#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abb n LYS 11 N 0.00 0.07 0.09 -0.14 4.76 -1.26 0.40 118.16 122.09 1abb n LYS 11 Ca 0.00 0.54 0.12 0.00 -2.87 0.00 0.00 58.31 56.10 1abb n LYS 11 Cb 0.00 -2.12 0.45 0.00 -1.84 0.00 0.00 35.03 31.52 1abb n LYS 11 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1abb n GLN 12 N -1.97 0.16 -3.09 1.97 1.13 -1.26 -4.35 117.38 109.97 1abb n GLN 12 Ca -0.01 0.31 -0.44 0.00 -1.94 0.00 0.00 57.00 54.92 1abb n GLN 12 Cb 0.40 -1.76 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 1abb n GLN 12 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1abb s ILE 13 N -3.19 4.76 0.13 5.09 1.01 0.16 -4.97 121.20 124.20 1abb s ILE 13 Ca 0.07 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1abb s ILE 13 Cb 0.11 -4.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 1abb s ILE 13 CO 0.43 -0.97 0.20 -0.55 0.00 0.00 0.00 174.94 174.05 1abb s SER 14 N 3.00 0.14 0.40 3.58 0.15 -1.26 -5.01 113.70 114.70 1abb s SER 14 Ca 0.17 -0.88 0.25 0.00 0.70 0.00 0.00 55.95 56.18 1abb s SER 14 Cb -0.19 0.37 0.61 0.00 -1.71 0.00 0.00 66.02 65.10 1abb s SER 14 CO 0.11 -0.80 1.70 0.58 1.20 0.00 0.00 173.24 176.03 1abb h VAL 15 N 2.70 0.00 -0.27 4.45 2.07 -1.95 -3.43 116.25 119.81 1abb h VAL 15 Ca -0.33 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1abb h VAL 15 Cb 1.21 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 32.68 1abb h VAL 15 CO 0.53 0.00 -0.52 0.08 0.02 0.00 0.00 177.57 177.69 1abb h ARG 16 N 0.00 -0.45 -0.34 1.57 0.11 -1.97 -3.19 114.38 110.11 1abb h ARG 16 Ca 0.00 0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1abb h ARG 16 Cb 0.85 0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1abb h ARG 16 CO 0.00 -0.30 0.00 0.41 0.10 0.00 0.00 179.97 180.18 1abb n GLY 17 N -1.41 0.15 2.02 0.08 0.00 -1.26 -4.67 105.19 100.09 1abb n GLY 17 Ca -0.04 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1abb n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1abb n LEU 18 N -0.08 6.10 -3.67 0.99 7.99 -1.21 -4.90 117.00 122.21 1abb n LEU 18 Ca 0.04 -3.24 -0.12 0.00 -0.01 0.00 0.00 56.01 52.68 1abb n LEU 18 Cb 0.18 -0.78 -0.09 0.00 -0.11 0.00 0.00 43.42 42.63 1abb n LEU 18 CO 0.03 0.95 0.25 0.00 -1.51 0.00 0.00 177.39 177.11 1abb s ALA 19 N -2.73 -1.45 -0.27 -1.18 0.00 -1.26 -4.99 121.76 109.87 1abb s ALA 19 Ca 0.47 1.76 0.08 0.00 0.00 0.00 0.00 51.96 54.27 1abb s ALA 19 Cb 0.40 -1.03 0.45 0.00 0.00 0.00 0.00 23.12 22.94 1abb s ALA 19 CO 0.09 -0.29 1.19 0.41 0.00 0.00 0.00 175.76 177.17 1abb n GLY 20 N 3.30 6.13 0.00 0.00 0.00 -1.26 -5.05 105.19 108.32 1abb n GLY 20 Ca -0.16 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.45 1abb n GLY 20 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1abb n VAL 21 N -0.78 0.00 -2.32 1.61 3.14 -1.26 -3.29 118.33 115.43 1abb n VAL 21 Ca 0.39 0.23 -0.41 0.00 -2.96 0.00 0.00 64.34 61.59 1abb n VAL 21 Cb 0.92 -0.42 -0.03 0.00 -1.06 0.00 0.00 33.84 33.25 1abb n VAL 21 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1abb s GLU 22 N -0.18 3.07 -0.30 1.45 0.41 -1.26 -4.70 118.70 117.19 1abb s GLU 22 Ca 0.00 0.34 -0.11 0.00 -0.41 0.00 0.00 54.97 54.78 1abb s GLU 22 Cb 0.00 -4.22 0.18 0.00 -1.78 0.00 0.00 34.13 28.31 1abb s GLU 22 CO 0.00 -2.23 0.98 1.21 -0.49 0.00 0.00 175.26 174.73 1abb s ASN 23 N 5.36 -0.60 0.00 -0.19 3.84 -1.21 -5.04 114.94 117.10 1abb s ASN 23 Ca 0.53 0.40 0.08 0.00 0.21 0.00 0.00 52.86 54.08 1abb s ASN 23 Cb -0.11 1.51 0.37 0.00 -0.55 0.00 0.00 41.25 42.47 1abb s ASN 23 CO 0.21 -0.11 1.22 0.52 -2.79 0.00 0.00 177.10 176.15 1abb n VAL 24 N 5.44 1.26 -0.07 -5.21 0.31 -1.26 -1.15 118.33 117.65 1abb n VAL 24 Ca -0.06 0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 64.49 1abb n VAL 24 Cb 0.53 -1.18 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 1abb n VAL 24 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1abb n THR 25 N -1.43 0.90 0.02 2.52 -1.04 -1.26 -2.89 114.28 111.09 1abb n THR 25 Ca 0.03 -0.41 -0.17 0.00 -2.04 0.00 0.00 64.05 61.46 1abb n THR 25 Cb 0.09 -0.93 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 1abb n THR 25 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1abb h GLU 26 N 0.00 0.67 0.00 -2.82 4.39 -1.87 -2.31 114.58 112.64 1abb h GLU 26 Ca -0.35 -0.62 -0.02 0.00 0.34 0.00 0.00 59.36 58.71 1abb h GLU 26 Cb 1.63 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.43 1abb h GLU 26 CO -0.03 1.22 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.89 1abb h LEU 27 N 0.43 0.00 -0.31 1.33 3.38 -1.32 -0.77 115.31 118.04 1abb h LEU 27 Ca -0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1abb h LEU 27 Cb 1.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1abb h LEU 27 CO 0.17 0.09 -0.46 0.11 0.09 0.00 0.00 178.44 178.44 1abb h LYS 28 N 0.00 0.00 0.07 1.13 1.57 -1.48 -2.58 116.57 115.28 1abb h LYS 28 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1abb h LYS 28 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1abb h LYS 28 CO 0.01 0.46 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.09 1abb h LYS 29 N 0.00 -0.09 0.00 3.15 3.64 -0.70 -3.13 116.57 119.44 1abb h LYS 29 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1abb h LYS 29 Cb 1.23 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1abb h LYS 29 CO 0.06 0.40 0.00 -0.91 -2.27 0.00 0.00 179.45 176.73 1abb h ASN 30 N -0.64 0.00 0.15 4.20 2.35 -1.26 -1.37 115.58 119.01 1abb h ASN 30 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1abb h ASN 30 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1abb h ASN 30 CO 0.02 0.00 -0.07 0.15 -1.65 0.00 0.00 177.43 175.87 1abb h PHE 31 N 0.00 -0.19 -0.95 1.19 3.04 -1.54 -2.64 116.94 115.85 1abb h PHE 31 Ca 0.00 -0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.13 1abb h PHE 31 Cb 0.69 0.06 -0.11 0.00 2.56 0.00 0.00 35.95 39.16 1abb h PHE 31 CO 0.00 0.14 0.54 -0.91 -2.02 0.00 0.00 178.31 176.06 1abb h ASN 32 N -0.53 0.66 -0.16 0.41 2.35 -1.43 -1.77 115.58 115.10 1abb h ASN 32 Ca -0.02 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1abb h ASN 32 Cb 0.41 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1abb h ASN 32 CO 0.03 0.22 0.09 0.03 -1.65 0.00 0.00 177.43 176.15 1abb h ARG 33 N 0.67 0.22 0.00 0.81 3.08 -1.21 -2.49 114.38 115.47 1abb h ARG 33 Ca 0.55 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.49 1abb h ARG 33 Cb 0.87 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1abb h ARG 33 CO -0.40 0.24 -0.37 0.45 -1.07 0.00 0.00 179.97 178.82 1abb h HIS 34 N 0.15 0.00 0.00 3.04 3.86 -1.00 -1.92 115.15 119.28 1abb h HIS 34 Ca 0.06 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.14 1abb h HIS 34 Cb 0.08 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1abb h HIS 34 CO -0.04 0.37 -0.62 1.25 0.86 0.00 0.00 177.93 179.75 1abb h LEU 35 N 0.00 0.00 0.00 2.43 5.85 -0.97 0.19 115.31 122.82 1abb h LEU 35 Ca -0.00 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 58.28 1abb h LEU 35 Cb 1.10 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 1abb h LEU 35 CO 0.05 0.62 -2.43 1.41 -0.34 0.00 0.00 178.44 177.75 1abb n HIS 36 N -3.58 0.11 0.05 1.25 -0.00 -0.97 -2.37 115.22 109.71 1abb n HIS 36 Ca -0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 57.72 57.75 1abb n HIS 36 Cb 0.67 -1.01 -0.07 0.00 -0.00 0.00 0.00 29.99 29.58 1abb n HIS 36 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1abb h PHE 37 N -0.83 0.00 0.07 4.41 0.04 -1.46 -0.02 116.94 119.15 1abb h PHE 37 Ca -0.66 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 59.76 1abb h PHE 37 Cb 1.64 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.76 1abb h PHE 37 CO -0.05 0.62 -2.01 2.41 -0.60 0.00 0.00 178.31 178.68 1abb n THR 38 N -3.01 1.66 0.28 -1.55 -1.04 -0.42 -4.44 114.28 105.76 1abb n THR 38 Ca -0.07 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.56 1abb n THR 38 Cb 0.84 -1.74 0.11 0.00 -1.82 0.00 0.00 70.33 67.73 1abb n THR 38 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1abb h LEU 39 N -0.23 0.00 -1.76 -4.42 4.07 -0.82 -3.48 115.31 108.66 1abb h LEU 39 Ca -0.47 -0.05 -0.45 0.00 0.08 0.00 0.00 57.88 56.99 1abb h LEU 39 Cb 1.84 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.59 1abb h LEU 39 CO -0.05 0.03 -0.85 0.52 -1.08 0.00 0.00 178.44 177.01 1abb n VAL 40 N -2.62 -3.79 -4.56 1.22 0.31 -0.02 -4.96 118.33 103.91 1abb n VAL 40 Ca 0.02 -0.46 -0.27 0.00 -0.01 0.00 0.00 64.34 63.62 1abb n VAL 40 Cb 0.51 -3.31 -0.08 0.00 -0.91 0.00 0.00 33.84 30.06 1abb n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1abb s LYS 41 N -6.23 2.01 0.22 5.55 -0.14 -1.00 -5.03 119.74 115.12 1abb s LYS 41 Ca 0.05 -2.24 -0.05 0.00 -1.36 0.00 0.00 55.97 52.37 1abb s LYS 41 Cb -0.03 -0.71 -0.03 0.00 -1.68 0.00 0.00 37.83 35.38 1abb s LYS 41 CO 0.84 -0.50 0.26 0.16 -0.76 0.00 0.00 175.35 175.35 1abb s ASP 42 N -3.66 0.15 0.00 2.83 -4.77 -1.26 -3.77 116.67 106.18 1abb s ASP 42 Ca 0.20 -1.26 0.13 0.00 -3.30 0.00 0.00 52.55 48.31 1abb s ASP 42 Cb 0.02 0.46 0.60 0.00 -1.09 0.00 0.00 42.92 