30 120.47 2b3x s MET 248 Ca 0.15 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 2b3x s MET 248 Cb -0.13 -0.69 0.00 0.00 2.01 0.00 0.00 34.83 36.02 2b3x s MET 248 CO 0.04 0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 2b3x n GLY 249 N 0.06 -0.44 3.24 -0.03 0.00 -1.26 -0.90 105.19 105.86 2b3x n GLY 249 Ca -0.12 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 2b3x n GLY 249 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b3x s LYS 250 N 0.00 1.97 0.45 1.61 2.47 -1.26 -4.47 119.74 120.52 2b3x s LYS 250 Ca 0.00 -0.80 -0.23 0.00 -1.56 0.00 0.00 55.97 53.38 2b3x s LYS 250 Cb 0.00 -1.82 -0.08 0.00 -1.46 0.00 0.00 37.83 34.47 2b3x s LYS 250 CO 0.00 0.43 1.15 -1.25 0.16 0.00 0.00 175.35 175.84 2b3x s PRO 251 N -0.38 3.81 0.42 4.03 0.04 -1.26 -2.70 135.00 138.97 2b3x s PRO 251 Ca 0.04 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 2b3x s PRO 251 Cb -0.10 -2.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.92 2b3x s PRO 251 CO 0.00 -0.50 1.23 1.58 0.04 0.00 0.00 177.00 179.35 2b3x n HIS 252 N -0.43 1.96 0.31 0.56 -0.00 -1.26 -4.89 115.22 111.47 2b3x n HIS 252 Ca 0.07 0.51 0.17 0.00 0.46 0.00 0.00 57.72 58.93 2b3x n HIS 252 Cb 0.48 -2.35 0.87 0.00 -0.12 0.00 0.00 29.99 28.87 2b3x n HIS 252 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2b3x h PRO 253 N 1.98 0.00 -0.20 1.57 0.11 -2.00 -0.69 132.00 132.78 2b3x h PRO 253 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2b3x h PRO 253 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2b3x h PRO 253 CO 0.59 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.66 2b3x n LEU 254 N -3.04 2.38 -4.70 2.35 4.77 -1.26 -2.35 117.00 115.14 2b3x n LEU 254 Ca -0.01 -0.95 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 2b3x n LEU 254 Cb 0.36 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 2b3x n LEU 254 CO 0.16 0.48 0.53 -0.69 -1.33 0.00 0.00 177.39 176.54 2b3x s VAL 255 N -1.76 4.96 0.51 4.08 1.01 -0.27 -4.92 120.40 124.01 2b3x s VAL 255 Ca 0.34 1.68 -0.03 0.00 0.00 0.00 0.00 61.98 63.97 2b3x s VAL 255 Cb 0.20 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2b3x s VAL 255 CO 0.29 0.17 0.78 0.42 0.00 0.00 0.00 175.10 176.77 2b3x s THR 256 N 1.15 4.08 -0.26 3.92 -4.23 -1.26 -4.94 115.64 114.10 2b3x s THR 256 Ca 0.42 -0.17 0.25 0.00 -1.18 0.00 0.00 61.69 61.02 2b3x s THR 256 Cb -0.18 -3.56 0.27 0.00 1.34 0.00 0.00 72.50 70.36 2b3x s THR 256 CO 0.20 -0.49 1.77 0.77 -0.54 0.00 0.00 174.62 176.32 2b3x h SER 257 N 0.15 0.00 -0.06 3.99 4.64 -1.97 -2.66 113.55 117.64 2b3x h SER 257 Ca -0.46 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.61 2b3x h SER 257 Cb 1.24 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2b3x h SER 257 CO 0.60 0.00 -0.91 0.74 -0.87 0.00 0.00 176.83 176.38 2b3x h THR 258 N 0.00 1.28 -0.75 2.95 2.02 -1.97 -2.40 112.91 114.04 2b3x h THR 258 Ca 0.00 -2.12 0.06 0.00 0.77 0.00 0.00 66.41 65.12 2b3x h THR 258 Cb 0.24 2.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 2b3x h THR 258 CO 0.00 0.66 0.44 0.44 0.37 0.00 0.00 175.52 177.43 2b3x h ASP 259 N 0.43 0.68 0.08 4.18 3.32 -1.76 -1.61 116.42 121.74 2b3x h ASP 259 Ca -0.10 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2b3x h ASP 259 Cb 1.56 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2b3x h ASP 259 CO 0.18 0.44 -0.04 0.40 -1.72 0.00 0.00 179.24 178.50 2b3x h ILE 260 N 0.81 1.07 -0.43 0.35 2.04 -1.50 -2.06 117.51 117.80 2b3x h ILE 260 Ca 0.33 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 2b3x h ILE 260 Cb 0.17 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2b3x h ILE 260 CO -0.17 0.13 -0.06 1.62 0.00 0.00 0.00 178.15 179.67 2b3x h VAL 261 N -0.34 1.24 -0.66 1.67 3.04 -1.32 -0.57 116.25 119.32 2b3x h VAL 261 Ca -0.01 -1.05 -0.04 0.00 -1.01 0.00 0.00 66.70 64.58 2b3x h VAL 261 Cb 0.29 0.98 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 2b3x h VAL 261 CO 0.02 0.36 0.24 -0.07 -1.01 0.00 0.00 177.57 177.11 2b3x h LEU 262 N 0.68 0.90 -0.15 3.16 4.07 -1.26 -0.47 115.31 122.23 2b3x h LEU 262 Ca 0.13 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 2b3x h LEU 262 Cb 0.50 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 2b3x h LEU 262 CO 0.03 0.81 -0.07 0.74 -1.08 0.00 0.00 178.44 178.87 2b3x h THR 263 N 0.95 1.31 -0.76 0.22 2.02 -0.82 -2.88 112.91 112.95 2b3x h THR 263 Ca 0.22 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 2b3x h THR 263 Cb 0.21 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 2b3x h THR 263 CO -0.02 0.32 0.38 0.40 0.37 0.00 0.00 175.52 176.97 2b3x h ILE 264 N -0.00 1.24 0.61 3.11 2.04 -0.97 -1.86 117.51 121.67 2b3x h ILE 264 Ca 0.04 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2b3x h ILE 264 Cb 0.53 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2b3x h ILE 264 CO 0.02 0.28 -0.32 0.74 0.00 0.00 0.00 178.15 178.86 2b3x h THR 265 N 1.07 0.34 -0.59 -0.27 2.02 -1.09 0.98 112.91 115.38 2b3x h THR 265 Ca 0.26 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.55 2b3x h THR 265 Cb 0.09 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 66.76 2b3x h THR 265 CO -0.04 0.00 0.15 0.50 0.37 0.00 0.00 175.52 176.50 2b3x h LYS 266 N -0.86 0.28 0.17 6.66 3.64 -1.41 -0.68 116.57 124.37 2b3x h LYS 266 Ca -0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2b3x h LYS 266 Cb 0.68 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2b3x h LYS 266 CO 0.12 0.19 -0.08 1.25 -2.27 0.00 0.00 179.45 178.65 2b3x h HIS 267 N 0.29 -0.21 -0.30 1.91 2.76 -1.15 -2.63 115.15 115.83 2b3x h HIS 267 Ca 0.30 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 2b3x h HIS 267 Cb 0.43 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 2b3x h HIS 267 CO -0.22 0.09 -0.04 -0.07 -1.30 0.00 0.00 177.93 176.38 2b3x h LEU 268 N -0.50 0.44 -1.74 0.26 3.38 -0.69 -1.42 115.31 115.04 2b3x h LEU 268 Ca -0.02 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2b3x h LEU 268 Cb 0.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2b3x h LEU 268 CO 0.04 0.54 0.10 0.03 0.09 0.00 0.00 178.44 179.24 2b3x h ARG 269 N 0.45 0.27 0.00 1.13 2.47 -1.09 -0.64 114.38 116.96 2b3x h ARG 269 Ca 0.09 -0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.66 2b3x h ARG 269 Cb 0.36 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 2b3x h ARG 269 CO 0.02 0.21 -0.69 1.96 0.56 0.00 0.00 179.97 182.02 2b3x h GLN 270 N 0.28 0.00 0.05 0.04 4.20 -0.91 -3.25 115.11 115.52 2b3x h GLN 270 Ca 0.07 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.55 2b3x h GLN 270 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2b3x h GLN 270 CO -0.01 0.59 -1.08 0.28 -0.67 0.00 0.00 178.83 177.93 2b3x h VAL 271 N 0.00 1.60 -2.92 -0.54 2.07 -1.10 -3.50 116.25 111.86 2b3x h VAL 271 Ca -0.02 -3.18 0.00 0.00 0.82 0.00 0.00 66.70 64.32 2b3x h VAL 271 Cb 1.49 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 34.10 2b3x h VAL 271 CO 0.08 0.92 -0.33 0.61 0.02 0.00 0.00 177.57 178.86 2b3x n GLY 272 N 1.36 -3.80 0.71 2.17 0.00 -0.27 -5.01 105.19 100.35 2b3x n GLY 272 Ca -0.04 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.70 2b3x n GLY 272 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2b3x n VAL 273 N 0.60 0.98 -1.90 1.61 0.24 -1.25 -5.05 118.33 113.55 2b3x n VAL 273 Ca -0.01 -1.60 -0.42 0.00 -2.04 0.00 0.00 64.34 60.27 2b3x n VAL 273 Cb 0.01 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 2b3x n VAL 273 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2b3x s VAL 274 N -1.45 2.47 0.00 3.34 1.01 -1.25 -2.24 120.40 122.28 2b3x s VAL 274 Ca 0.26 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2b3x s VAL 274 Cb 0.26 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2b3x s VAL 274 CO -0.06 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2b3x n GLY 275 N 3.24 0.72 3.43 4.51 0.00 -1.25 -5.04 105.19 110.81 2b3x n GLY 275 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2b3x n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3x s LYS 276 N -0.18 1.56 0.10 1.61 1.02 -0.95 -4.56 119.74 118.35 2b3x s LYS 276 Ca 0.00 -1.62 -0.17 0.00 0.02 0.00 0.00 55.97 54.19 2b3x s LYS 276 Cb 0.00 -1.76 -0.07 0.00 -0.52 0.00 0.00 37.83 35.49 2b3x s LYS 276 CO 0.00 0.36 0.56 -0.06 -0.92 0.00 0.00 175.35 175.29 2b3x s PHE 277 N -2.09 3.73 -0.17 3.18 0.40 -0.08 -0.75 117.98 122.20 2b3x s PHE 277 Ca 0.24 1.19 -0.03 0.00 -0.60 0.00 0.00 56.93 57.74 2b3x s PHE 277 Cb -0.06 -2.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.00 2b3x s PHE 277 CO 0.12 0.53 -0.07 0.08 0.70 0.00 0.00 175.22 176.58 2b3x s VAL 278 N -1.25 3.44 -0.10 -0.44 1.01 0.21 -0.13 120.40 123.14 2b3x s VAL 278 Ca 0.32 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2b3x s VAL 278 Cb -0.18 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2b3x s VAL 278 CO 0.19 0.47 -0.19 -0.70 0.00 0.00 0.00 175.10 174.87 2b3x s GLU 279 N 0.81 3.02 0.14 2.72 2.12 -0.16 -0.33 118.70 127.02 2b3x s GLU 279 Ca -0.02 -0.80 -0.11 0.00 0.36 0.00 0.00 54.97 54.40 2b3x s GLU 279 Cb -0.15 -2.40 -0.06 0.00 0.26 0.00 0.00 34.13 31.78 2b3x s GLU 279 CO 0.01 0.27 0.48 -0.06 -0.54 0.00 0.00 175.26 175.43 2b3x s PHE 280 N 0.14 3.54 0.24 5.30 0.40 -0.51 0.07 117.98 127.15 2b3x s PHE 280 Ca -0.10 0.88 -0.11 0.00 -0.60 0.00 0.00 56.93 57.00 2b3x s PHE 280 Cb -0.16 -2.24 0.04 0.00 0.51 0.00 0.00 43.02 41.18 2b3x s PHE 280 CO 0.06 0.42 0.56 1.97 0.70 0.00 0.00 175.22 178.93 2b3x n PHE 281 N 0.53 -1.76 0.00 0.36 1.16 -0.76 -4.66 117.46 112.34 2b3x n PHE 281 Ca -0.04 -1.16 0.00 0.00 -1.87 0.00 0.00 57.45 54.37 2b3x n PHE 281 Cb 0.52 0.58 0.00 0.00 -1.61 0.00 0.00 39.48 38.97 2b3x n PHE 281 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2b3x n GLY 282 N -0.38 2.18 0.26 4.97 0.00 -1.26 -1.05 105.19 109.91 2b3x n GLY 282 Ca -0.05 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 44.01 2b3x n GLY 282 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2b3x h PRO 283 N 0.00 0.14 -0.31 1.61 0.11 -1.67 -3.02 132.00 128.88 2b3x h PRO 283 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 2b3x h PRO 283 Cb 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 2b3x h PRO 283 CO 0.00 0.17 0.07 0.78 -0.21 0.00 0.00 178.00 178.81 2b3x h GLY 284 N 0.34 0.48 1.02 -0.55 0.00 -1.42 -3.06 103.07 99.89 2b3x h GLY 284 Ca 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2b3x h GLY 284 CO 0.00 0.23 0.44 -2.08 0.00 0.00 0.00 176.54 175.13 2b3x h VAL 285 N 0.44 1.25 0.00 4.60 2.07 -1.73 -2.69 116.25 120.19 2b3x h VAL 285 Ca 0.10 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2b3x h VAL 285 Cb 0.18 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2b3x h VAL 285 CO -0.00 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 177.86 2b3x h ALA 286 N 1.24 1.69 0.00 1.67 0.00 -1.71 -1.04 119.26 121.10 2b3x h ALA 286 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2b3x h ALA 286 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2b3x h ALA 286 CO -0.04 0.01 -0.12 -0.56 0.00 0.00 0.00 179.25 178.53 2b3x h GLN 287 N 0.00 0.00 -6.04 0.00 3.07 -1.62 -3.45 115.11 107.07 2b3x h GLN 287 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.17 2b3x h GLN 287 Cb 0.02 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.52 2b3x h GLN 287 CO 0.00 0.00 0.36 -0.51 0.09 0.00 0.00 178.83 178.77 2b3x s LEU 288 N -4.93 4.22 1.05 0.06 1.02 -0.40 -5.06 118.68 114.65 2b3x s LEU 288 Ca 0.09 1.26 -0.12 0.00 0.02 0.00 0.00 54.13 55.38 2b3x s LEU 288 Cb 0.11 -3.28 0.22 0.00 0.02 0.00 0.00 46.19 43.26 2b3x s LEU 288 CO 0.64 -0.34 1.07 -0.94 0.02 0.00 0.00 176.35 176.79 2b3x s SER 289 N 1.08 2.05 0.12 2.29 1.04 -1.26 -4.80 113.70 114.21 2b3x s SER 289 Ca 0.41 1.49 -0.16 0.00 0.48 0.00 0.00 55.95 58.17 2b3x s SER 289 Cb -0.17 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 2b3x s SER 289 CO 0.15 -3.53 1.58 0.40 0.98 0.00 0.00 173.24 172.82 2b3x h ILE 290 N -2.17 1.25 -0.63 -1.02 1.08 -1.90 -1.15 117.51 112.97 2b3x h ILE 290 Ca -0.56 -0.92 0.13 0.00 -0.39 0.00 0.00 64.86 63.12 2b3x h ILE 290 Cb 1.32 1.12 -0.11 0.00 -3.07 0.00 0.00 36.82 36.08 2b3x h ILE 290 CO 0.52 0.31 0.01 0.00 -0.69 0.00 0.00 178.15 178.30 2b3x h ALA 291 N 0.89 0.63 -0.65 1.87 0.00 -1.93 0.18 119.26 120.25 2b3x h ALA 291 Ca 0.11 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2b3x h ALA 291 Cb 0.42 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2b3x h ALA 291 CO 0.01 -0.39 0.43 -0.44 0.00 0.00 0.00 179.25 178.86 2b3x h ASP 292 N 0.12 0.73 -0.63 0.00 3.32 -1.76 -2.18 116.42 116.02 2b3x h ASP 292 Ca 0.33 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 2b3x h ASP 292 Cb 0.54 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2b3x h ASP 292 CO -0.53 0.52 0.16 0.03 -1.72 0.00 0.00 179.24 177.70 2b3x h ARG 293 N 0.86 1.00 -0.52 3.56 3.08 -0.33 -2.64 114.38 119.40 2b3x h ARG 293 Ca 0.24 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2b3x h ARG 293 Cb -0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2b3x h ARG 293 CO -0.06 0.90 0.06 0.00 -1.07 0.00 0.00 179.97 179.81 2b3x h ALA 294 N 1.05 1.14 -0.41 0.04 0.00 -0.55 -0.32 119.26 120.22 2b3x h ALA 294 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2b3x h ALA 294 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2b3x h ALA 294 CO 0.00 0.57 0.21 1.15 0.00 0.00 0.00 179.25 181.18 2b3x h THR 295 N 0.79 1.16 -0.45 0.00 2.02 -1.22 0.48 112.91 115.68 2b3x h THR 295 Ca 0.16 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 2b3x h THR 295 Cb 0.38 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2b3x h THR 295 CO 0.01 0.17 0.11 0.40 0.37 0.00 0.00 175.52 176.58 2b3x h ILE 296 N 0.52 1.23 -0.11 3.11 2.04 -1.13 -3.07 117.51 120.11 2b3x h ILE 296 Ca 0.14 -0.81 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 2b3x h ILE 296 Cb 0.08 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2b3x h ILE 296 CO -0.02 0.29 -0.41 0.00 0.00 0.00 0.00 178.15 178.00 2b3x h ALA 297 N 0.97 1.09 -0.65 1.87 0.00 -0.88 -3.20 119.26 118.46 2b3x h ALA 297 Ca 0.14 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.73 2b3x h ALA 297 Cb 0.32 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2b3x h ALA 297 CO 0.00 0.59 0.27 -0.97 0.00 0.00 0.00 179.25 179.15 2b3x h ASN 298 N 0.21 0.31 -0.16 0.00 -0.73 0.06 -2.79 115.58 112.49 2b3x h ASN 298 Ca 0.02 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2b3x h ASN 298 Cb 0.82 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.45 2b3x h ASN 298 CO 0.06 0.18 0.00 0.23 -0.37 0.00 0.00 177.43 177.53 2b3x n MET 299 N -4.95 1.98 -0.28 6.67 2.81 -1.21 -4.36 117.12 117.78 2b3x n MET 299 Ca 0.10 -0.82 0.03 0.00 -1.81 0.00 0.00 57.70 55.19 2b3x n MET 299 Cb 0.28 -1.65 0.17 0.00 -0.71 0.00 0.00 33.22 31.30 2b3x n MET 299 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b3x h PRO 301 N 0.75 0.00 0.00 0.00 0.13 -1.78 -1.90 132.00 129.20 2b3x h PRO 301 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 2b3x h PRO 301 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2b3x h PRO 301 CO -0.26 0.35 0.00 0.93 -0.23 0.00 0.00 178.00 178.80 2b3x h GLU 302 N 0.00 0.00 -0.08 0.86 3.07 -1.55 -2.89 114.58 113.99 2b3x h GLU 302 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2b3x h GLU 302 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2b3x h GLU 302 CO 0.05 0.00 0.00 2.48 -1.40 0.00 0.00 179.01 180.14 2b3x n TYR 303 N -2.32 0.11 -0.57 4.33 0.18 -1.10 -4.88 117.16 112.90 2b3x n TYR 303 Ca 0.03 -0.27 0.00 0.00 1.88 0.00 0.00 57.90 59.54 2b3x n TYR 303 Cb 0.27 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 2b3x n TYR 303 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2b3x n GLY 304 N 0.09 0.78 3.83 -7.48 0.00 -0.74 -4.36 105.19 97.30 2b3x n GLY 304 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2b3x n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3x s ALA 305 N -3.06 2.89 -0.05 4.61 0.00 -1.02 -3.86 121.76 121.26 2b3x s ALA 305 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.88 2b3x s ALA 305 Cb 0.00 -3.16 -0.23 0.00 0.00 0.00 0.00 23.12 19.73 2b3x s ALA 305 CO 0.00 -0.72 1.05 1.15 0.00 0.00 0.00 175.76 177.24 2b3x h THR 306 N 0.17 1.54 -3.73 0.00 2.02 -1.19 -3.40 112.91 108.33 2b3x h THR 306 Ca -0.46 -1.81 -0.18 0.00 0.77 0.00 0.00 66.41 64.74 2b3x h THR 306 Cb 1.20 2.69 -0.23 0.00 -1.74 0.00 0.00 68.15 70.08 2b3x h THR 306 CO 0.59 0.49 -0.62 0.00 0.37 0.00 0.00 175.52 176.35 2b3x s ALA 307 N -3.28 -0.09 -0.60 6.16 0.00 -1.26 -4.79 121.76 117.91 2b3x s ALA 307 Ca -0.16 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.60 2b3x s ALA 307 Cb 0.01 0.06 0.15 0.00 0.00 0.00 0.00 23.12 23.34 2b3x s ALA 307 CO 0.72 -0.14 0.37 0.00 0.00 0.00 0.00 175.76 176.71 2b3x s ALA 308 N -1.00 3.53 -0.07 0.00 0.00 -1.25 -0.62 121.76 122.35 2b3x s ALA 308 Ca -0.11 -3.48 -0.24 0.00 0.00 0.00 0.00 51.96 48.13 2b3x s ALA 308 Cb -0.07 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 2b3x s ALA 308 CO 0.00 -2.06 0.74 0.12 0.00 0.00 0.00 175.76 174.56 2b3x s PHE 309 N -0.68 3.58 -0.36 0.00 5.36 0.54 -4.44 117.98 121.99 2b3x s PHE 309 Ca 0.20 1.30 -0.00 0.00 -0.96 0.00 0.00 56.93 57.47 2b3x s PHE 309 Cb -0.18 -2.86 0.09 0.00 -0.34 0.00 0.00 43.02 39.74 2b3x s PHE 309 CO -0.06 0.05 0.10 -0.06 -1.46 0.00 0.00 175.22 173.79 2b3x s PHE 310 N 0.92 3.57 0.57 10.12 0.40 -0.71 -1.42 117.98 131.43 2b3x s PHE 310 Ca 0.39 -2.51 -0.18 0.00 -0.60 0.00 0.00 56.93 54.03 2b3x s PHE 310 Cb -0.18 -2.86 -0.08 0.00 0.51 0.00 0.00 43.02 40.41 2b3x s PHE 310 CO 0.19 -0.93 0.64 -2.30 0.70 0.00 0.00 175.22 173.52 2b3x n PRO 311 N 4.48 0.61 -1.82 0.24 -0.02 -1.26 -2.61 135.00 134.61 2b3x n PRO 311 Ca -0.03 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 2b3x n PRO 311 Cb 0.42 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2b3x n PRO 311 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2b3x s VAL 312 N -1.66 2.93 0.00 -1.45 1.01 -1.26 -4.74 120.40 115.23 2b3x s VAL 312 Ca 0.70 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2b3x s VAL 312 Cb -0.44 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2b3x s VAL 312 CO 0.53 -0.01 0.00 -0.90 0.00 0.00 0.00 175.10 174.72 2b3x n ASP 313 N 6.12 0.70 0.12 3.32 5.75 -1.26 0.03 116.55 131.32 2b3x n ASP 313 Ca 0.17 -0.34 -0.02 0.00 -0.01 0.00 0.00 54.79 54.59 2b3x n ASP 313 Cb 0.40 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.67 2b3x n ASP 313 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2b3x h GLU 314 N 0.00 0.10 -0.80 0.11 4.57 -1.95 -2.54 114.58 114.07 2b3x h GLU 314 Ca 0.00 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2b3x h GLU 314 Cb 0.00 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 2b3x h GLU 314 CO 0.00 0.64 0.53 0.28 -1.18 0.00 0.00 179.01 179.28 2b3x h VAL 315 N 0.07 1.12 -0.35 0.32 2.07 -1.96 -2.00 116.25 115.53 2b3x h VAL 315 Ca -0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2b3x h VAL 315 Cb 1.03 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2b3x h VAL 315 CO 0.08 0.18 0.11 0.28 0.02 0.00 0.00 177.57 178.24 2b3x h SER 316 N 0.97 0.50 -0.20 0.57 0.02 -1.84 -2.00 113.55 111.56 2b3x h SER 316 Ca 0.32 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2b3x h SER 316 Cb 0.07 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2b3x h SER 316 CO -0.10 0.56 0.10 0.40 -1.14 0.00 0.00 176.83 176.65 2b3x h ILE 317 N 0.41 0.99 -0.37 3.27 1.08 -1.23 -2.17 117.51 119.49 2b3x h ILE 317 Ca 0.11 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 2b3x h ILE 317 Cb 0.24 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 2b3x h ILE 317 CO -0.00 0.04 0.16 0.71 -0.69 0.00 0.00 178.15 178.37 2b3x h THR 318 N 0.21 1.14 -0.67 -0.27 1.35 -1.30 -0.54 112.91 112.83 2b3x h THR 318 Ca 0.08 -0.40 -0.04 0.00 -0.55 0.00 0.00 66.41 65.50 2b3x h THR 318 Cb 0.02 0.68 -0.03 0.00 -1.73 0.00 0.00 68.15 67.09 2b3x h THR 318 CO -0.06 0.16 0.26 0.22 -0.25 0.00 0.00 175.52 175.85 2b3x h TYR 319 N 0.51 0.99 -0.54 4.73 3.20 -0.97 0.01 116.97 124.89 2b3x h TYR 319 Ca 0.13 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2b3x h TYR 319 Cb 0.08 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 2b3x h TYR 319 CO 0.00 0.76 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.16 2b3x h LEU 320 N 0.96 0.99 -0.48 2.82 3.38 -0.50 -1.22 115.31 121.27 2b3x h LEU 320 Ca 0.22 -0.33 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 2b3x h LEU 320 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2b3x h LEU 320 CO -0.02 1.08 -0.43 1.62 0.09 0.00 0.00 178.44 180.79 2b3x h VAL 321 N 0.87 1.29 -0.44 1.22 3.04 -1.22 -1.84 116.25 119.16 2b3x h VAL 321 Ca 0.15 -1.61 -0.02 0.00 -1.01 0.00 0.00 66.70 64.21 2b3x h VAL 321 Cb 0.61 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 2b3x h VAL 321 CO 0.04 0.52 0.20 -0.61 -1.01 0.00 0.00 177.57 176.71 2b3x h GLN 322 N 0.63 0.62 -0.46 4.17 4.15 -0.82 -2.31 115.11 121.09 2b3x h GLN 322 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2b3x h GLN 322 Cb 0.99 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2b3x h GLN 322 CO 0.09 0.50 0.00 0.25 -1.93 0.00 0.00 178.83 177.74 2b3x n THR 323 N -4.38 0.70 -2.69 2.39 -2.24 -0.47 -2.62 114.28 104.95 2b3x n THR 323 Ca 0.03 -0.57 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 2b3x n THR 323 Cb 0.13 0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.53 2b3x n THR 323 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b3x n GLY 324 N 0.99 0.12 3.77 3.38 0.00 -0.87 -4.71 105.19 107.87 2b3x n GLY 324 Ca 0.13 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2b3x n GLY 324 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b3x s ARG 325 N -5.18 4.29 0.30 1.61 3.00 -0.71 -4.89 118.95 117.38 2b3x s ARG 325 Ca 0.17 2.05 -0.29 0.00 0.00 0.00 0.00 55.73 57.66 2b3x s ARG 325 Cb -0.07 -2.97 -0.13 0.00 0.00 0.00 0.00 34.95 31.78 2b3x s ARG 325 CO 0.21 -0.18 1.27 -3.47 0.00 0.00 0.00 175.30 173.13 2b3x n ASP 326 N 0.63 2.49 0.27 0.23 -0.08 -1.26 -4.78 116.55 114.05 2b3x n ASP 326 Ca 0.01 1.18 0.14 0.00 -1.51 0.00 0.00 54.79 54.62 2b3x n ASP 326 Cb 0.44 -1.43 0.77 0.00 2.34 0.00 0.00 41.12 43.24 2b3x n ASP 326 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2b3x h GLU 327 N 2.95 0.00 0.18 -0.67 4.57 -1.98 -1.15 114.58 118.48 2b3x h GLU 327 Ca -0.45 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 2b3x h GLU 327 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2b3x h GLU 327 CO 0.66 0.09 -0.09 0.93 -1.18 0.00 0.00 179.01 179.43 2b3x h GLU 328 N 0.00 -0.24 -0.62 1.92 4.39 -2.02 -2.68 114.58 115.34 2b3x h GLU 328 Ca -0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2b3x h GLU 328 Cb 0.33 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2b3x h GLU 328 CO 0.01 -0.07 0.41 0.87 -1.16 0.00 0.00 179.01 179.08 2b3x h LYS 329 N -0.36 0.82 -0.47 2.33 6.56 -1.81 -3.11 116.57 120.53 2b3x h LYS 329 Ca -0.03 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2b3x h LYS 329 Cb 0.28 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 2b3x h LYS 329 CO 0.04 0.54 0.31 1.25 -2.06 0.00 0.00 179.45 179.53 2b3x h LEU 330 N 0.84 0.53 0.65 2.94 5.85 -1.13 -1.66 115.31 123.35 2b3x h LEU 330 Ca 0.23 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2b3x h LEU 330 Cb -0.09 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.81 2b3x h LEU 330 CO -0.05 0.39 -0.31 0.11 -0.34 0.00 0.00 178.44 178.23 2b3x h LYS 331 N 0.63 -0.85 0.00 1.25 1.79 -1.40 -3.26 116.57 114.74 2b3x h LYS 331 Ca 0.17 0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.69 2b3x h LYS 331 Cb -0.06 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2b3x h LYS 331 CO -0.04 -0.56 -0.07 0.10 -1.08 0.00 0.00 179.45 177.81 2b3x h TYR 332 N -0.91 0.00 0.61 -1.35 -0.00 -1.58 -2.82 116.97 110.93 2b3x h TYR 332 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.61 2b3x h TYR 332 Cb 0.68 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.42 2b3x h TYR 332 CO -0.02 0.07 -0.29 0.82 -0.00 0.00 0.00 178.16 178.73 2b3x h ILE 333 N 0.00 0.37 -0.15 -0.90 2.04 -1.35 0.47 117.51 117.99 2b3x h ILE 333 Ca -0.00 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2b3x h ILE 333 Cb 0.77 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2b3x h ILE 333 CO 0.01 0.02 0.01 0.50 0.00 0.00 0.00 178.15 178.69 2b3x h LYS 334 N -0.91 0.25 -0.98 2.37 3.64 -1.62 -2.48 116.57 116.84 2b3x h LYS 334 Ca -0.08 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 2b3x h LYS 334 Cb 0.66 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 2b3x h LYS 334 CO 0.14 0.46 0.65 -0.22 -2.27 0.00 0.00 179.45 178.21 2b3x h LYS 335 N 0.01 1.22 -0.34 1.90 3.64 -1.54 -0.91 116.57 120.56 2b3x h LYS 335 Ca 0.04 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2b3x h LYS 335 Cb 0.34 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2b3x h LYS 335 CO 0.01 0.81 0.10 -0.92 -2.27 0.00 0.00 179.45 177.17 2b3x h TYR 336 N 1.26 0.56 -0.21 1.91 3.20 -0.87 -2.50 116.97 120.31 2b3x h TYR 336 Ca 0.39 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 2b3x h TYR 336 Cb -0.02 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2b3x h TYR 336 CO -0.00 0.55 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.61 2b3x h LEU 337 N 0.40 0.50 -0.46 2.82 3.38 -0.90 -1.17 115.31 119.88 2b3x h LEU 337 Ca 0.11 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2b3x h LEU 337 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2b3x h LEU 337 CO -0.00 0.85 0.06 1.56 0.09 0.00 0.00 178.44 180.99 2b3x h GLN 338 N 0.39 0.78 -0.12 1.13 4.20 -1.24 0.11 115.11 120.36 2b3x h GLN 338 Ca 0.04 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.37 2b3x h GLN 338 Cb 0.87 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2b3x h GLN 338 CO 0.07 0.80 -0.60 0.00 -0.67 0.00 0.00 178.83 178.43 2b3x h ALA 339 N 0.94 0.75 0.00 3.87 0.00 -1.12 -3.10 119.26 120.61 2b3x h ALA 339 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2b3x h ALA 339 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2b3x h ALA 339 CO 0.01 0.71 -0.54 1.55 0.00 0.00 0.00 179.25 180.99 2b3x n VAL 340 N -3.90 0.35 -0.90 0.00 3.14 -0.47 -4.66 118.33 111.89 2b3x n VAL 340 Ca -0.03 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2b3x n VAL 340 Cb 0.62 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 2b3x n VAL 340 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2b3x n GLY 341 N 1.35 1.08 0.66 7.55 0.00 -0.67 -4.35 105.19 110.80 2b3x n GLY 341 Ca 0.04 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.63 2b3x n GLY 341 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2b3x n MET 342 N -1.32 1.71 -3.81 1.61 2.81 0.28 -4.96 117.12 113.44 2b3x n MET 342 Ca 0.00 -3.07 -0.36 0.00 -1.81 0.00 0.00 57.70 52.45 2b3x n MET 342 Cb 0.20 -1.67 -0.13 0.00 -0.71 0.00 0.00 33.22 30.91 2b3x n MET 342 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 2b3x s PHE 343 N -3.13 3.06 0.22 2.03 5.36 -1.04 -4.36 117.98 120.12 2b3x s PHE 343 Ca 0.39 -0.72 -0.06 0.00 -0.96 0.00 0.00 56.93 55.58 2b3x s PHE 343 Cb 0.36 -2.20 -0.06 0.00 -0.34 0.00 0.00 43.02 40.78 2b3x s PHE 343 CO -0.02 -0.47 0.49 0.50 -1.46 0.00 0.00 175.22 174.26 2b3x s ARG 344 N 1.54 3.67 -0.24 10.12 6.06 0.10 -4.92 118.95 135.28 2b3x s ARG 344 Ca 0.05 0.02 -0.01 0.00 -2.50 0.00 0.00 55.73 53.30 2b3x s ARG 344 Cb -0.15 -2.72 0.07 0.00 0.06 0.00 0.00 34.95 32.20 2b3x s ARG 344 CO 0.01 0.33 0.01 0.34 -2.50 0.00 0.00 175.30 173.49 2b3x s ASP 345 N -2.73 3.61 0.23 -2.12 -1.08 -1.26 -4.41 116.67 108.92 2b3x s ASP 345 Ca 0.44 -1.18 0.25 0.00 -0.52 0.00 0.00 52.55 51.54 2b3x s ASP 345 Cb -0.11 -0.95 0.89 0.00 -1.46 0.00 0.00 42.92 41.28 2b3x s ASP 345 CO 0.26 -0.30 1.75 0.49 0.52 0.00 0.00 175.17 177.89 2b3x n PHE 346 N 4.81 0.89 -0.55 -5.34 3.72 -1.26 -2.69 117.46 117.04 2b3x n PHE 346 Ca -0.09 0.29 -0.07 0.00 -0.05 0.00 0.00 57.45 57.54 2b3x n PHE 346 Cb 0.45 -0.98 0.21 0.00 -0.94 0.00 0.00 39.48 38.22 2b3x n PHE 346 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2b3x n ASN 347 N -2.26 4.03 -3.72 4.37 3.02 -1.26 -4.01 115.26 115.43 2b3x n ASN 347 Ca 0.04 -2.97 -0.29 0.00 -0.03 0.00 0.00 54.58 51.33 2b3x n ASN 347 Cb 0.35 -0.70 -0.15 0.00 -0.61 0.00 0.00 39.78 38.66 2b3x n ASN 347 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2b3x s ASP 348 N -0.65 3.63 0.48 6.41 2.15 -1.09 -5.02 116.67 122.57 2b3x s ASP 348 Ca 0.42 -1.33 0.27 0.00 0.43 0.00 0.00 52.55 52.34 2b3x s ASP 348 Cb 0.34 -0.73 0.89 0.00 -0.30 0.00 0.00 42.92 43.12 2b3x s ASP 348 CO 0.10 -0.38 1.81 -0.65 -0.17 0.00 0.00 175.17 175.88 2b3x h PRO 349 N 8.17 0.00 0.00 4.34 0.11 -1.86 -2.45 132.00 140.31 2b3x h PRO 349 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2b3x h PRO 349 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2b3x h PRO 349 CO 0.42 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 2b3x n SER 350 N -3.16 0.34 0.03 -2.05 3.41 -1.26 -2.89 113.62 108.05 2b3x n SER 350 Ca 0.02 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 2b3x n SER 350 Cb 0.42 -0.64 0.07 0.00 -0.26 0.00 0.00 64.21 63.80 2b3x n SER 350 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2b3x n GLN 351 N -1.85 0.27 -1.69 4.33 7.27 -0.92 -4.95 117.38 119.84 2b3x n GLN 351 Ca 0.04 0.02 -0.44 0.00 0.07 0.00 0.00 57.00 56.69 2b3x n GLN 351 Cb 0.26 -1.61 -0.04 0.00 2.41 0.00 0.00 30.24 31.26 2b3x n GLN 351 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2b3x n ASP 352 N -1.97 3.56 -4.60 1.69 8.00 -1.14 -4.99 116.55 117.11 2b3x n ASP 352 Ca 0.02 1.06 -0.30 0.00 0.71 0.00 0.00 54.79 56.29 2b3x n ASP 352 Cb 0.43 -1.50 0.20 0.00 -0.02 0.00 0.00 41.12 40.24 2b3x n ASP 352 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2b3x s PRO 353 N 1.32 0.21 -0.90 -0.24 0.02 -1.26 -4.95 135.00 129.19 2b3x s PRO 353 Ca 0.78 1.30 -0.22 0.00 0.02 0.00 0.00 61.00 62.89 2b3x s PRO 353 Cb -0.59 -1.65 0.08 0.00 0.02 0.00 0.00 34.50 32.36 2b3x s PRO 353 CO 0.36 -3.10 1.24 -0.51 -0.33 0.00 0.00 177.00 174.65 2b3x s ASP 354 N -2.57 6.46 0.61 2.53 1.11 -0.45 -4.97 116.67 119.39 2b3x s ASP 354 Ca 0.68 -1.48 -0.13 0.00 0.18 0.00 0.00 52.55 51.79 2b3x s ASP 354 Cb -0.24 -2.48 -0.04 0.00 1.07 0.00 0.00 42.92 41.23 2b3x s ASP 354 CO 0.61 -1.37 1.03 -0.36 1.18 0.00 0.00 175.17 176.25 2b3x s PHE 355 N 4.09 3.37 0.12 4.23 0.08 -1.26 -4.75 117.98 123.85 2b3x s PHE 355 Ca 0.36 1.40 -0.29 0.00 0.12 0.00 0.00 56.93 58.52 2b3x s PHE 355 Cb -0.05 -2.82 -0.07 0.00 -0.57 0.00 0.00 43.02 39.51 2b3x s PHE 355 CO -0.04 -0.81 1.60 1.15 -0.10 0.00 0.00 175.22 177.02 2b3x h THR 356 N -0.01 0.20 -3.73 0.64 2.02 -1.79 -3.46 112.91 106.79 2b3x h THR 356 Ca -0.45 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.59 2b3x h THR 356 Cb 1.20 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.74 2b3x h THR 356 CO 0.60 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 176.41 2b3x s GLN 357 N -5.94 1.82 -0.10 6.66 -2.07 -1.25 -5.05 119.66 113.73 2b3x s GLN 357 Ca -0.16 -1.49 -0.01 0.00 -1.82 0.00 0.00 55.36 51.88 2b3x s GLN 357 Cb 0.09 0.49 0.03 0.00 -1.09 0.00 0.00 33.01 32.52 2b3x s GLN 357 CO 0.64 -0.78 -0.05 0.08 -1.32 0.00 0.00 175.29 173.86 2b3x s VAL 358 N -3.32 0.81 -0.08 3.63 1.01 -1.26 -0.72 120.40 120.47 2b3x s VAL 358 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2b3x s VAL 358 Cb -0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2b3x s VAL 358 CO 0.14 0.33 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 2b3x s VAL 359 N 1.79 4.14 0.13 2.92 1.01 -0.27 -4.99 120.40 125.13 2b3x s VAL 359 Ca 0.05 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2b3x s VAL 359 Cb -0.12 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2b3x s VAL 359 CO -0.07 0.60 -0.02 -1.61 0.00 0.00 0.00 175.10 174.00 2b3x s GLU 360 N -0.87 2.41 -0.03 2.72 2.02 -1.26 -1.00 118.70 122.68 2b3x s GLU 360 Ca 0.13 -0.99 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 2b3x s GLU 360 Cb -0.11 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.73 2b3x s GLU 360 CO 0.02 0.50 0.04 -1.17 0.02 0.00 0.00 175.26 174.67 2b3x s LEU 361 N -2.58 0.57 -0.30 1.80 2.96 0.50 -4.91 118.68 116.73 2b3x s LEU 361 Ca 0.26 0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.99 2b3x s LEU 361 Cb -0.11 -0.12 -0.00 0.00 0.50 0.00 0.00 46.19 46.46 2b3x s LEU 361 CO 0.18 -0.19 0.78 -0.62 -1.32 0.00 0.00 176.35 175.17 2b3x s ASP 362 N 1.68 6.67 0.53 3.68 -1.08 -1.26 -1.50 116.67 125.39 2b3x s ASP 362 Ca -0.01 0.70 0.33 0.00 -0.52 0.00 0.00 52.55 53.04 2b3x s ASP 362 Cb -0.12 -2.40 1.33 0.00 -1.46 0.00 0.00 42.92 40.26 2b3x s ASP 362 CO -0.03 -0.59 1.96 -0.07 0.52 0.00 0.00 175.17 176.97 2b3x h LEU 363 N 9.39 0.00 -0.30 -1.34 3.38 -1.29 -2.46 115.31 122.69 2b3x h LEU 363 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2b3x h LEU 363 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2b3x h LEU 363 CO 0.87 0.00 0.00 2.29 0.09 0.00 0.00 178.44 181.69 2b3x n LYS 364 N -3.04 0.23 0.02 1.13 2.85 -1.10 -2.67 118.16 115.58 2b3x n LYS 364 Ca 0.01 0.30 0.14 0.00 -1.05 0.00 0.00 58.31 57.71 2b3x n LYS 364 Cb 0.31 -1.83 0.57 0.00 -0.65 0.00 0.00 35.03 33.42 2b3x n LYS 364 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2b3x n THR 365 N -2.25 0.12 -2.33 0.58 -2.24 -0.93 -4.77 114.28 102.46 2b3x n THR 365 Ca 0.04 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 2b3x n THR 365 Cb 0.35 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 2b3x n THR 365 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2b3x s VAL 366 N -3.02 4.02 0.19 2.28 1.01 -1.09 -5.03 120.40 118.75 2b3x s VAL 366 Ca 0.13 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.53 2b3x s VAL 366 Cb 0.18 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2b3x s VAL 366 CO 0.55 -0.04 -0.02 0.68 0.00 0.00 0.00 175.10 176.27 2b3x s VAL 367 N 2.70 3.59 0.17 2.92 -7.23 -1.26 -4.69 120.40 116.60 2b3x s VAL 367 Ca 0.60 -1.54 -0.33 0.00 -1.81 0.00 0.00 61.98 58.89 2b3x s VAL 367 Cb -0.27 -2.82 -0.13 0.00 0.56 0.00 0.00 36.38 33.72 2b3x s VAL 367 CO 0.22 -0.15 1.61 -2.65 -0.31 0.00 0.00 175.10 173.82 2b3x n PRO 368 N -0.22 2.30 -3.72 4.82 -0.02 -1.26 -4.86 135.00 132.04 2b3x n PRO 368 Ca -0.09 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.12 2b3x n PRO 368 Cb 0.56 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 2b3x n PRO 368 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b3x s SER 371 N -3.54 2.29 0.00 0.00 0.01 -0.71 0.75 113.70 112.50 2b3x s SER 371 Ca 0.35 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2b3x s SER 371 Cb 0.08 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2b3x s SER 371 CO 0.16 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2b3x n GLY 372 N 4.27 -1.10 0.09 3.44 0.00 -0.64 -1.01 105.19 110.25 2b3x n GLY 372 Ca -0.19 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.04 2b3x n GLY 372 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b3x n PRO 373 N 0.00 0.54 0.00 1.61 -0.04 -1.26 -4.75 135.00 131.10 2b3x n PRO 373 Ca 0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2b3x n PRO 373 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2b3x n PRO 373 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2b3x n LYS 374 N -1.08 0.16 -3.80 0.54 5.02 -1.26 -0.89 118.16 116.86 2b3x n LYS 374 Ca 0.13 -0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 2b3x n LYS 374 Cb 0.29 -0.63 -0.10 0.00 -0.02 0.00 0.00 35.03 34.58 2b3x n LYS 374 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2b3x s ARG 375 N -0.07 0.54 0.53 1.97 0.52 -1.26 -3.92 118.95 117.26 2b3x s ARG 375 Ca 0.00 -0.13 0.33 0.00 -0.52 0.00 0.00 55.73 55.41 2b3x s ARG 375 Cb 0.00 0.24 1.38 0.00 0.52 0.00 0.00 34.95 37.09 2b3x s ARG 375 CO 0.00 -0.13 1.97 -1.35 0.02 0.00 0.00 175.30 175.81 2b3x h PRO 376 N 4.37 0.00 -0.00 3.54 0.11 -1.89 -3.15 132.00 134.97 2b3x h PRO 376 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2b3x h PRO 376 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2b3x h PRO 376 CO 0.39 0.00 -0.61 0.00 -0.21 0.00 0.00 178.00 177.57 2b3x n GLN 377 N -3.00 0.40 -1.85 1.05 0.00 -1.26 -4.60 117.38 108.12 2b3x n GLN 377 Ca 0.01 -0.29 -0.42 0.00 0.00 0.00 0.00 57.00 56.29 2b3x n GLN 377 Cb 0.28 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.03 2b3x n GLN 377 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2b3x n ASP 378 N -1.05 4.04 -4.72 2.61 8.00 -1.19 -4.49 116.55 119.75 2b3x n ASP 378 Ca 0.07 -2.86 -0.42 0.00 0.71 0.00 0.00 54.79 52.29 2b3x n ASP 378 Cb 0.36 -1.66 -0.03 0.00 -0.02 0.00 0.00 41.12 39.77 2b3x n ASP 378 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2b3x s LYS 379 N 3.23 4.33 -0.04 -1.24 2.20 -1.26 -1.62 119.74 125.33 2b3x s LYS 379 Ca 0.48 2.09 -0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2b3x s LYS 379 Cb 0.13 -3.22 0.03 0.00 -1.51 0.00 0.00 37.83 33.25 2b3x s LYS 379 CO -0.07 -0.40 -0.00 0.54 -0.36 0.00 0.00 175.35 175.05 2b3x s VAL 380 N 0.84 0.27 0.55 4.02 0.11 0.23 -4.96 120.40 121.45 2b3x s VAL 380 Ca 0.63 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.54 2b3x s VAL 380 Cb -0.37 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 34.05 2b3x s VAL 380 CO 0.33 0.19 1.32 0.00 -3.33 0.00 0.00 175.10 173.60 2b3x s ALA 381 N 1.29 2.78 0.20 1.54 0.00 -1.26 0.03 121.76 126.33 2b3x s ALA 381 Ca -0.06 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 2b3x s ALA 381 Cb -0.13 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.63 2b3x s ALA 381 CO -0.02 -1.29 1.84 0.28 0.00 0.00 0.00 175.76 176.57 2b3x h VAL 382 N 1.38 1.08 -0.78 0.00 2.07 -1.50 -1.32 116.25 117.17 2b3x h VAL 382 Ca -0.51 -0.27 0.22 0.00 0.82 0.00 0.00 66.70 66.95 2b3x h VAL 382 Cb 1.30 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2b3x h VAL 382 CO 0.57 0.15 0.55 0.77 0.02 0.00 0.00 177.57 179.63 2b3x h SER 383 N 0.80 0.07 -0.40 0.57 4.64 -1.92 -2.77 113.55 114.54 2b3x h SER 383 Ca 0.27 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2b3x h SER 383 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2b3x h SER 383 CO -0.11 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.35 2b3x n ASP 384 N -4.34 3.29 -0.06 4.97 8.00 -0.53 -4.65 116.55 123.24 2b3x n ASP 384 Ca 0.16 -1.94 -0.07 0.00 0.71 0.00 0.00 54.79 53.65 2b3x n ASP 384 Cb 0.80 -0.26 0.12 0.00 -0.02 0.00 0.00 41.12 41.76 2b3x n ASP 384 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2b3x h MET 385 N 3.77 0.69 -0.24 -1.24 2.86 -1.18 0.80 114.93 120.39 2b3x h MET 385 Ca 0.00 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 2b3x h MET 385 Cb 0.89 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2b3x h MET 385 CO 0.00 0.87 -0.10 -0.22 1.06 0.00 0.00 176.91 178.51 2b3x h LYS 386 N 0.60 0.49 -0.26 1.72 3.64 -1.74 -1.92 116.57 119.10 2b3x h LYS 386 Ca 0.08 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 2b3x h LYS 386 Cb 0.73 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2b3x h LYS 386 CO 0.06 0.75 0.03 0.87 -2.27 0.00 0.00 179.45 178.89 2b3x h LYS 387 N 0.21 0.43 -0.54 1.90 1.57 -1.85 -2.21 116.57 116.09 2b3x h LYS 387 Ca 0.05 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2b3x h LYS 387 Cb 0.60 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2b3x h LYS 387 CO 0.03 0.56 0.33 0.22 -0.57 0.00 0.00 179.45 180.03 2b3x h ASP 388 N 0.23 0.63 -0.50 0.86 1.82 -0.88 -0.96 116.42 117.62 2b3x h ASP 388 Ca 0.08 -0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.56 2b3x h ASP 388 Cb 0.34 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2b3x h ASP 388 CO 0.01 0.49 -0.13 0.15 -1.61 0.00 0.00 179.24 178.14 2b3x h PHE 389 N 0.72 1.12 -0.30 0.28 3.57 -1.34 -1.20 116.94 119.79 2b3x h PHE 389 Ca 0.19 -0.24 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 2b3x h PHE 389 Cb -0.04 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2b3x h PHE 389 CO -0.03 1.05 -0.15 0.93 -2.23 0.00 0.00 178.31 177.88 2b3x h GLU 390 N 0.88 0.53 -0.73 1.11 5.08 -1.24 -1.75 114.58 118.46 2b3x h GLU 390 Ca 0.13 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2b3x h GLU 390 Cb 0.70 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2b3x h GLU 390 CO 0.05 0.67 0.21 0.77 -1.00 0.00 0.00 179.01 179.71 2b3x h SER 391 N 0.48 1.08 -0.35 1.42 0.02 -0.99 -3.08 113.55 112.12 2b3x h SER 391 Ca 0.08 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2b3x h SER 391 Cb 0.55 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2b3x h SER 391 CO 0.03 1.01 0.17 0.00 -1.14 0.00 0.00 176.83 176.91 2b3x h LEU 393 N 0.56 0.37 -1.45 0.00 3.38 -1.24 0.35 115.31 117.28 2b3x h LEU 393 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2b3x h LEU 393 Cb 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2b3x h LEU 393 CO -0.02 0.26 -0.07 0.61 0.09 0.00 0.00 178.44 179.32 2b3x n GLY 394 N -1.24 0.49 3.86 0.83 0.00 -1.17 0.64 105.19 108.60 2b3x n GLY 394 Ca 0.04 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 2b3x n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3x s ALA 395 N -2.08 3.24 0.08 4.61 0.00 -0.99 -4.71 121.76 121.92 2b3x s ALA 395 Ca 0.30 -0.04 -0.36 0.00 0.00 0.00 0.00 51.96 51.86 2b3x s ALA 395 Cb 0.20 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 20.31 2b3x s ALA 395 CO 0.35 -0.05 1.51 1.63 0.00 0.00 0.00 175.76 179.20 2b3x n LYS 396 N -1.29 1.65 -1.54 0.00 4.01 -1.26 -0.40 118.16 119.32 2b3x n LYS 396 Ca 0.04 0.60 -0.43 0.00 -0.51 0.00 0.00 58.31 58.01 2b3x n LYS 396 Cb 0.54 -2.31 0.00 0.00 -0.51 0.00 0.00 35.03 32.75 2b3x n LYS 396 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 2b3x n GLN 397 N 3.40 1.03 -1.88 1.97 7.27 -1.26 -3.83 117.38 124.08 2b3x n GLN 397 Ca 0.19 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.62 2b3x n GLN 397 Cb 0.24 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.12 2b3x n GLN 397 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2b3x n GLY 398 N 1.42 0.23 0.29 1.69 0.00 -1.05 -4.83 105.19 102.95 2b3x n GLY 398 Ca 0.11 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.74 2b3x n GLY 398 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2b3x h PHE 399 N 0.00 0.00 -0.04 1.61 0.05 -1.97 -2.92 116.94 113.67 2b3x h PHE 399 Ca 0.00 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.69 2b3x h PHE 399 Cb 0.00 0.00 -0.20 0.00 2.00 0.00 0.00 35.95 37.75 2b3x h PHE 399 CO 0.00 0.02 -0.76 1.63 -0.18 0.00 0.00 178.31 179.01 2b3x n LYS 400 N -3.82 0.96 -3.70 1.51 4.76 -1.26 -4.18 118.16 112.43 2b3x n LYS 400 Ca -0.03 -2.77 -0.14 0.00 -2.87 0.00 0.00 58.31 52.51 2b3x n LYS 400 Cb 0.10 -0.93 -0.09 0.00 -1.84 0.00 0.00 35.03 32.27 2b3x n LYS 400 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2b3x s GLY 401 N -2.72 -0.37 0.00 0.72 0.00 -1.10 -4.30 107.32 99.54 2b3x s GLY 401 Ca 0.36 1.34 0.07 0.00 0.00 0.00 0.00 44.72 46.49 2b3x s GLY 401 CO -0.11 1.13 1.01 0.69 0.00 0.00 0.00 173.10 175.83 2b3x n PHE 402 N 2.61 0.19 -0.47 1.90 3.01 0.12 -2.53 117.46 122.30 2b3x n PHE 402 Ca -0.14 -0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.00 2b3x n PHE 402 Cb 0.56 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 2b3x n PHE 402 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2b3x n GLN 403 N 0.25 0.00 -3.16 -1.08 10.64 0.46 -4.83 117.38 119.66 2b3x n GLN 403 Ca 0.06 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.84 2b3x n GLN 403 Cb 0.30 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.62 2b3x n GLN 403 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2b3x s VAL 404 N -0.19 4.59 0.42 -0.39 1.01 0.21 -4.95 120.40 121.10 2b3x s VAL 404 Ca 0.00 1.41 -0.26 0.00 0.00 0.00 0.00 61.98 63.13 2b3x s VAL 404 Cb 0.00 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2b3x s VAL 404 CO 0.00 0.54 1.34 0.00 0.00 0.00 0.00 175.10 176.99 2b3x s ALA 405 N -1.13 3.24 0.33 5.51 0.00 -1.26 -4.19 121.76 124.27 2b3x s ALA 405 Ca 0.32 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.67 2b3x s ALA 405 Cb -0.21 -3.52 0.81 0.00 0.00 0.00 0.00 23.12 20.20 2b3x s ALA 405 CO 0.22 -0.95 1.81 -1.35 0.00 0.00 0.00 175.76 175.48 2b3x h PRO 406 N 2.53 0.68 0.00 0.00 0.11 -1.95 0.07 132.00 133.44 2b3x h PRO 406 Ca -0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2b3x h PRO 406 Cb 1.