42.90 1abb s ASP 42 CO 0.13 -0.96 1.36 -2.11 0.70 0.00 0.00 175.17 174.29 1abb n ARG 43 N -0.33 0.10 0.12 2.11 1.85 -1.26 -0.93 116.66 118.32 1abb n ARG 43 Ca 0.01 0.22 0.13 0.00 -1.00 0.00 0.00 57.85 57.21 1abb n ARG 43 Cb 0.64 -1.50 0.30 0.00 -1.05 0.00 0.00 32.46 30.86 1abb n ARG 43 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1abb h ASN 44 N 0.00 0.00 0.00 2.89 4.21 -2.04 -3.37 115.58 117.27 1abb h ASN 44 Ca 0.00 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 1abb h ASN 44 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1abb h ASN 44 CO 0.00 0.02 0.00 0.52 -1.29 0.00 0.00 177.43 176.68 1abb n VAL 45 N -2.43 0.00 -0.78 2.81 0.31 -0.45 -5.12 118.33 112.67 1abb n VAL 45 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 1abb n VAL 45 Cb 0.46 1.37 0.22 0.00 -0.91 0.00 0.00 33.84 34.97 1abb n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1abb s ALA 46 N 0.00 0.23 0.17 3.52 0.00 -0.11 -4.87 121.76 120.70 1abb s ALA 46 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1abb s ALA 46 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1abb s ALA 46 CO 0.00 -3.37 -0.14 0.99 0.00 0.00 0.00 175.76 173.25 1abb s THR 47 N -2.65 1.52 0.20 0.00 2.01 -1.26 -4.99 115.64 110.47 1abb s THR 47 Ca 0.67 -2.05 -0.12 0.00 0.31 0.00 0.00 61.69 60.50 1abb s THR 47 Cb -0.22 -1.87 0.25 0.00 0.01 0.00 0.00 72.50 70.66 1abb s THR 47 CO 0.62 -0.57 1.25 -0.81 -0.69 0.00 0.00 174.62 174.41 1abb n PRO 48 N -0.09 -0.15 -0.34 4.92 -0.04 -1.26 -0.68 135.00 137.35 1abb n PRO 48 Ca -0.10 1.24 0.17 0.00 -0.04 0.00 0.00 63.50 64.77 1abb n PRO 48 Cb 0.59 -1.85 0.38 0.00 -0.04 0.00 0.00 33.50 32.59 1abb n PRO 48 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1abb h ARG 49 N 0.00 0.59 -0.01 0.54 2.43 -1.96 0.28 114.38 116.25 1abb h ARG 49 Ca 0.31 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1abb h ARG 49 Cb 0.51 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1abb h ARG 49 CO -0.81 0.39 -0.00 -0.44 -1.51 0.00 0.00 179.97 177.60 1abb h ASP 50 N 0.61 0.02 0.24 -3.80 3.32 -1.28 -0.26 116.42 115.27 1abb h ASP 50 Ca 0.62 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 1abb h ASP 50 Cb 1.16 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1abb h ASP 50 CO -0.42 0.36 -0.31 1.88 -1.72 0.00 0.00 179.24 179.03 1abb h TYR 51 N -0.32 0.13 -0.04 4.55 0.05 -0.14 0.49 116.97 121.68 1abb h TYR 51 Ca 0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1abb h TYR 51 Cb 0.35 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1abb h TYR 51 CO 0.04 0.42 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.63 1abb h TYR 52 N 0.10 0.11 -0.55 4.88 3.20 -0.39 -1.93 116.97 122.40 1abb h TYR 52 Ca 0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1abb h TYR 52 Cb 0.60 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1abb h TYR 52 CO 0.00 0.49 0.36 0.74 -1.64 0.00 0.00 178.16 178.11 1abb h PHE 53 N -0.30 0.69 0.59 -3.82 0.04 0.25 0.27 116.94 114.66 1abb h PHE 53 Ca 0.01 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1abb h PHE 53 Cb 0.46 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1abb h PHE 53 CO 0.07 0.44 -0.40 0.00 -0.60 0.00 0.00 178.31 177.81 1abb h ALA 54 N 1.66 -0.99 -0.78 2.45 0.00 -0.08 -2.23 119.26 119.28 1abb h ALA 54 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1abb h ALA 54 Cb -0.08 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1abb h ALA 54 CO -0.04 -1.08 0.48 1.25 0.00 0.00 0.00 179.25 179.86 1abb h LEU 55 N -0.96 0.93 -1.75 0.00 5.85 -0.33 -1.88 115.31 117.17 1abb h LEU 55 Ca -0.07 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1abb h LEU 55 Cb 0.79 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1abb h LEU 55 CO 0.05 0.71 -0.09 0.00 -0.34 0.00 0.00 178.44 178.77 1abb h ALA 56 N 1.26 1.80 0.00 1.25 0.00 -0.37 0.44 119.26 123.63 1abb h ALA 56 Ca 0.28 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1abb h ALA 56 Cb -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1abb h ALA 56 CO -0.05 0.15 -0.90 0.45 0.00 0.00 0.00 179.25 178.90 1abb h HIS 57 N 0.04 0.01 -0.48 0.00 3.86 -0.81 -1.90 115.15 115.87 1abb h HIS 57 Ca 0.01 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1abb h HIS 57 Cb 0.19 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1abb h HIS 57 CO 0.00 0.91 -0.09 1.15 0.86 0.00 0.00 177.93 180.75 1abb h THR 58 N 0.00 1.26 0.00 2.45 2.02 0.63 -2.33 112.91 116.94 1abb h THR 58 Ca -0.01 -1.19 -0.16 0.00 0.77 0.00 0.00 66.41 65.82 1abb h THR 58 Cb 1.59 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1abb h THR 58 CO 0.12 0.41 -0.78 0.58 0.37 0.00 0.00 175.52 176.22 1abb h VAL 59 N 0.79 1.54 -0.66 3.16 2.07 -1.51 -3.38 116.25 118.28 1abb h VAL 59 Ca 0.13 -2.71 -0.07 0.00 0.82 0.00 0.00 66.70 64.88 1abb h VAL 59 Cb 0.60 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1abb h VAL 59 CO 0.04 0.77 0.14 -0.09 0.02 0.00 0.00 177.57 178.45 1abb h ARG 60 N 0.00 1.06 0.00 1.57 2.43 -0.84 -2.50 114.38 116.10 1abb h ARG 60 Ca -0.01 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1abb h ARG 60 Cb 1.40 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1abb h ARG 60 CO 0.10 0.96 -0.05 -0.44 -1.51 0.00 0.00 179.97 179.04 1abb h ASP 61 N 0.99 0.00 0.75 -3.80 3.32 -1.60 0.86 116.42 116.94 1abb h ASP 61 Ca 0.20 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1abb h ASP 61 Cb 0.39 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.95 1abb h ASP 61 CO 0.01 0.05 -0.36 0.45 -1.72 0.00 0.00 179.24 177.66 1abb h HIS 62 N 0.00 -0.94 -0.07 4.55 3.86 -1.63 -0.54 115.15 120.39 1abb h HIS 62 Ca -0.00 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1abb h HIS 62 Cb 0.09 0.31 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 1abb h HIS 62 CO 0.00 -0.57 -0.41 -0.07 0.86 0.00 0.00 177.93 177.74 1abb h LEU 63 N -1.08 -1.27 0.00 2.43 3.38 -1.09 -1.51 115.31 116.17 1abb h LEU 63 Ca -0.10 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1abb h LEU 63 Cb 0.79 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1abb h LEU 63 CO 0.17 -0.44 0.00 1.33 0.09 0.00 0.00 178.44 179.59 1abb n VAL 64 N -5.44 0.71 -0.03 1.22 0.24 0.26 -0.87 118.33 114.41 1abb n VAL 64 Ca -0.05 0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.29 1abb n VAL 64 Cb 0.36 -0.93 -0.09 0.00 -1.47 0.00 0.00 33.84 31.72 1abb n VAL 64 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1abb h GLY 65 N 2.52 0.19 0.80 7.63 0.00 -0.03 -3.05 103.07 111.12 1abb h GLY 65 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1abb h GLY 65 CO 0.00 0.20 0.02 3.21 0.00 0.00 0.00 176.54 179.97 1abb h ARG 66 N -0.32 0.10 -0.81 4.80 3.08 -1.06 -3.16 114.38 117.01 1abb h ARG 66 Ca 0.00 -0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.22 1abb h ARG 66 Cb 0.68 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.58 1abb h ARG 66 CO 0.02 0.30 0.02 2.35 -1.07 0.00 0.00 179.97 181.60 1abb h TRP 67 N -0.11 -0.03 -0.12 3.04 7.01 -1.06 0.66 115.95 125.35 1abb h TRP 67 Ca 0.02 0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1abb h TRP 67 Cb 0.24 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 1abb h TRP 67 CO 0.01 -0.27 0.05 0.82 -2.79 0.00 0.00 178.44 176.25 1abb h ILE 68 N 0.10 1.14 0.23 2.65 1.08 -1.53 -1.66 117.51 119.52 1abb h ILE 68 Ca 0.46 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1abb h ILE 68 Cb 0.84 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 1abb h ILE 68 CO -0.72 0.13 -0.22 0.03 -0.69 0.00 0.00 178.15 176.68 1abb h ARG 69 N 0.05 -0.46 -0.76 2.37 2.47 0.29 -0.82 114.38 117.51 1abb h ARG 69 Ca 0.04 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 58.93 1abb h ARG 69 Cb 0.15 0.11 -0.14 0.00 -1.65 0.00 0.00 29.97 28.44 1abb h ARG 69 CO -0.00 -0.31 -0.28 1.15 0.56 0.00 0.00 179.97 181.08 1abb h THR 70 N -0.48 0.15 -0.43 2.04 2.02 -1.00 0.14 112.91 115.36 1abb h THR 70 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1abb h THR 70 Cb 0.44 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1abb h THR 70 CO -0.05 0.00 -0.16 1.56 0.37 0.00 0.00 175.52 177.24 1abb h GLN 71 N -0.06 0.87 -0.78 6.66 1.08 -1.01 -0.63 115.11 121.23 1abb h GLN 71 Ca 0.32 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1abb h GLN 71 Cb 0.58 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.93 1abb h GLN 71 CO -0.80 1.00 0.43 1.96 -0.95 0.00 0.00 178.83 180.47 1abb h GLN 72 N 0.69 1.08 0.06 1.46 4.20 0.68 -1.13 115.11 122.15 1abb h GLN 72 Ca 0.10 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1abb h GLN 72 Cb 0.72 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1abb h GLN 72 CO 0.05 0.78 -0.15 1.25 -0.67 0.00 0.00 178.83 180.10 1abb h HIS 73 N 1.08 -0.38 -0.53 2.96 2.76 -0.68 -0.91 115.15 119.46 1abb h HIS 73 Ca 0.28 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1abb h HIS 73 Cb 0.02 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1abb h HIS 73 CO 0.01 -0.22 0.20 1.88 -1.30 0.00 0.00 177.93 178.50 1abb h TYR 74 N -0.28 0.82 0.00 5.26 0.05 0.13 0.55 116.97 123.51 1abb