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b3x h PRO 406 CO 0.62 0.45 -0.03 1.05 -0.21 0.00 0.00 178.00 179.88 2b3x h GLU 407 N 0.70 0.00 -0.64 1.05 9.09 -2.04 -2.84 114.58 119.90 2b3x h GLU 407 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 2b3x h GLU 407 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 2b3x h GLU 407 CO -0.31 0.03 0.00 0.72 0.05 0.00 0.00 179.01 179.50 2b3x n HIS 408 N -3.17 0.85 0.32 2.06 8.25 0.01 -4.54 115.22 118.99 2b3x n HIS 408 Ca -0.01 -0.43 0.14 0.00 -0.26 0.00 0.00 57.72 57.17 2b3x n HIS 408 Cb 0.24 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.00 2b3x n HIS 408 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2b3x h HIS 409 N 3.95 0.00 -0.25 4.41 3.86 -1.49 -2.33 115.15 123.30 2b3x h HIS 409 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 2b3x h HIS 409 Cb 0.90 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.23 2b3x h HIS 409 CO 0.43 0.00 -0.56 0.09 0.86 0.00 0.00 177.93 178.75 2b3x n ASN 410 N -2.57 2.76 -4.72 2.45 3.02 -1.26 -4.78 115.26 110.15 2b3x n ASN 410 Ca 0.00 -3.86 -0.40 0.00 -0.03 0.00 0.00 54.58 50.30 2b3x n ASN 410 Cb 0.20 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 2b3x n ASN 410 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2b3x n ASP 411 N -1.00 2.74 -3.73 6.41 9.92 -0.88 -4.98 116.55 125.04 2b3x n ASP 411 Ca 0.28 1.08 -0.09 0.00 -0.53 0.00 0.00 54.79 55.52 2b3x n ASP 411 Cb 0.79 -1.54 -0.03 0.00 -0.64 0.00 0.00 41.12 39.70 2b3x n ASP 411 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2b3x s HIS 412 N -1.22 -0.21 -0.14 1.24 -3.43 -1.26 -3.41 115.29 106.86 2b3x s HIS 412 Ca 0.63 -0.15 -0.06 0.00 -0.80 0.00 0.00 55.06 54.68 2b3x s HIS 412 Cb -0.47 0.54 0.06 0.00 -1.43 0.00 0.00 32.58 31.28 2b3x s HIS 412 CO 0.56 -1.03 0.31 0.21 -2.00 0.00 0.00 174.74 172.79 2b3x s LYS 413 N -3.87 0.24 0.42 -0.38 2.47 -0.44 -4.94 119.74 113.23 2b3x s LYS 413 Ca 0.09 0.74 -0.21 0.00 -1.56 0.00 0.00 55.97 55.03 2b3x s LYS 413 Cb -0.03 0.00 -0.11 0.00 -1.46 0.00 0.00 37.83 36.23 2b3x s LYS 413 CO -0.01 -0.22 0.94 0.95 0.16 0.00 0.00 175.35 177.17 2b3x s THR 414 N 1.93 4.40 0.12 3.43 -4.23 -1.26 -1.08 115.64 118.94 2b3x s THR 414 Ca -0.04 1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 61.86 2b3x s THR 414 Cb -0.11 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 2b3x s THR 414 CO -0.10 -0.29 0.22 0.72 -0.54 0.00 0.00 174.62 174.63 2b3x s PHE 415 N -2.14 0.28 -0.27 3.99 -0.12 0.02 -4.95 117.98 114.79 2b3x s PHE 415 Ca 0.61 -0.68 -0.06 0.00 -0.05 0.00 0.00 56.93 56.74 2b3x s PHE 415 Cb -0.10 -0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 2b3x s PHE 415 CO 0.14 -0.61 0.06 0.42 -0.05 0.00 0.00 175.22 175.18 2b3x s ILE 416 N -3.91 3.91 -0.07 -4.49 1.01 -1.26 -0.95 121.20 115.44 2b3x s ILE 416 Ca 0.10 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.22 2b3x s ILE 416 Cb 0.04 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.57 2b3x s ILE 416 CO -0.06 0.18 -0.20 -0.47 0.00 0.00 0.00 174.94 174.39 2b3x s TYR 417 N 1.51 2.04 -1.38 3.97 5.04 -0.84 -4.76 117.35 122.94 2b3x s TYR 417 Ca 0.04 -0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 53.92 2b3x s TYR 417 Cb -0.16 -1.38 0.02 0.00 0.35 0.00 0.00 41.96 40.78 2b3x s TYR 417 CO 0.02 -0.28 0.28 -3.47 -1.34 0.00 0.00 175.55 170.76 2b3x n ASP 418 N 3.37 -4.82 -0.03 4.32 2.03 -1.26 -1.53 116.55 118.63 2b3x n ASP 418 Ca -0.19 -0.11 -0.00 0.00 0.52 0.00 0.00 54.79 55.00 2b3x n ASP 418 Cb 0.53 -3.99 -0.00 0.00 -0.72 0.00 0.00 41.12 36.93 2b3x n ASP 418 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2b3x n ASN 419 N -2.15 -3.94 -4.33 1.67 3.02 -1.26 -5.03 115.26 103.24 2b3x n ASN 419 Ca -0.13 0.01 -0.24 0.00 -0.03 0.00 0.00 54.58 54.19 2b3x n ASN 419 Cb 0.61 -1.48 -0.12 0.00 -0.61 0.00 0.00 39.78 38.18 2b3x n ASN 419 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2b3x s THR 420 N -1.72 1.88 -0.03 3.41 -4.23 -0.59 -5.11 115.64 109.25 2b3x s THR 420 Ca 0.00 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.51 2b3x s THR 420 Cb 0.00 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 2b3x s THR 420 CO 0.00 -0.14 0.78 -0.70 -0.54 0.00 0.00 174.62 174.02 2b3x s GLU 421 N -2.31 4.48 0.18 3.99 2.12 -1.26 -1.99 118.70 123.91 2b3x s GLU 421 Ca 0.12 1.04 0.06 0.00 0.36 0.00 0.00 54.97 56.56 2b3x s GLU 421 Cb -0.08 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 2b3x s GLU 421 CO 0.06 0.09 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.68 2b3x s PHE 422 N 0.66 1.54 -0.09 5.30 0.40 -0.12 -4.98 117.98 120.69 2b3x s PHE 422 Ca 0.41 -0.64 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 2b3x s PHE 422 Cb -0.19 -0.74 -0.02 0.00 0.51 0.00 0.00 43.02 42.59 2b3x s PHE 422 CO 0.21 0.25 -0.17 0.99 0.70 0.00 0.00 175.22 177.20 2b3x s THR 423 N -3.10 2.73 -0.08 0.64 2.01 -1.26 -0.79 115.64 115.77 2b3x s THR 423 Ca 0.20 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.40 2b3x s THR 423 Cb 0.00 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2b3x s THR 423 CO 0.04 0.56 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.21 2b3x s LEU 424 N -0.08 2.94 0.27 4.42 2.96 -0.24 -4.96 118.68 123.99 2b3x s LEU 424 Ca -0.04 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2b3x s LEU 424 Cb -0.14 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 2b3x s LEU 424 CO 0.04 0.30 0.10 0.00 -1.32 0.00 0.00 176.35 175.47 2b3x s ALA 425 N -0.44 1.80 0.18 5.97 0.00 -1.26 -1.33 121.76 126.68 2b3x s ALA 425 Ca 0.06 -1.86 -0.33 0.00 0.00 0.00 0.00 51.96 49.83 2b3x s ALA 425 Cb -0.12 1.03 -0.14 0.00 0.00 0.00 0.00 23.12 23.90 2b3x s ALA 425 CO 0.02 -0.45 1.56 0.72 0.00 0.00 0.00 175.76 177.61 2b3x n HIS 426 N -0.49 2.31 -0.01 0.00 8.25 -1.22 -1.70 115.22 122.34 2b3x n HIS 426 Ca -0.00 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2b3x n HIS 426 Cb 0.66 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.23 2b3x n HIS 426 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2b3x n GLY 427 N 3.22 0.98 3.70 -1.41 0.00 -0.16 -4.92 105.19 106.61 2b3x n GLY 427 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2b3x n GLY 427 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b3x s SER 428 N -2.68 6.56 -0.16 1.61 0.01 -0.69 -1.46 113.70 116.89 2b3x s SER 428 Ca 0.00 2.60 -0.29 0.00 1.31 0.00 0.00 55.95 59.56 2b3x s SER 428 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2b3x s SER 428 CO 0.00 -0.88 1.32 -0.69 0.41 0.00 0.00 173.24 173.40 2b3x s VAL 429 N 1.91 4.18 -0.15 3.43 1.01 -0.52 -0.85 120.40 129.41 2b3x s VAL 429 Ca 0.73 1.42 0.10 0.00 0.00 0.00 0.00 61.98 64.23 2b3x s VAL 429 Cb -0.43 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 2b3x s VAL 429 CO 0.32 -0.15 0.29 1.33 0.00 0.00 0.00 175.10 176.88 2b3x n VAL 430 N 5.47 0.00 -4.53 2.92 0.24 0.14 -4.84 118.33 117.73 2b3x n VAL 430 Ca 0.14 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.34 61.96 2b3x n VAL 430 Cb 0.45 0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 33.14 2b3x n VAL 430 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2b3x s ILE 431 N -2.49 1.10 -0.30 1.34 1.01 -1.18 -0.74 121.20 119.94 2b3x s ILE 431 Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 2b3x s ILE 431 Cb 0.07 -1.01 0.10 0.00 0.01 0.00 0.00 42.46 41.62 2b3x s ILE 431 CO 0.42 0.35 0.11 0.00 0.00 0.00 0.00 174.94 175.82 2b3x s ALA 432 N 0.73 1.12 -0.15 9.38 0.00 -0.10 0.17 121.76 132.90 2b3x s ALA 432 Ca -0.13 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2b3x s ALA 432 Cb -0.16 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.48 2b3x s ALA 432 CO 0.03 -1.64 -0.20 0.00 0.00 0.00 0.00 175.76 173.95 2b3x s ALA 433 N 1.84 2.19 -0.91 0.00 0.00 0.01 -1.87 121.76 123.02 2b3x s ALA 433 Ca 0.09 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 2b3x s ALA 433 Cb -0.17 -1.05 0.16 0.00 0.00 0.00 0.00 23.12 22.06 2b3x s ALA 433 CO -0.30 -0.18 1.04 0.42 0.00 0.00 0.00 175.76 176.74 2b3x s ILE 434 N 1.06 4.99 0.45 0.00 1.01 -0.16 -1.97 121.20 126.59 2b3x s ILE 434 Ca -0.02 -1.87 0.03 0.00 0.00 0.00 0.00 60.65 58.80 2b3x s ILE 434 Cb -0.14 -4.70 -0.04 0.00 0.01 0.00 0.00 42.46 37.59 2b3x s ILE 434 CO -0.07 -1.38 0.03 0.42 0.00 0.00 0.00 174.94 173.94 2b3x s THR 435 N 1.93 1.34 0.00 2.92 -4.23 -1.26 -1.00 115.64 115.34 2b3x s THR 435 Ca 0.29 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2b3x s THR 435 Cb -0.06 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.28 2b3x s THR 435 CO -0.09 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.75 2b3x n SER 436 N -1.13 -0.70 0.21 3.99 2.88 -1.26 -4.22 113.62 113.38 2b3x n SER 436 Ca -0.12 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.60 2b3x n SER 436 Cb 0.67 0.08 0.83 0.00 -0.75 0.00 0.00 64.21 65.03 2b3x n SER 436 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b3x h THR 438 N 0.00 0.38 0.00 0.00 2.02 -1.87 -3.12 112.91 110.31 2b3x h THR 438 Ca 0.09 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2b3x h THR 438 Cb 0.51 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2b3x h THR 438 CO -0.00 0.04 -1.17 0.59 0.37 0.00 0.00 175.52 175.35 2b3x n ASN 439 N -5.19 4.37 0.00 4.18 4.13 -0.76 -4.51 115.26 117.48 2b3x n ASN 439 Ca 0.20 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.56 2b3x n ASN 439 Cb 0.63 0.64 0.48 0.00 -1.54 0.00 0.00 39.78 39.99 2b3x n ASN 439 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2b3x n THR 440 N -2.03 0.48 1.63 3.41 -2.24 -0.19 -2.01 114.28 113.33 2b3x n THR 440 Ca -0.04 0.12 0.15 0.00 -2.27 0.00 0.00 64.05 62.01 2b3x n THR 440 Cb 0.52 -0.76 0.68 0.00 -2.10 0.00 0.00 70.33 68.66 2b3x n THR 440 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2b3x n SER 441 N -1.41 0.73 -4.10 3.42 7.64 -1.18 -4.63 113.62 114.08 2b3x n SER 441 Ca 0.07 -1.07 -0.35 0.00 1.01 0.00 0.00 58.87 58.52 2b3x n SER 441 Cb 0.21 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.28 2b3x n SER 441 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2b3x s ASN 442 N -2.14 5.18 0.64 6.43 3.84 -0.85 -4.74 114.94 123.29 2b3x s ASN 442 Ca 0.38 -2.09 0.37 0.00 0.21 0.00 0.00 52.86 51.73 2b3x s ASN 442 Cb 0.21 -1.80 2.02 0.00 -0.55 0.00 0.00 41.25 41.13 2b3x s ASN 442 CO 0.39 -0.51 2.14 -0.65 -2.79 0.00 0.00 177.10 175.67 2b3x h PRO 443 N 7.93 0.00 -0.43 0.43 0.11 -1.84 -2.12 132.00 136.08 2b3x h PRO 443 Ca -0.11 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 2b3x h PRO 443 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2b3x h PRO 443 CO 0.67 0.00 -0.24 0.77 -0.21 0.00 0.00 178.00 178.99 2b3x h SER 444 N 0.00 0.97 1.06 -2.05 0.02 -1.92 -0.79 113.55 110.83 2b3x h SER 444 Ca 0.00 -0.41 -0.17 0.00 -0.84 0.00 0.00 61.79 60.37 2b3x h SER 444 Cb 0.26 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2b3x h SER 444 CO 0.00 1.17 -0.99 -0.37 -1.14 0.00 0.00 176.83 175.50 2b3x h VAL 445 N 0.76 0.96 -0.04 2.27 -1.51 -1.69 -2.42 116.25 114.59 2b3x h VAL 445 Ca 0.09 -2.49 -0.16 0.00 -1.23 0.00 0.00 66.70 62.91 2b3x h VAL 445 Cb 0.82 2.42 0.01 0.00 -2.13 0.00 0.00 31.29 32.41 2b3x h VAL 445 CO 0.07 0.55 -0.61 0.24 -1.23 0.00 0.00 177.57 176.59 2b3x h MET 446 N 0.00 0.49 0.04 5.19 2.86 -1.44 0.48 114.93 122.54 2b3x h MET 446 Ca -0.08 -0.47 -0.24 0.00 -2.06 0.00 0.00 59.70 56.85 2b3x h MET 446 Cb 1.60 0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.38 2b3x h MET 446 CO 0.08 1.11 -1.03 -0.07 1.06 0.00 0.00 176.91 178.06 2b3x h LEU 447 N 0.04 0.50 -0.60 1.22 3.38 -1.30 -2.13 115.31 116.41 2b3x h LEU 447 Ca -0.07 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 57.59 2b3x h LEU 447 Cb 1.29 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 2b3x h LEU 447 CO 0.12 1.26 0.09 1.23 0.09 0.00 0.00 178.44 181.23 2b3x h GLY 448 N 1.34 0.74 1.26 0.83 0.00 -1.44 0.93 103.07 106.73 2b3x h GLY 448 Ca -0.10 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2b3x h GLY 448 CO 0.17 -0.15 0.16 0.00 0.00 0.00 0.00 176.54 176.73 2b3x h ALA 449 N 1.51 1.16 -0.36 3.60 0.00 -0.78 -0.97 119.26 123.41 2b3x h ALA 449 Ca 0.32 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2b3x h ALA 449 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2b3x h ALA 449 CO -0.44 0.58 -0.38 0.78 0.00 0.00 0.00 179.25 179.78 2b3x h GLY 450 N 1.01 0.95 1.42 0.00 0.00 -0.68 -0.86 103.07 104.92 2b3x h GLY 450 Ca 0.20 -0.96 -0.19 0.00 0.00 0.00 0.00 47.33 46.38 2b3x h GLY 450 CO -0.00 0.87 -0.68 1.41 0.00 0.00 0.00 176.54 178.13 2b3x h LEU 451 N 0.71 0.67 -0.42 3.11 3.38 -0.73 -0.05 115.31 121.99 2b3x h LEU 451 Ca 0.06 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2b3x h LEU 451 Cb 0.96 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2b3x h LEU 451 CO 0.09 1.16 0.24 0.25 0.09 0.00 0.00 178.44 180.28 2b3x h LEU 452 N 0.42 0.38 -0.68 1.67 6.46 -1.14 -1.58 115.31 120.84 2b3x h LEU 452 Ca -0.02 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2b3x h LEU 452 Cb 1.26 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 2b3x h LEU 452 CO 0.13 0.28 0.43 0.00 -0.62 0.00 0.00 178.44 178.65 2b3x h ALA 453 N 1.19 0.88 0.24 1.25 0.00 -0.84 -1.28 119.26 120.69 2b3x h ALA 453 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2b3x h ALA 453 Cb 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2b3x h ALA 453 CO -0.08 0.22 -0.11 -0.22 0.00 0.00 0.00 179.25 179.05 2b3x h LYS 454 N 0.86 -0.31 0.00 0.00 3.64 -0.82 -1.10 116.57 118.84 2b3x h LYS 454 Ca 0.26 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2b3x h LYS 454 Cb -0.02 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2b3x h LYS 454 CO -0.09 -0.20 -0.10 0.87 -2.27 0.00 0.00 179.45 177.66 2b3x h LYS 455 N -0.33 0.00 -0.02 1.90 1.57 -1.17 -0.29 116.57 118.23 2b3x h LYS 455 Ca -0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 2b3x h LYS 455 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.58 2b3x h LYS 455 CO 0.05 0.10 -0.67 0.00 -0.57 0.00 0.00 179.45 178.37 2b3x h ALA 456 N 1.90 0.11 -0.52 3.86 0.00 -0.92 -1.35 119.26 122.34 2b3x h ALA 456 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2b3x h ALA 456 Cb 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2b3x h ALA 456 CO 0.01 0.42 0.06 0.28 0.00 0.00 0.00 179.25 180.03 2b3x h VAL 457 N 0.04 1.26 -0.94 0.00 2.07 -0.96 0.55 116.25 118.27 2b3x h VAL 457 Ca -0.08 -0.99 0.10 0.00 0.82 0.00 0.00 66.70 66.55 2b3x h VAL 457 Cb 1.36 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 2b3x h VAL 457 CO 0.13 0.35 0.60 0.44 0.02 0.00 0.00 177.57 179.12 2b3x h ASP 458 N 0.75 0.87 -0.06 0.57 3.32 -1.04 -0.99 116.42 119.84 2b3x h ASP 458 Ca 0.15 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2b3x h ASP 458 Cb 0.44 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2b3x h ASP 458 CO 0.02 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 2b3x n ALA 459 N -2.39 2.58 -0.96 3.45 0.00 -0.51 -4.92 120.51 117.77 2b3x n ALA 459 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2b3x n ALA 459 Cb 0.31 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2b3x n ALA 459 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3x n GLY 460 N 0.95 0.42 3.89 0.00 0.00 -0.37 -4.35 105.19 105.73 2b3x n GLY 460 Ca 0.16 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2b3x n GLY 460 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b3x s LEU 461 N 0.00 3.66 0.09 0.99 1.43 0.15 -4.97 118.68 120.03 2b3x s LEU 461 Ca 0.00 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.09 2b3x s LEU 461 Cb 0.00 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.20 2b3x s LEU 461 CO 0.00 -0.54 0.23 0.20 0.23 0.00 0.00 176.35 176.47 2b3x s ASN 462 N -3.71 0.05 -0.19 2.29 -0.87 -1.26 -4.39 114.94 106.85 2b3x s ASN 462 Ca 0.50 -0.58 -0.07 0.00 -1.57 0.00 0.00 52.86 51.14 2b3x s ASN 462 Cb -0.10 0.36 -0.04 0.00 -0.02 0.00 0.00 41.25 41.45 2b3x s ASN 462 CO 0.40 -0.75 0.05 -0.69 -2.57 0.00 0.00 177.10 173.54 2b3x s VAL 463 N -3.83 4.57 0.42 1.60 1.01 -1.26 -4.63 120.40 118.28 2b3x s VAL 463 Ca 0.04 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 2b3x s VAL 463 Cb 0.04 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.26 2b3x s VAL 463 CO -0.11 0.44 1.47 -0.04 0.00 0.00 0.00 175.10 176.86 2b3x s MET 464 N 0.62 3.87 0.42 2.72 -1.94 -1.26 -4.87 119.30 118.86 2b3x s MET 464 Ca 0.02 2.52 0.29 0.00 -1.71 0.00 0.00 55.69 56.82 2b3x s MET 464 Cb -0.13 -2.80 1.22 0.00 2.01 0.00 0.00 34.83 35.12 2b3x s MET 464 CO 0.02 -0.70 1.86 -1.35 -0.01 0.00 0.00 175.02 174.84 2b3x h PRO 465 N 2.63 0.00 0.00 2.03 0.11 -1.99 -2.77 132.00 132.01 2b3x h PRO 465 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2b3x h PRO 465 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2b3x h PRO 465 CO 0.62 0.00 -0.06 0.10 -0.21 0.00 0.00 178.00 178.46 2b3x h TYR 466 N 0.00 0.00 -3.07 0.65 -0.00 -1.96 -3.46 116.97 109.13 2b3x h TYR 466 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 58.73 58.20 2b3x h TYR 466 Cb 0.42 0.00 0.03 0.00 0.00 0.00 0.00 36.73 37.18 2b3x h TYR 466 CO 0.00 0.00 0.72 0.42 -0.00 0.00 0.00 178.16 179.30 2b3x s ILE 467 N -3.19 3.24 -0.96 -0.90 1.01 -1.05 -4.83 121.20 114.53 2b3x s ILE 467 Ca 0.08 0.92 -0.22 0.00 0.00 0.00 0.00 60.65 61.42 2b3x s ILE 467 Cb 0.07 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 39.03 2b3x s ILE 467 CO 0.66 0.08 1.32 -0.75 0.00 0.00 0.00 174.94 176.25 2b3x s LYS 468 N 0.85 3.54 -0.09 2.79 2.20 0.08 -4.94 119.74 124.18 2b3x s LYS 468 Ca 0.63 -1.24 -0.09 0.00 -0.36 0.00 0.00 55.97 54.91 2b3x s LYS 468 Cb -0.37 -5.10 -0.04 0.00 -1.51 0.00 0.00 37.83 30.80 2b3x s LYS 468 CO 0.32 -2.06 0.22 0.95 -0.36 0.00 0.00 175.35 174.42 2b3x s THR 469 N 4.30 5.37 0.06 3.43 -4.23 -1.26 -0.92 115.64 122.39 2b3x s THR 469 Ca 0.40 0.39 -0.19 0.00 -1.18 0.00 0.00 61.69 61.11 2b3x s THR 469 Cb -0.03 -3.49 0.04 0.00 1.34 0.00 0.00 72.50 70.36 2b3x s THR 469 CO -0.07 0.60 0.45 -0.94 -0.54 0.00 0.00 174.62 174.11 2b3x s SER 470 N -0.98 -0.33 -0.16 3.99 1.04 -0.78 -4.35 113.70 112.13 2b3x s SER 470 Ca 0.17 0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.62 2b3x s SER 470 Cb -0.13 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.46 2b3x s SER 470 CO 0.06 -0.71 -0.15 -0.22 0.98 0.00 0.00 173.24 173.20 2b3x s LEU 471 N -2.11 1.83 -0.62 2.42 0.20 -1.13 -0.99 118.68 118.28 2b3x s LEU 471 Ca -0.04 -0.55 0.05 0.00 0.69 0.00 0.00 54.13 54.27 2b3x s LEU 471 Cb -0.00 -1.25 0.17 0.00 -0.43 0.00 0.00 46.19 44.67 2b3x s LEU 471 CO -0.04 -0.05 0.44 -0.44 -0.29 0.00 0.00 176.35 175.97 2b3x s SER 472 N 1.44 4.04 0.54 3.68 0.01 -0.17 -0.58 113.70 122.66 2b3x s SER 472 Ca 0.05 -3.58 -0.20 0.00 1.31 0.00 0.00 55.95 53.52 2b3x s SER 472 Cb -0.13 -1.36 -0.05 0.00 0.21 0.00 0.00 66.02 64.69 2b3x s SER 472 CO -0.11 -0.12 1.17 -2.84 0.41 0.00 0.00 173.24 171.75 2b3x s PRO 473 N -0.98 3.30 0.00 12.44 0.02 -1.19 -4.27 135.00 144.31 2b3x s PRO 473 Ca 0.26 1.75 0.29 0.00 0.02 0.00 0.00 61.00 63.31 2b3x s PRO 473 Cb -0.05 -2.07 1.49 0.00 0.02 0.00 0.00 34.50 33.89 2b3x s PRO 473 CO -0.15 -0.92 2.01 0.41 -0.33 0.00 0.00 177.00 178.02 2b3x n GLY 474 N 0.36 -1.21 3.69 0.52 0.00 -1.26 -3.89 105.19 103.39 2b3x n GLY 474 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 2b3x n GLY 474 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b3x s SER 475 N -2.51 -0.33 0.60 1.61 1.04 -1.26 -0.93 113.70 111.92 2b3x s SER 475 Ca 0.29 -0.35 0.36 0.00 0.48 0.00 0.00 55.95 56.74 2b3x s SER 475 Cb 0.19 0.60 1.91 0.00 0.10 0.00 0.00 66.02 68.82 2b3x s SER 475 CO 0.43 -1.07 2.21 1.23 0.98 0.00 0.00 173.24 177.02 2b3x h GLY 476 N 2.00 0.00 0.86 7.32 0.00 -1.90 -3.07 103.07 108.29 2b3x h GLY 476 Ca -0.24 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.13 2b3x h GLY 476 CO 0.28 0.00 0.64 -2.08 0.00 0.00 0.00 176.54 175.38 2b3x h VAL 477 N 0.00 1.16 -0.36 4.60 2.07 -1.94 -1.44 116.25 120.35 2b3x h VAL 477 Ca -0.00 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2b3x h VAL 477 Cb 0.18 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 2b3x h VAL 477 CO 0.00 0.23 0.08 1.62 0.02 0.00 0.00 177.57 179.52 2b3x h VAL 478 N 1.24 1.23 -0.61 2.57 3.04 -1.89 -1.67 116.25 120.16 2b3x h VAL 478 Ca 0.39 -0.79 0.06 0.00 -1.01 0.00 0.00 66.70 65.36 2b3x h VAL 478 Cb 0.02 1.05 -0.06 0.00 -2.01 0.00 0.00 31.29 30.29 2b3x h VAL 478 CO -0.13 0.27 0.31 0.74 -1.01 0.00 0.00 177.57 177.75 2b3x h THR 479 N 0.44 0.92 0.34 3.17 2.02 -1.66 -0.49 112.91 117.64 2b3x h THR 479 Ca 0.11 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2b3x h THR 479 Cb 0.32 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2b3x h THR 479 CO 0.00 0.10 -0.39 0.22 0.37 0.00 0.00 175.52 175.82 2b3x h TYR 480 N 0.57 -1.08 0.00 3.16 5.03 -0.98 -1.49 116.97 122.19 2b3x h TYR 480 Ca 0.28 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.55 2b3x h TYR 480 Cb 0.22 0.43 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 2b3x h TYR 480 CO -0.10 -0.54 -0.25 0.10 -1.32 0.00 0.00 178.16 176.05 2b3x h TYR 481 N -0.77 0.00 -0.46 -3.82 -0.00 -1.14 -0.97 116.97 109.80 2b3x h TYR 481 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.64 2b3x h TYR 481 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.42 2b3x h TYR 481 CO -0.24 0.25 0.03 -0.07 -0.00 0.00 0.00 178.16 178.13 2b3x h LEU 482 N 0.00 0.77 -0.34 0.10 3.38 -0.88 -1.33 115.31 117.00 2b3x h LEU 482 Ca -0.00 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 2b3x h LEU 482 Cb 0.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2b3x h LEU 482 CO 0.03 0.86 -0.32 1.56 0.09 0.00 0.00 178.44 180.66 2b3x h GLN 483 N 0.64 0.82 -0.52 1.13 4.20 -1.10 -1.89 115.11 118.40 2b3x h GLN 483 Ca 0.13 -0.43 -0.07 0.00 0.06 0.00 0.00 58.65 58.35 2b3x h GLN 483 Cb 0.45 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2b3x h GLN 483 CO 0.02 1.06 0.06 1.49 -0.67 0.00 0.00 178.83 180.79 2b3x h GLU 484 N 0.60 0.84 0.00 1.46 4.57 -1.11 -1.64 114.58 119.31 2b3x h GLU 484 Ca 0.06 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2b3x h GLU 484 Cb 0.90 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2b3x h GLU 484 CO 0.08 0.80 0.00 -1.13 -1.18 0.00 0.00 179.01 177.59 2b3x n SER 485 N -4.24 0.00 -0.28 1.04 3.41 -0.51 -4.88 113.62 108.17 2b3x n SER 485 Ca 0.03 -0.54 -0.04 0.00 -0.26 0.00 0.00 58.87 58.07 2b3x n SER 485 Cb 0.27 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2b3x n SER 485 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b3x n GLY 486 N 1.04 0.66 0.06 5.00 0.00 -0.62 -4.89 105.19 106.43 2b3x n GLY 486 Ca 0.18 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.73 2b3x n GLY 486 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b3x n VAL 487 N -2.81 0.50 -0.14 1.61 0.31 -0.77 -4.43 118.33 112.60 2b3x n VAL 487 Ca -0.04 -0.58 -0.06 0.00 -0.01 0.00 0.00 64.34 63.65 2b3x n VAL 487 Cb 0.16 -0.25 0.02 0.00 -0.91 0.00 0.00 33.84 32.86 2b3x n VAL 487 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2b3x h MET 488 N 0.00 0.46 -0.53 5.55 -1.53 -1.69 -2.52 114.93 114.67 2b3x h MET 488 Ca -0.08 -0.03 0.09 0.00 -3.44 0.00 0.00 59.70 56.23 2b3x h MET 488 Cb 1.22 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 32.14 2b3x h MET 488 CO 0.01 0.30 0.36 -1.35 0.14 0.00 0.00 176.91 176.37 2b3x h PRO 489 N 0.47 0.34 -0.11 0.39 0.11 -1.89 0.10 132.00 131.41 2b3x h PRO 489 Ca 0.18 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.08 2b3x h PRO 489 Cb 0.05 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2b3x h PRO 489 CO -0.10 0.23 -0.71 1.88 -0.21 0.00 0.00 178.00 179.09 2b3x h TYR 490 N 0.35 0.68 -0.19 0.65 -1.99 -1.73 -1.89 116.97 112.85 2b3x h TYR 490 Ca 0.24 -0.29 -0.12 0.00 2.00 0.00 0.00 58.73 60.57 2b3x h TYR 490 Cb 0.48 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 2b3x h TYR 490 CO -0.00 1.06 -0.38 -0.07 -0.00 0.00 0.00 178.16 178.77 2b3x h LEU 491 N 0.36 0.44 -0.31 3.88 3.38 -1.01 -3.00 115.31 119.05 2b3x h LEU 491 Ca -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2b3x h LEU 491 Cb 1.