h TYR 74 Ca 0.03 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1abb h TYR 74 Cb 0.30 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 1abb h TYR 74 CO -0.17 0.68 -0.05 1.88 -1.05 0.00 0.00 178.16 179.46 1abb h TYR 75 N 0.72 0.00 0.00 4.88 -1.99 -0.76 0.31 116.97 120.13 1abb h TYR 75 Ca 0.17 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.63 1abb h TYR 75 Cb 0.22 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.90 1abb h TYR 75 CO 0.01 0.05 -1.97 0.39 -0.00 0.00 0.00 178.16 176.64 1abb n GLU 76 N -3.18 0.66 0.00 4.88 -0.58 -0.43 -4.26 120.64 117.73 1abb n GLU 76 Ca 0.00 0.11 0.14 0.00 -0.42 0.00 0.00 57.16 56.99 1abb n GLU 76 Cb 0.31 -1.66 0.62 0.00 -0.57 0.00 0.00 31.44 30.15 1abb n GLU 76 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1abb n LYS 77 N -2.82 1.32 -3.59 3.49 3.00 0.17 -5.00 118.16 114.73 1abb n LYS 77 Ca -0.21 -0.61 0.00 0.00 -0.00 0.00 0.00 58.31 57.49 1abb n LYS 77 Cb 1.01 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.56 1abb n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1abb n ASP 78 N -0.31 0.00 -4.15 3.14 2.03 0.10 -4.96 116.55 112.41 1abb n ASP 78 Ca 0.19 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.21 1abb n ASP 78 Cb 0.29 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.96 1abb n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1abb s PRO 79 N -4.78 -1.74 0.40 -0.67 0.04 -1.26 -5.00 135.00 121.98 1abb s PRO 79 Ca 0.00 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.40 1abb s PRO 79 Cb 0.00 -1.48 -0.09 0.00 0.04 0.00 0.00 34.50 32.97 1abb s PRO 79 CO 0.00 -4.21 1.05 0.21 0.04 0.00 0.00 177.00 174.08 1abb s LYS 80 N -4.62 4.19 -0.06 4.56 2.20 -1.26 -4.91 119.74 119.84 1abb s LYS 80 Ca 0.69 1.50 0.05 0.00 -0.36 0.00 0.00 55.97 57.85 1abb s LYS 80 Cb -0.22 -2.55 -0.02 0.00 -1.51 0.00 0.00 37.83 33.53 1abb s LYS 80 CO 0.63 -0.12 -0.21 1.03 -0.36 0.00 0.00 175.35 176.32 1abb s ARG 81 N -2.48 2.58 -0.11 4.03 0.52 0.11 -4.37 118.95 119.23 1abb s ARG 81 Ca 0.57 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1abb s ARG 81 Cb -0.22 -2.26 0.01 0.00 0.52 0.00 0.00 34.95 33.00 1abb s ARG 81 CO 0.27 0.45 -0.22 -1.50 0.02 0.00 0.00 175.30 174.32 1abb s ILE 82 N -0.31 1.97 -0.53 1.52 -1.16 -0.73 -1.60 121.20 120.35 1abb s ILE 82 Ca 0.01 -0.95 -0.18 0.00 -0.51 0.00 0.00 60.65 59.03 1abb s ILE 82 Cb -0.13 -1.72 0.09 0.00 0.61 0.00 0.00 42.46 41.31 1abb s ILE 82 CO 0.02 0.54 0.57 -0.31 -2.81 0.00 0.00 174.94 172.95 1abb s TYR 83 N 0.56 3.12 -0.65 3.50 1.51 0.45 -1.24 117.35 124.60 1abb s TYR 83 Ca -0.14 -0.90 -0.27 0.00 -1.01 0.00 0.00 57.07 54.75 1abb s TYR 83 Cb -0.17 -3.64 -0.00 0.00 -0.11 0.00 0.00 41.96 38.04 1abb s TYR 83 CO 0.04 -1.05 1.63 -0.47 -1.11 0.00 0.00 175.55 174.60 1abb s TYR 84 N 2.20 1.91 -0.10 2.71 5.04 0.26 -2.05 117.35 127.33 1abb s TYR 84 Ca 0.09 0.47 -0.23 0.00 -2.44 0.00 0.00 57.07 54.96 1abb s TYR 84 Cb -0.24 -4.30 -0.03 0.00 0.35 0.00 0.00 41.96 37.74 1abb s TYR 84 CO 0.07 -2.22 0.69 -0.51 -1.34 0.00 0.00 175.55 172.25 1abb s LEU 85 N 7.74 4.28 -0.02 6.97 1.43 -1.03 -1.82 118.68 136.23 1abb s LEU 85 Ca 0.55 1.12 -0.26 0.00 -1.03 0.00 0.00 54.13 54.51 1abb s LEU 85 Cb -0.11 -3.05 0.06 0.00 0.03 0.00 0.00 46.19 43.11 1abb s LEU 85 CO 0.19 -0.16 0.57 -0.55 0.23 0.00 0.00 176.35 176.63 1abb s SER 86 N 0.88 -0.52 -0.00 2.29 0.15 -1.15 -1.90 113.70 113.44 1abb s SER 86 Ca 0.36 0.48 0.10 0.00 0.70 0.00 0.00 55.95 57.59 1abb s SER 86 Cb -0.17 0.49 0.30 0.00 -1.71 0.00 0.00 66.02 64.93 1abb s SER 86 CO 0.16 -0.60 1.25 0.18 1.20 0.00 0.00 173.24 175.43 1abb n LEU 87 N 0.87 1.84 -3.67 3.45 4.32 -1.26 -4.05 117.00 118.50 1abb n LEU 87 Ca -0.19 -0.92 -0.09 0.00 -0.02 0.00 0.00 56.01 54.78 1abb n LEU 87 Cb 0.58 -0.23 -0.09 0.00 -1.62 0.00 0.00 43.42 42.05 1abb n LEU 87 CO 0.22 0.46 0.20 -0.70 -1.22 0.00 0.00 177.39 176.35 1abb s GLU 88 N -1.55 0.55 -0.09 3.23 2.12 -1.26 -4.79 118.70 116.92 1abb s GLU 88 Ca 0.23 0.97 -0.01 0.00 0.36 0.00 0.00 54.97 56.52 1abb s GLU 88 Cb 0.12 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.62 1abb s GLU 88 CO 0.15 -0.15 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.65 1abb s PHE 89 N 1.38 0.86 -0.65 5.30 0.40 0.46 -4.37 117.98 121.36 1abb s PHE 89 Ca -0.09 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1abb s PHE 89 Cb -0.06 -0.91 0.43 0.00 0.51 0.00 0.00 43.02 42.99 1abb s PHE 89 CO -0.14 -0.38 1.90 0.98 0.70 0.00 0.00 175.22 178.27 1abb n TYR 90 N 5.10 3.13 -0.23 0.36 4.19 -0.88 -2.11 117.16 126.72 1abb n TYR 90 Ca -0.08 -2.79 -0.00 0.00 3.31 0.00 0.00 57.90 58.33 1abb n TYR 90 Cb 0.50 -1.21 0.07 0.00 0.49 0.00 0.00 39.34 39.18 1abb n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 1abb h MET 91 N 2.25 -0.03 -2.75 2.98 2.86 -1.85 -3.43 114.93 114.97 1abb h MET 91 Ca 0.56 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 58.49 1abb h MET 91 Cb 0.74 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 32.26 1abb h MET 91 CO 1.43 -0.02 -0.91 0.41 1.06 0.00 0.00 176.91 178.89 1abb n GLY 92 N -1.46 -2.97 0.00 8.32 0.00 -1.25 -4.88 105.19 102.95 1abb n GLY 92 Ca 0.08 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1abb n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abb n ARG 93 N -3.89 0.00 0.00 1.61 1.74 -1.26 -4.46 116.66 110.40 1abb n ARG 93 Ca -0.06 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1abb n ARG 93 Cb 0.54 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 32.21 1abb n ARG 93 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1abb n THR 94 N 0.00 0.00 0.00 0.55 -1.04 -1.26 -4.49 114.28 108.04 1abb n THR 94 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1abb n THR 94 Cb 0.00 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1abb n THR 94 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1abb n LEU 95 N -1.37 0.12 -0.31 -4.42 0.00 -1.26 -1.49 117.00 108.26 1abb n LEU 95 Ca 0.06 0.80 0.13 0.00 0.00 0.00 0.00 56.01 57.01 1abb n LEU 95 Cb 0.34 -0.40 0.31 0.00 0.00 0.00 0.00 43.42 43.67 1abb n LEU 95 CO 0.35 -0.40 1.05 -0.61 0.00 0.00 0.00 177.39 177.77 1abb h GLN 96 N 0.00 0.39 0.00 1.96 4.15 -1.96 0.30 115.11 119.95 1abb h GLN 96 Ca 0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1abb h GLN 96 Cb 0.00 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1abb h GLN 96 CO 0.00 0.26 -0.22 -0.97 -1.93 0.00 0.00 178.83 175.97 1abb h ASN 97 N 0.40 0.00 -0.18 -0.69 -0.00 -1.78 -0.96 115.58 112.38 1abb h ASN 97 Ca 0.56 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.73 1abb h ASN 97 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.39 1abb h ASN 97 CO -0.53 0.22 -0.41 0.74 -0.00 0.00 0.00 177.43 177.46 1abb h THR 98 N 0.00 1.34 0.65 -3.57 2.02 0.71 -2.85 112.91 111.20 1abb h THR 98 Ca -0.00 -1.66 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 1abb h THR 98 Cb 0.43 1.94 0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1abb h THR 98 CO 0.03 0.51 -0.31 0.24 0.37 0.00 0.00 175.52 176.36 1abb h MET 99 N 0.25 -0.84 0.00 6.66 2.86 -1.19 -0.27 114.93 122.40 1abb h MET 99 Ca -0.00 0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1abb h MET 99 Cb 1.02 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1abb h MET 99 CO 0.09 -0.52 -0.10 -0.39 1.06 0.00 0.00 176.91 177.05 1abb h VAL 100 N -1.03 0.43 0.00 -2.22 -1.51 -1.24 0.48 116.25 111.16 1abb h VAL 100 Ca -0.09 -0.53 -0.14 0.00 -1.23 0.00 0.00 66.70 64.71 1abb h VAL 100 Cb 0.70 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1abb h VAL 100 CO 0.15 0.10 -1.30 0.78 -1.23 0.00 0.00 177.57 176.06 1abb h ASN 101 N 0.00 0.00 -0.49 4.19 4.21 -1.53 -3.33 115.58 118.63 1abb h ASN 101 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1abb h ASN 101 Cb 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1abb h ASN 101 CO 0.01 0.49 0.00 -0.11 -1.29 0.00 0.00 177.43 176.53 1abb n LEU 102 N -2.88 2.85 0.00 1.61 7.94 0.70 -1.09 117.00 126.15 1abb n LEU 102 Ca -0.08 -1.39 0.00 0.00 -1.11 0.00 0.00 56.01 53.44 1abb n LEU 102 Cb 0.79 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1abb n LEU 102 CO 0.42 0.69 0.00 0.00 -1.11 0.00 0.00 177.39 177.40 1abb n ALA 103 N 1.07 0.00 0.28 1.96 0.00 0.13 -4.88 120.51 119.07 1abb n ALA 103 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1abb n ALA 103 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1abb n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1abb n LEU 104 N 0.00 0.01 0.05 0.00 4.32 -0.84 -4.31 117.00 116.24 1abb n LEU 104 Ca 0.00 -0.01 -0.18 0.00 -0.02 0.00 0.00 56.01 55.80 1abb n LEU 104 Cb 0.00 -0.01 -0.08 0.00 -1.62 0.00 0.00 43.42 41.71 1abb n LEU 104 CO 0.00 0.00 0.11 -0.08 -1.22 0.00 0.00 177.39 176.20 1abb h GLU 105 N 0.08 0.61 0.55 3.23 4.81 -1.90 -2.04 114.58 119.91 1abb h GLU 105 Ca 0.00 -0.66 -0.03 0.00 -0.13 0.00 0.00 59.36 58.55 1abb h GLU 105 Cb 0.01 0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1abb h GLU 105 CO 0.00 1.26 -0.27 -0.91 -0.73 0.00 0.00 179.01 178.36 1abb h ASN 106 N 0.34 -0.63 -0.29 1.04 4.21 -1.96 -1.17 115.58 117.12 1abb h ASN 106 Ca -0.11 -0.02 0.07 0.00 1.21 0.00 0.00 56.30 57.44 1abb h ASN 106 Cb 1.66 0.16 -0.07 0.00 -1.12 0.00 0.00 38.32 38.95 1abb h ASN 106 CO 0.19 -0.37 -0.17 0.00 -1.29 0.00 0.00 177.43 175.80 1abb h ALA 107 N -0.47 0.05 -0.14 -0.83 0.00 -1.87 -2.05 119.26 113.95 1abb h ALA 107 Ca -0.08 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1abb h ALA 107 Cb 0.61 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1abb h ALA 107 CO 0.12 -0.56 0.12 0.00 0.00 0.00 0.00 179.25 178.93 1abb h ASP 109 N 0.00 0.68 0.19 0.00 3.58 -0.77 -1.97 116.42 118.13 1abb h ASP 109 Ca 0.07 -0.60 -0.01 0.00 0.42 0.00 0.00 57.03 56.90 1abb h ASP 109 Cb 0.30 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1abb h ASP 109 CO -0.00 1.42 -0.09 -0.08 -2.88 0.00 0.00 179.24 177.61 1abb h GLU 110 N 0.24 -0.25 -0.17 0.28 4.22 -0.52 -1.29 114.58 117.08 1abb h GLU 110 Ca -0.13 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.37 1abb h GLU 110 Cb 1.78 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 31.02 1abb h GLU 110 CO 0.20 0.15 -0.34 0.00 -2.18 0.00 0.00 179.01 176.83 1abb h ALA 111 N -0.15 -0.39 0.00 2.92 0.00 -1.13 0.20 119.26 120.70 1abb h ALA 111 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1abb h ALA 111 Cb 0.51 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1abb h ALA 111 CO 0.04 -0.82 -0.02 1.79 0.00 0.00 0.00 179.25 180.25 1abb h THR 112 N -0.39 0.17 -0.03 0.00 1.35 -1.37 -1.65 112.91 110.99 1abb h THR 112 Ca 0.10 -0.20 -0.05 0.00 -0.55 0.00 0.00 66.41 65.72 1abb h THR 112 Cb 0.56 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1abb h THR 112 CO -0.39 0.02 -0.16 0.22 -0.25 0.00 0.00 175.52 174.96 1abb h TYR 113 N 0.00 0.21 0.49 4.73 3.20 0.56 0.14 116.97 126.31 1abb h TYR 113 Ca -0.00 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1abb h TYR 113 Cb 0.16 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1abb h TYR 113 CO 0.00 0.81 -0.49 1.96 -1.64 0.00 0.00 178.16 178.80 1abb h GLN 114 N -0.44 -0.94 0.00 1.82 4.20 -0.93 -1.39 115.11 117.42 1abb h GLN 114 Ca -0.01 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1abb h GLN 114 Cb 0.83 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1abb h GLN 114 CO 0.03 -0.63 0.00 1.28 -0.67 0.00 0.00 178.83 178.84 1abb n LEU 115 N -5.56 0.00 -1.70 1.46 4.77 -0.64 -4.72 117.00 110.62 1abb n LEU 115 Ca -0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.71 1abb n LEU 115 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1abb n LEU 115 CO 0.27 0.00 -0.19 0.61 -1.33 0.00 0.00 177.39 176.75 1abb n GLY 116 N -0.53 -0.21 3.39 -0.72 0.00 -0.52 -5.02 105.19 101.58 1abb n GLY 116 Ca 0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1abb n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1abb s LEU 117 N -4.28 2.37 -0.44 0.99 1.43 0.48 -5.02 118.68 114.21 1abb s LEU 117 Ca 0.00 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 1abb s LEU 117 Cb 0.00 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.82 1abb s LEU 117 CO 0.00 0.32 0.36 -0.62 0.23 0.00 0.00 176.35 176.64 1abb s ASP 118 N -0.77 6.14 0.57 2.29 2.15 -1.26 -3.65 116.67 122.14 1abb s ASP 118 Ca 0.11 -1.02 0.26 0.00 0.43 0.00 0.00 52.55 52.34 1abb s ASP 118 Cb -0.10 -2.18 1.64 0.00 -0.30 0.00 0.00 42.92 41.97 1abb s ASP 118 CO 0.00 -0.55 2.17 -0.03 -0.17 0.00 0.00 175.17 176.60 1abb h MET 119 N 8.70 0.00 -0.03 4.34 1.85 -1.89 -2.08 114.93 125.82 1abb h MET 119 Ca -0.27 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.81 1abb h MET 119 Cb 1.11 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.14 1abb h MET 119 CO 0.80 0.00 0.00 0.93 -0.40 0.00 0.00 176.91 178.24 1abb h GLU 120 N 0.00 0.05 -0.88 0.39 5.08 -2.00 -0.74 114.58 116.48 1abb h GLU 120 Ca 0.04 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.58 1abb h GLU 120 Cb 0.22 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1abb h GLU 120 CO -0.00 0.30 0.58 0.93 -1.00 0.00 0.00 179.01 179.82 1abb h GLU 121 N -0.21 0.39 -0.14 2.33 5.08 -1.81 -0.10 114.58 120.12 1abb h GLU 121 Ca 0.01 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1abb h GLU 121 Cb 0.27 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1abb h GLU 121 CO 0.00 0.26 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.69 1abb h LEU 122 N 0.40 0.68 -2.19 1.33 3.38 -1.25 -3.09 115.31 114.57 1abb h LEU 122 Ca 0.45 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1abb h LEU 122 Cb 1.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1abb h LEU 122 CO -0.17 1.18 -0.02 -0.33 0.09 0.00 0.00 178.44 179.20 1abb h GLU 123 N 0.23 0.00 0.00 1.13 5.08 0.42 -1.20 114.58 120.24 1abb h GLU 123 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1abb h GLU 123 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1abb h GLU 123 CO 0.11 0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.53 1abb n GLU 124 N -4.16 0.97 0.00 2.33 -0.58 -0.96 -2.66 120.64 115.58 1abb n GLU 124 Ca -0.03 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.83 1abb n GLU 124 Cb 0.10 -1.12 0.14 0.00 -0.57 0.00 0.00 31.44 29.99 1abb n GLU 124 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1abb n ILE 125 N -0.62 0.00 -2.90 -3.67 2.08 -0.45 -4.92 119.36 108.88 1abb n ILE 125 Ca 0.06 -0.08 -0.40 0.00 0.56 0.00 0.00 62.75 62.88 1abb n ILE 125 Cb 0.03 0.66 -0.04 0.00 -0.75 0.00 0.00 39.64 39.53 1abb n ILE 125 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1abb s GLU 126 N -2.78 4.53 0.11 0.38 2.12 -1.09 -5.01 118.70 116.96 1abb s GLU 126 Ca 0.15 1.16 -0.30 0.00 0.36 0.00 0.00 54.97 56.34 1abb s GLU 126 Cb 0.18 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 31.10 1abb s GLU 126 CO 0.68 0.15 1.00 -1.21 -0.54 0.00 0.00 175.26 175.34 1abb s GLU 127 N 0.39 4.65 -0.25 4.30 0.41 -1.26 -4.87 118.70 122.07 1abb s GLU 127 Ca 0.43 1.52 -0.29 0.00 -0.41 0.00 0.00 54.97 56.22 1abb s GLU 127 Cb -0.20 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 28.75 1abb s GLU 127 CO 0.24 0.13 1.81 -0.51 -0.49 0.00 0.00 175.26 176.43 1abb s ASP 128 N 0.16 6.04 -0.47 -0.19 1.11 -1.26 -4.19 116.67 117.86 1abb s ASP 128 Ca 0.49 1.60 -0.39 0.00 0.18 0.00 0.00 52.55 54.42 1abb s ASP 128 Cb -0.25 -2.53 -0.16 0.00 1.07 0.00 0.00 42.92 41.06 1abb s ASP 128 CO 0.31 -1.54 2.20 0.00 1.18 0.00 0.00 175.17 177.32 1abb n ALA 129 N 9.63 0.56 -1.56 5.23 0.00 -1.26 -4.76 120.51 128.36 1abb n ALA 129 Ca 0.22 0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.30 1abb n ALA 129 Cb 0.46 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 1abb n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1abb n GLY 130 N 7.05 4.42 0.01 0.00 0.00 -1.26 -3.74 105.19 111.66 1abb n GLY 130 Ca 0.50 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1abb n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1abb n LEU 131 N 4.26 1.58 -4.48 0.99 7.99 -1.24 -3.54 117.00 122.56 1abb n LEU 131 Ca 0.67 -1.62 -0.24 0.00 -0.01 0.00 0.00 56.01 54.80 1abb n LEU 131 Cb 0.29 -0.02 -0.09 0.00 -0.11 0.00 0.00 43.42 43.50 1abb n LEU 131 CO 0.86 0.40 -0.20 -0.83 -1.51 0.00 0.00 177.39 176.11 1abb s GLY 132 N -0.87 2.45 0.00 -0.72 0.00 -0.90 -0.40 107.32 106.88 1abb s GLY 132 Ca 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1abb s GLY 132 CO 0.00 -1.79 0.00 -2.01 0.00 0.00 0.00 173.10 169.30 1abb n ASN 133 N -1.17 0.00 0.00 1.64 5.15 -1.26 -4.67 115.26 114.95 1abb n ASN 133 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1abb n ASN 133 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 1abb n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1abb n GLY 134 N -0.42 4.73 0.46 8.20 0.00 -1.26 -5.05 105.19 111.85 1abb n GLY 134 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 1abb n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1abb h GLY 135 N 0.00 -1.05 0.48 -0.02 0.00 -2.01 -1.24 103.07 99.23 1abb h GLY 135 Ca 0.00 0.67 0.18 0.00 0.00 0.00 0.00 47.33 48.19 1abb h GLY 135 CO 0.00 -0.19 0.55 -2.00 0.00 0.00 0.00 176.54 174.90 1abb h LEU 136 N -0.56 0.35 0.14 3.11 7.12 -1.96 0.24 115.31 123.75 1abb h LEU 136 Ca 0.04 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 1abb h LEU 136 Cb 0.67 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 1abb h LEU 136 CO -0.45 0.16 -0.07 1.23 -0.13 0.00 0.00 178.44 179.18 1abb h GLY 137 N 0.36 -0.20 0.48 3.75 0.00 -1.65 -2.89 103.07 102.93 1abb h GLY 137 Ca 0.41 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.95 1abb h GLY 137 CO -0.13 -0.07 0.61 -0.09 0.00 0.00 0.00 176.54 176.85 1abb h ARG 138 N -0.83 0.84 -0.06 4.80 9.65 -0.01 0.19 114.38 128.95 1abb h ARG 138 Ca -0.02 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1abb h ARG 138 Cb 0.54 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1abb h ARG 138 CO 0.03 0.55 0.02 1.25 2.80 0.00 0.00 179.97 184.62 1abb h LEU 139 N 0.86 0.10 -0.90 3.80 5.85 -0.64 0.15 115.31 124.53 1abb h LEU 139 Ca 0.48 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 1abb h LEU 139 Cb 0.60 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1abb