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2b3x h LEU 491 CO 0.13 0.78 0.20 0.28 0.09 0.00 0.00 178.44 179.92 2b3x h SER 492 N 0.36 0.36 -0.62 -0.43 0.02 -0.62 0.40 113.55 113.01 2b3x h SER 492 Ca 0.04 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2b3x h SER 492 Cb 0.82 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 2b3x h SER 492 CO 0.07 0.28 0.38 -0.61 -1.14 0.00 0.00 176.83 175.80 2b3x h GLN 493 N 0.41 0.84 0.00 3.45 4.15 -1.29 -0.30 115.11 122.38 2b3x h GLN 493 Ca 0.11 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2b3x h GLN 493 Cb -0.03 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.48 2b3x h GLN 493 CO -0.02 0.60 0.00 1.28 -1.93 0.00 0.00 178.83 178.75 2b3x n LEU 494 N -4.61 0.00 0.00 -2.39 4.77 -1.14 -4.83 117.00 108.80 2b3x n LEU 494 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2b3x n LEU 494 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2b3x n LEU 494 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2b3x n GLY 495 N 0.42 0.77 2.78 -0.72 0.00 -0.12 -4.68 105.19 103.64 2b3x n GLY 495 Ca 0.07 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2b3x n GLY 495 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b3x n PHE 496 N -2.46 3.08 -1.91 1.61 3.01 0.14 -4.14 117.46 116.79 2b3x n PHE 496 Ca 0.00 -2.52 -0.36 0.00 1.01 0.00 0.00 57.45 55.58 2b3x n PHE 496 Cb 0.00 -0.98 0.05 0.00 -0.01 0.00 0.00 39.48 38.54 2b3x n PHE 496 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2b3x s ASP 497 N -1.65 4.99 0.04 4.37 1.01 -1.25 -4.32 116.67 119.86 2b3x s ASP 497 Ca 0.52 2.43 -0.30 0.00 0.71 0.00 0.00 52.55 55.91 2b3x s ASP 497 Cb 0.44 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.69 2b3x s ASP 497 CO -0.34 -1.73 1.73 -0.69 0.21 0.00 0.00 175.17 174.35 2b3x s VAL 498 N -1.59 3.12 -0.62 -1.27 1.01 -1.26 -2.85 120.40 116.93 2b3x s VAL 498 Ca 0.78 0.41 0.19 0.00 0.00 0.00 0.00 61.98 63.36 2b3x s VAL 498 Cb -0.32 -3.26 -0.23 0.00 0.00 0.00 0.00 36.38 32.57 2b3x s VAL 498 CO 0.35 -0.02 0.68 1.33 0.00 0.00 0.00 175.10 177.45 2b3x n VAL 499 N 5.07 0.00 0.00 2.92 0.24 0.25 -3.99 118.33 122.83 2b3x n VAL 499 Ca 0.17 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2b3x n VAL 499 Cb 0.41 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 2b3x n VAL 499 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b3x n GLY 500 N 1.43 2.28 3.08 7.63 0.00 -1.25 -4.14 105.19 114.22 2b3x n GLY 500 Ca 0.01 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 2b3x n GLY 500 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b3x s TYR 501 N -2.00 3.60 0.00 1.61 1.51 -1.26 -3.16 117.35 117.65 2b3x s TYR 501 Ca 0.00 -2.59 0.00 0.00 -1.01 0.00 0.00 57.07 53.47 2b3x s TYR 501 Cb 0.00 -2.88 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 2b3x s TYR 501 CO 0.00 -0.94 0.00 0.41 -1.11 0.00 0.00 175.55 173.91 2b3x n GLY 502 N 4.44 -0.76 0.07 0.71 0.00 -1.25 -3.99 105.19 104.42 2b3x n GLY 502 Ca -0.02 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 2b3x n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3x n MET 504 N -4.99 0.00 -0.21 0.00 2.00 -1.26 -2.28 117.12 110.38 2b3x n MET 504 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 57.70 57.82 2b3x n MET 504 Cb 0.05 0.00 0.50 0.00 0.00 0.00 0.00 33.22 33.78 2b3x n MET 504 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2b3x h THR 505 N 0.00 0.74 -0.69 2.03 2.02 -1.90 -1.46 112.91 113.65 2b3x h THR 505 Ca 0.00 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.06 2b3x h THR 505 Cb 0.00 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 2b3x h THR 505 CO 0.00 0.08 0.45 0.00 0.37 0.00 0.00 175.52 176.42 2b3x n ILE 507 N -4.45 0.00 -0.01 0.00 0.13 -0.75 -4.77 119.36 109.51 2b3x n ILE 507 Ca 0.08 -0.36 0.00 0.00 -1.10 0.00 0.00 62.75 61.38 2b3x n ILE 507 Cb 0.11 1.04 0.00 0.00 -0.84 0.00 0.00 39.64 39.95 2b3x n ILE 507 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2b3x n GLY 508 N 1.30 0.28 2.38 4.50 0.00 -0.50 -4.95 105.19 108.19 2b3x n GLY 508 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2b3x n GLY 508 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2b3x n ASN 509 N 0.00 6.61 0.07 1.61 5.03 -0.63 -4.56 115.26 123.38 2b3x n ASN 509 Ca 0.00 -2.43 0.12 0.00 0.87 0.00 0.00 54.58 53.14 2b3x n ASN 509 Cb 0.00 -1.32 0.19 0.00 -1.02 0.00 0.00 39.78 37.63 2b3x n ASN 509 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2b3x n SER 510 N 3.62 0.71 -0.06 6.41 3.41 -1.26 -1.85 113.62 124.61 2b3x n SER 510 Ca 0.59 0.16 0.01 0.00 -0.26 0.00 0.00 58.87 59.37 2b3x n SER 510 Cb 0.29 0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2b3x n SER 510 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b3x n GLY 511 N 1.33 -2.16 3.83 5.00 0.00 -1.25 -4.33 105.19 107.61 2b3x n GLY 511 Ca 0.03 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 2b3x n GLY 511 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b3x s PRO 512 N -0.56 3.78 0.16 1.61 0.04 -1.26 -4.99 135.00 133.78 2b3x s PRO 512 Ca 0.00 1.05 -0.02 0.00 0.04 0.00 0.00 61.00 62.07 2b3x s PRO 512 Cb 0.00 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2b3x s PRO 512 CO 0.00 -0.42 0.36 -0.51 0.04 0.00 0.00 177.00 176.47 2b3x s LEU 513 N -4.12 4.26 0.23 -3.56 1.43 -1.26 -5.00 118.68 110.66 2b3x s LEU 513 Ca 0.61 0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 53.85 2b3x s LEU 513 Cb -0.12 -3.20 -0.13 0.00 0.03 0.00 0.00 46.19 42.77 2b3x s LEU 513 CO 0.31 0.02 1.41 -2.65 0.23 0.00 0.00 176.35 175.67 2b3x n PRO 514 N -0.24 2.01 -0.21 1.29 -0.02 -1.26 -4.81 135.00 131.75 2b3x n PRO 514 Ca -0.04 0.71 0.04 0.00 -2.02 0.00 0.00 63.50 62.20 2b3x n PRO 514 Cb 0.53 -2.37 0.30 0.00 -0.02 0.00 0.00 33.50 31.94 2b3x n PRO 514 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2b3x h GLU 515 N 4.25 0.85 -0.40 -0.52 4.39 -1.98 -1.17 114.58 120.00 2b3x h GLU 515 Ca -0.45 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 2b3x h GLU 515 Cb 1.28 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 2b3x h GLU 515 CO 0.76 0.57 0.15 -1.35 -1.16 0.00 0.00 179.01 177.98 2b3x h PRO 516 N 0.88 0.56 -0.37 2.33 0.11 -1.90 -1.93 132.00 131.69 2b3x h PRO 516 Ca 0.31 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 2b3x h PRO 516 Cb 0.13 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2b3x h PRO 516 CO -0.10 0.47 -0.15 0.28 -0.21 0.00 0.00 178.00 178.29 2b3x h VAL 517 N 0.56 1.28 -0.50 3.15 2.07 -1.58 -1.55 116.25 119.68 2b3x h VAL 517 Ca 0.14 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 2b3x h VAL 517 Cb 0.12 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2b3x h VAL 517 CO -0.01 0.42 0.14 0.58 0.02 0.00 0.00 177.57 178.71 2b3x h VAL 518 N 0.54 1.23 -0.53 2.57 2.07 -1.33 -1.77 116.25 119.04 2b3x h VAL 518 Ca 0.09 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 2b3x h VAL 518 Cb 0.69 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2b3x h VAL 518 CO 0.05 0.29 0.07 -0.33 0.02 0.00 0.00 177.57 177.67 2b3x h GLU 519 N 0.68 0.85 -0.50 1.57 5.08 -1.33 -1.00 114.58 119.93 2b3x h GLU 519 Ca 0.16 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2b3x h GLU 519 Cb 0.30 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2b3x h GLU 519 CO -0.00 0.80 0.32 0.00 -1.00 0.00 0.00 179.01 179.12 2b3x h ALA 520 N 1.28 0.63 0.30 3.43 0.00 -1.10 0.92 119.26 124.73 2b3x h ALA 520 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2b3x h ALA 520 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2b3x h ALA 520 CO 0.01 0.10 -0.14 0.82 0.00 0.00 0.00 179.25 180.04 2b3x h ILE 521 N 0.67 0.73 0.00 0.00 2.04 -0.95 -1.83 117.51 118.18 2b3x h ILE 521 Ca 0.18 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 2b3x h ILE 521 Cb -0.04 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2b3x h ILE 521 CO -0.04 0.06 -0.46 0.71 0.00 0.00 0.00 178.15 178.42 2b3x h THR 522 N -0.57 1.17 -0.19 -0.27 1.35 -1.25 -0.42 112.91 112.73 2b3x h THR 522 Ca -0.04 -1.68 -0.08 0.00 -0.55 0.00 0.00 66.41 64.05 2b3x h THR 522 Cb 0.42 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2b3x h THR 522 CO 0.07 0.46 -0.21 1.56 -0.25 0.00 0.00 175.52 177.15 2b3x h GLN 523 N 0.00 0.48 -0.65 4.72 1.08 -0.73 -3.26 115.11 116.75 2b3x h GLN 523 Ca -0.00 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2b3x h GLN 523 Cb 0.91 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2b3x h GLN 523 CO 0.06 0.84 0.00 0.41 -0.95 0.00 0.00 178.83 179.19 2b3x n GLY 524 N 0.22 2.51 4.29 3.46 0.00 -0.69 -4.96 105.19 110.02 2b3x n GLY 524 Ca -0.05 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 2b3x n GLY 524 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b3x n ASP 525 N 0.98 -0.28 -4.79 1.61 8.00 -0.74 -4.86 116.55 116.47 2b3x n ASP 525 Ca 0.24 -1.20 -0.36 0.00 0.71 0.00 0.00 54.79 54.18 2b3x n ASP 525 Cb 0.86 -1.97 -0.06 0.00 -0.02 0.00 0.00 41.12 39.93 2b3x n ASP 525 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2b3x s LEU 526 N -7.27 4.21 -0.75 0.64 1.43 -0.24 -5.00 118.68 111.70 2b3x s LEU 526 Ca 0.25 1.85 -0.20 0.00 -1.03 0.00 0.00 54.13 55.00 2b3x s LEU 526 Cb -0.14 -4.16 0.11 0.00 0.03 0.00 0.00 46.19 42.03 2b3x s LEU 526 CO 0.98 -0.22 0.94 0.54 0.23 0.00 0.00 176.35 178.83 2b3x s VAL 527 N -1.74 4.68 0.30 -1.59 0.11 -1.26 -4.86 120.40 116.03 2b3x s VAL 527 Ca 0.54 -1.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.29 2b3x s VAL 527 Cb -0.17 -4.66 -0.09 0.00 -1.53 0.00 0.00 36.38 29.93 2b3x s VAL 527 CO 0.22 -1.37 0.82 0.00 -3.33 0.00 0.00 175.10 171.45 2b3x s ALA 528 N 2.97 3.28 -0.12 1.54 0.00 -1.26 -0.99 121.76 127.17 2b3x s ALA 528 Ca 0.23 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2b3x s ALA 528 Cb -0.14 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2b3x s ALA 528 CO 0.01 0.26 -0.13 0.08 0.00 0.00 0.00 175.76 175.98 2b3x s VAL 529 N -1.74 3.09 -0.17 0.00 1.01 -0.03 -2.53 120.40 120.04 2b3x s VAL 529 Ca 0.50 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2b3x s VAL 529 Cb -0.15 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2b3x s VAL 529 CO 0.20 0.53 0.10 -0.83 0.00 0.00 0.00 175.10 175.10 2b3x s GLY 530 N 0.25 2.02 -0.13 4.51 0.00 -0.50 -0.69 107.32 112.78 2b3x s GLY 530 Ca -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2b3x s GLY 530 CO 0.05 -0.06 -0.14 0.14 0.00 0.00 0.00 173.10 173.10 2b3x s VAL 531 N -0.06 3.00 0.06 1.40 1.01 0.13 -1.12 120.40 124.82 2b3x s VAL 531 Ca 0.09 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2b3x s VAL 531 Cb -0.12 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.02 2b3x s VAL 531 CO 0.00 0.53 0.24 -1.48 0.00 0.00 0.00 175.10 174.39 2b3x s LEU 532 N 0.36 1.17 -0.69 3.92 0.05 -0.59 -0.81 118.68 122.09 2b3x s LEU 532 Ca -0.11 -0.38 -0.02 0.00 0.05 0.00 0.00 54.13 53.67 2b3x s LEU 532 Cb -0.16 1.16 0.43 0.00 -2.05 0.00 0.00 46.19 45.57 2b3x s LEU 532 CO 0.06 -0.64 2.04 -1.54 -0.55 0.00 0.00 176.35 175.72 2b3x n SER 533 N 0.41 7.68 -1.18 1.48 3.41 -0.83 -0.88 113.62 123.70 2b3x n SER 533 Ca -0.18 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.64 2b3x n SER 533 Cb 0.60 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2b3x n SER 533 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b3x n GLY 534 N -0.85 2.48 0.11 5.00 0.00 -1.26 -4.35 105.19 106.32 2b3x n GLY 534 Ca 0.61 -2.10 0.02 0.00 0.00 0.00 0.00 46.02 44.55 2b3x n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2b3x n ASN 535 N -1.59 1.00 -3.86 1.61 0.23 -1.26 -4.76 115.26 106.63 2b3x n ASN 535 Ca 0.00 -1.00 -0.18 0.00 -0.53 0.00 0.00 54.58 52.87 2b3x n ASN 535 Cb 0.00 0.27 -0.16 0.00 -2.08 0.00 0.00 39.78 37.81 2b3x n ASN 535 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2b3x s ARG 536 N -0.57 0.55 -0.10 -3.83 0.52 -1.26 -4.80 118.95 109.45 2b3x s ARG 536 Ca 0.03 -0.03 0.23 0.00 -0.52 0.00 0.00 55.73 55.45 2b3x s ARG 536 Cb 0.03 -0.63 0.43 0.00 0.52 0.00 0.00 34.95 35.30 2b3x s ARG 536 CO 0.07 -0.09 1.15 0.27 0.02 0.00 0.00 175.30 176.72 2b3x n ASN 537 N 4.00 0.97 -4.76 0.23 6.94 -1.26 -4.86 115.26 116.52 2b3x n ASN 537 Ca -0.26 -2.02 -0.36 0.00 -0.02 0.00 0.00 54.58 51.93 2b3x n ASN 537 Cb 0.51 -0.29 0.01 0.00 -2.36 0.00 0.00 39.78 37.66 2b3x n ASN 537 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2b3x s PHE 538 N -1.31 2.61 -2.00 -2.53 0.08 -1.25 -4.06 117.98 109.51 2b3x s PHE 538 Ca 0.28 1.51 0.04 0.00 0.12 0.00 0.00 56.93 58.89 2b3x s PHE 538 Cb 0.34 -3.43 0.22 0.00 -0.57 0.00 0.00 43.02 39.58 2b3x s PHE 538 CO -0.11 -1.89 0.63 -0.85 -0.10 0.00 0.00 175.22 172.90 2b3x n GLU 539 N -1.10 0.40 -0.11 0.44 0.28 -1.26 -0.92 120.64 118.37 2b3x n GLU 539 Ca 0.11 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.94 2b3x n GLU 539 Cb 0.49 -1.15 -0.09 0.00 1.43 0.00 0.00 31.44 32.12 2b3x n GLU 539 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2b3x n GLY 540 N -0.13 -0.30 0.22 -1.84 0.00 -1.26 -4.90 105.19 96.97 2b3x n GLY 540 Ca 0.03 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.06 2b3x n GLY 540 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b3x h ARG 541 N -0.19 0.00 0.00 1.61 2.47 -1.39 -3.35 114.38 113.53 2b3x h ARG 541 Ca -0.49 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.15 2b3x h ARG 541 Cb 1.67 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.97 2b3x h ARG 541 CO -0.14 0.00 -0.54 0.28 0.56 0.00 0.00 179.97 180.13 2b3x h VAL 542 N 0.00 0.95 -1.85 2.04 2.07 -1.89 -3.26 116.25 114.32 2b3x h VAL 542 Ca 0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2b3x h VAL 542 Cb 0.74 1.98 -0.23 0.00 -1.52 0.00 0.00 31.29 32.26 2b3x h VAL 542 CO 0.00 0.32 0.24 -2.28 0.02 0.00 0.00 177.57 175.88 2b3x s HIS 543 N -2.18 -0.69 0.46 1.57 2.46 -1.26 -4.48 115.29 111.18 2b3x s HIS 543 Ca -0.19 1.65 0.34 0.00 0.47 0.00 0.00 55.06 57.33 2b3x s HIS 543 Cb 0.01 0.32 1.85 0.00 -0.13 0.00 0.00 32.58 34.64 2b3x s HIS 543 CO 0.49 -0.33 2.04 -1.00 -2.47 0.00 0.00 174.74 173.46 2b3x h PRO 544 N 4.86 0.00 -0.01 2.88 0.13 -1.95 -3.00 132.00 134.90 2b3x h PRO 544 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2b3x h PRO 544 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2b3x h PRO 544 CO 0.08 0.00 -0.41 0.09 -0.23 0.00 0.00 178.00 177.53 2b3x n ASN 545 N -2.80 1.49 -4.57 1.44 3.02 -1.26 -4.88 115.26 107.70 2b3x n ASN 545 Ca -0.02 -1.25 -0.39 0.00 -0.03 0.00 0.00 54.58 52.90 2b3x n ASN 545 Cb 0.17 0.56 -0.11 0.00 -0.61 0.00 0.00 39.78 39.79 2b3x n ASN 545 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2b3x s THR 546 N -2.02 5.26 -0.30 3.41 -4.23 -1.14 -4.53 115.64 112.10 2b3x s THR 546 Ca 0.12 0.06 0.22 0.00 -1.18 0.00 0.00 61.69 60.91 2b3x s THR 546 Cb 0.13 -3.56 0.13 0.00 1.34 0.00 0.00 72.50 70.54 2b3x s THR 546 CO 0.45 0.19 1.27 0.03 -0.54 0.00 0.00 174.62 176.02 2b3x h ARG 547 N 8.39 0.00 -4.95 3.99 3.08 -1.81 -3.45 114.38 119.63 2b3x h ARG 547 Ca -0.34 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.13 2b3x h ARG 547 Cb 1.18 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.90 2b3x h ARG 547 CO 0.57 0.05 -0.84 0.00 -1.07 0.00 0.00 179.97 178.68 2b3x s ALA 548 N -3.25 1.63 -0.03 0.04 0.00 -1.19 -4.87 121.76 114.09 2b3x s ALA 548 Ca 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2b3x s ALA 548 Cb 0.08 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2b3x s ALA 548 CO 0.74 0.20 -0.06 -0.80 0.00 0.00 0.00 175.76 175.85 2b3x s ASN 549 N 0.45 0.93 -0.12 0.00 0.01 -0.07 -1.41 114.94 114.73 2b3x s ASN 549 Ca -0.14 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 51.90 2b3x s ASN 549 Cb -0.16 -0.33 0.01 0.00 0.41 0.00 0.00 41.25 41.17 2b3x s ASN 549 CO 0.05 0.00 -0.22 -0.31 -1.51 0.00 0.00 177.10 175.11 2b3x s TYR 550 N 0.50 2.58 0.09 2.20 1.51 -0.27 -4.24 117.35 119.72 2b3x s TYR 550 Ca -0.07 -1.20 -0.30 0.00 -1.01 0.00 0.00 57.07 54.49 2b3x s TYR 550 Cb -0.10 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 39.94 2b3x s TYR 550 CO 0.00 -0.53 1.04 -0.51 -1.11 0.00 0.00 175.55 174.45 2b3x s LEU 551 N 0.63 4.44 0.08 -1.29 1.43 -0.18 -1.53 118.68 122.26 2b3x s LEU 551 Ca -0.12 1.87 -0.22 0.00 -1.03 0.00 0.00 54.13 54.63 2b3x s LEU 551 Cb -0.16 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.52 2b3x s LEU 551 CO 0.02 -0.23 0.52 0.00 0.23 0.00 0.00 176.35 176.90 2b3x s ALA 552 N 0.42 -1.33 0.59 4.21 0.00 -0.06 -1.73 121.76 123.86 2b3x s ALA 552 Ca 0.51 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 2b3x s ALA 552 Cb -0.25 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2b3x s ALA 552 CO 0.30 -0.58 1.24 -1.54 0.00 0.00 0.00 175.76 175.18 2b3x s SER 553 N -2.27 5.11 0.27 0.00 1.04 -1.26 -3.68 113.70 112.91 2b3x s SER 553 Ca -0.03 2.48 -0.02 0.00 0.48 0.00 0.00 55.95 58.86 2b3x s SER 553 Cb -0.00 -2.61 0.59 0.00 0.10 0.00 0.00 66.02 64.10 2b3x s SER 553 CO -0.06 -1.65 1.64 -0.65 0.98 0.00 0.00 173.24 173.50 2b3x h PRO 554 N 0.92 0.15 -0.38 4.02 0.11 -1.93 0.37 132.00 135.26 2b3x h PRO 554 Ca -0.51 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2b3x h PRO 554 Cb 1.30 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2b3x h PRO 554 CO 0.55 0.10 0.17 -1.00 -0.21 0.00 0.00 178.00 177.61 2b3x h PRO 555 N 0.16 0.53 -0.32 1.05 0.13 -1.90 -1.88 132.00 129.77 2b3x h PRO 555 Ca 0.49 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 65.46 2b3x h PRO 555 Cb 0.94 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2b3x h PRO 555 CO -0.67 0.42 -0.24 -0.07 -0.23 0.00 0.00 178.00 177.21 2b3x h LEU 556 N 0.53 0.63 -0.10 1.56 3.38 -1.34 -1.21 115.31 118.76 2b3x h LEU 556 Ca 0.13 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2b3x h LEU 556 Cb 0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2b3x h LEU 556 CO -0.02 0.86 -0.16 0.58 0.09 0.00 0.00 178.44 179.79 2b3x h VAL 557 N 0.55 0.58 -0.70 1.22 2.07 -0.39 -0.29 116.25 119.29 2b3x h VAL 557 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2b3x h VAL 557 Cb 0.70 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2b3x h VAL 557 CO 0.05 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.49 2b3x h ILE 558 N -0.22 1.18 -0.57 4.57 2.04 -1.27 -1.61 117.51 121.64 2b3x h ILE 558 Ca 0.08 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2b3x h ILE 558 Cb 0.34 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2b3x h ILE 558 CO -0.23 0.18 0.31 0.00 0.00 0.00 0.00 178.15 178.42 2b3x h ALA 559 N 1.25 0.73 -0.05 1.87 0.00 -0.83 0.44 119.26 122.66 2b3x h ALA 559 Ca 0.25 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2b3x h ALA 559 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2b3x h ALA 559 CO -0.05 0.24 -0.43 1.88 0.00 0.00 0.00 179.25 180.89 2b3x h TYR 560 N 0.76 0.14 -0.49 0.00 0.99 -0.99 -0.25 116.97 117.13 2b3x h TYR 560 Ca 0.20 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.84 2b3x h TYR 560 Cb 0.04 -0.03 -0.02 0.00 1.00 0.00 0.00 36.73 37.72 2b3x h TYR 560 CO -0.01 0.54 0.12 0.00 -0.00 0.00 0.00 178.16 178.81 2b3x h ALA 561 N 1.46 0.65 0.57 3.88 0.00 -0.71 0.28 119.26 125.38 2b3x h ALA 561 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2b3x h ALA 561 Cb 0.81 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2b3x h ALA 561 CO 0.06 0.33 -0.27 0.82 0.00 0.00 0.00 179.25 180.19 2b3x h ILE 562 N 0.67 0.36 -1.01 0.00 2.04 -0.74 -2.79 117.51 116.04 2b3x h ILE 562 Ca 0.15 -0.28 0.24 0.00 1.00 0.00 0.00 64.86 65.98 2b3x h ILE 562 Cb 0.32 0.46 -0.12 0.00 -0.74 0.00 0.00 36.82 36.74 2b3x h ILE 562 CO 0.00 0.04 0.61 0.00 0.00 0.00 0.00 178.15 178.80 2b3x h ALA 563 N -0.64 1.85 0.00 1.87 0.00 -1.03 -3.45 119.26 117.86 2b3x h ALA 563 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2b3x h ALA 563 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2b3x h ALA 563 CO 0.13 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.49 2b3x n GLY 564 N -1.34 1.03 3.48 0.00 0.00 0.98 -4.97 105.19 104.36 2b3x n GLY 564 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 2b3x n GLY 564 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2b3x s THR 565 N -3.63 0.00 -2.83 2.61 -1.32 -1.19 -1.44 115.64 107.83 2b3x s THR 565 Ca 0.00 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 2b3x s THR 565 Cb 0.00 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.27 2b3x s THR 565 CO 0.00 0.00 1.34 2.30 -2.21 0.00 0.00 174.62 176.05 2b3x n ILE 566 N 0.30 0.10 -1.76 5.08 -6.64 -0.53 -4.55 119.36 111.36 2b3x n ILE 566 Ca -0.17 -0.52 -0.36 0.00 -1.77 0.00 0.00 62.75 59.93 2b3x n ILE 566 Cb 0.61 1.27 -0.03 0.00 -1.44 0.00 0.00 39.64 40.05 2b3x n ILE 566 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 2b3x n ARG 567 N 1.24 3.93 -4.15 6.28 1.74 -1.26 -4.01 116.66 120.42 2b3x n ARG 567 Ca 0.16 -2.96 -0.15 0.00 -0.77 0.00 0.00 57.85 54.13 2b3x n ARG 567 Cb 0.57 -2.53 -0.14 0.00 -1.02 0.00 0.00 32.46 29.35 2b3x n ARG 567 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2b3x s ILE 568 N -0.84 0.48 -0.60 0.55 2.07 -1.26 -4.98 121.20 116.62 2b3x s ILE 568 Ca 0.58 -0.49 -0.07 0.00 -1.41 0.00 0.00 60.65 59.26 2b3x s ILE 568 Cb 0.23 -0.45 0.16 0.00 0.13 0.00 0.00 42.46 42.52 2b3x s ILE 568 CO -0.11 -0.02 0.46 -0.62 -1.91 0.00 0.00 174.94 172.74 2b3x s ASP 569 N -0.56 5.70 0.49 4.50 2.15 -1.26 -4.26 116.67 123.43 2b3x s ASP 569 Ca -0.01 -2.45 0.25 0.00 0.43 0.00 0.00 52.55 50.77 2b3x s ASP 569 Cb -0.04 -1.98 1.32 0.00 -0.30 0.00 0.00 42.92 41.92 2b3x s ASP 569 CO -0.00 -0.53 1.90 -0.26 -0.17 0.00 0.00 175.17 176.11 2b3x h PHE 570 N 7.73 0.20 0.00 -5.34 0.05 -1.89 0.14 116.94 117.82 2b3x h PHE 570 Ca -0.06 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.72 2b3x h PHE 570 Cb 1.02 -0.06 -0.00 0.00 2.00 0.00 0.00 35.95 38.90 2b3x h PHE 570 CO 0.74 0.05 -0.06 1.05 -0.18 0.00 0.00 178.31 179.91 2b3x h GLU 571 N 0.15 0.00 0.00 1.51 9.09 -1.98 -3.38 114.58 119.97 2b3x h GLU 571 Ca 0.40 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.50 2b3x h GLU 571 Cb 1.36 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.41 2b3x h GLU 571 CO -0.07 0.06 -2.19 1.63 0.05 0.00 0.00 179.01 178.50 2b3x n LYS 572 N -3.12 0.74 -4.70 1.06 4.76 0.33 -4.98 118.16 112.25 2b3x n LYS 572 Ca 0.03 0.09 -0.33 0.00 -2.87 0.00 0.00 58.31 55.23 2b3x n LYS 572 Cb 0.53 -1.42 -0.15 0.00 -1.84 0.00 0.00 35.03 32.15 2b3x n LYS 572 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2b3x s GLU 573 N -2.42 3.35 0.69 1.97 -1.05 -0.27 -5.07 118.70 115.90 2b3x s GLU 573 Ca -0.23 -0.69 -0.16 0.00 -0.15 0.00 0.00 54.97 53.74 2b3x s GLU 573 Cb 0.07 -2.65 0.02 0.00 -0.44 0.00 0.00 34.13 31.13 2b3x s GLU 573 CO 0.54 0.16 1.20 -1.25 0.95 0.00 0.00 175.26 176.86 2b3x s PRO 574 N 0.48 2.39 0.18 -4.83 0.04 -1.26 -4.59 135.00 127.41 2b3x s PRO 574 Ca -0.09 1.73 0.09 0.00 0.04 0.00 0.00 61.00 62.77 2b3x s PRO 574 Cb -0.16 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2b3x s PRO 574 CO 0.04 -1.64 1.38 -0.07 0.04 0.00 0.00 177.00 176.76 2b3x h LEU 575 N -0.01 0.00 0.00 -3.56 3.38 -1.08 -3.49 115.31 110.55 2b3x h LEU 575 Ca -0.48 0.00 0.27 0.00 0.09 0.00 0.00 57.88 57.76 2b3x h LEU 575 Cb 1.