h LEU 139 CO -0.25 0.30 -0.12 0.00 -0.34 0.00 0.00 178.44 178.04 1abb h ALA 140 N 0.80 1.07 0.02 1.25 0.00 -1.22 0.87 119.26 122.05 1abb h ALA 140 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1abb h ALA 140 Cb 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1abb h ALA 140 CO 0.00 0.57 -0.48 0.00 0.00 0.00 0.00 179.25 179.34 1abb h ALA 141 N 1.25 -0.82 -1.00 0.00 0.00 -0.63 -0.95 119.26 117.11 1abb h ALA 141 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1abb h ALA 141 Cb 0.56 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1abb h ALA 141 CO 0.03 -1.04 0.66 0.00 0.00 0.00 0.00 179.25 178.91 1abb h PHE 143 N 1.32 0.00 -0.48 0.00 -1.00 -0.38 -2.83 116.94 113.57 1abb h PHE 143 Ca 0.38 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.10 1abb h PHE 143 Cb -0.08 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 1abb h PHE 143 CO -0.00 0.27 0.06 -0.07 -1.61 0.00 0.00 178.31 176.96 1abb h LEU 144 N 0.00 0.71 0.43 1.54 3.38 0.22 -0.23 115.31 121.36 1abb h LEU 144 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1abb h LEU 144 Cb 0.58 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1abb h LEU 144 CO 0.04 0.74 -0.21 -0.78 0.09 0.00 0.00 178.44 178.32 1abb h ASP 145 N 0.72 -0.49 -0.80 -0.43 1.82 -1.52 -2.75 116.42 112.98 1abb h ASP 145 Ca 0.15 0.02 0.13 0.00 -0.39 0.00 0.00 57.03 56.94 1abb h ASP 145 Cb 0.35 0.13 -0.06 0.00 0.68 0.00 0.00 39.33 40.43 1abb h ASP 145 CO 0.01 -0.31 0.52 0.28 -1.61 0.00 0.00 179.24 178.13 1abb h SER 146 N -0.65 0.56 -0.73 2.28 0.02 -1.46 -0.13 113.55 113.44 1abb h SER 146 Ca -0.06 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1abb h SER 146 Cb 0.44 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1abb h SER 146 CO 0.10 0.30 0.47 0.24 -1.14 0.00 0.00 176.83 176.80 1abb h MET 147 N 0.60 0.91 0.12 3.45 2.86 -0.94 -1.04 114.93 120.88 1abb h MET 147 Ca 0.39 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.82 1abb h MET 147 Cb 0.66 -0.20 0.02 0.00 0.06 0.00 0.00 31.60 32.13 1abb h MET 147 CO -0.15 0.60 -0.67 0.00 1.06 0.00 0.00 176.91 177.75 1abb h ALA 148 N 1.29 -0.07 -1.30 6.32 0.00 -0.79 -0.08 119.26 124.63 1abb h ALA 148 Ca 0.28 -0.66 0.38 0.00 0.00 0.00 0.00 54.91 54.91 1abb h ALA 148 Cb -0.04 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1abb h ALA 148 CO -0.09 0.31 0.89 1.15 0.00 0.00 0.00 179.25 181.51 1abb h THR 149 N -0.49 0.30 -0.50 0.00 2.02 -1.06 0.27 112.91 113.46 1abb h THR 149 Ca -0.12 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1abb h THR 149 Cb 1.53 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1abb h THR 149 CO 0.12 0.02 0.00 0.18 0.37 0.00 0.00 175.52 176.22 1abb n LEU 150 N -4.40 4.84 -2.78 2.58 4.77 -0.40 -4.62 117.00 116.98 1abb n LEU 150 Ca 0.31 -2.77 -0.20 0.00 -0.03 0.00 0.00 56.01 53.32 1abb n LEU 150 Cb 1.32 -0.59 0.01 0.00 -2.33 0.00 0.00 43.42 41.82 1abb n LEU 150 CO 0.32 0.70 -0.11 0.61 -1.33 0.00 0.00 177.39 177.57 1abb n GLY 151 N 0.46 -0.51 3.77 -0.72 0.00 0.96 -0.74 105.19 108.41 1abb n GLY 151 Ca 0.25 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 1abb n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1abb s LEU 152 N -6.28 4.58 -0.37 0.99 1.43 -0.09 -4.84 118.68 114.11 1abb s LEU 152 Ca 0.17 1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 54.67 1abb s LEU 152 Cb -0.08 -3.32 -0.27 0.00 0.03 0.00 0.00 46.19 42.55 1abb s LEU 152 CO 0.21 0.18 1.75 0.00 0.23 0.00 0.00 176.35 178.71 1abb n ALA 153 N 1.75 2.05 -2.46 4.21 0.00 -1.26 -4.74 120.51 120.05 1abb n ALA 153 Ca -0.05 -2.93 -0.30 0.00 0.00 0.00 0.00 53.44 50.16 1abb n ALA 153 Cb 0.49 -3.67 -0.12 0.00 0.00 0.00 0.00 19.45 16.15 1abb n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1abb s ALA 154 N 5.98 2.60 0.05 0.00 0.00 -1.26 -1.77 121.76 127.37 1abb s ALA 154 Ca 0.62 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1abb s ALA 154 Cb 0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1abb s ALA 154 CO 0.23 0.58 -0.09 0.71 0.00 0.00 0.00 175.76 177.19 1abb s TYR 155 N -1.06 0.82 -0.19 0.00 1.51 -0.38 -4.22 117.35 113.83 1abb s TYR 155 Ca 0.16 -0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1abb s TYR 155 Cb -0.10 -0.48 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 1abb s TYR 155 CO 0.08 -0.05 0.03 0.20 -1.11 0.00 0.00 175.55 174.71 1abb s GLY 156 N -1.64 1.81 -0.16 0.71 0.00 -1.22 -0.57 107.32 106.25 1abb s GLY 156 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1abb s GLY 156 CO 0.01 0.14 -0.12 -0.19 0.00 0.00 0.00 173.10 172.94 1abb s TYR 157 N 0.68 2.13 0.10 1.90 2.02 -0.75 -2.13 117.35 121.30 1abb s TYR 157 Ca 0.02 -1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 55.43 1abb s TYR 157 Cb -0.14 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1abb s TYR 157 CO 0.02 -0.67 0.18 0.41 -1.57 0.00 0.00 175.55 173.92 1abb n GLY 158 N 4.77 2.24 3.95 0.71 0.00 -1.22 -2.92 105.19 112.72 1abb n GLY 158 Ca -0.15 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 1abb n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1abb s ILE 159 N -2.65 5.22 -0.13 -0.61 1.01 -1.26 -0.48 121.20 122.29 1abb s ILE 159 Ca 0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1abb s ILE 159 Cb -0.01 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1abb s ILE 159 CO 0.04 -0.31 -0.07 -0.60 0.00 0.00 0.00 174.94 174.01 1abb s ARG 160 N -3.78 3.39 -0.30 2.79 3.52 0.47 -4.62 118.95 120.42 1abb s ARG 160 Ca 0.37 -0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1abb s ARG 160 Cb -0.10 -2.77 0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1abb s ARG 160 CO 0.31 0.33 0.05 0.71 -0.81 0.00 0.00 175.30 175.89 1abb s TYR 161 N 0.09 3.18 0.26 5.12 2.02 -1.26 -4.73 117.35 122.02 1abb s TYR 161 Ca -0.02 -1.32 -0.04 0.00 -0.37 0.00 0.00 57.07 55.32 1abb s TYR 161 Cb -0.14 -2.21 0.34 0.00 -0.40 0.00 0.00 41.96 39.55 1abb s TYR 161 CO 0.03 -0.68 1.90 0.93 -1.57 0.00 0.00 175.55 176.16 1abb h GLU 162 N 8.16 1.18 -0.48 -0.62 5.08 -1.60 -3.12 114.58 123.19 1abb h GLU 162 Ca -0.28 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1abb h GLU 162 Cb 1.10 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1abb h GLU 162 CO 0.59 0.78 0.00 1.19 -1.00 0.00 0.00 179.01 180.57 1abb n PHE 163 N -4.48 1.57 0.00 4.33 3.72 -1.10 -3.51 117.46 118.00 1abb n PHE 163 Ca 0.14 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 1abb n PHE 163 Cb 0.12 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 1abb n PHE 163 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1abb n GLY 164 N 0.33 0.45 3.62 1.37 0.00 -1.18 -3.21 105.19 106.57 1abb n GLY 164 Ca 0.25 0.60 -0.02 0.00 0.00 0.00 0.00 46.02 46.85 1abb n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1abb s ILE 165 N 0.00 0.00 0.74 -0.61 -1.16 -1.26 -2.45 121.20 116.46 1abb s ILE 165 Ca 0.00 -0.17 -0.15 0.00 -0.51 0.00 0.00 60.65 59.82 1abb s ILE 165 Cb 0.00 -1.56 0.04 0.00 0.61 0.00 0.00 42.46 41.55 1abb s ILE 165 CO 0.00 0.00 1.24 0.72 -2.81 0.00 0.00 174.94 174.09 1abb s PHE 166 N -2.55 1.91 -0.29 3.50 -0.71 -1.26 -4.04 117.98 114.54 1abb s PHE 166 Ca 0.12 1.59 -0.11 0.00 -1.04 0.00 0.00 56.93 57.49 1abb s PHE 166 Cb 0.02 -3.58 -0.05 0.00 -1.21 0.00 0.00 43.02 38.20 1abb s PHE 166 CO -0.04 -2.90 0.21 1.21 -1.34 0.00 0.00 175.22 172.35 1abb s ASN 167 N -1.83 6.04 0.07 1.98 3.84 -0.07 -4.87 114.94 120.09 1abb s ASN 167 Ca 0.77 -0.04 -0.26 0.00 0.21 0.00 0.00 52.86 53.55 1abb s ASN 167 Cb -0.33 -2.13 -0.06 0.00 -0.55 0.00 0.00 41.25 38.19 1abb s ASN 167 CO 0.46 -0.08 0.80 -1.58 -2.79 0.00 0.00 177.10 173.92 1abb s GLN 168 N 1.78 4.54 -0.06 0.43 0.74 -1.26 0.21 119.66 126.03 1abb s GLN 168 Ca 0.07 1.15 0.05 0.00 0.05 0.00 0.00 55.36 56.68 1abb s GLN 168 Cb -0.16 -3.36 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 1abb s GLN 168 CO 0.11 0.29 -0.22 0.21 -0.55 0.00 0.00 175.29 175.12 1abb s LYS 169 N -0.12 2.60 -0.45 1.67 2.47 0.74 -4.37 119.74 122.30 1abb s LYS 169 Ca 0.40 -0.85 -0.12 0.00 -1.56 0.00 0.00 55.97 53.83 1abb s LYS 169 Cb -0.21 -2.23 0.07 0.00 -1.46 0.00 0.00 37.83 34.00 1abb s LYS 169 CO 0.24 0.41 0.33 0.42 0.16 0.00 0.00 175.35 176.91 1abb s ILE 170 N -0.22 4.75 -0.23 5.43 -1.09 -1.26 -0.86 121.20 127.73 1abb s ILE 170 Ca -0.01 -1.22 0.01 0.00 -2.23 0.00 0.00 60.65 57.20 1abb s ILE 170 Cb -0.13 -3.87 0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1abb s ILE 170 CO 0.03 -0.54 -0.13 0.00 -1.23 0.00 0.00 174.94 173.07 1abb n GLY 172 N 4.56 0.69 2.27 0.00 0.00 -1.26 -2.08 105.19 109.37 1abb n GLY 172 Ca -0.17 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1abb n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1abb n GLY 173 N -2.56 0.83 3.31 -0.02 0.00 -1.26 -5.03 105.19 100.45 1abb n GLY 173 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1abb n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1abb s TRP 174 N -2.42 2.36 -0.08 1.61 0.23 -0.88 -4.23 118.94 115.53 1abb s TRP 174 Ca 0.00 -0.49 -0.30 0.00 -2.03 0.00 0.00 56.10 53.29 1abb