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 2b3x h LEU 575 CO 0.51 0.84 0.71 0.61 0.09 0.00 0.00 178.44 181.21 2b3x n GLY 576 N 1.09 0.33 3.15 0.83 0.00 -1.21 -4.85 105.19 104.53 2b3x n GLY 576 Ca 0.00 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 2b3x n GLY 576 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b3x s VAL 577 N -2.05 2.27 -0.57 1.61 1.01 -1.26 -1.49 120.40 119.93 2b3x s VAL 577 Ca 0.24 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 2b3x s VAL 577 Cb -0.01 -1.97 0.04 0.00 0.00 0.00 0.00 36.38 34.45 2b3x s VAL 577 CO -0.00 0.52 0.97 0.21 0.00 0.00 0.00 175.10 176.80 2b3x s ASN 578 N 1.31 6.33 -0.22 3.32 2.47 0.42 -4.95 114.94 123.61 2b3x s ASN 578 Ca 0.05 -0.38 -0.28 0.00 0.42 0.00 0.00 52.86 52.67 2b3x s ASN 578 Cb -0.13 -2.44 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 2b3x s ASN 578 CO -0.11 -1.27 2.16 0.00 -3.72 0.00 0.00 177.10 174.15 2b3x s ALA 579 N 4.05 2.78 0.00 1.71 0.00 -1.26 -0.88 121.76 128.16 2b3x s ALA 579 Ca 0.31 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2b3x s ALA 579 Cb -0.12 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2b3x s ALA 579 CO 0.19 -2.73 0.00 1.17 0.00 0.00 0.00 175.76 174.39 2b3x n LYS 580 N 8.67 0.00 0.00 0.00 0.00 -1.26 -4.90 118.16 120.66 2b3x n LYS 580 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.60 2b3x n LYS 580 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.48 2b3x n LYS 580 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2b3x n GLY 581 N 0.00 1.43 7.00 3.14 0.00 -0.64 -4.97 105.19 111.15 2b3x n GLY 581 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2b3x n GLY 581 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b3x n GLN 582 N 0.11 0.00 -2.11 1.61 1.13 -0.06 -4.84 117.38 113.22 2b3x n GLN 582 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 2b3x n GLN 582 Cb 0.26 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.58 2b3x n GLN 582 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2b3x s GLN 583 N 0.00 4.30 -0.21 -1.09 -0.21 -1.26 -0.44 119.66 120.75 2b3x s GLN 583 Ca 0.00 2.15 -0.01 0.00 0.02 0.00 0.00 55.36 57.52 2b3x s GLN 583 Cb 0.00 -3.22 0.01 0.00 1.00 0.00 0.00 33.01 30.81 2b3x s GLN 583 CO 0.00 -0.47 -0.12 0.54 -2.12 0.00 0.00 175.29 173.13 2b3x s VAL 584 N 1.03 2.64 0.37 1.09 0.11 -0.56 -4.90 120.40 120.18 2b3x s VAL 584 Ca 0.65 -0.85 0.05 0.00 -2.93 0.00 0.00 61.98 58.90 2b3x s VAL 584 Cb -0.39 -2.21 -0.01 0.00 -1.53 0.00 0.00 36.38 32.25 2b3x s VAL 584 CO 0.31 0.41 0.53 -0.36 -3.33 0.00 0.00 175.10 172.66 2b3x s PHE 585 N 1.35 3.14 0.32 1.54 0.40 -1.26 -0.43 117.98 123.03 2b3x s PHE 585 Ca 0.04 -0.10 -0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2b3x s PHE 585 Cb -0.14 -2.09 0.52 0.00 0.51 0.00 0.00 43.02 41.82 2b3x s PHE 585 CO -0.08 -0.12 1.99 1.25 0.70 0.00 0.00 175.22 178.96 2b3x h LEU 586 N 0.75 0.85 -0.85 -0.37 5.85 -1.89 -1.58 115.31 118.08 2b3x h LEU 586 Ca -0.46 -0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.45 2b3x h LEU 586 Cb 1.26 -0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.95 2b3x h LEU 586 CO 0.54 0.62 0.29 0.50 -0.34 0.00 0.00 178.44 180.05 2b3x h LYS 587 N 1.01 0.31 0.00 1.25 3.64 -1.94 -1.29 116.57 119.54 2b3x h LYS 587 Ca 0.27 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2b3x h LYS 587 Cb -0.11 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2b3x h LYS 587 CO -0.06 0.20 -0.11 -0.44 -2.27 0.00 0.00 179.45 176.77 2b3x h ASP 588 N 0.32 0.00 -0.01 4.20 3.32 -1.67 -3.19 116.42 119.39 2b3x h ASP 588 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2b3x h ASP 588 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2b3x h ASP 588 CO -0.55 0.11 0.00 2.30 -1.72 0.00 0.00 179.24 179.38 2b3x n ILE 589 N -3.34 0.06 -2.76 0.35 -5.35 -0.93 -4.99 119.36 102.39 2b3x n ILE 589 Ca -0.00 -0.53 -0.42 0.00 -0.27 0.00 0.00 62.75 61.52 2b3x n ILE 589 Cb 0.32 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.22 2b3x n ILE 589 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2b3x s TRP 590 N -0.30 3.41 0.20 4.28 -0.11 -0.53 -4.42 118.94 121.46 2b3x s TRP 590 Ca 0.04 1.41 -0.25 0.00 1.22 0.00 0.00 56.10 58.52 2b3x s TRP 590 Cb 0.03 -3.15 -0.08 0.00 -1.50 0.00 0.00 33.47 28.77 2b3x s TRP 590 CO 0.04 -0.33 0.80 -1.25 -4.62 0.00 0.00 176.95 171.59 2b3x s PRO 591 N 2.52 4.55 0.82 5.86 0.04 -1.26 -4.99 135.00 142.53 2b3x s PRO 591 Ca 0.43 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 2b3x s PRO 591 Cb -0.16 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.30 2b3x s PRO 591 CO 0.11 0.51 1.14 0.95 0.04 0.00 0.00 177.00 179.76 2b3x s THR 592 N -1.25 2.38 -0.33 1.26 -4.23 -1.26 -4.92 115.64 107.28 2b3x s THR 592 Ca 0.39 0.12 0.23 0.00 -1.18 0.00 0.00 61.69 61.25 2b3x s THR 592 Cb -0.22 -3.02 0.24 0.00 1.34 0.00 0.00 72.50 70.85 2b3x s THR 592 CO 0.26 -0.16 1.70 0.54 -0.54 0.00 0.00 174.62 176.42 2b3x n ARG 593 N -3.42 0.18 0.04 3.99 1.74 -0.99 -2.52 116.66 115.69 2b3x n ARG 593 Ca 0.07 0.52 -0.01 0.00 -0.77 0.00 0.00 57.85 57.67 2b3x n ARG 593 Cb 0.59 -1.93 -0.07 0.00 -1.02 0.00 0.00 32.46 30.03 2b3x n ARG 593 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2b3x h ASP 594 N 0.00 0.00 0.41 0.55 3.04 -1.93 -2.04 116.42 116.46 2b3x h ASP 594 Ca 0.00 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.61 2b3x h ASP 594 Cb 0.21 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.49 2b3x h ASP 594 CO 0.00 0.62 -0.74 -0.33 -2.04 0.00 0.00 179.24 176.75 2b3x h GLU 595 N 0.00 0.27 -0.06 4.15 5.08 -1.87 -2.74 114.58 119.41 2b3x h GLU 595 Ca -0.14 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 2b3x h GLU 595 Cb 1.60 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.91 2b3x h GLU 595 CO 0.06 0.89 -0.38 0.82 -1.00 0.00 0.00 179.01 179.39 2b3x h ILE 596 N 0.18 1.42 -0.74 3.13 2.04 -1.60 -2.99 117.51 118.96 2b3x h ILE 596 Ca -0.03 -1.81 -0.02 0.00 1.00 0.00 0.00 64.86 64.01 2b3x h ILE 596 Cb 1.31 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 39.73 2b3x h ILE 596 CO 0.12 0.52 0.38 -0.61 0.00 0.00 0.00 178.15 178.56 2b3x h GLN 597 N -0.13 1.04 0.01 2.37 4.15 -1.43 0.99 115.11 122.11 2b3x h GLN 597 Ca -0.03 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.28 2b3x h GLN 597 Cb 1.05 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.50 2b3x h GLN 597 CO 0.08 0.79 -0.25 0.00 -1.93 0.00 0.00 178.83 177.52 2b3x h ALA 598 N 1.19 -0.34 -0.82 3.38 0.00 -1.56 -0.83 119.26 120.29 2b3x h ALA 598 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2b3x h ALA 598 Cb 0.07 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2b3x h ALA 598 CO -0.04 -0.75 0.45 0.28 0.00 0.00 0.00 179.25 179.20 2b3x h VAL 599 N -0.39 1.24 -0.71 0.00 2.07 -1.29 -2.82 116.25 114.36 2b3x h VAL 599 Ca 0.06 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2b3x h VAL 599 Cb 0.47 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2b3x h VAL 599 CO -0.21 0.26 0.37 -0.08 0.02 0.00 0.00 177.57 177.94 2b3x h GLU 600 N 1.13 1.01 -0.23 1.57 4.81 -0.57 -2.07 114.58 120.22 2b3x h GLU 600 Ca 0.29 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2b3x h GLU 600 Cb 0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2b3x h GLU 600 CO -0.05 0.77 -0.33 0.00 -0.73 0.00 0.00 179.01 178.67 2b3x h ARG 601 N 0.99 0.49 0.00 1.92 3.08 -0.95 -2.09 114.38 117.83 2b3x h ARG 601 Ca 0.25 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2b3x h ARG 601 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2b3x h ARG 601 CO -0.04 0.77 -0.58 -0.56 -1.07 0.00 0.00 179.97 178.49 2b3x h GLN 602 N 0.42 0.00 0.00 0.04 3.07 -1.38 -3.40 115.11 113.86 2b3x h GLN 602 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.77 2b3x h GLN 602 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.34 2b3x h GLN 602 CO 0.06 0.00 -1.13 0.66 0.09 0.00 0.00 178.83 178.51 2b3x n TYR 603 N -2.27 0.00 -2.91 0.06 4.02 -0.79 -4.89 117.16 110.39 2b3x n TYR 603 Ca 0.03 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.48 2b3x n TYR 603 Cb 0.46 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.67 2b3x n TYR 603 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2b3x s VAL 604 N -2.11 4.62 0.07 -0.72 1.01 -0.79 -4.82 120.40 117.66 2b3x s VAL 604 Ca -0.01 -1.27 0.05 0.00 0.00 0.00 0.00 61.98 60.75 2b3x s VAL 604 Cb 0.01 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 2b3x s VAL 604 CO 0.09 -1.50 -0.14 0.27 0.00 0.00 0.00 175.10 173.83 2b3x s ILE 605 N 3.05 1.11 0.29 2.22 -4.36 -1.26 -4.87 121.20 117.38 2b3x s ILE 605 Ca 0.30 -1.29 0.02 0.00 -0.26 0.00 0.00 60.65 59.43 2b3x s ILE 605 Cb -0.08 -1.06 0.31 0.00 1.25 0.00 0.00 42.46 42.88 2b3x s ILE 605 CO -0.05 -0.21 1.65 -0.65 0.24 0.00 0.00 174.94 175.92 2b3x h PRO 606 N 4.32 0.21 -0.81 0.37 0.11 -1.76 -1.45 132.00 132.99 2b3x h PRO 606 Ca -0.41 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.78 2b3x h PRO 606 Cb 1.19 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 2b3x h PRO 606 CO 0.40 0.14 0.53 0.78 -0.21 0.00 0.00 178.00 179.64 2b3x h GLY 607 N 0.22 1.08 1.01 -0.55 0.00 -1.95 -2.27 103.07 100.61 2b3x h GLY 607 Ca 0.56 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2b3x h GLY 607 CO -0.65 0.19 0.41 1.98 0.00 0.00 0.00 176.54 178.47 2b3x h MET 608 N 0.77 1.01 -0.16 4.80 -1.53 -1.64 -1.94 114.93 116.23 2b3x h MET 608 Ca 0.37 -0.11 -0.15 0.00 -3.44 0.00 0.00 59.70 56.37 2b3x h MET 608 Cb 0.42 -0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 31.26 2b3x h MET 608 CO -0.14 0.74 -0.55 0.74 0.14 0.00 0.00 176.91 177.84 2b3x h PHE 609 N 1.00 0.58 0.10 1.39 -1.00 -1.48 -2.13 116.94 115.40 2b3x h PHE 609 Ca 0.26 -0.21 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 2b3x h PHE 609 Cb 0.01 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.46 2b3x h PHE 609 CO -0.00 0.91 -0.05 -0.22 -1.61 0.00 0.00 178.31 177.34 2b3x h LYS 610 N 0.36 -0.13 -0.58 1.51 1.63 -1.28 -1.25 116.57 116.83 2b3x h LYS 610 Ca 0.01 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 2b3x h LYS 610 Cb 1.07 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.71 2b3x h LYS 610 CO 0.10 -0.01 0.22 0.93 -3.45 0.00 0.00 179.45 177.24 2b3x h GLU 611 N -0.22 0.87 -0.28 1.90 4.39 -1.30 0.19 114.58 120.13 2b3x h GLU 611 Ca -0.01 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 2b3x h GLU 611 Cb 0.18 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2b3x h GLU 611 CO 0.02 0.76 -0.14 0.28 -1.16 0.00 0.00 179.01 178.77 2b3x h VAL 612 N 0.80 1.30 -0.00 3.13 2.07 -1.35 -3.25 116.25 118.94 2b3x h VAL 612 Ca 0.19 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2b3x h VAL 612 Cb 0.22 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2b3x h VAL 612 CO -0.01 0.39 -0.41 -1.22 0.02 0.00 0.00 177.57 176.34 2b3x n TYR 613 N -4.42 0.00 -0.14 1.57 4.02 -0.48 -4.13 117.16 113.58 2b3x n TYR 613 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.82 2b3x n TYR 613 Cb 0.37 -0.18 0.04 0.00 -0.02 0.00 0.00 39.34 39.55 2b3x n TYR 613 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2b3x h GLN 614 N 0.55 0.09 -0.42 -0.72 4.15 -0.66 -2.93 115.11 115.18 2b3x h GLN 614 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2b3x h GLN 614 Cb 0.51 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2b3x h GLN 614 CO 0.00 0.06 0.00 1.63 -1.93 0.00 0.00 178.83 178.59 2b3x n LYS 615 N -5.23 3.28 -0.32 1.69 5.02 -1.26 -4.81 118.16 116.53 2b3x n LYS 615 Ca 0.04 -2.66 0.16 0.00 -2.02 0.00 0.00 58.31 53.82 2b3x n LYS 615 Cb 0.24 -1.73 0.35 0.00 -0.02 0.00 0.00 35.03 33.87 2b3x n LYS 615 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2b3x h ILE 616 N 2.66 0.44 0.00 -0.18 6.09 -1.67 -0.88 117.51 123.97 2b3x h ILE 616 Ca 0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 2b3x h ILE 616 Cb 1.29 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.58 2b3x h ILE 616 CO 0.18 0.07 -0.53 -0.33 -3.07 0.00 0.00 178.15 174.47 2b3x h GLU 617 N 0.40 0.00 -0.00 2.19 5.08 -1.87 -3.38 114.58 117.00 2b3x h GLU 617 Ca 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 2b3x h GLU 617 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2b3x h GLU 617 CO -0.55 0.00 -0.01 0.25 -1.00 0.00 0.00 179.01 177.70 2b3x n THR 618 N -2.41 0.00 0.23 1.13 -2.24 -0.45 -4.72 114.28 105.82 2b3x n THR 618 Ca 0.03 -0.49 0.11 0.00 -2.27 0.00 0.00 64.05 61.43 2b3x n THR 618 Cb 0.48 1.00 0.42 0.00 -2.10 0.00 0.00 70.33 70.13 2b3x n THR 618 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2b3x h VAL 619 N 0.04 0.37 -3.19 2.28 3.04 -1.43 -3.43 116.25 113.93 2b3x h VAL 619 Ca 0.00 -1.08 -0.58 0.00 -1.01 0.00 0.00 66.70 64.03 2b3x h VAL 619 Cb 0.01 1.82 -0.10 0.00 -2.01 0.00 0.00 31.29 31.01 2b3x h VAL 619 CO 0.00 0.16 0.76 0.21 -1.01 0.00 0.00 177.57 177.70 2b3x s ASN 620 N -6.10 6.39 0.31 3.17 3.84 -1.26 -4.90 114.94 116.38 2b3x s ASN 620 Ca 0.02 -0.14 0.15 0.00 0.21 0.00 0.00 52.86 53.10 2b3x s ASN 620 Cb 0.09 -2.49 0.45 0.00 -0.55 0.00 0.00 41.25 38.75 2b3x s ASN 620 CO 0.63 -1.35 1.63 -0.33 -2.79 0.00 0.00 177.10 174.89 2b3x h GLU 621 N 9.43 0.00 -0.30 0.43 4.39 -1.99 -0.69 114.58 125.85 2b3x h GLU 621 Ca -0.26 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.31 2b3x h GLU 621 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2b3x h GLU 621 CO 1.14 0.51 -0.36 0.77 -1.16 0.00 0.00 179.01 179.91 2b3x h SER 622 N 0.00 0.83 0.25 1.42 0.02 -1.98 -2.57 113.55 111.50 2b3x h SER 622 Ca -0.01 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2b3x h SER 622 Cb 1.07 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2b3x h SER 622 CO 0.07 1.15 -0.12 -0.25 -1.14 0.00 0.00 176.83 176.54 2b3x h TRP 623 N 0.52 -0.31 -0.91 3.45 2.91 -1.93 -2.97 115.95 116.71 2b3x h TRP 623 Ca 0.04 -0.01 0.22 0.00 1.13 0.00 0.00 58.89 60.27 2b3x h TRP 623 Cb 0.94 0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 29.63 2b3x h TRP 623 CO 0.07 -0.09 0.61 -0.91 -1.03 0.00 0.00 178.44 177.09 2b3x h ASN 624 N -0.47 0.32 1.73 2.65 2.35 -1.16 -2.07 115.58 118.92 2b3x h ASN 624 Ca -0.03 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2b3x h ASN 624 Cb 0.35 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2b3x h ASN 624 CO 0.06 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 2b3x h ALA 625 N 1.60 1.00 -2.49 -0.83 0.00 -1.30 -3.46 119.26 113.78 2b3x h ALA 625 Ca 0.47 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.84 2b3x h ALA 625 Cb 1.33 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.17 2b3x h ALA 625 CO -0.15 0.00 0.94 1.28 0.00 0.00 0.00 179.25 181.32 2b3x n LEU 626 N -2.96 3.67 -4.73 0.00 4.77 -0.78 -4.97 117.00 112.00 2b3x n LEU 626 Ca 0.04 1.06 -0.39 0.00 -0.03 0.00 0.00 56.01 56.68 2b3x n LEU 626 Cb 0.47 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 2b3x n LEU 626 CO 0.32 0.01 0.37 0.00 -1.33 0.00 0.00 177.39 176.76 2b3x s ALA 627 N 1.22 3.37 0.00 -1.18 0.00 -1.26 -5.07 121.76 118.85 2b3x s ALA 627 Ca 0.77 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.88 2b3x s ALA 627 Cb -0.57 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 2b3x s ALA 627 CO 0.35 -0.04 -0.13 0.95 0.00 0.00 0.00 175.76 176.89 2b3x s THR 628 N 0.55 1.03 0.80 0.00 -4.23 -1.26 -4.95 115.64 107.58 2b3x s THR 628 Ca 0.36 -0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 60.07 2b3x s THR 628 Cb -0.18 -0.88 0.05 0.00 1.34 0.00 0.00 72.50 72.83 2b3x s THR 628 CO 0.18 0.22 1.00 -2.65 -0.54 0.00 0.00 174.62 172.82 2b3x n PRO 629 N 2.55 0.21 0.00 3.99 -0.02 -1.26 -4.94 135.00 135.53 2b3x n PRO 629 Ca -0.15 0.14 0.14 0.00 -2.02 0.00 0.00 63.50 61.61 2b3x n PRO 629 Cb 0.55 -2.27 0.62 0.00 -0.02 0.00 0.00 33.50 32.38 2b3x n PRO 629 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2b3x n SER 630 N -2.42 0.80 -4.46 2.55 3.41 -1.26 -4.97 113.62 107.27 2b3x n SER 630 Ca 0.12 -1.02 -0.42 0.00 -0.26 0.00 0.00 58.87 57.30 2b3x n SER 630 Cb 0.50 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2b3x n SER 630 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2b3x n ASP 631 N -0.54 -0.67 -0.05 4.04 8.00 -1.26 -4.96 116.55 121.10 2b3x n ASP 631 Ca 0.18 0.94 -0.01 0.00 0.71 0.00 0.00 54.79 56.61 2b3x n ASP 631 Cb 0.28 -1.12 -0.13 0.00 -0.02 0.00 0.00 41.12 40.12 2b3x n ASP 631 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2b3x n LYS 632 N 0.61 1.00 -4.22 -1.24 5.02 -1.26 -4.76 118.16 113.31 2b3x n LYS 632 Ca 0.12 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.99 2b3x n LYS 632 Cb 0.38 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 2b3x n LYS 632 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2b3x s LEU 633 N -4.82 3.65 0.23 -0.35 1.43 -1.26 -5.03 118.68 112.53 2b3x s LEU 633 Ca -0.07 0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 2b3x s LEU 633 Cb 0.08 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 2b3x s LEU 633 CO 0.70 0.27 1.20 0.12 0.23 0.00 0.00 176.35 178.87 2b3x s PHE 634 N -0.21 3.40 -0.86 0.29 5.36 -1.26 -4.98 117.98 119.71 2b3x s PHE 634 Ca 0.06 1.46 -0.22 0.00 -0.96 0.00 0.00 56.93 57.28 2b3x s PHE 634 Cb -0.12 -3.45 0.08 0.00 -0.34 0.00 0.00 43.02 39.19 2b3x s PHE 634 CO 0.02 -1.21 1.18 0.12 -1.46 0.00 0.00 175.22 173.87 2b3x s PHE 635 N -0.43 2.75 -0.13 10.12 5.36 -1.26 -4.99 117.98 129.40 2b3x s PHE 635 Ca 0.51 -0.86 -0.29 0.00 -0.96 0.00 0.00 56.93 55.32 2b3x s PHE 635 Cb -0.34 -4.43 -0.05 0.00 -0.34 0.00 0.00 43.02 37.86 2b3x s PHE 635 CO 0.40 -1.72 1.86 -1.58 -1.46 0.00 0.00 175.22 172.72 2b3x s TRP 636 N 4.00 1.64 -0.12 10.12 0.52 -1.26 -4.95 118.94 128.89 2b3x s TRP 636 Ca 0.33 0.21 -0.27 0.00 0.02 0.00 0.00 56.10 56.40 2b3x s TRP 636 Cb -0.07 -4.04 -0.02 0.00 -1.15 0.00 0.00 33.47 28.19 2b3x s TRP 636 CO -0.01 -4.07 0.89 1.21 0.02 0.00 0.00 176.95 174.98 2b3x s ASN 637 N 5.10 7.08 0.32 2.95 3.84 -1.26 -4.94 114.94 128.04 2b3x s ASN 637 Ca 0.83 1.33 0.08 0.00 0.21 0.00 0.00 52.86 55.31 2b3x s ASN 637 Cb -0.33 -2.49 0.55 0.00 -0.55 0.00 0.00 41.25 38.43 2b3x s ASN 637 CO 0.34 -0.37 1.76 -1.28 -2.79 0.00 0.00 177.10 174.76 2b3x h SER 638 N 7.15 0.22 1.01 -4.21 0.87 -1.92 -2.91 113.55 113.75 2b3x h SER 638 Ca -0.32 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2b3x h SER 638 Cb 1.15 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2b3x h SER 638 CO 0.83 0.56 0.00 0.11 -0.53 0.00 0.00 176.83 177.79 2b3x h LYS 639 N 0.19 0.00 -6.84 2.24 1.57 -1.96 -3.46 116.57 108.32 2b3x h LYS 639 Ca 0.02 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.29 2b3x h LYS 639 Cb 0.70 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.05 2b3x h LYS 639 CO 0.05 0.00 0.57 0.45 -0.57 0.00 0.00 179.45 179.96 2b3x s SER 640 N -4.74 6.98 0.00 0.86 0.15 -1.10 -4.93 113.70 110.91 2b3x s SER 640 Ca 0.05 2.50 0.13 0.00 0.70 0.00 0.00 55.95 59.33 2b3x s SER 640 Cb 0.09 -2.64 0.08 0.00 -1.71 0.00 0.00 66.02 61.85 2b3x s SER 640 CO 0.48 -0.38 0.88 0.35 1.20 0.00 0.00 173.24 175.78 2b3x n THR 641 N 1.09 0.00 -0.08 6.45 -2.24 -1.26 -4.62 114.28 113.62 2b3x n THR 641 Ca -0.00 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 2b3x n THR 641 Cb 0.43 1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.83 2b3x n THR 641 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2b3x n TYR 642 N 0.54 0.00 -4.07 4.78 4.02 -1.26 -4.76 117.16 116.41 2b3x n TYR 642 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.65 2b3x n TYR 642 Cb 0.32 -0.61 -0.16 0.00 -0.02 0.00 0.00 39.34 38.87 2b3x n TYR 642 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2b3x s ILE 643 N -2.31 1.85 -0.02 -0.72 -1.09 -1.26 -3.14 121.20 114.50 2b3x s ILE 643 Ca -0.18 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.36 2b3x s ILE 643 Cb 0.05 -1.73 0.01 0.00 -1.58 0.00 0.00 42.46 39.21 2b3x s ILE 643 CO 0.39 0.43 -0.03 -0.75 -1.23 0.00 0.00 174.94 173.75 2b3x s LYS 644 N 1.36 0.44 0.09 2.79 2.20 0.41 -4.66 119.74 122.36 2b3x s LYS 644 Ca 0.03 -0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.25 2b3x s LYS 644 Cb -0.14 -0.48 -0.10 0.00 -1.51 0.00 0.00 37.83 35.60 2b3x s LYS 644 CO -0.11 0.00 1.90 0.45 -0.36 0.00 0.00 175.35 177.23 2b3x n SER 645 N 3.47 4.10 -4.83 1.43 2.88 -1.26 -4.72 113.62 114.69 2b3x n SER 645 Ca -0.19 0.95 -0.32 0.00 -1.33 0.00 0.00 58.87 57.99 2b3x n SER 645 Cb 0.55 -1.54 0.01 0.00 -0.75 0.00 0.00 64.21 62.49 2b3x n SER 645 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2b3x s PRO 646 N 3.46 3.38 0.00 -1.46 0.04 -1.26 -4.93 135.00 134.23 2b3x s PRO 646 Ca 0.85 0.96 0.28 0.00 0.04 0.00 0.00 61.00 63.13 2b3x s PRO 646 Cb -0.46 -2.05 0.98 0.00 0.04 0.00 0.00 34.50 33.01 2b3x s PRO 646 CO 0.39 -0.74 1.75 -0.35 0.04 0.00 0.00 177.00 178.09 2b3x n PRO 647 N -2.48 0.03 -0.28 0.56 -0.05 -1.26 -4.52 135.00 127.00 2b3x n PRO 647 Ca 0.07 -0.01 0.09 0.00 -0.05 0.00 0.00 63.50 63.60 2b3x n PRO 647 Cb 0.54 -1.50 0.24 0.00 -0.05 0.00 0.00 33.50 32.72 2b3x n PRO 647 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 2b3x h PHE 648 N 0.02 0.39 -0.49 0.54 0.05 -2.02 -1.14 116.94 114.29 2b3x h PHE 648 Ca 0.00 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.83 2b3x h PHE 648 Cb 0.49 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.40 2b3x h PHE 648 CO 0.00 -0.10 0.00 1.19 -0.18 0.00 0.00 178.31 179.22 2b3x n PHE 649 N -5.14 1.26 -1.78 -0.55 3.72 -1.26 -4.95 117.46 108.76 2b3x n PHE 649 Ca 0.18 -0.68 -0.42 0.00 -0.05 0.00 0.00 57.45 56.48 2b3x n PHE 649 Cb 0.55 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 2b3x n PHE 649 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2b3x s GLU 650 N -2.08 4.14 -1.26 -1.08 2.12 -0.43 -3.01 118.70 117.09 2b3x s GLU 650 Ca 0.45 2.56 -0.10 0.00 0.36 0.00 0.00 54.97 58.24 2b3x s GLU 650 Cb 0.31 -3.05 -0.00 0.00 0.26 0.00 0.00 34.13 31.64 2b3x s GLU 650 CO 0.18 -0.66 0.63 0.09 -0.54 0.00 0.00 175.26 174.96 2b3x n ASN 651 N 2.91 -2.81 -4.77 -1.70 5.03 -1.26 -4.96 115.26 107.69 2b3x n ASN 651 Ca 0.11 -0.99 -0.38 0.00 0.87 0.00 0.00 54.58 54.19 2b3x n ASN 651 Cb 0.37 -3.33 -0.06 0.00 -1.02 0.00 0.00 39.78 35.74 2b3x n ASN 651 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2b3x s LEU 652 N -6.70 4.36 0.25 3.41 0.20 -1.16 -5.09 118.68 113.94 2b3x s LEU 652 Ca 0.23 0.84 0.08 0.00 0.69 0.00 0.00 54.13 55.97 2b3x s LEU 652 Cb -0.08 -2.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 2b3x s LEU 652 CO 0.87 0.16 0.09 0.42 -0.29 0.00 0.00 176.35 177.60 2b3x s THR 653 N -0.15 3.98 0.10 3.68 -4.23 -1.26 -5.02 115.64 112.74 2b3x s THR 653 Ca 0.24 -1.59 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 2b3x s THR 653 Cb -0.16 -3.12 -0.08 0.00 1.34 0.00 0.00 72.50 70.48 2b3x s THR 653 CO 0.11 -0.32 1.43 0.25 -0.54 0.00 0.00 174.62 175.54 2b3x h LEU 654 N 1.81 0.74-10.04 4.79 5.85 -2.00 -3.45 115.31 113.02 2b3x h LEU 654 Ca -0.47 -0.46 -0.45 0.00 0.84 0.00 0.00 57.88 57.35 2b3x h LEU 654 Cb 1.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2b3x h LEU 654 CO 0.60 1.05 0.32 -1.81 -0.34 0.00 0.00 178.44 178.26 2b3x s ASP 655 N -6.52 6.96 0.21 1.25 1.01 -1.26 -5.03 116.67 113.28 2b3x s ASP 655 Ca -0.12 1.66 -0.30 0.00 0.71 0.00 0.00 52.55 54.50 2b3x s ASP 655 Cb 0.09 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 2b3x s ASP 655 CO 0.83 -0.32 0.94 -0.76 0.21 0.00 0.00 175.17 176.06 2b3x s LEU 656 N -3.07 4.61 -0.23 1.23 1.43 -1.26 -5.04 118.68 116.35 2b3x s LEU 656 Ca 0.60 1.90 -0.20 0.00 -1.03 0.00 0.00 54.13 55.41 2b3x s LEU 656 Cb -0.10 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 2b3x s LEU 656 CO 0.14 0.11 0.59 0.00 0.23 0.00 0.00 176.35 177.43 2b3x s GLN 657 N -0.92 4.14 0.11 1.70 1.03 -1.26 -5.06 119.66 119.40 2b3x s GLN 657 Ca 0.42 0.51 -0.31 0.00 0.04 0.00 0.00 55.36 56.02 2b3x s GLN 657 Cb -0.25 -3.62 -0.08 0.00 0.03 0.00 0.00 33.01 29.09 2b3x s GLN 657 CO 0.31 -0.32 1.45 -2.14 -2.54 0.00 0.00 175.29 172.05 2b3x s PRO 658 N 2.19 4.28 0.16 9.60 0.02 -1.26 -4.87 135.00 145.12 2b3x s PRO 658 Ca 0.26 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 2b3x s PRO 658 Cb -0.16 -3.30 -0.07 0.00 0.02 0.00 0.00 34.50 30.99 2b3x s PRO 658 CO 0.09 -0.51 1.05 -1.25 -0.33 0.00 0.00 177.00 176.05 2b3x s PRO 659 N 1.40 4.64 0.18 5.54 0.04 -1.26 -5.01 135.00 140.53 2b3x s PRO 659 Ca 0.66 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 2b3x s PRO 659 Cb -0.38 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 2b3x s PRO 659 CO 0.30 0.14 0.37 0.15 0.04 0.00 0.00 177.00 178.00 2b3x s LYS 660 N -0.29 3.53 0.63 4.56 1.02 -1.26 -4.98 119.74 122.95 2b3x s LYS 660 Ca 0.48 -0.30 -0.18 0.00 0.02 0.00 0.00 55.97 56.00 2b3x s LYS 660 Cb -0.27 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2b3x s LYS 660 CO 0.33 0.43 1.02 0.43 -0.92 0.00 0.00 175.35 176.64 2b3x n SER 661 N -0.43 0.93 -4.57 2.83 7.64 -1.26 -4.87 113.62 113.89 2b3x n SER 661 Ca -0.04 0.78 -0.42 0.00 1.01 0.00 0.00 58.87 60.20 2b3x n SER 661 Cb 0.53 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 62.24 2b3x n SER 661 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2b3x s ILE 662 N -1.54 4.90 -0.27 0.44 1.01 -0.86 -4.97 121.20 119.91 2b3x s ILE 662 Ca 0.77 0.55 -0.08 0.00 0.00 0.00 0.00 60.65 61.90 2b3x s ILE 662 Cb -0.40 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 37.99 2b3x s ILE 662 CO 0.46 -0.31 0.09 -0.69 0.00 0.00 0.00 174.94 174.49 2b3x s VAL 663 N 2.68 4.34 -1.10 2.92 1.01 -1.26 -0.68 120.40 128.31 2b3x s VAL 663 Ca 0.24 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 2b3x s VAL 663 Cb -0.15 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2b3x s VAL 663 CO 0.15 0.24 0.85 0.47 0.00 0.00 0.00 175.10 176.80 2b3x n ASP 664 N 4.93 -5.91 -4.80 3.32 10.43 -1.08 -4.73 116.55 118.71 2b3x n ASP 664 Ca -0.15 -0.88 -0.35 0.00 2.57 0.00 0.00 54.79 55.97 2b3x n ASP 664 Cb 0.50 -4.13 -0.07 0.00 1.84 0.00 0.00 41.12 39.27 2b3x n ASP 664 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2b3x s ALA 665 N -3.42 3.18 0.29 2.24 0.00 0.93 -4.61 121.76 120.36 2b3x s ALA 665 Ca 0.46 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 2b3x s ALA 665 Cb -0.12 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 2b3x s ALA 665 CO 0.81 0.18 0.58 0.71 0.00 0.00 0.00 175.76 178.04 2b3x s TYR 666 N -1.80 3.46 -0.53 0.00 2.02 -0.81 -0.69 117.35 118.99 2b3x s TYR 666 Ca 0.53 0.75 -0.24 0.00 -0.37 0.00 0.00 57.07 57.74 2b3x s TYR 666 Cb -0.15 -2.19 0.04 0.00 -0.40 0.00 0.00 41.96 39.26 2b3x s TYR 666 CO 0.20 0.16 0.91 0.08 -1.57 0.00 0.00 175.55 175.33 2b3x s VAL 667 N -2.06 4.44 0.14 0.71 1.01 -1.26 -1.23 120.40 122.14 2b3x s VAL 667 Ca 0.46 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 2b3x s VAL 667 Cb -0.11 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.77 2b3x s VAL 667 CO 0.28 -1.05 1.60 0.25 0.00 0.00 0.00 175.10 176.18 2b3x h LEU 668 N 10.82 0.75 -7.81 3.92 5.85 -1.67 -3.46 115.31 123.71 2b3x h LEU 668 Ca -0.26 -0.29 -0.23 0.00 0.84 0.00 0.00 57.88 57.94 2b3x h LEU 668 Cb 1.08 -0.20 -0.27 0.00 0.37 0.00 0.00 40.66 41.64 2b3x h LEU 668 CO 1.07 0.85 -0.72 -0.76 -0.34 0.00 0.00 178.44 178.54 2b3x s LEU 669 N -9.46 2.05 -0.45 2.25 1.43 -1.26 -4.70 118.68 108.54 2b3x s LEU 669 Ca -0.13 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2b3x s LEU 669 Cb 0.11 -0.01 0.12 0.00 0.03 0.00 0.00 46.19 46.44 2b3x s LEU 669 CO 0.80 -0.05 0.22 0.21 0.23 0.00 0.00 176.35 177.75 2b3x s ASN 670 N -0.33 4.91 0.28 2.29 3.84 -1.26 -1.07 114.94 123.60 2b3x s ASN 670 Ca -0.03 -2.44 0.08 0.00 0.21 0.00 0.00 52.86 50.68 2b3x s ASN 670 Cb -0.02 -1.74 -0.04 0.00 -0.55 0.00 0.00 41.25 38.91 2b3x s ASN 670 CO -0.00 -0.40 0.18 -0.76 -2.79 0.00 0.00 177.10 173.34 2b3x s LEU 671 N 0.53 3.65 0.00 3.21 1.43 0.73 0.11 118.68 128.35 2b3x s LEU 671 Ca 0.13 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2b3x s LEU 671 Cb -0.22 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2b3x s LEU 671 CO -0.04 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.04 2b3x n GLY 672 N -1.18 1.89 3.83 -3.19 0.00 -1.26 -3.03 105.19 102.25 2b3x n GLY 672 Ca -0.06 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 2b3x n GLY 672 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b3x s ASP 673 N -1.00 6.93 -0.75 1.61 1.01 -1.26 -1.93 116.67 121.27 2b3x s ASP 673 Ca 0.00 1.40 -0.18 0.00 0.71 0.00 0.00 52.55 54.48 2b3x s ASP 673 Cb 0.00 -2.42 0.03 0.00 1.01 0.00 0.00 42.92 41.54 2b3x s ASP 673 CO 0.00 -0.12 0.35 -1.54 0.21 0.00 0.00 175.17 174.07 2b3x n SER 674 N 0.07 -2.00 -4.66 0.27 3.41 0.53 -4.89 113.62 106.35 2b3x n SER 674 Ca 0.02 -0.78 -0.42 0.00 -0.26 0.00 0.00 58.87 57.42 2b3x n SER 674 Cb 0.52 -0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 2b3x n SER 674 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2b3x s VAL 675 N -4.08 3.62 0.62 -3.33 1.01 -1.26 -4.83 120.40 112.15 2b3x s VAL 675 Ca 0.25 0.77 -0.07 0.00 0.00 0.00 0.00 61.98 62.93 2b3x s VAL 675 Cb -0.14 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2b3x s VAL 675 CO 0.59 -0.06 0.96 0.42 0.00 0.00 0.00 175.10 177.00 2b3x s THR 676 N 3.90 3.56 -0.32 3.92 -4.23 -1.26 -0.56 115.64 120.64 2b3x s THR 676 Ca 0.72 0.12 0.25 0.00 -1.18 0.00 0.00 61.69 61.59 2b3x s THR 676 Cb -0.33 -3.44 0.26 0.00 1.34 0.00 0.00 72.50 70.34 2b3x s THR 676 CO 0.28 -0.49 1.75 0.71 -0.54 0.00 0.00 174.62 176.34 2b3x h THR 677 N -0.32 0.00 0.00 3.99 1.35 -1.33 -0.85 112.91 115.75 2b3x h THR 677 Ca -0.45 -0.21 -0.09 0.00 -0.55 0.00 0.00 66.41 65.11 2b3x h THR 677 Cb 1.26 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2b3x h THR 677 CO 0.61 0.00 -0.43 -0.78 -0.25 0.00 0.00 175.52 174.68 2b3x h ASP 678 N 0.00 0.00 -0.02 5.36 1.82 -1.82 0.20 116.42 121.96 2b3x h ASP 678 Ca 0.00 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.46 2b3x h ASP 678 Cb 0.30 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.32 2b3x h ASP 678 CO 0.00 0.43 -0.70 0.45 -1.61 0.00 0.00 179.24 177.81 2b3x h HIS 679 N 0.00 0.75 -0.38 0.28 3.86 -1.54 -2.61 115.15 115.50 2b3x h HIS 679 Ca -0.00 -0.39 -0.12 0.00 -1.16 0.00 0.00 60.37 58.70 2b3x h HIS 679 Cb 1.02 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 2b3x h HIS 679 CO 0.00 1.21 -0.22 0.82 0.86 0.00 0.00 177.93 180.60 2b3x h ILE 680 N 0.08 1.28 -2.05 2.45 2.04 -1.42 -3.32 117.51 116.56 2b3x h ILE 680 Ca -0.08 -1.36 -0.42 0.00 1.00 0.00 0.00 64.86 64.00 2b3x h ILE 680 Cb 1.38 1.33 -0.32 0.00 -0.74 0.00 0.00 36.82 38.47 2b3x h ILE 680 CO 0.14 0.45 -0.75 -0.55 0.00 0.00 0.00 178.15 177.45 2b3x s SER 681 N -6.57 1.33 0.58 1.72 0.15 0.69 -0.25 113.70 111.35 2b3x s SER 681 Ca -0.12 -1.93 -0.20 0.00 0.70 0.00 0.00 55.95 54.40 2b3x s SER 681 Cb 0.10 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 2b3x s SER 681 CO 0.84 -0.24 1.29 -2.16 1.20 0.00 0.00 173.24 174.18 2b3x s PRO 682 N 1.11 2.95 -0.01 5.44 0.04 -0.98 -4.30 135.00 139.25 2b3x s PRO 682 Ca 0.20 2.07 0.12 0.00 0.04 0.00 0.00 61.00 63.43 2b3x s PRO 682 Cb -0.13 -2.06 -0.18 0.00 0.04 0.00 0.00 34.50 32.17 2b3x s PRO 682 CO -0.04 -1.29 0.32 0.00 0.04 0.00 0.00 177.00 176.03 2b3x n ALA 683 N -1.40 2.69 -1.85 8.56 0.00 -1.26 -4.53 120.51 122.73 2b3x n ALA 683 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2b3x n ALA 683 Cb 0.47 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2b3x n ALA 683 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3x n GLY 684 N 1.69 1.76 3.42 0.00 0.00 -1.26 -0.84 105.19 109.96 2b3x n GLY 684 Ca -0.01 -1.71 -0.55 0.00 0.00 0.00 0.00 46.02 43.75 2b3x n GLY 684 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b3x n ASN 685 N 0.00 -0.33 -4.50 1.61 5.15 -1.26 -1.33 115.26 114.60 2b3x n ASN 685 Ca 0.00 1.13 -0.42 0.00 -0.60 0.00 0.00 54.58 54.69 2b3x n ASN 685 Cb 0.00 -0.91 -0.09 0.00 -0.53 0.00 0.00 39.78 38.25 2b3x n ASN 685 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2b3x s ILE 686 N -0.26 5.11 0.41 -1.44 1.01 -1.26 -4.79 121.20 119.98 2b3x s ILE 686 Ca 0.83 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.97 2b3x s ILE 686 Cb -1.16 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 37.24 2b3x s ILE 686 CO 0.56 -0.34 1.28 0.00 0.00 0.00 0.00 174.94 176.44 2b3x s ALA 687 N 2.10 3.21 0.23 9.38 0.00 -1.26 -4.92 121.76 130.50 2b3x s ALA 687 Ca 0.12 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.20 2b3x s ALA 687 Cb -0.17 -3.47 0.35 0.00 0.00 0.00 0.00 23.12 19.83 2b3x s ALA 687 CO 0.13 -0.80 1.78 0.00 0.00 0.00 0.00 175.76 176.87 2b3x h ARG 688 N 2.58 0.58 -3.97 0.00 3.08 -1.99 -3.21 114.38 111.46 2b3x h ARG 688 Ca -0.49 -0.04 -0.78 0.00 0.07 0.00 0.00 59.98 58.74 2b3x h ARG 688 Cb 1.25 -0.13 -0.24 0.00 0.08 0.00 0.00 29.97 30.92 2b3x h ARG 688 CO 0.62 0.39 0.80 0.27 -1.07 0.00 0.00 179.97 180.98 2b3x n ASN 689 N -4.87 5.43 -3.59 7.04 2.04 -1.26 -4.76 115.26 115.29 2b3x n ASN 689 Ca 0.11 -3.02 -0.16 0.00 -0.44 0.00 0.00 54.58 51.07 2b3x n ASN 689 Cb 0.29 -1.45 -0.07 0.00 -2.53 0.00 0.00 39.78 36.02 2b3x n ASN 689 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2b3x s SER 690 N 1.79 -0.50 0.27 0.53 1.04 -1.21 -5.05 113.70 110.57 2b3x s SER 690 Ca 0.35 0.45 -0.02 0.00 0.48 0.00 0.00 55.95 57.22 2b3x s SER 690 Cb -0.07 0.47 0.43 0.00 0.10 0.00 0.00 66.02 66.95 2b3x s SER 690 CO -0.05 -0.59 1.88 1.55 0.98 0.00 0.00 173.24 177.02 2b3x h PRO 691 N 3.18 1.12 -0.70 4.02 0.13 -1.90 -2.14 132.00 135.72 2b3x h PRO 691 Ca -0.28 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2b3x h PRO 691 Cb 1.16 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 2b3x h PRO 691 CO 0.40 0.74 0.39 0.00 -0.23 0.00 0.00 178.00 179.30 2b3x h ALA 692 N 1.47 0.89 -0.87 -0.56 0.00 -1.87 -1.47 119.26 116.85 2b3x h ALA 692 Ca 0.43 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2b3x h ALA 692 Cb 0.19 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2b3x h ALA 692 CO -0.18 0.39 0.56 0.00 0.00 0.00 0.00 179.25 180.03 2b3x h ALA 693 N 1.20 1.55 -0.21 0.00 0.00 -1.63 -1.66 119.26 118.51 2b3x h ALA 693 Ca 0.25 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 2b3x h ALA 693 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2b3x h ALA 693 CO -0.04 0.32 -0.56 0.00 0.00 0.00 0.00 179.25 178.96 2b3x h ARG 694 N 0.97 0.75 -0.57 0.00 3.08 -0.91 0.32 114.38 118.02 2b3x h ARG 694 Ca 0.37 -0.53 0.07 0.00 0.07 0.00 0.00 59.98 59.96 2b3x h ARG 694 Cb 0.21 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 2b3x h ARG 694 CO -0.14 1.15 0.26 -0.92 -1.07 0.00 0.00 179.97 179.25 2b3x h TYR 695 N 0.47 0.47 -0.18 3.04 3.20 -1.14 -1.67 116.97 121.16 2b3x h TYR 695 Ca -0.01 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 2b3x h TYR 695 Cb 1.18 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 39.33 2b3x h TYR 695 CO 0.09 0.19 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.14 2b3x h LEU 696 N 0.49 0.83 -0.64 2.82 3.38 -1.14 -2.94 115.31 118.10 2b3x h LEU 696 Ca 0.27 -0.59 0.07 0.00 0.09 0.00 0.00 57.88 57.71 2b3x h LEU 696 Cb 0.24 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2b3x h LEU 696 CO -0.22 1.28 0.33 0.74 0.09 0.00 0.00 178.44 180.66 2b3x h THR 697 N 0.42 0.91 0.00 0.22 2.02 -0.90 -1.78 112.91 113.81 2b3x h THR 697 Ca -0.02 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2b3x h THR 697 Cb 1.21 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2b3x h THR 697 CO 0.12 0.11 -0.03 0.78 0.37 0.00 0.00 175.52 176.88 2b3x h ASN 698 N 0.60 0.00 -0.56 4.18 -0.26 -1.25 0.27 115.58 118.56 2b3x h ASN 698 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 2b3x h ASN 698 Cb 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 2b3x h ASN 698 CO -0.21 0.03 0.00 0.54 -1.06 0.00 0.00 177.43 176.73 2b3x n ARG 699 N -3.41 3.23 -0.61 0.81 1.74 -0.74 -4.94 116.66 112.75 2b3x n ARG 699 Ca -0.02 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.65 2b3x n ARG 699 Cb 0.14 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 2b3x n ARG 699 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b3x n GLY 700 N 1.06 0.74 3.82 -0.13 0.00 0.08 -5.05 105.19 105.71 2b3x n GLY 700 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2b3x n GLY 700 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b3x s LEU 701 N 0.00 4.31 0.16 0.99 1.43 -0.78 -4.99 118.68 119.80 2b3x s LEU 701 Ca 0.00 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 2b3x s LEU 701 Cb 0.00 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2b3x s LEU 701 CO 0.00 -0.00 0.31 0.42 0.23 0.00 0.00 176.35 177.31 2b3x s THR 702 N -1.59 5.30 0.37 5.49 -4.23 -1.26 -4.00 115.64 115.72 2b3x s THR 702 Ca 0.45 -0.62 0.20 0.00 -1.18 0.00 0.00 61.69 60.54 2b3x s THR 702 Cb -0.16 -3.74 0.37 0.00 1.34 0.00 0.00 72.50 70.31 2b3x s THR 702 CO 0.21 -0.12 1.64 -0.65 -0.54 0.00 0.00 174.62 175.16 2b3x h PRO 703 N 2.08 0.20 0.00 3.99 0.11 -1.98 0.26 132.00 136.67 2b3x h PRO 703 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2b3x h PRO 703 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2b3x h PRO 703 CO 0.68 0.13 0.00 2.89 -0.21 0.00 0.00 178.00 181.50 2b3x n ARG 704 N -4.99 0.05 -0.00 1.05 1.85 -1.26 -2.02 116.66 111.34 2b3x n ARG 704 Ca 0.34 0.24 0.10 0.00 -1.00 0.00 0.00 57.85 57.52 2b3x n ARG 704 Cb 1.14 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.93 2b3x n ARG 704 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2b3x n GLU 705 N -1.45 0.57 -0.32 2.89 1.02 0.92 -4.55 120.64 119.72 2b3x n GLU 705 Ca 0.04 -0.07 0.16 0.00 -0.02 0.00 0.00 57.16 57.28 2b3x n GLU 705 Cb 0.15 -1.44 0.36 0.00 -0.02 0.00 0.00 31.44 30.48 2b3x n GLU 705 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2b3x h PHE 706 N 0.00 0.78 -1.44 -0.32 0.04 -1.31 -3.48 116.94 111.22 2b3x h PHE 706 Ca 0.00 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.87 2b3x h PHE 706 Cb 0.63 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 2b3x h PHE 706 CO 0.00 -0.05 -0.08 -1.71 -0.60 0.00 0.00 178.31 175.87 2b3x n ASN 707 N -5.02 -4.14 -4.93 2.17 2.85 -1.26 -4.89 115.26 100.04 2b3x n ASN 707 Ca 0.25 0.24 -0.26 0.00 -0.11 0.00 0.00 54.58 54.71 2b3x n ASN 707 Cb 0.74 -0.69 0.02 0.00 1.24 0.00 0.00 39.78 41.09 2b3x n ASN 707 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2b3x s SER 708 N -4.31 5.86 0.37 1.20 1.04 -1.26 -4.31 113.70 112.29 2b3x s SER 708 Ca 0.00 0.64 0.04 0.00 0.48 0.00 0.00 55.95 57.12 2b3x s SER 708 Cb 0.00 -1.81 0.71 0.00 0.10 0.00 0.00 66.02 65.02 2b3x s SER 708 CO 0.00 -0.80 2.00 1.88 0.98 0.00 0.00 173.24 177.29 2b3x h TYR 709 N 0.13 0.63 -0.16 5.02 -1.99 -1.01 -2.77 116.97 116.82 2b3x h TYR 709 Ca -0.46 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.31 2b3x h TYR 709 Cb 1.24 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 39.71 2b3x h TYR 709 CO 0.50 0.45 -0.20 0.78 -0.00 0.00 0.00 178.16 179.68 2b3x h GLY 710 N 0.73 -0.15 2.00 3.88 0.00 -1.22 -2.47 103.07 105.84 2b3x h GLY 710 Ca 0.17 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2b3x h GLY 710 CO -0.03 -0.18 0.00 1.48 0.00 0.00 0.00 176.54 177.81 2b3x h SER 711 N -0.24 0.00 -0.60 0.19 4.64 -1.76 -2.46 113.55 113.32 2b3x h SER 711 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2b3x h SER 711 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2b3x h SER 711 CO -0.30 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.20 2b3x n ARG 712 N -2.48 3.46 0.05 4.77 5.12 -0.93 -4.51 116.66 122.14 2b3x n ARG 712 Ca -0.00 -2.77 0.06 0.00 -1.93 0.00 0.00 57.85 53.21 2b3x n ARG 712 Cb 0.14 -1.78 0.30 0.00 -1.16 0.00 0.00 32.46 29.96 2b3x n ARG 712 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2b3x n ARG 713 N 1.00 0.06 -0.01 5.56 1.74 -0.93 -0.92 116.66 123.16 2b3x n ARG 713 Ca 0.24 0.43 0.14 0.00 -0.77 0.00 0.00 57.85 57.89 2b3x n ARG 713 Cb 0.81 -1.65 0.70 0.00 -1.02 0.00 0.00 32.46 31.30 2b3x n ARG 713 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b3x n GLY 714 N -0.71 -0.59 2.85 -0.13 0.00 -1.25 -4.39 105.19 100.97 2b3x n GLY 714 Ca 0.01 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2b3x n GLY 714 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b3x s ASN 715 N -1.88 4.25 0.56 1.61 3.84 -0.10 -0.45 114.94 122.77 2b3x s ASN 715 Ca 0.40 -2.15 0.25 0.00 0.21 0.00 0.00 52.86 51.57 2b3x s ASN 715 Cb 0.20 -1.24 1.53 0.00 -0.55 0.00 0.00 41.25 41.18 2b3x s ASN 715 CO 0.32 -0.36 2.12 -2.24 -2.79 0.00 0.00 177.10 174.15 2b3x h ASP 716 N 7.50 0.00 -0.32 -4.21 3.04 -1.83 -2.07 116.42 118.52 2b3x h ASP 716 Ca -0.07 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.66 2b3x h ASP 716 Cb 0.99 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.26 2b3x h ASP 716 CO 0.51 0.00 -0.00 0.00 -2.04 0.00 0.00 179.24 177.71 2b3x h ALA 717 N 1.86 0.43 0.01 4.15 0.00 -1.95 -0.39 119.26 123.38 2b3x h ALA 717 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2b3x h ALA 717 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2b3x h ALA 717 CO -0.00 0.19 -0.01 0.28 0.00 0.00 0.00 179.25 179.71 2b3x h VAL 718 N 0.37 1.17 -0.49 0.00 2.07 -1.73 -3.02 116.25 114.62 2b3x h VAL 718 Ca 0.09 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2b3x h VAL 718 Cb 0.45 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2b3x h VAL 718 CO 0.02 0.14 0.26 0.24 0.02 0.00 0.00 177.57 178.25 2b3x h MET 719 N -0.25 0.67 -0.55 1.57 2.86 -1.33 -1.43 114.93 116.47 2b3x h MET 719 Ca -0.00 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 2b3x h MET 719 Cb 0.25 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2b3x h MET 719 CO 0.00 0.50 0.01 0.00 1.06 0.00 0.00 176.91 178.49 2b3x h ALA 720 N 1.61 0.73 0.00 6.32 0.00 -1.12 -2.79 119.26 124.02 2b3x h ALA 720 Ca 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2b3x h ALA 720 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2b3x h ALA 720 CO -0.03 0.55 -0.16 0.00 0.00 0.00 0.00 179.25 179.61 2b3x h ARG 721 N 0.84 0.00 -0.11 0.00 3.08 -1.16 -2.41 114.38 114.62 2b3x h ARG 721 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2b3x h ARG 721 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2b3x h ARG 721 CO 0.03 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.50 2b3x n GLY 722 N -0.45 0.40 3.69 0.04 0.00 -0.69 -4.36 105.19 103.83 2b3x n GLY 722 Ca -0.01 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2b3x n GLY 722 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3x s THR 723 N -1.88 3.83 -1.38 2.61 2.01 -0.91 -2.16 115.64 117.77 2b3x s THR 723 Ca 0.35 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.56 2b3x s THR 723 Cb 0.20 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2b3x s THR 723 CO 0.30 0.01 0.00 0.49 -0.69 0.00 0.00 174.62 174.73 2b3x n PHE 724 N 5.19 -1.13 0.71 4.92 3.72 0.65 -4.45 117.46 127.07 2b3x n PHE 724 Ca 0.12 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.58 2b3x n PHE 724 Cb 0.44 -3.18 0.18 0.00 -0.94 0.00 0.00 39.48 35.98 2b3x n PHE 724 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b3x n ALA 725 N -1.76 2.48 -2.11 4.37 0.00 -0.92 -4.60 120.51 117.97 2b3x n ALA 725 Ca -0.18 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.13 2b3x n ALA 725 Cb 0.62 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 2b3x n ALA 725 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2b3x s ASN 726 N -0.97 6.76 0.06 0.00 3.84 -1.26 -4.83 114.94 118.55 2b3x s ASN 726 Ca 0.26 2.31 0.12 0.00 0.21 0.00 0.00 52.86 55.77 2b3x s ASN 726 Cb 0.14 -2.57 0.52 0.00 -0.55 0.00 0.00 41.25 38.79 2b3x s ASN 726 CO 0.17 -0.74 1.37 2.30 -2.79 0.00 0.00 177.10 177.41 2b3x n ILE 727 N 4.38 1.28 -0.02 -5.21 -5.35 -1.26 -1.97 119.36 111.21 2b3x n ILE 727 Ca 0.13 0.36 0.07 0.00 -0.27 0.00 0.00 62.75 63.04 2b3x n ILE 727 Cb 0.42 -1.23 0.15 0.00 -1.74 0.00 0.00 39.64 37.24 2b3x n ILE 727 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2b3x n ARG 728 N -1.65 2.36 -1.70 6.28 1.74 -1.26 -3.84 116.66 118.58 2b3x n ARG 728 Ca 0.02 -1.94 -0.43 0.00 -0.77 0.00 0.00 57.85 54.73 2b3x n ARG 728 Cb 0.12 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 2b3x n ARG 728 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2b3x n LEU 729 N 0.71 3.93 -4.28 0.55 7.94 -0.83 -4.75 117.00 120.27 2b3x n LEU 729 Ca 0.12 1.03 -0.45 0.00 -1.11 0.00 0.00 56.01 55.61 2b3x n LEU 729 Cb 0.43 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.79 2b3x n LEU 729 CO 0.09 0.14 0.35 -0.22 -1.11 0.00 0.00 177.39 176.64 2b3x s LEU 730 N 1.78 6.42 -0.22 -1.96 2.96 -1.26 -1.92 118.68 124.48 2b3x s LEU 730 Ca 0.78 -2.76 -0.26 0.00 -0.22 0.00 0.00 54.13 51.67 2b3x s LEU 730 Cb -0.51 -2.13 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 2b3x s LEU 730 CO 0.35 -0.52 0.90 0.21 -1.32 0.00 0.00 176.35 175.97 2b3x s ASN 731 N 1.80 6.96 0.00 3.68 2.47 -1.26 -4.28 114.94 124.30 2b3x s ASN 731 Ca 0.18 1.19 0.21 0.00 0.42 0.00 0.00 52.86 54.87 2b3x s ASN 731 Cb -0.12 -2.48 1.28 0.00 -1.45 0.00 0.00 41.25 38.48 2b3x s ASN 731 CO -0.08 -0.54 1.78 0.54 -3.72 0.00 0.00 177.10 175.08 2b3x n ARG 732 N 5.92 0.92 0.14 0.43 1.74 0.12 -1.56 116.66 124.37 2b3x n ARG 732 Ca 0.08 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.17 2b3x n ARG 732 Cb 0.47 -1.36 0.11 0.00 -1.02 0.00 0.00 32.46 30.66 2b3x n ARG 732 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2b3x h PHE 733 N 0.00 0.00 0.00 -1.55 0.04 -1.93 -3.37 116.94 110.13 2b3x h PHE 733 Ca 0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 2b3x h PHE 733 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2b3x h PHE 733 CO 0.00 0.58 -1.48 1.28 -0.60 0.00 0.00 178.31 178.08 2b3x n LEU 734 N -3.41 0.00 -1.86 1.54 4.77 -0.76 -4.98 117.00 112.30 2b3x n LEU 734 Ca 0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 2b3x n LEU 734 Cb 0.69 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.84 2b3x n LEU 734 CO 0.41 0.10 -0.22 0.59 -1.33 0.00 0.00 177.39 176.94 2b3x n ASN 735 N -2.06 -5.46 -4.05 -1.43 3.02 -0.60 -4.99 115.26 99.70 2b3x n ASN 735 Ca -0.08 0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.60 2b3x n ASN 735 Cb 0.50 -4.58 -0.09 0.00 -0.61 0.00 0.00 39.78 35.01 2b3x n ASN 735 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2b3x s LYS 736 N -4.33 0.95 -0.24 3.52 -2.85 -1.26 -5.08 119.74 110.45 2b3x s LYS 736 Ca 0.00 -1.27 -0.29 0.00 -1.00 0.00 0.00 55.97 53.41 2b3x s LYS 736 Cb 0.00 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 36.05 2b3x s LYS 736 CO 0.00 -0.29 1.46 -0.65 0.10 0.00 0.00 175.35 175.97 2b3x s GLN 737 N -3.98 3.90 -0.29 1.78 -0.21 -1.26 -4.23 119.66 115.37 2b3x s GLN 737 Ca 0.17 1.52 -0.21 0.00 0.02 0.00 0.00 55.36 56.87 2b3x s GLN 737 Cb 0.06 -3.95 0.14 0.00 1.00 0.00 0.00 33.01 30.26 2b3x s GLN 737 CO -0.02 -1.16 1.04 0.00 -2.12 0.00 0.00 175.29 173.04 2b3x s ALA 738 N 4.68 -2.15 -0.10 6.09 0.00 -0.81 -4.89 121.76 124.58 2b3x s ALA 738 Ca 0.64 2.02 -0.06 0.00 0.00 0.00 0.00 51.96 54.57 2b3x s ALA 738 Cb -0.22 -1.61 -0.20 0.00 0.00 0.00 0.00 23.12 21.10 2b3x s ALA 738 CO 0.26 -0.28 3.45 -0.35 0.00 0.00 0.00 175.76 178.83 2b3x n PRO 739 N 2.89 2.09 -4.23 0.00 -0.04 -1.25 -4.52 135.00 129.94 2b3x n PRO 739 Ca -0.15 -1.29 -0.13 0.00 -0.04 0.00 0.00 63.50 61.89 2b3x n PRO 739 Cb 0.57 -2.03 -0.10 0.00 -0.04 0.00 0.00 33.50 31.89 2b3x n PRO 739 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2b3x s GLN 740 N 0.42 1.13 0.30 0.54 -0.21 -1.26 -2.82 119.66 117.76 2b3x s GLN 740 Ca 0.65 -1.