s TRP 174 Cb 0.00 -1.52 -0.02 0.00 0.03 0.00 0.00 33.47 31.95 1abb s TRP 174 CO 0.00 -0.07 1.12 -1.14 0.96 0.00 0.00 176.95 177.82 1abb s GLN 175 N -0.52 4.37 -0.02 4.98 0.74 -1.26 -0.42 119.66 127.53 1abb s GLN 175 Ca 0.07 1.55 0.05 0.00 0.05 0.00 0.00 55.36 57.09 1abb s GLN 175 Cb -0.11 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 1abb s GLN 175 CO -0.00 -0.41 -0.18 -1.64 -0.55 0.00 0.00 175.29 172.51 1abb s MET 176 N 2.20 1.60 -0.21 1.67 -1.94 -0.04 -4.95 119.30 117.63 1abb s MET 176 Ca 0.52 -0.66 -0.15 0.00 -1.71 0.00 0.00 55.69 53.69 1abb s MET 176 Cb -0.22 -1.50 -0.04 0.00 2.01 0.00 0.00 34.83 35.08 1abb s MET 176 CO 0.20 0.36 0.37 -1.83 -0.01 0.00 0.00 175.02 174.11 1abb s GLU 177 N -0.32 4.16 0.32 2.03 1.03 -1.26 -0.18 118.70 124.47 1abb s GLU 177 Ca 0.04 0.15 0.01 0.00 0.03 0.00 0.00 54.97 55.20 1abb s GLU 177 Cb -0.08 -3.54 -0.03 0.00 -0.80 0.00 0.00 34.13 29.67 1abb s GLU 177 CO 0.00 -0.04 0.51 -1.21 -1.33 0.00 0.00 175.26 173.19 1abb s GLU 178 N 1.31 3.48 0.34 -4.83 2.02 0.13 -4.92 118.70 116.23 1abb s GLU 178 Ca 0.18 -0.41 -0.20 0.00 0.02 0.00 0.00 54.97 54.56 1abb s GLU 178 Cb -0.15 -2.71 -0.10 0.00 0.10 0.00 0.00 34.13 31.28 1abb s GLU 178 CO 0.08 0.21 0.84 0.00 0.02 0.00 0.00 175.26 176.40 1abb s ALA 179 N -2.24 3.23 -0.78 5.21 0.00 -1.26 -0.89 121.76 125.03 1abb s ALA 179 Ca 0.39 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 1abb s ALA 179 Cb -0.10 -2.97 0.19 0.00 0.00 0.00 0.00 23.12 20.25 1abb s ALA 179 CO 0.34 0.24 0.74 0.34 0.00 0.00 0.00 175.76 177.43 1abb s ASP 180 N -2.01 6.64 -1.22 0.00 2.15 -1.20 -4.62 116.67 116.41 1abb s ASP 180 Ca 0.54 -2.46 -0.08 0.00 0.43 0.00 0.00 52.55 50.98 1abb s ASP 180 Cb -0.13 -2.23 0.21 0.00 -0.30 0.00 0.00 42.92 40.48 1abb s ASP 180 CO 0.18 -0.67 1.72 -0.90 -0.17 0.00 0.00 175.17 175.32 1abb n ASP 181 N 4.43 5.44 -0.28 -0.34 5.75 -1.26 -3.17 116.55 127.12 1abb n ASP 181 Ca 0.09 -3.17 0.28 0.00 -0.01 0.00 0.00 54.79 51.98 1abb n ASP 181 Cb 0.46 -1.43 0.65 0.00 -1.03 0.00 0.00 41.12 39.76 1abb n ASP 181 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1abb h TRP 182 N 5.82 0.26 -0.01 2.11 5.08 -1.90 -1.05 115.95 126.26 1abb h TRP 182 Ca 0.33 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.31 1abb h TRP 182 Cb 0.65 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.74 1abb h TRP 182 CO 1.16 0.03 0.00 1.28 -1.28 0.00 0.00 178.44 179.63 1abb n LEU 183 N -4.37 0.19 -0.43 0.11 4.77 -1.26 -4.35 117.00 111.67 1abb n LEU 183 Ca 0.23 -0.07 0.37 0.00 -0.03 0.00 0.00 56.01 56.51 1abb n LEU 183 Cb 1.02 -0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.80 1abb n LEU 183 CO 0.34 0.03 1.32 -0.09 -1.33 0.00 0.00 177.39 177.67 1abb h ARG 184 N 0.28 0.09 -0.10 3.23 2.43 -1.51 0.42 114.38 119.21 1abb h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1abb h ARG 184 Cb 0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1abb h ARG 184 CO 0.00 0.06 0.00 0.66 -1.51 0.00 0.00 179.97 179.18 1abb n TYR 185 N -4.32 0.19 0.00 2.20 4.01 -1.26 -5.09 117.16 112.89 1abb n TYR 185 Ca 0.32 -0.65 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 1abb n TYR 185 Cb 1.38 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 40.31 1abb n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1abb n GLY 186 N -0.50 2.84 3.00 2.72 0.00 0.13 -5.00 105.19 108.38 1abb n GLY 186 Ca 0.08 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1abb n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1abb s ASN 187 N 0.00 3.97 0.47 1.61 2.47 -1.26 -4.75 114.94 117.45 1abb s ASN 187 Ca 0.00 -1.20 0.31 0.00 0.42 0.00 0.00 52.86 52.39 1abb s ASN 187 Cb 0.00 -1.32 1.69 0.00 -1.45 0.00 0.00 41.25 40.17 1abb s ASN 187 CO 0.00 -0.20 1.96 1.55 -3.72 0.00 0.00 177.10 176.69 1abb h PRO 188 N 7.89 0.00 0.00 0.43 0.13 -1.96 -2.87 132.00 135.62 1abb h PRO 188 Ca -0.20 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.70 1abb h PRO 188 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1abb h PRO 188 CO 0.44 0.00 -2.22 0.91 -0.23 0.00 0.00 178.00 176.90 1abb n TRP 189 N -2.61 0.03 -1.98 1.56 7.02 -1.26 -4.78 117.44 115.41 1abb n TRP 189 Ca -0.02 0.01 -0.32 0.00 -1.02 0.00 0.00 57.50 56.15 1abb n TRP 189 Cb 0.06 -0.82 0.01 0.00 -2.42 0.00 0.00 31.31 28.14 1abb n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1abb s GLU 190 N -2.89 3.51 -0.11 -0.99 -1.05 -1.09 -4.51 118.70 111.58 1abb s GLU 190 Ca -0.09 0.92 0.01 0.00 -0.15 0.00 0.00 54.97 55.67 1abb s GLU 190 Cb 0.09 -2.07 0.02 0.00 -0.44 0.00 0.00 34.13 31.73 1abb s GLU 190 CO 0.86 -0.64 -0.13 0.21 0.95 0.00 0.00 175.26 176.51 1abb s LYS 191 N -4.66 2.02 0.61 -4.83 2.36 0.16 -4.91 119.74 110.49 1abb s LYS 191 Ca 0.58 -0.48 -0.14 0.00 -2.55 0.00 0.00 55.97 53.38 1abb s LYS 191 Cb -0.12 -1.79 -0.03 0.00 -1.05 0.00 0.00 37.83 34.84 1abb s LYS 191 CO 0.45 -0.12 1.04 0.00 1.55 0.00 0.00 175.35 178.28 1abb s ALA 192 N 1.15 2.80 -0.57 3.13 0.00 -1.26 -0.28 121.76 126.73 1abb s ALA 192 Ca -0.04 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.22 1abb s ALA 192 Cb -0.14 -3.19 0.18 0.00 0.00 0.00 0.00 23.12 19.97 1abb s ALA 192 CO -0.03 -0.81 0.46 0.54 0.00 0.00 0.00 175.76 175.92 1abb n ARG 193 N -2.28 1.21 0.02 0.00 5.12 0.42 -4.89 116.66 116.27 1abb n ARG 193 Ca 0.08 -3.94 0.10 0.00 -1.93 0.00 0.00 57.85 52.16 1abb n ARG 193 Cb 0.53 -1.99 0.43 0.00 -1.16 0.00 0.00 32.46 30.27 1abb n ARG 193 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1abb n PRO 194 N 2.15 0.03 0.19 5.56 -0.04 -1.26 -2.39 135.00 139.23 1abb n PRO 194 Ca 0.25 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1abb n PRO 194 Cb 0.41 -1.55 0.32 0.00 -0.04 0.00 0.00 33.50 32.65 1abb n PRO 194 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1abb h GLU 195 N 0.00 0.00 -0.43 0.54 3.07 -1.97 -3.29 114.58 112.51 1abb h GLU 195 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1abb h GLU 195 Cb 0.36 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 1abb h GLU 195 CO 0.00 0.00 0.06 1.19 -1.40 0.00 0.00 179.01 178.86 1abb n PHE 196 N -2.79 1.47 -1.65 4.33 3.72 -1.01 -5.00 117.46 116.53 1abb n PHE 196 Ca 0.04 -1.05 -0.46 0.00 -0.05 0.00 0.00 57.45 55.93 1abb n PHE 196 Cb 0.46 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1abb n PHE 196 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1abb n THR 197 N -0.40 0.77 -4.29 4.37 -1.04 -1.24 -4.66 114.28 107.79 1abb n THR 197 Ca 0.29 -0.19 -0.23 0.00 -2.04 0.00 0.00 64.05 61.88 1abb n THR 197 Cb 1.07 -1.33 -0.12 0.00 -1.82 0.00 0.00 70.33 68.14 1abb n THR 197 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1abb s LEU 198 N 0.33 2.34 0.36 -4.42 1.43 0.77 -4.91 118.68 114.58 1abb s LEU 198 Ca 0.71 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 1abb s LEU 198 Cb -0.71 -0.83 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 1abb s LEU 198 CO 0.48 0.01 0.98 -2.16 0.23 0.00 0.00 176.35 175.89 1abb s PRO 199 N -2.18 4.40 -0.08 1.29 0.04 -1.26 -0.19 135.00 137.02 1abb s PRO 199 Ca 0.08 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.48 1abb s PRO 199 Cb -0.09 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1abb s PRO 199 CO 0.05 0.10 -0.10 0.08 0.04 0.00 0.00 177.00 177.17 1abb s VAL 200 N -1.73 1.06 -0.12 -0.36 1.01 -0.51 -4.86 120.40 114.88 1abb s VAL 200 Ca 0.54 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1abb s VAL 200 Cb -0.18 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1abb s VAL 200 CO 0.23 0.35 0.19 -1.00 0.00 0.00 0.00 175.10 174.87 1abb s HIS 201 N 1.02 3.57 0.12 5.22 3.76 -1.26 -1.17 115.29 126.55 1abb s HIS 201 Ca -0.08 0.56 0.04 0.00 -0.15 0.00 0.00 55.06 55.43 1abb s HIS 201 Cb -0.15 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 1abb s HIS 201 CO -0.00 0.59 -0.10 -0.06 -0.85 0.00 0.00 174.74 174.32 1abb s PHE 202 N -0.62 1.12 0.00 1.40 0.08 0.13 -4.96 117.98 115.13 1abb s PHE 202 Ca 0.15 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.46 1abb s PHE 202 Cb -0.13 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 1abb s PHE 202 CO 0.04 0.01 0.00 0.66 -0.10 0.00 0.00 175.22 175.83 1abb n TYR 203 N 0.17 -0.50 0.00 0.36 4.01 -0.91 0.10 117.16 120.38 1abb n TYR 203 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1abb n TYR 203 Cb 0.59 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 1abb n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1abb n GLY 204 N 0.00 0.04 3.42 2.72 0.00 -1.25 -4.43 105.19 105.69 1abb n GLY 204 Ca 0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 46.02 43.74 1abb n GLY 204 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1abb s ARG 205 N 0.00 0.91 -0.22 1.61 3.52 0.34 -4.90 118.95 120.21 1abb s ARG 205 Ca 0.00 0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.69 1abb s ARG 205 Cb 0.00 0.42 -0.01 0.00 -1.56 0.00 0.00 34.95 33.80 1abb s ARG 205 CO 0.00 -0.27 -0.03 0.08 -0.81 0.00 0.00 175.30 174.27 1abb s VAL 206 N -1.18 3.53 -0.23 7.11 1.01 -1.26 0.88 120.40 130.26 1abb s VAL 206 Ca -0.11 