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.46 2b3x s GLN 740 Cb 0.33 -0.13 0.01 0.00 1.00 0.00 0.00 33.01 34.22 2b3x s GLN 740 CO -0.05 -0.20 0.42 -2.37 -2.12 0.00 0.00 175.29 170.97 2b3x n THR 741 N -0.25 0.00 -4.10 -0.19 5.66 -0.00 -4.81 114.28 110.59 2b3x n THR 741 Ca -0.05 -1.52 -0.34 0.00 -3.05 0.00 0.00 64.05 59.08 2b3x n THR 741 Cb 0.64 0.94 -0.10 0.00 -1.55 0.00 0.00 70.33 70.26 2b3x n THR 741 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2b3x s ILE 742 N -2.76 4.61 -0.64 1.09 1.01 -1.26 -0.74 121.20 122.52 2b3x s ILE 742 Ca 0.25 -0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.54 2b3x s ILE 742 Cb -0.01 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.44 2b3x s ILE 742 CO 0.18 0.48 1.14 -2.28 0.00 0.00 0.00 174.94 174.46 2b3x s HIS 743 N 0.26 2.55 0.20 3.97 5.65 -0.20 -4.94 115.29 122.78 2b3x s HIS 743 Ca 0.02 0.05 -0.09 0.00 0.25 0.00 0.00 55.06 55.30 2b3x s HIS 743 Cb -0.13 -4.43 0.14 0.00 -1.18 0.00 0.00 32.58 26.98 2b3x s HIS 743 CO 0.01 -1.71 1.77 -0.07 -0.65 0.00 0.00 174.74 174.09 2b3x h LEU 744 N 12.01 1.04 -1.02 8.88 3.38 -1.94 0.27 115.31 137.93 2b3x h LEU 744 Ca -0.27 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.60 2b3x h LEU 744 Cb 1.06 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 2b3x h LEU 744 CO 1.20 0.93 0.65 -0.65 0.09 0.00 0.00 178.44 180.65 2b3x h PRO 745 N 1.08 1.12 0.00 1.13 0.11 -1.99 -3.22 132.00 130.23 2b3x h PRO 745 Ca 0.25 -0.07 -0.25 0.00 0.11 0.00 0.00 66.00 66.04 2b3x h PRO 745 Cb 0.22 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 31.03 2b3x h PRO 745 CO -0.02 0.74 -2.06 -1.13 -0.21 0.00 0.00 178.00 175.32 2b3x n SER 746 N -4.51 0.25 0.00 -2.05 3.41 -1.01 -5.00 113.62 104.71 2b3x n SER 746 Ca 0.16 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2b3x n SER 746 Cb 0.20 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 2b3x n SER 746 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b3x n GLY 747 N 1.57 1.11 3.75 5.00 0.00 0.92 -5.05 105.19 112.49 2b3x n GLY 747 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 2b3x n GLY 747 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b3x s GLU 748 N -0.57 4.54 0.07 1.61 2.02 -1.23 -4.76 118.70 120.38 2b3x s GLU 748 Ca 0.00 1.87 -0.29 0.00 0.02 0.00 0.00 54.97 56.57 2b3x s GLU 748 Cb 0.00 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 2b3x s GLU 748 CO 0.00 0.02 0.94 0.42 0.02 0.00 0.00 175.26 176.66 2b3x s ILE 749 N -0.59 4.65 0.04 -1.63 -1.09 -1.26 -1.03 121.20 120.29 2b3x s ILE 749 Ca 0.49 2.00 -0.06 0.00 -2.23 0.00 0.00 60.65 60.85 2b3x s ILE 749 Cb -0.33 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.25 2b3x s ILE 749 CO 0.40 0.27 0.10 -0.76 -1.23 0.00 0.00 174.94 173.72 2b3x s LEU 750 N 0.31 1.79 0.41 2.97 1.43 0.08 -4.96 118.68 120.72 2b3x s LEU 750 Ca 0.47 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.76 2b3x s LEU 750 Cb -0.22 0.62 -0.10 0.00 0.03 0.00 0.00 46.19 46.52 2b3x s LEU 750 CO 0.28 -0.53 1.32 0.47 0.23 0.00 0.00 176.35 178.13 2b3x n ASP 751 N 0.69 2.84 -0.20 2.29 8.00 -1.26 -0.82 116.55 128.09 2b3x n ASP 751 Ca -0.19 1.13 0.01 0.00 0.71 0.00 0.00 54.79 56.45 2b3x n ASP 751 Cb 0.59 -1.53 0.11 0.00 -0.02 0.00 0.00 41.12 40.27 2b3x n ASP 751 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2b3x h VAL 752 N 2.26 0.64 -0.51 2.53 2.07 -1.82 0.48 116.25 121.90 2b3x h VAL 752 Ca -0.48 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.05 2b3x h VAL 752 Cb 1.28 0.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 2b3x h VAL 752 CO 0.61 0.05 -0.01 0.15 0.02 0.00 0.00 177.57 178.38 2b3x h PHE 753 N 0.25 -0.05 -0.56 1.57 3.57 -1.83 -1.95 116.94 117.94 2b3x h PHE 753 Ca 0.31 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.76 2b3x h PHE 753 Cb 0.46 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2b3x h PHE 753 CO -0.25 -0.13 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.24 2b3x h ASP 754 N 0.11 0.97 -0.42 0.41 3.32 -1.30 -1.17 116.42 118.33 2b3x h ASP 754 Ca 0.26 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2b3x h ASP 754 Cb 0.39 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2b3x h ASP 754 CO -0.44 1.03 0.06 0.00 -1.72 0.00 0.00 179.24 178.18 2b3x h ALA 755 N 1.06 0.56 -0.46 3.45 0.00 -1.15 -2.50 119.26 120.23 2b3x h ALA 755 Ca 0.16 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2b3x h ALA 755 Cb 0.55 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2b3x h ALA 755 CO 0.03 0.29 0.24 0.00 0.00 0.00 0.00 179.25 179.81 2b3x h ALA 756 N 0.93 0.58 -0.76 0.00 0.00 -1.03 -1.81 119.26 117.17 2b3x h ALA 756 Ca 0.13 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2b3x h ALA 756 Cb 0.39 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2b3x h ALA 756 CO 0.01 -0.10 0.44 0.93 0.00 0.00 0.00 179.25 180.53 2b3x h GLU 757 N 0.48 0.76 0.07 0.00 5.08 -1.13 0.25 114.58 120.09 2b3x h GLU 757 Ca 0.19 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2b3x h GLU 757 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2b3x h GLU 757 CO -0.12 0.51 -0.10 0.00 -1.00 0.00 0.00 179.01 178.29 2b3x h ARG 758 N 0.79 -0.20 0.04 2.33 2.47 -0.89 -0.36 114.38 118.56 2b3x h ARG 758 Ca 0.35 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 59.11 2b3x h ARG 758 Cb 0.24 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.56 2b3x h ARG 758 CO -0.20 -0.13 -0.25 1.88 0.56 0.00 0.00 179.97 181.83 2b3x h TYR 759 N -0.21 -0.67 -0.63 3.04 0.05 -1.01 -2.77 116.97 114.77 2b3x h TYR 759 Ca 0.01 0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.89 2b3x h TYR 759 Cb 0.21 0.29 -0.06 0.00 1.01 0.00 0.00 36.73 38.18 2b3x h TYR 759 CO -0.13 -0.34 0.29 1.96 -1.05 0.00 0.00 178.16 178.89 2b3x h GLN 760 N -0.41 0.51 0.00 4.88 4.20 -0.30 -1.74 115.11 122.25 2b3x h GLN 760 Ca 0.05 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2b3x h GLN 760 Cb 0.47 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2b3x h GLN 760 CO -0.19 0.34 -0.17 1.96 -0.67 0.00 0.00 178.83 180.10 2b3x h GLN 761 N 0.53 0.00 -0.03 1.46 4.20 -0.95 0.17 115.11 120.49 2b3x h GLN 761 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2b3x h GLN 761 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2b3x h GLN 761 CO -0.24 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 178.09 2b3x n ALA 762 N -2.45 2.59 -1.66 3.87 0.00 -0.88 -4.94 120.51 117.03 2b3x n ALA 762 Ca -0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 52.96 2b3x n ALA 762 Cb 0.24 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 2b3x n ALA 762 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b3x n GLY 763 N 1.12 0.46 3.67 0.00 0.00 0.05 -5.02 105.19 105.47 2b3x n GLY 763 Ca 0.19 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 2b3x n GLY 763 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b3x s LEU 764 N -1.46 4.17 0.75 0.99 1.43 -0.71 -5.01 118.68 118.84 2b3x s LEU 764 Ca 0.00 0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 2b3x s LEU 764 Cb 0.00 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.57 2b3x s LEU 764 CO 0.00 -0.15 1.13 -2.84 0.23 0.00 0.00 176.35 174.72 2b3x s PRO 765 N 1.47 2.22 0.05 1.29 0.02 -1.26 -4.31 135.00 134.49 2b3x s PRO 765 Ca 0.24 1.44 0.05 0.00 0.02 0.00 0.00 61.00 62.75 2b3x s PRO 765 Cb -0.15 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 2b3x s PRO 765 CO 0.10 -1.71 -0.13 -0.51 -0.33 0.00 0.00 177.00 174.42 2b3x s LEU 766 N -5.49 2.23 0.25 -5.54 1.43 -1.07 -1.92 118.68 108.56 2b3x s LEU 766 Ca 0.67 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 2b3x s LEU 766 Cb -0.22 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 2b3x s LEU 766 CO 0.49 -0.05 -0.03 0.27 0.23 0.00 0.00 176.35 177.26 2b3x s ILE 767 N -1.09 1.31 -0.06 -0.59 -4.36 -0.37 -0.31 121.20 115.73 2b3x s ILE 767 Ca -0.01 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.35 2b3x s ILE 767 Cb -0.09 -2.36 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 2b3x s ILE 767 CO 0.02 -0.34 -0.21 -0.69 0.24 0.00 0.00 174.94 173.96 2b3x s VAL 768 N -3.24 2.47 -0.11 8.37 1.01 -0.82 -1.66 120.40 126.42 2b3x s VAL 768 Ca 0.28 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 2b3x s VAL 768 Cb 0.05 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2b3x s VAL 768 CO 0.10 0.57 0.08 -0.76 0.00 0.00 0.00 175.10 175.09 2b3x s LEU 769 N -0.28 4.06 0.17 3.92 1.43 -0.23 -0.29 118.68 127.47 2b3x s LEU 769 Ca 0.00 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 2b3x s LEU 769 Cb -0.13 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 2b3x s LEU 769 CO 0.03 0.38 0.34 0.00 0.23 0.00 0.00 176.35 177.33 2b3x s ALA 770 N -0.89 -0.20 0.00 4.21 0.00 0.14 -0.19 121.76 124.83 2b3x s ALA 770 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2b3x s ALA 770 Cb -0.12 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.86 2b3x s ALA 770 CO 0.03 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2b3x n GLY 771 N -0.24 1.48 3.81 0.00 0.00 -0.81 -3.29 105.19 106.13 2b3x n GLY 771 Ca -0.08 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 2b3x n GLY 771 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3x s LYS 772 N 2.88 3.18 -1.62 1.61 1.02 -1.26 -0.98 119.74 124.58 2b3x s LYS 772 Ca 0.00 1.11 -0.15 0.00 0.02 0.00 0.00 55.97 56.94 2b3x s LYS 772 Cb 0.00 -2.02 0.12 0.00 -0.52 0.00 0.00 37.83 35.41 2b3x s LYS 772 CO 0.00 -0.91 0.80 0.39 -0.92 0.00 0.00 175.35 174.71 2b3x n GLU 773 N -2.44 -3.84 -1.89 1.68 1.02 -1.15 -0.35 120.64 113.66 2b3x n GLU 773 Ca 0.08 0.44 -0.42 0.00 -0.02 0.00 0.00 57.16 57.24 2b3x n GLU 773 Cb 0.53 -5.14 -0.03 0.00 -0.02 0.00 0.00 31.44 26.78 2b3x n GLU 773 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2b3x s TYR 774 N -3.37 2.75 0.00 -0.32 6.14 -0.31 -3.50 117.35 118.75 2b3x s TYR 774 Ca 0.63 0.44 0.00 0.00 0.64 0.00 0.00 57.07 58.78 2b3x s TYR 774 Cb -0.34 -3.98 0.00 0.00 0.42 0.00 0.00 41.96 38.06 2b3x s TYR 774 CO 0.90 -3.78 0.00 0.41 0.64 0.00 0.00 175.55 173.71 2b3x n GLY 775 N 3.90 1.08 3.80 8.97 0.00 0.28 -1.43 105.19 121.79 2b3x n GLY 775 Ca 0.15 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2b3x n GLY 775 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3x s ALA 776 N -2.17 2.75 0.00 4.61 0.00 -1.15 -4.44 121.76 121.36 2b3x s ALA 776 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2b3x s ALA 776 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2b3x s ALA 776 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2b3x n GLY 777 N -0.93 1.07 3.21 0.00 0.00 -1.26 -1.10 105.19 106.18 2b3x n GLY 777 Ca 0.09 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 2b3x n GLY 777 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b3x n SER 778 N 0.10 -3.92 -0.07 1.61 2.88 -1.26 -4.86 113.62 108.09 2b3x n SER 778 Ca 0.00 0.42 0.13 0.00 -1.33 0.00 0.00 58.87 58.08 2b3x n SER 778 Cb 0.00 -0.93 0.33 0.00 -0.75 0.00 0.00 64.21 62.86 2b3x n SER 778 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2b3x n SER 779 N 1.88 0.60 -4.57 -3.46 3.41 -1.26 -4.79 113.62 105.44 2b3x n SER 779 Ca 0.04 -0.39 -0.59 0.00 -0.26 0.00 0.00 58.87 57.66 2b3x n SER 779 Cb 0.52 0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 2b3x n SER 779 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2b3x n ARG 780 N -1.24 0.24 0.00 4.33 1.85 -1.26 -4.29 116.66 116.30 2b3x n ARG 780 Ca 0.08 0.09 0.13 0.00 -1.00 0.00 0.00 57.85 57.15 2b3x n ARG 780 Cb 0.33 -1.62 0.45 0.00 -1.05 0.00 0.00 32.46 30.58 2b3x n ARG 780 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2b3x n ASP 781 N 2.32 0.82 0.21 2.89 5.68 -1.26 -3.06 116.55 124.15 2b3x n ASP 781 Ca 0.22 -0.76 0.15 0.00 -0.50 0.00 0.00 54.79 53.90 2b3x n ASP 781 Cb 0.07 0.06 0.69 0.00 -1.14 0.00 0.00 41.12 40.81 2b3x n ASP 781 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 2b3x h TRP 782 N 0.96 0.00 0.00 2.11 4.06 -1.97 0.24 115.95 121.36 2b3x h TRP 782 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2b3x h TRP 782 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 2b3x h TRP 782 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2b3x n ALA 783 N -1.91 1.79 -0.04 1.49 0.00 -1.17 -1.48 120.51 119.18 2b3x n ALA 783 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 2b3x n ALA 783 Cb 0.18 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 2b3x n ALA 783 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b3x n ALA 784 N -1.56 1.82 -0.18 0.00 0.00 -0.44 -4.55 120.51 115.61 2b3x n ALA 784 Ca 0.04 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 2b3x n ALA 784 Cb 0.22 0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.91 2b3x n ALA 784 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2b3x h LYS 785 N 0.00 0.85 0.44 0.00 1.57 -1.06 -2.05 116.57 116.32 2b3x h LYS 785 Ca -0.19 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2b3x h LYS 785 Cb 1.34 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 2b3x h LYS 785 CO -0.02 0.85 -0.40 0.78 -0.57 0.00 0.00 179.45 180.10 2b3x h GLY 786 N 0.73 -1.15 0.41 3.86 0.00 -1.51 0.04 103.07 105.44 2b3x h GLY 786 Ca 0.15 0.52 0.12 0.00 0.00 0.00 0.00 47.33 48.13 2b3x h GLY 786 CO 0.01 -0.36 0.55 -2.55 0.00 0.00 0.00 176.54 174.20 2b3x h PRO 787 N -0.83 0.82 -0.42 4.80 0.11 -1.77 -0.82 132.00 133.89 2b3x h PRO 787 Ca -0.06 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.08 2b3x h PRO 787 Cb 0.71 -0.19 -0.07 0.00 0.11 0.00 0.00 31.00 31.57 2b3x h PRO 787 CO -0.03 0.55 0.01 0.35 -0.21 0.00 0.00 178.00 178.67 2b3x h PHE 788 N 0.85 -0.01 0.00 0.65 3.57 -1.06 -1.14 116.94 119.80 2b3x h PHE 788 Ca 0.47 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.97 2b3x h PHE 788 Cb 0.52 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 2b3x h PHE 788 CO -0.04 -0.08 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.74 2b3x h LEU 789 N 0.12 0.00 0.00 0.59 3.38 -0.33 -2.69 115.31 116.37 2b3x h LEU 789 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2b3x h LEU 789 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2b3x h LEU 789 CO -0.34 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.52 2b3x n LEU 790 N -3.37 0.00 0.00 1.67 4.77 -0.37 -4.89 117.00 114.81 2b3x n LEU 790 Ca -0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2b3x n LEU 790 Cb 0.36 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2b3x n LEU 790 CO 0.31 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2b3x n GLY 791 N 0.97 0.75 3.67 -0.72 0.00 -1.00 -4.78 105.19 104.08 2b3x n GLY 791 Ca 0.13 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2b3x n GLY 791 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b3x s ILE 792 N -2.00 4.83 -0.06 -0.61 1.01 -0.51 -2.60 121.20 121.26 2b3x s ILE 792 Ca 0.00 1.76 0.20 0.00 0.00 0.00 0.00 60.65 62.61 2b3x s ILE 792 Cb 0.00 -4.19 -0.31 0.00 0.01 0.00 0.00 42.46 37.97 2b3x s ILE 792 CO 0.00 -0.03 0.38 0.29 0.00 0.00 0.00 174.94 175.58 2b3x n LYS 793 N 5.48 0.67 -3.67 2.79 4.76 0.58 -4.41 118.16 124.36 2b3x n LYS 793 Ca 0.07 -0.15 -0.12 0.00 -2.87 0.00 0.00 58.31 55.23 2b3x n LYS 793 Cb 0.48 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.11 2b3x n LYS 793 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b3x s ALA 794 N -3.25 -0.93 -0.03 7.82 0.00 -1.24 -2.14 121.76 121.99 2b3x s ALA 794 Ca -0.08 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.12 2b3x s ALA 794 Cb 0.12 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2b3x s ALA 794 CO 0.85 -0.49 -0.25 0.08 0.00 0.00 0.00 175.76 175.95 2b3x s VAL 795 N -2.81 2.01 -0.25 0.00 1.01 -0.27 -1.95 120.40 118.13 2b3x s VAL 795 Ca -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2b3x s VAL 795 Cb -0.00 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.75 2b3x s VAL 795 CO -0.05 0.57 -0.09 -0.22 0.00 0.00 0.00 175.10 175.30 2b3x s LEU 796 N -0.46 3.31 0.16 3.92 2.96 0.61 0.18 118.68 129.36 2b3x s LEU 796 Ca 0.06 -1.19 0.01 0.00 -0.22 0.00 0.00 54.13 52.79 2b3x s LEU 796 Cb -0.11 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2b3x s LEU 796 CO 0.00 -0.17 0.02 0.00 -1.32 0.00 0.00 176.35 174.89 2b3x s ALA 797 N 1.19 1.22 0.10 5.97 0.00 -0.93 -0.69 121.76 128.63 2b3x s ALA 797 Ca -0.05 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 2b3x s ALA 797 Cb -0.18 0.65 -0.20 0.00 0.00 0.00 0.00 23.12 23.39 2b3x s ALA 797 CO -0.05 -0.37 1.21 0.93 0.00 0.00 0.00 175.76 177.48 2b3x h GLU 798 N 2.73 0.32 -3.03 0.00 5.08 -1.04 -2.61 114.58 116.03 2b3x h GLU 798 Ca -0.36 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 57.56 2b3x h GLU 798 Cb 1.20 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.51 2b3x h GLU 798 CO 0.62 1.16 0.20 -1.54 -1.00 0.00 0.00 179.01 178.45 2b3x s SER 799 N -7.12 -0.43 0.08 1.42 1.04 -1.21 -4.56 113.70 102.91 2b3x s SER 799 Ca -0.05 -0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.20 2b3x s SER 799 Cb 0.08 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 2b3x s SER 799 CO 0.87 -1.11 -0.20 -0.31 0.98 0.00 0.00 173.24 173.47 2b3x s TYR 800 N -3.82 1.70 0.48 5.02 2.02 -1.26 -1.16 117.35 120.34 2b3x s TYR 800 Ca 0.05 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 2b3x s TYR 800 Cb -0.03 -0.97 -0.08 0.00 -0.40 0.00 0.00 41.96 40.49 2b3x s TYR 800 CO -0.05 0.14 0.93 -1.21 -1.57 0.00 0.00 175.55 173.80 2b3x s GLU 801 N -1.60 3.93 0.09 -0.62 0.41 -0.51 -4.79 118.70 115.61 2b3x s GLU 801 Ca 0.06 0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 55.18 2b3x s GLU 801 Cb -0.09 -2.20 -0.13 0.00 -1.78 0.00 0.00 34.13 29.93 2b3x s GLU 801 CO 0.03 -0.20 1.48 -0.09 -0.49 0.00 0.00 175.26 175.99 2b3x h ARG 802 N 1.08 -0.66 -0.37 1.61 1.12 -1.91 -2.35 114.38 112.91 2b3x h ARG 802 Ca -0.47 0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.44 2b3x h ARG 802 Cb 1.18 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 31.28 2b3x h ARG 802 CO 0.62 -0.44 0.20 0.82 -3.11 0.00 0.00 179.97 178.07 2b3x h ILE 803 N -0.68 1.14 -0.64 1.20 2.04 -1.91 -3.00 117.51 115.66 2b3x h ILE 803 Ca -0.01 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2b3x h ILE 803 Cb 0.67 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2b3x h ILE 803 CO -0.23 0.14 0.41 -0.74 0.00 0.00 0.00 178.15 177.74 2b3x h HIS 804 N 0.47 0.77 -0.36 1.37 2.76 -1.76 -1.64 115.15 116.76 2b3x h HIS 804 Ca 0.13 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2b3x h HIS 804 Cb 0.05 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 2b3x h HIS 804 CO -0.03 0.46 0.13 -0.09 -1.30 0.00 0.00 177.93 177.11 2b3x h ARG 805 N 0.82 0.28 -0.64 5.26 2.43 -1.29 -0.60 114.38 120.64 2b3x h ARG 805 Ca 0.25 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2b3x h ARG 805 Cb -0.03 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 2b3x h ARG 805 CO -0.08 0.19 0.39 0.77 -1.51 0.00 0.00 179.97 179.73 2b3x h SER 806 N 0.29 0.64 -0.86 -3.80 0.02 -1.33 -1.63 113.55 106.89 2b3x h SER 806 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2b3x h SER 806 Cb 0.13 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2b3x h SER 806 CO -0.16 0.45 0.51 0.78 -1.14 0.00 0.00 176.83 177.27 2b3x h ASN 807 N 0.77 1.04 -0.36 3.07 -0.26 -0.96 -0.74 115.58 118.15 2b3x h ASN 807 Ca 0.26 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 2b3x h ASN 807 Cb 0.02 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 2b3x h ASN 807 CO -0.11 0.80 0.18 -0.07 -1.06 0.00 0.00 177.43 177.18 2b3x h LEU 808 N 1.19 0.47 -0.67 1.61 3.38 -0.48 -2.58 115.31 118.23 2b3x h LEU 808 Ca 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2b3x h LEU 808 Cb -0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2b3x h LEU 808 CO -0.06 0.45 0.43 0.58 0.09 0.00 0.00 178.44 179.93 2b3x h VAL 809 N 0.45 1.18 0.00 1.22 2.07 -1.16 -1.45 116.25 118.56 2b3x h VAL 809 Ca 0.13 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2b3x h VAL 809 Cb 0.10 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2b3x h VAL 809 CO -0.02 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.36 2b3x n GLY 810 N -1.25 -1.01 0.60 2.17 0.00 -0.30 -2.19 105.19 103.21 2b3x n GLY 810 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 2b3x n GLY 810 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2b3x n MET 811 N -1.73 1.45 -0.74 1.61 2.81 -0.94 -1.82 117.12 117.77 2b3x n MET 811 Ca 0.03 -1.55 0.00 0.00 -1.81 0.00 0.00 57.70 54.36 2b3x n MET 811 Cb 0.16 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 2b3x n MET 811 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2b3x n GLY 812 N 0.73 0.84 3.73 3.03 0.00 -0.93 -4.72 105.19 107.87 2b3x n GLY 812 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2b3x n GLY 812 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b3x s VAL 813 N -3.28 4.20 -0.26 1.61 1.01 -0.59 -4.97 120.40 118.11 2b3x s VAL 813 Ca 0.00 1.79 -0.27 0.00 0.00 0.00 0.00 61.98 63.50 2b3x s VAL 813 Cb 0.00 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2b3x s VAL 813 CO 0.00 0.26 0.94 -0.63 0.00 0.00 0.00 175.10 175.67 2b3x s ILE 814 N 0.14 4.71 -0.60 2.22 1.01 -0.91 -3.73 121.20 124.05 2b3x s ILE 814 Ca 0.50 1.71 -0.25 0.00 0.00 0.00 0.00 60.65 62.61 2b3x s ILE 814 Cb -0.26 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.00 2b3x s ILE 814 CO 0.32 -0.21 1.05 -2.16 0.00 0.00 0.00 174.94 173.93 2b3x s PRO 815 N 3.13 3.32 0.19 2.79 0.04 -1.26 -1.12 135.00 142.10 2b3x s PRO 815 Ca 0.40 -0.23 -0.08 0.00 0.04 0.00 0.00 61.00 61.13 2b3x s PRO 815 Cb -0.14 -4.09 -0.07 0.00 0.04 0.00 0.00 34.50 30.24 2b3x s PRO 815 CO 0.09 -1.66 0.48 -0.51 0.04 0.00 0.00 177.00 175.43 2b3x s LEU 816 N 4.42 4.21 -0.02 -3.56 1.43 0.13 -0.85 118.68 124.44 2b3x s LEU 816 Ca 0.33 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 2b3x s LEU 816 Cb -0.11 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2b3x s LEU 816 CO 0.19 -0.02 -0.09 -0.70 0.23 0.00 0.00 176.35 175.96 2b3x s GLU 817 N -2.73 0.90 0.56 1.70 2.12 0.33 -2.18 118.70 119.40 2b3x s GLU 817 Ca 0.45 -0.31 -0.21 0.00 0.36 0.00 0.00 54.97 55.26 2b3x s GLU 817 Cb -0.12 -0.85 -0.04 0.00 0.26 0.00 0.00 34.13 33.38 2b3x s GLU 817 CO 0.22 0.14 1.31 0.71 -0.54 0.00 0.00 175.26 177.10 2b3x s TYR 818 N 0.08 2.31 0.33 5.30 2.02 -0.98 0.49 117.35 126.89 2b3x s TYR 818 Ca -0.01 1.43 -0.29 0.00 -0.37 0.00 0.00 57.07 57.83 2b3x s TYR 818 Cb -0.07 -3.70 -0.11 0.00 -0.40 0.00 0.00 41.96 37.68 2b3x s TYR 818 CO 0.00 -2.70 1.40 -0.51 -1.57 0.00 0.00 175.55 172.17 2b3x s LEU 819 N -3.72 4.38 0.11 -1.29 1.43 -1.26 -4.72 118.68 113.62 2b3x s LEU 819 Ca 0.74 2.82 -0.34 0.00 -1.03 0.00 0.00 54.13 56.32 2b3x s LEU 819 Cb -0.38 -3.65 -0.18 0.00 0.03 0.00 0.00 46.19 42.02 2b3x s LEU 819 CO 0.43 -0.69 0.97 -0.81 0.23 0.00 0.00 176.35 176.48 2b3x n PRO 820 N 1.00 0.43 -0.71 1.29 -0.04 -1.26 -0.73 135.00 134.97 2b3x n PRO 820 Ca 0.02 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2b3x n PRO 820 Cb 0.40 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2b3x n PRO 820 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2b3x n GLY 821 N 1.83 1.15 3.40 0.55 0.00 -1.26 -5.03 105.19 105.83 2b3x n GLY 821 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2b3x n GLY 821 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b3x s GLU 822 N -0.17 1.55 0.23 1.61 2.02 0.09 -5.00 118.70 119.03 2b3x s GLU 822 Ca 0.00 -1.27 -0.18 0.00 0.02 0.00 0.00 54.97 53.53 2b3x s GLU 822 Cb 0.00 -1.96 0.07 0.00 0.10 0.00 0.00 34.13 32.34 2b3x s GLU 822 CO 0.00 0.47 0.91 0.27 0.02 0.00 0.00 175.26 176.93 2b3x n ASN 823 N 1.06 -1.78 -0.34 -0.19 0.23 -1.26 -4.59 115.26 108.40 2b3x n ASN 823 Ca -0.17 -2.03 -0.01 0.00 -0.53 0.00 0.00 54.58 51.84 2b3x n ASN 823 Cb 0.53 2.92 0.12 0.00 -2.08 0.00 0.00 39.78 41.27 2b3x n ASN 823 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2b3x h ALA 824 N 2.00 1.21 -0.31 -2.53 0.00 -1.92 -1.01 119.26 116.70 2b3x h ALA 824 Ca -0.27 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2b3x h ALA 824 Cb 1.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2b3x h ALA 824 CO 0.36 0.44 -0.43 -0.44 0.00 0.00 0.00 179.25 179.18 2b3x h ASP 825 N 1.14 0.91 0.70 0.00 3.32 -1.96 0.22 116.42 120.75 2b3x h ASP 825 Ca 0.37 -0.50 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 2b3x h ASP 825 Cb 0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2b3x h ASP 825 CO -0.12 1.24 -0.43 0.00 -1.72 0.00 0.00 179.24 178.20 2b3x h ALA 826 N 0.70 1.05 -0.01 3.45 0.00 -1.87 -2.81 119.26 119.78 2b3x h ALA 826 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2b3x h ALA 826 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2b3x h ALA 826 CO 0.10 0.54 -0.42 1.28 0.00 0.00 0.00 179.25 180.75 2b3x n LEU 827 N -3.69 1.43 -1.60 0.00 4.77 -0.41 -4.92 117.00 112.58 2b3x n LEU 827 Ca -0.01 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.38 2b3x n LEU 827 Cb 0.51 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2b3x n LEU 827 CO 0.38 0.27 -0.04 0.61 -1.33 0.00 0.00 177.39 177.29 2b3x n GLY 828 N 1.40 0.00 3.70 -0.72 0.00 -0.67 -5.01 105.19 103.89 2b3x n GLY 828 Ca 0.10 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2b3x n GLY 828 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b3x s LEU 829 N -3.63 4.34 -0.11 0.99 1.43 0.69 -4.92 118.68 117.46 2b3x s LEU 829 Ca 0.12 1.75 0.18 0.00 -1.03 0.00 0.00 54.13 55.15 2b3x s LEU 829 Cb -0.05 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.36 2b3x s LEU 829 CO 0.14 -0.39 0.35 0.35 0.23 0.00 0.00 176.35 177.04 2b3x n THR 830 N 4.10 1.15 -0.09 5.49 -2.24 -1.26 -4.69 114.28 116.74 2b3x n THR 830 Ca 0.08 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2b3x n THR 830 Cb 0.49 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2b3x n THR 830 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b3x n GLY 831 N 1.58 0.58 0.00 3.38 0.00 -1.26 -4.94 105.19 104.53 2b3x n GLY 831 Ca -0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.89 2b3x n GLY 831 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b3x n GLN 832 N -2.01 0.88 -1.34 1.61 6.02 -1.26 -4.28 117.38 117.01 2b3x n GLN 832 Ca 0.00 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.66 2b3x n GLN 832 Cb 0.00 -1.38 0.15 0.00 1.02 0.00 0.00 30.24 30.03 2b3x n GLN 832 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2b3x s GLU 833 N -2.87 0.82 -0.16 -1.09 8.01 -1.26 -4.98 118.70 117.17 2b3x s GLU 833 Ca 0.03 0.44 -0.05 0.00 0.01 0.00 0.00 54.97 55.40 2b3x s GLU 833 Cb 0.13 -1.79 -0.03 0.00 -4.31 0.00 0.00 34.13 28.13 2b3x s GLU 833 CO 0.76 -2.45 -0.00 1.03 0.01 0.00 0.00 175.26 174.61 2b3x s ARG 834 N -5.10 3.75 -0.23 1.61 0.52 -1.26 -4.50 118.95 113.73 2b3x s ARG 834 Ca 0.64 -0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 55.33 2b3x s ARG 834 Cb -0.17 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 2b3x s ARG 834 CO 0.56 0.28 0.05 0.71 0.02 0.00 0.00 175.30 176.91 2b3x s TYR 835 N 0.30 3.09 -0.19 -0.53 1.51 0.13 -1.43 117.35 120.23 2b3x s TYR 835 Ca -0.01 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 2b3x s TYR 835 Cb -0.13 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 2b3x s TYR 835 CO 0.02 -0.26 0.03 0.99 -1.11 0.00 0.00 175.55 175.21 2b3x s THR 836 N 1.27 4.32 -0.28 -0.71 2.01 0.31 -0.05 115.64 122.50 2b3x s THR 836 Ca 0.04 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 2b3x s THR 836 Cb -0.15 -2.94 0.03 0.00 0.01 0.00 0.00 72.50 69.45 2b3x s THR 836 CO 0.03 0.44 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.77 2b3x s ILE 837 N 0.68 3.21 -0.39 1.82 1.01 0.15 -1.12 121.20 126.55 2b3x s ILE 837 Ca 0.01 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.36 2b3x s ILE 837 Cb -0.14 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.65 2b3x s ILE 837 CO 0.02 0.07 0.92 -0.63 0.00 0.00 0.00 174.94 175.32 2b3x s ILE 838 N 1.35 4.57 -0.41 2.92 1.09 -1.15 -2.04 121.20 127.53 2b3x s ILE 838 Ca -0.01 1.08 -0.14 0.00 -1.10 0.00 0.00 60.65 60.49 2b3x s ILE 838 Cb -0.18 -4.35 0.04 0.00 -1.06 0.00 0.00 42.46 36.91 2b3x s ILE 838 CO -0.02 -0.60 0.29 -0.63 -0.10 0.00 0.00 174.94 173.89 2b3x s ILE 839 N 3.52 5.02 0.86 2.92 1.01 -1.26 -4.46 121.20 128.81 2b3x s ILE 839 Ca 0.38 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 2b3x s ILE 839 Cb -0.12 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.61 2b3x s ILE 839 CO 0.20 -0.36 1.09 -2.16 0.00 0.00 0.00 174.94 173.72 2b3x s PRO 840 N 1.63 1.56 0.44 2.79 0.04 -1.26 -4.62 135.00 135.58 2b3x s PRO 840 Ca 0.04 0.74 0.14 0.00 0.04 0.00 0.00 61.00 61.96 2b3x s PRO 840 Cb -0.20 -1.85 0.98 0.00 0.04 0.00 0.00 34.50 33.47 2b3x s PRO 840 CO 0.08 -2.01 1.99 0.93 0.04 0.00 0.00 177.00 178.02 2b3x h GLU 841 N -1.38 0.02 -4.88 4.56 4.39 -1.98 -3.41 114.58 111.91 2b3x h GLU 841 Ca -0.49 -0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.59 2b3x h GLU 841 Cb 1.28 -0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.58 2b3x h GLU 841 CO 0.56 0.20 -0.85 -0.80 -1.16 0.00 0.00 179.01 176.97 2b3x s ASN 842 N -6.99 2.72 0.05 1.42 0.01 -1.26 -5.09 114.94 105.80 2b3x s ASN 842 Ca -0.04 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.63 2b3x s ASN 842 Cb 0.16 -1.23 -0.04 0.00 0.41 0.00 0.00 41.25 40.55 2b3x s ASN 842 CO 0.70 0.02 0.04 -0.76 -1.51 0.00 0.00 177.10 175.59 2b3x s LEU 843 N 1.06 3.66 -0.00 0.60 1.43 -1.26 -5.12 118.68 119.04 2b3x s LEU 843 Ca -0.04 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2b3x s LEU 843 Cb -0.15 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2b3x s LEU 843 CO -0.04 0.22 -0.03 -0.75 0.23 0.00 0.00 176.35 175.98 2b3x s LYS 844 N -2.03 0.24 0.14 1.70 2.47 -1.26 -5.11 119.74 115.89 2b3x s LYS 844 Ca 0.25 -0.09 -0.34 0.00 -1.56 0.00 0.00 55.97 54.23 2b3x s LYS 844 Cb -0.12 -0.25 -0.16 0.00 -1.46 0.00 0.00 37.83 35.84 2b3x s LYS 844 CO 0.17 0.05 1.25 -2.30 0.16 0.00 0.00 175.35 174.67 2b3x n PRO 845 N 3.11 1.23 -2.21 4.03 -0.02 -1.26 -2.06 135.00 137.81 2b3x n PRO 845 Ca -0.14 0.44 -0.18 0.00 -2.02 0.00 0.00 63.50 61.60 2b3x n PRO 845 Cb 0.58 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 2b3x n PRO 845 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2b3x n GLN 846 N 2.10 -1.75 -1.79 -0.52 6.02 -0.60 -4.97 117.38 115.88 2b3x n GLN 846 Ca 0.16 0.94 -0.33 0.00 -0.01 0.00 0.00 57.00 57.76 2b3x n GLN 846 Cb 0.23 -5.51 0.04 0.00 1.02 0.00 0.00 30.24 26.02 2b3x n GLN 846 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b3x s MET 847 N -4.71 2.83 -0.08 -1.09 0.23 -0.88 -4.57 119.30 111.03 2b3x s MET 847 Ca 0.00 1.40 -0.22 0.00 -1.03 0.00 0.00 55.69 55.85 2b3x s MET 847 Cb 0.00 -1.95 -0.04 0.00 -1.53 0.00 0.00 34.83 31.31 2b3x s MET 847 CO 0.00 -1.23 0.63 0.15 -2.03 0.00 0.00 175.02 172.54 2b3x s LYS 848 N -4.05 4.41 0.11 3.16 1.02 -1.26 -0.69 119.74 122.43 2b3x s LYS 848 Ca 0.67 0.74 0.10 0.00 0.02 0.00 0.00 55.97 57.50 2b3x s LYS 848 Cb -0.21 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 2b3x s LYS 848 CO 0.41 0.10 -0.22 0.14 -0.92 0.00 0.00 175.35 174.85 2b3x s VAL 849 N 0.73 2.54 0.22 3.17 -7.23 -0.38 -4.96 120.40 114.50 2b3x s VAL 849 Ca 0.34 -1.57 -0.18 0.00 -1.81 0.00 0.00 61.98 58.76 2b3x s VAL 849 Cb -0.17 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 2b3x s VAL 849 CO 0.16 0.14 0.69 0.00 -0.31 0.00 0.00 175.10 175.78 2b3x s GLN 850 N -1.96 4.16 -0.20 4.82 -2.07 -1.26 -1.39 119.66 121.76 2b3x s GLN 850 Ca 0.15 0.77 -0.01 0.00 -1.82 0.00 0.00 55.36 54.45 2b3x s GLN 850 Cb -0.10 -2.83 0.01 0.00 -1.09 0.00 0.00 33.01 29.00 2b3x s GLN 850 CO 0.07 0.38 -0.14 0.08 -1.32 0.00 0.00 175.29 174.36 2b3x s VAL 851 N -1.57 2.51 -0.04 3.63 1.01 0.10 -2.93 120.40 123.10 2b3x s VAL 851 Ca 0.43 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2b3x s VAL 851 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2b3x s VAL 851 CO 0.20 0.48 0.19 -0.54 0.00 0.00 0.00 175.10 175.43 2b3x s LYS 852 N 1.35 3.47 0.28 2.72 1.02 -0.28 -1.71 119.74 126.59 2b3x s LYS 852 Ca 0.05 -0.21 0.09 0.00 0.02 0.00 0.00 55.97 55.92 2b3x s LYS 852 Cb -0.14 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2b3x s LYS 852 CO -0.09 0.70 0.02 -0.51 -0.92 0.00 0.00 175.35 174.55 2b3x s LEU 853 N -1.62 3.18 0.43 3.17 1.43 -0.16 -0.53 118.68 124.59 2b3x s LEU 853 Ca 0.23 -0.70 0.19 0.00 -1.03 0.00 0.00 54.13 52.83 2b3x s LEU 853 Cb -0.13 -1.69 1.00 0.00 0.03 0.00 0.00 46.19 45.41 2b3x s LEU 853 CO 0.14 -0.07 1.92 -2.24 0.23 0.00 0.00 176.35 176.33 2b3x h ASP 854 N 1.83 0.00 0.42 2.29 2.03 -1.55 -2.58 116.42 118.86 2b3x h ASP 854 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2b3x h ASP 854 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2b3x h ASP 854 CO 0.61 0.26 0.00 0.35 -1.03 0.00 0.00 179.24 179.43 2b3x n THR 855 N -3.87 0.42 0.00 1.15 -2.24 -1.26 -4.89 114.28 103.58 2b3x n THR 855 Ca -0.02 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2b3x n THR 855 Cb 0.34 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2b3x n THR 855 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b3x n GLY 856 N 0.44 3.00 3.55 3.38 0.00 -0.97 -5.07 105.19 109.52 2b3x n GLY 856 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2b3x n GLY 856 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b3x n LYS 857 N -0.30 0.87 -4.03 1.61 4.81 -1.26 -4.69 118.16 115.17 2b3x n LYS 857 Ca 0.00 0.33 -0.08 0.00 -0.87 0.00 0.00 58.31 57.68 2b3x n LYS 857 Cb 0.00 -1.91 -0.09 0.00 0.02 0.00 0.00 35.03 33.05 2b3x n LYS 857 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2b3x s THR 858 N -1.50 0.17 0.32 3.15 -4.23 -1.26 -0.99 115.64 111.30 2b3x s THR 858 Ca 0.69 -1.63 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 2b3x s THR 858 Cb -0.49 -1.58 0.05 0.00 1.34 0.00 0.00 72.50 71.82 2b3x s THR 858 CO 0.53 -0.77 0.63 2.22 -0.54 0.00 0.00 174.62 176.69 2b3x n PHE 859 N 0.01 -2.06 -4.34 3.99 1.16 -0.70 -4.99 117.46 110.52 2b3x n PHE 859 Ca -0.12 -1.57 -0.29 0.00 -1.87 0.00 0.00 57.45 53.60 2b3x n PHE 859 Cb 0.62 0.74 -0.12 0.00 -1.61 0.00 0.00 39.48 39.12 2b3x n PHE 859 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2b3x s GLN 860 N -2.12 1.67 0.05 3.97 -0.21 -1.26 0.02 119.66 121.77 2b3x s GLN 860 Ca 0.14 -1.30 0.02 0.00 0.02 0.00 0.00 55.36 54.24 2b3x s GLN 860 Cb -0.04 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 2b3x s GLN 860 CO 0.10 0.45 -0.07 0.00 -2.12 0.00 0.00 175.29 173.66 2b3x s ALA 861 N -1.28 0.59 -0.17 6.09 0.00 -0.48 -4.28 121.76 122.22 2b3x s ALA 861 Ca 0.18 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 2b3x s ALA 861 Cb -0.10 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2b3x s ALA 861 CO 0.10 -0.09 0.75 0.08 0.00 0.00 0.00 175.76 176.59 2b3x s VAL 862 N -1.93 4.94 -0.40 0.00 1.01 0.18 -1.25 120.40 122.94 2b3x s VAL 862 Ca -0.06 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 2b3x s VAL 862 Cb -0.06 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.28 2b3x s VAL 862 CO -0.01 0.08 1.05 -0.32 0.00 0.00 0.00 175.10 175.90 2b3x s MET 863 N 1.93 3.84 -0.72 2.72 0.00 0.13 -0.52 119.30 126.68 2b3x s MET 863 Ca 0.35 0.68 -0.05 0.00 0.00 0.00 0.00 55.69 56.67 2b3x s MET 863 Cb -0.16 -3.83 0.03 0.00 0.00 0.00 0.00 34.83 30.86 2b3x s MET 863 CO 0.12 -1.13 2.78 0.54 0.00 0.00 0.00 175.02 177.33 2b3x n ARG 864 N 7.25 3.07 -3.10 4.11 5.12 -0.03 -3.04 116.66 130.04 2b3x n ARG 864 Ca 0.10 -2.50 -0.43 0.00 -1.93 0.00 0.00 57.85 53.09 2b3x n ARG 864 Cb 0.48 -2.30 -0.06 0.00 -1.16 0.00 0.00 32.46 29.42 2b3x n ARG 864 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2b3x s PHE 865 N -1.01 3.02 -0.66 -1.55 0.08 -1.26 -4.80 117.98 111.81 2b3x s PHE 865 Ca 0.59 -0.32 0.25 0.00 0.12 0.00 0.00 56.93 57.58 2b3x s PHE 865 Cb 0.31 -3.53 0.67 0.00 -0.57 0.00 0.00 43.02 39.90 2b3x s PHE 865 CO -0.15 -1.02 1.72 -0.44 -0.10 0.00 0.00 175.22 175.23 2b3x h ASP 866 N 9.00 0.00 -5.52 1.36 5.19 -1.95 -1.61 116.42 122.90 2b3x h ASP 866 Ca -0.27 -0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 55.93 2b3x h ASP 866 Cb 1.09 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.46 2b3x h ASP 866 CO 0.95 0.00 -0.55 0.42 -3.12 0.00 0.00 179.24 176.94 2b3x s THR 867 N -3.13 0.01 0.20 0.35 -4.23 -1.26 -4.83 115.64 102.76 2b3x s THR 867 Ca 0.10 -1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 58.63 2b3x s THR 867 Cb 0.11 -2.39 0.13 0.00 1.34 0.00 0.00 72.50 71.69 2b3x s THR 867 CO 0.62 -0.07 1.74 0.44 -0.54 0.00 0.00 174.62 176.81 2b3x h ASP 868 N 2.60 1.09 0.23 3.99 3.32 -2.00 -2.82 116.42 122.83 2b3x h ASP 868 Ca -0.35 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.42 2b3x h ASP 868 Cb 1.24 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2b3x h ASP 868 CO 0.51 1.01 -0.32 -0.37 -1.72 0.00 0.00 179.24 178.35 2b3x h VAL 869 N 1.11 1.26 -0.54 -1.35 -1.51 -1.98 -2.13 116.25 111.11 2b3x h VAL 869 Ca 0.24 -1.24 -0.07 0.00 -1.23 0.00 0.00 66.70 64.40 2b3x h VAL 869 Cb 0.30 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 2b3x h VAL 869 CO -0.01 0.37 0.05 -0.33 -1.23 0.00 0.00 177.57 176.42 2b3x h GLU 870 N 0.13 0.89 -0.97 5.19 5.08 -1.91 -1.35 114.58 121.64 2b3x h GLU 870 Ca 0.02 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2b3x h GLU 870 Cb 0.64 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2b3x h GLU 870 CO 0.05 0.86 0.64 -0.07 -1.00 0.00 0.00 179.01 179.49 2b3x h LEU 871 N 0.84 1.10 -0.63 1.33 3.38 -1.18 -2.00 115.31 118.14 2b3x h LEU 871 Ca 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2b3x h LEU 871 Cb 0.43 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2b3x h LEU 871 CO 0.01 0.79 0.21 0.74 0.09 0.00 0.00 178.44 180.28 2b3x h THR 872 N 1.29 1.24 -0.75 0.22 2.02 -1.00 -0.36 112.91 115.58 2b3x h THR 872 Ca 0.36 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.75 2b3x h THR 872 Cb -0.11 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 2b3x h THR 872 CO -0.09 0.31 0.48 1.88 0.37 0.00 0.00 175.52 178.48 2b3x h TYR 873 N 0.90 0.91 -0.15 3.16 0.05 -0.92 -0.96 116.97 119.95 2b3x h TYR 873 Ca 0.20 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 2b3x h TYR 873 Cb 0.27 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 2b3x h TYR 873 CO 0.02 0.54 0.05 0.35 -1.05 0.00 0.00 178.16 178.07 2b3x h PHE 874 N 0.96 0.23 -0.41 4.88 3.57 -1.05 0.45 116.94 125.57 2b3x h PHE 874 Ca 0.29 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.88 2b3x h PHE 874 Cb -0.03 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2b3x h PHE 874 CO -0.03 0.32 0.29 -0.07 -2.23 0.00 0.00 178.31 176.59 2b3x h LEU 875 N 0.07 0.07 -0.42 0.59 3.38 -0.81 -1.39 115.31 116.81 2b3x h LEU 875 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2b3x h LEU 875 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2b3x h LEU 875 CO -0.00 0.04 -0.12 0.59 0.09 0.00 0.00 178.44 179.04 2b3x n ASN 876 N -4.44 0.77 -0.07 -0.43 3.02 -0.39 -4.52 115.26 109.21 2b3x n ASN 876 Ca 0.06 -0.86 -0.01 0.00 -0.03 0.00 0.00 54.58 53.75 2b3x n ASN 876 Cb 0.43 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2b3x n ASN 876 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b3x n GLY 877 N 1.26 0.49 0.00 7.41 0.00 -0.52 -4.53 105.19 109.29 2b3x n GLY 877 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2b3x n GLY 877 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3x n GLY 878 N -2.61 4.13 0.25 -0.02 0.00 0.15 -4.06 105.19 103.04 2b3x n GLY 878 Ca -0.01 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 2b3x n GLY 878 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2b3x h ILE 879 N 1.00 1.27 -0.02 -0.61 2.10 -1.55 -2.74 117.51 116.95 2b3x h ILE 879 Ca 0.00 -1.16 -0.15 0.00 1.08 0.00 0.00 64.86 64.63 2b3x h ILE 879 Cb 0.00 1.10 -0.02 0.00 -1.09 0.00 0.00 36.82 36.82 2b3x h ILE 879 CO 0.00 0.40 -0.69 -0.07 -1.08 0.00 0.00 178.15 176.71 2b3x h LEU 880 N 0.67 0.14 -0.88 2.19 3.38 -1.90 -1.76 115.31 117.15 2b3x h LEU 880 Ca 0.12 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2b3x h LEU 880 Cb 0.59 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2b3x h LEU 880 CO 0.04 0.78 0.14 0.78 0.09 0.00 0.00 178.44 180.27 2b3x h ASN 881 N 0.08 0.91 -0.38 -0.43 4.21 -1.84 0.69 115.58 118.81 2b3x h ASN 881 Ca -0.01 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.29 2b3x h ASN 881 Cb 1.22 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 38.17 2b3x h ASN 881 CO 0.10 0.89 0.15 0.22 -1.29 0.00 0.00 177.43 177.50 2b3x h TYR 882 N 0.93 0.59 -0.55 1.19 3.20 -1.24 -2.42 116.97 118.67 2b3x h TYR 882 Ca 0.20 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2b3x h TYR 882 Cb 0.34 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2b3x h TYR 882 CO 0.02 0.53 0.10 0.52 -1.64 0.00 0.00 178.16 177.70 2b3x h MET 883 N 0.47 0.90 -0.52 1.82 2.86 -0.95 0.44 114.93 119.95 2b3x h MET 883 Ca 0.13 -0.23 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2b3x h MET 883 Cb 0.20 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 2b3x h MET 883 CO -0.01 0.86 0.20 0.82 1.06 0.00 0.00 176.91 179.84 2b3x h ILE 884 N 0.79 0.84 -0.16 -1.22 2.04 -0.85 -0.14 117.51 118.82 2b3x h ILE 884 Ca 0.17 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2b3x h ILE 884 Cb 0.39 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2b3x h ILE 884 CO 0.01 0.07 0.04 0.03 0.00 0.00 0.00 178.15 178.30 2b3x h ARG 885 N 0.39 0.25 -0.91 2.37 3.08 -1.00 0.96 114.38 119.52 2b3x h ARG 885 Ca 0.25 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.37 2b3x h ARG 885 Cb 0.26 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 2b3x h ARG 885 CO -0.24 0.39 0.52 -0.22 -1.07 0.00 0.00 179.97 179.35 2b3x h LYS 886 N 0.06 0.77 0.06 0.04 3.64 -0.71 -2.59 116.57 117.84 2b3x h LYS 886 Ca 0.05 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 2b3x h LYS 886 Cb 0.25 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2b3x h LYS 886 CO -0.00 0.51 -1.06 0.52 -2.27 0.00 0.00 179.45 177.15 2b3x h MET 887 N 0.79 0.30 0.38 1.90 2.86 -0.74 -3.35 114.93 117.06 2b3x h MET 887 Ca 0.47 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2b3x h MET 887 Cb 0.56 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2b3x h MET 887 CO -0.31 1.12 -0.18 0.00 1.06 0.00 0.00 176.91 178.60 2b3x h ALA 888 N 0.73 -0.51 0.00 6.32 0.00 -0.43 -3.43 119.26 121.93 2b3x h ALA 888 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2b3x h ALA 888 Cb 1.74 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2b3x h ALA 888 CO 0.17 -0.72 0.00 0.36 0.00 0.00 0.00 179.25 179.06