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1abb s VAL 206 Cb -0.02 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1abb s VAL 206 CO 0.08 0.42 0.10 -0.70 0.00 0.00 0.00 175.10 175.00 1abb s GLU 207 N 1.36 3.88 -0.45 2.72 2.12 0.16 -4.90 118.70 123.58 1abb s GLU 207 Ca 0.04 -0.37 -0.23 0.00 0.36 0.00 0.00 54.97 54.77 1abb s GLU 207 Cb -0.14 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 30.90 1abb s GLU 207 CO -0.01 0.01 0.78 -1.01 -0.54 0.00 0.00 175.26 174.48 1abb s HIS 208 N 1.13 2.99 -0.24 5.30 3.76 -1.26 0.26 115.29 127.24 1abb s HIS 208 Ca 0.05 0.13 0.01 0.00 -0.15 0.00 0.00 55.06 55.11 1abb s HIS 208 Cb -0.14 -3.65 0.06 0.00 1.11 0.00 0.00 32.58 29.96 1abb s HIS 208 CO 0.04 -0.99 -0.07 0.95 -0.85 0.00 0.00 174.74 173.83 1abb s THR 209 N 3.26 1.65 0.00 1.30 -4.23 -1.05 -4.95 115.64 111.62 1abb s THR 209 Ca 0.29 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1abb s THR 209 Cb -0.12 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1abb s THR 209 CO 0.22 -0.07 0.00 -1.54 -0.54 0.00 0.00 174.62 172.69 1abb n SER 210 N 4.63 0.00 -0.44 3.99 3.41 -1.26 -2.72 113.62 121.24 1abb n SER 210 Ca -0.13 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.56 1abb n SER 210 Cb 0.44 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.56 1abb n SER 210 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1abb n GLN 211 N 0.00 2.26 -0.04 4.33 -0.06 -1.26 -5.04 117.38 117.57 1abb n GLN 211 Ca 0.00 -2.51 0.00 0.00 -2.00 0.00 0.00 57.00 52.49 1abb n GLN 211 Cb 0.00 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.62 1abb n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1abb n GLY 212 N -0.79 1.30 3.57 1.69 0.00 -1.10 -5.04 105.19 104.81 1abb n GLY 212 Ca 0.16 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 1abb n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abb s ALA 213 N -1.00 2.94 -0.05 4.61 0.00 -1.26 -2.52 121.76 124.48 1abb s ALA 213 Ca 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.42 1abb s ALA 213 Cb 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 1abb s ALA 213 CO 0.00 0.39 -0.17 0.15 0.00 0.00 0.00 175.76 176.13 1abb s LYS 214 N -3.11 1.84 -0.39 0.00 1.02 0.14 -4.81 119.74 114.43 1abb s LYS 214 Ca 0.27 -0.59 -0.09 0.00 0.02 0.00 0.00 55.97 55.58 1abb s LYS 214 Cb -0.08 -1.56 0.06 0.00 -0.52 0.00 0.00 37.83 35.73 1abb s LYS 214 CO 0.16 0.20 0.21 -0.46 -0.92 0.00 0.00 175.35 174.54 1abb s TRP 215 N 0.16 3.30 0.47 3.18 -0.00 -1.26 0.39 118.94 125.18 1abb s TRP 215 Ca -0.07 -1.40 0.06 0.00 -0.00 0.00 0.00 56.10 54.69 1abb s TRP 215 Cb -0.13 -2.69 -0.01 0.00 -0.00 0.00 0.00 33.47 30.64 1abb s TRP 215 CO 0.03 -0.78 0.27 0.14 -0.00 0.00 0.00 176.95 176.61 1abb s VAL 216 N 1.44 2.02 -1.27 5.86 -7.23 0.25 -4.73 120.40 116.74 1abb s VAL 216 Ca 0.02 -1.60 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1abb s VAL 216 Cb -0.21 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.13 1abb s VAL 216 CO 0.03 0.00 0.21 0.47 -0.31 0.00 0.00 175.10 175.50 1abb n ASP 217 N -1.47 -4.43 -4.74 4.85 8.00 -1.26 -0.51 116.55 116.99 1abb n ASP 217 Ca -0.02 -0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.03 1abb n ASP 217 Cb 0.64 -3.70 -0.05 0.00 -0.02 0.00 0.00 41.12 38.00 1abb n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1abb s THR 218 N -2.82 4.46 1.03 -3.53 -4.23 -1.26 -3.95 115.64 105.34 1abb s THR 218 Ca 0.14 1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 62.48 1abb s THR 218 Cb -0.07 -4.27 0.21 0.00 1.34 0.00 0.00 72.50 69.71 1abb s THR 218 CO 0.17 0.37 1.07 -1.58 -0.54 0.00 0.00 174.62 174.12 1abb s GLN 219 N -0.31 0.15 -0.06 3.99 0.74 0.11 -4.76 119.66 119.52 1abb s GLN 219 Ca 0.43 0.79 -0.10 0.00 0.05 0.00 0.00 55.36 56.52 1abb s GLN 219 Cb -0.23 -1.68 0.02 0.00 1.10 0.00 0.00 33.01 32.22 1abb s GLN 219 CO 0.29 -2.99 0.26 0.08 -0.55 0.00 0.00 175.29 172.37 1abb s VAL 220 N -2.75 0.03 0.02 1.34 1.01 -1.26 -0.70 120.40 118.10 1abb s VAL 220 Ca 0.66 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.43 1abb s VAL 220 Cb -0.21 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1abb s VAL 220 CO 0.60 -0.14 -0.13 -0.69 0.00 0.00 0.00 175.10 174.73 1abb s VAL 221 N -0.55 1.06 -0.08 2.92 1.01 -0.31 -4.58 120.40 119.86 1abb s VAL 221 Ca -0.06 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1abb s VAL 221 Cb -0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1abb s VAL 221 CO 0.02 0.12 0.29 -0.76 0.00 0.00 0.00 175.10 174.76 1abb s LEU 222 N -0.79 4.39 -0.41 3.92 1.43 0.12 -1.42 118.68 125.92 1abb s LEU 222 Ca 0.03 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 1abb s LEU 222 Cb -0.07 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1abb s LEU 222 CO 0.00 0.30 0.31 0.00 0.23 0.00 0.00 176.35 177.19 1abb s ALA 223 N -0.67 3.48 -0.34 4.21 0.00 0.74 -0.51 121.76 128.66 1abb s ALA 223 Ca 0.19 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.36 1abb s ALA 223 Cb -0.14 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.09 1abb s ALA 223 CO 0.08 -1.45 0.19 1.41 0.00 0.00 0.00 175.76 175.99 1abb s MET 224 N 1.73 3.15 0.72 0.00 1.75 0.17 -0.16 119.30 126.67 1abb s MET 224 Ca 0.06 -0.86 -0.11 0.00 -1.25 0.00 0.00 55.69 53.53 1abb s MET 224 Cb -0.19 -3.67 0.03 0.00 2.84 0.00 0.00 34.83 33.84 1abb s MET 224 CO 0.10 -0.54 1.07 -1.25 -0.65 0.00 0.00 175.02 173.76 1abb s PRO 225 N 1.60 2.69 -0.21 4.11 0.04 -1.26 -2.08 135.00 139.90 1abb s PRO 225 Ca 0.04 1.01 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 1abb s PRO 225 Cb -0.18 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1abb s PRO 225 CO 0.07 -1.29 0.40 0.71 0.04 0.00 0.00 177.00 176.93 1abb s TYR 226 N -3.00 -0.80 -0.23 0.56 1.51 -1.06 -0.44 117.35 113.89 1abb s TYR 226 Ca 0.59 1.29 -0.11 0.00 -1.01 0.00 0.00 57.07 57.83 1abb s TYR 226 Cb -0.15 0.20 -0.05 0.00 -0.11 0.00 0.00 41.96 41.85 1abb s TYR 226 CO 0.55 -0.56 0.17 -0.51 -1.11 0.00 0.00 175.55 174.10 1abb s ASP 227 N 2.59 6.15 0.00 2.29 1.01 0.61 -2.51 116.67 126.81 1abb s ASP 227 Ca 0.03 0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.49 1abb s ASP 227 Cb -0.13 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 1abb s ASP 227 CO -0.14 0.07 -0.07 -0.89 0.21 0.00 0.00 175.17 174.35 1abb s THR 228 N 0.97 3.59 0.37 -1.27 2.01 -0.45 -0.66 115.64 120.20 1abb s THR 228 Ca 0.08 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1abb s THR 228 Cb -0.13 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 1abb s THR 228 CO 0.04 0.40 0.48 -2.16 -0.69 0.00 0.00 174.62 172.68 1abb s PRO 229 N -1.40 2.93 -0.10 4.92 0.04 -1.26 -1.12 135.00 139.01 1abb s PRO 229 Ca 0.17 -1.16 -0.01 0.00 0.04 0.00 0.00 61.00 60.03 1abb s PRO 229 Cb -0.11 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.74 1abb s PRO 229 CO 0.07 -0.06 -0.00 0.14 0.04 0.00 0.00 177.00 177.18 1abb s VAL 230 N -2.27 0.51 0.03 -0.36 -7.23 0.32 -4.75 120.40 106.64 1abb s VAL 230 Ca 0.48 -0.07 -0.14 0.00 -1.81 0.00 0.00 61.98 60.44 1abb s VAL 230 Cb -0.09 -0.71 -0.06 0.00 0.56 0.00 0.00 36.38 36.09 1abb s VAL 230 CO 0.31 0.19 0.42 -2.16 -0.31 0.00 0.00 175.10 173.54 1abb s PRO 231 N 1.91 3.89 1.19 4.82 0.04 -1.26 -0.14 135.00 145.45 1abb s PRO 231 Ca 0.04 0.37 -0.20 0.00 0.04 0.00 0.00 61.00 61.25 1abb s PRO 231 Cb -0.13 -3.15 0.29 0.00 0.04 0.00 0.00 34.50 31.55 1abb s PRO 231 CO -0.06 0.65 1.16 0.20 0.04 0.00 0.00 177.00 178.99 1abb s GLY 232 N -1.27 1.64 -0.51 0.56 0.00 0.13 -4.76 107.32 103.11 1abb s GLY 232 Ca 0.27 -1.13 -0.27 0.00 0.00 0.00 0.00 44.72 43.59 1abb s GLY 232 CO 0.15 -0.21 1.06 -0.47 0.00 0.00 0.00 173.10 173.63 1abb s TYR 233 N -3.21 2.80 -0.07 1.90 5.04 -1.26 -4.55 117.35 117.99 1abb s TYR 233 Ca 0.73 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1abb s TYR 233 Cb -0.06 -4.27 0.00 0.00 0.35 0.00 0.00 41.96 37.98 1abb s TYR 233 CO 0.55 -1.30 0.00 0.54 -1.34 0.00 0.00 175.55 174.00 1abb n ARG 234 N 7.72 -1.92 -0.16 4.97 3.00 -0.25 -4.68 116.66 125.34 1abb n ARG 234 Ca 0.08 0.04 0.07 0.00 -0.01 0.00 0.00 57.85 58.03 1abb n ARG 234 Cb 0.49 -4.28 0.15 0.00 0.00 0.00 0.00 32.46 28.82 1abb n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1abb n ASN 235 N -0.22 2.88 -0.87 0.55 6.94 -1.26 -4.88 115.26 118.40 1abb n ASN 235 Ca -0.01 -1.88 -0.11 0.00 -0.02 0.00 0.00 54.58 52.56 1abb n ASN 235 Cb 0.25 -0.21 -0.05 0.00 -2.36 0.00 0.00 39.78 37.41 1abb n ASN 235 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1abb n ASN 236 N 0.78 -5.58 -4.73 0.53 3.02 -1.26 0.37 115.26 108.38 1abb n ASN 236 Ca 0.13 0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.60 1abb n ASN 236 Cb 0.44 -4.08 -0.07 0.00 -0.61 0.00 0.00 39.78 35.45 1abb n ASN 236 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1abb s VAL 237 N -2.02 5.34 -0.07 2.41 -7.23 -1.26 -4.64 120.40 112.93 1abb s VAL 237 Ca 0.00 0.43 0.02 0.00 -1.81 0.00 0.00 61.98 60.62 1abb s VAL 237 Cb 0.00 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 33.38 1abb s VAL 237 CO 0.00 0.41 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.38 1abb s VAL 238 N 0.41 1.20 0.46 1.32 1.01 -1.26 0.19 120.40 123.73 1abb s VAL 238 Ca 0.14 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1abb s VAL 238 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1abb s VAL 238 CO 0.02 0.37 0.15 0.20 0.00 0.00 0.00 175.10 175.84 1abb s ASN 239 N 0.60 4.30 -0.41 3.32 0.01 0.81 -4.63 114.94 118.95 1abb s ASN 239 Ca -0.14 -1.29 -0.20 0.00 -0.71 0.00 0.00 52.86 50.52 1abb s ASN 239 Cb -0.16 -0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.44 1abb s ASN 239 CO 0.04 -0.70 0.61 -0.89 -1.51 0.00 0.00 177.10 174.66 1abb s THR 240 N -2.71 4.88 0.07 1.60 2.01 -1.26 -0.52 115.64 119.71 1abb s THR 240 Ca 0.31 0.18 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 1abb s THR 240 Cb 0.03 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 1abb s THR 240 CO 0.17 -0.50 0.79 -0.32 -0.69 0.00 0.00 174.62 174.08 1abb s MET 241 N 2.71 4.53 -0.38 4.92 1.75 -0.27 -3.45 119.30 129.11 1abb s MET 241 Ca 0.22 1.13 0.01 0.00 -1.25 0.00 0.00 55.69 55.80 1abb s MET 241 Cb -0.14 -3.35 0.12 0.00 2.84 0.00 0.00 34.83 34.29 1abb s MET 241 CO 0.17 0.31 0.16 0.50 -0.65 0.00 0.00 175.02 175.51 1abb s ARG 242 N -0.18 1.14 0.24 4.11 6.06 -0.91 -1.34 118.95 128.07 1abb s ARG 242 Ca 0.39 -1.67 -0.16 0.00 -2.50 0.00 0.00 55.73 51.79 1abb s ARG 242 Cb -0.21 -2.41 -0.08 0.00 0.06 0.00 0.00 34.95 32.31 1abb s ARG 242 CO 0.24 -1.06 0.68 -0.51 -2.50 0.00 0.00 175.30 172.16 1abb s LEU 243 N 0.88 4.24 0.14 -0.88 2.01 -1.05 -3.43 118.68 120.60 1abb s LEU 243 Ca 0.14 1.28 0.03 0.00 0.01 0.00 0.00 54.13 55.58 1abb s LEU 243 Cb -0.21 -3.69 -0.04 0.00 0.01 0.00 0.00 46.19 42.27 1abb s LEU 243 CO -0.11 -0.03 0.25 0.26 1.01 0.00 0.00 176.35 177.73 1abb s TRP 244 N -1.67 3.44 -0.00 0.29 0.52 0.36 -2.56 118.94 119.31 1abb s TRP 244 Ca 0.46 0.11 0.04 0.00 0.02 0.00 0.00 56.10 56.73 1abb s TRP 244 Cb -0.14 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1abb s TRP 244 CO 0.20 0.52 -0.12 0.45 0.02 0.00 0.00 176.95 178.02 1abb s SER 245 N -3.12 1.41 -0.15 2.95 0.15 -0.88 -0.39 113.70 113.66 1abb s SER 245 Ca 0.34 -0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.55 1abb s SER 245 Cb -0.11 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1abb s SER 245 CO 0.28 0.13 0.54 0.00 1.20 0.00 0.00 173.24 175.39 1abb s ALA 246 N -0.36 3.49 -0.06 5.45 0.00 -1.25 0.45 121.76 129.48 1abb s ALA 246 Ca 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1abb s ALA 246 Cb -0.05 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.30 1abb s ALA 246 CO -0.00 -0.24 -0.01 0.15 0.00 0.00 0.00 175.76 175.65 1abb s LYS 247 N 1.18 0.66 0.62 0.00 1.02 0.33 -4.62 119.74 118.93 1abb s LYS 247 Ca 0.27 0.03 -0.18 0.00 0.02 0.00 0.00 55.97 56.11 1abb s LYS 247 Cb -0.16 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.24 1abb s LYS 247 CO 0.11 -0.21 1.12 0.00 -0.92 0.00 0.00 175.35 175.45 1abb n ALA 248 N 4.68 0.66 -1.76 5.17 0.00 -1.26 0.14 120.51 128.14 1abb n ALA 248 Ca -0.15 0.01 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 1abb n ALA 248 Cb 0.50 -2.21 0.02 0.00 0.00 0.00 0.00 19.45 17.76 1abb n ALA 248 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1abb n PRO 249 N -1.41 2.14 -2.10 0.00 -0.02 -1.26 -4.80 135.00 127.55 1abb n PRO 249 Ca 0.15 0.77 -0.19 0.00 -2.02 0.00 0.00 63.50 62.20 1abb n PRO 249 Cb 0.48 -2.62 0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1abb n PRO 249 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1abb n ASN 250 N -0.34 4.26 0.16 2.55 5.03 -1.26 -4.55 115.26 121.11 1abb n ASN 250 Ca 0.06 -3.47 0.01 0.00 0.87 0.00 0.00 54.58 52.06 1abb n ASN 250 Cb 0.42 -0.37 0.25 0.00 -1.02 0.00 0.00 39.78 39.06 1abb n ASN 250 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1abb h ASP 251 N 2.20 0.00 -0.17 6.41 3.32 -1.92 -3.43 116.42 122.83 1abb h ASP 251 Ca 0.27 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1abb h ASP 251 Cb 1.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 1abb h ASP 251 CO 0.64 0.51 0.34 0.49 -1.72 0.00 0.00 179.24 179.50 1abb n PHE 252 N -3.83 0.82 0.13 4.55 3.72 -1.25 -2.18 117.46 119.42 1abb n PHE 252 Ca -0.01 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1abb n PHE 252 Cb 0.54 -2.16 0.00 0.00 -0.94 0.00 0.00 39.48 36.92 1abb n PHE 252 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1abb n ASN 253 N 16.29 -2.42 0.00 4.37 0.23 -1.26 -4.97 115.26 127.50 1abb n ASN 253 Ca 0.42 0.59 0.00 0.00 -0.53 0.00 0.00 54.58 55.07 1abb n ASN 253 Cb 0.42 2.43 0.00 0.00 -2.08 0.00 0.00 39.78 40.54 1abb n ASN 253 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1abb n LEU 254 N -3.05 0.01 -4.64 -4.53 4.32 -1.21 -3.59 117.00 104.31 1abb n LEU 254 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 1abb n LEU 254 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1abb n LEU 254 CO 0.00 -0.41 1.41 -0.75 -1.22 0.00 0.00 177.39 176.42 1abb s LYS 255 N -1.85 3.93 0.00 3.23 2.36 -0.93 -2.08 119.74 124.40 1abb s LYS 255 Ca 0.00 1.94 0.00 0.00 -2.55 0.00 0.00 55.97 55.36 1abb s LYS 255 Cb 0.00 -4.04 0.00 0.00 -1.05 0.00 0.00 37.83 32.74 1abb s LYS 255 CO 0.00 -1.15 0.00 -3.47 1.55 0.00 0.00 175.35 172.28 1abb n ASP 256 N 8.08 0.00 -2.80 1.43 2.03 -1.26 -3.88 116.55 120.15 1abb n ASP 256 Ca 0.19 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.31 1abb n ASP 256 Cb 0.44 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.89 1abb n ASP 256 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1abb n PHE 257 N 0.00 -2.09 -0.05 -0.67 3.01 -0.88 -4.90 117.46 111.88 1abb n PHE 257 Ca 0.00 0.70 -0.06 0.00 1.01 0.00 0.00 57.45 59.10 1abb n PHE 257 Cb 0.00 -4.06 -0.06 0.00 -0.01 0.00 0.00 39.48 35.35 1abb n PHE 257 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1abb h ASN 258 N -1.87 -0.01 0.00 4.37 7.08 -1.83 -3.50 115.58 119.82 1abb h ASN 258 Ca -0.44 -0.42 0.00 0.00 -3.08 0.00 0.00 56.30 52.36 1abb h ASN 258 Cb 1.29 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.53 1abb h ASN 258 CO 0.44 0.69 0.00 1.33 -2.08 0.00 0.00 177.43 177.81 1abb n VAL 259 N -4.72 0.00 0.00 6.14 0.24 -1.26 -4.41 118.33 114.32 1abb n VAL 259 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1abb n VAL 259 Cb 0.21 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1abb n VAL 259 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1abb n GLY 260 N 2.92 1.78 0.38 7.63 0.00 -1.24 -3.51 105.19 113.16 1abb n GLY 260 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1abb n GLY 260 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1abb h GLY 261 N 0.00 -0.85 -6.33 -0.02 0.00 -1.94 -3.43 103.07 90.51 1abb h GLY 261 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 47.33 47.58 1abb h GLY 261 CO 0.00 -0.30 -0.47 -0.19 0.00 0.00 0.00 176.54 175.58 1abb s TYR 262 N -6.00 -0.72 -2.00 5.60 2.02 -1.23 -4.96 117.35 110.07 1abb s TYR 262 Ca -0.17 1.01 0.11 0.00 -0.37 0.00 0.00 57.07 57.66 1abb s TYR 262 Cb 0.06 0.07 0.68 0.00 -0.40 0.00 0.00 41.96 42.36 1abb s TYR 262 CO 0.63 -0.59 1.42 0.44 -1.57 0.00 0.00 175.55 175.88 1abb n ILE 263 N 5.37 0.00 0.23 2.71 -5.35 -1.26 -4.00 119.36 117.05 1abb n ILE 263 Ca -0.06 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.53 1abb n ILE 263 Cb 0.50 -0.20 0.56 0.00 -1.74 0.00 0.00 39.64 38.76 1abb n ILE 263 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1abb h GLN 264 N 0.00 0.00 0.00 6.28 3.07 -2.00 0.24 115.11 122.70 1abb h GLN 264 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1abb h GLN 264 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1abb h GLN 264 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.92 1abb n ALA 265 N -1.71 1.82 0.29 0.06 0.00 -1.26 -2.06 120.51 117.66 1abb n ALA 265 Ca -0.01 -0.04 0.17 0.00 0.00 0.00 0.00 53.44 53.56 1abb n ALA 265 Cb 0.30 -1.09 0.90 0.00 0.00 0.00 0.00 19.45 19.56 1abb n ALA 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1abb h VAL 266 N 0.00 0.32 -0.31 0.00 2.07 -0.86 0.84 116.25 118.31 1abb h VAL 266 Ca 0.00 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1abb h VAL 266 Cb 0.00 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1abb h VAL 266 CO 0.00 0.05 -0.29 -0.07 0.02 0.00 0.00 177.57 177.28 1abb h LEU 267 N 0.00 0.67 -0.34 2.57 3.38 -1.67 -0.67 115.31 119.25 1abb h LEU 267 Ca -0.00 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1abb h LEU 267 Cb 0.20 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1abb h LEU 267 CO 0.01 0.93 0.07 -0.78 0.09 0.00 0.00 178.44 178.75 1abb h ASP 268 N 0.56 0.02 0.00 -0.43 1.82 -1.10 -0.58 116.42 116.72 1abb h ASP 268 Ca 0.07 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1abb h ASP 268 Cb 0.78 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1abb h ASP 268 CO 0.06 0.05 0.00 -1.14 -1.61 0.00 0.00 179.24 176.60 1abb n ARG 269 N -5.09 0.00 -0.17 0.28 0.00 -0.95 -1.63 116.66 109.11 1abb n ARG 269 Ca 0.01 0.59 -0.10 0.00 -0.00 0.00 0.00 57.85 58.36 1abb n ARG 269 Cb 0.15 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.20 1abb n ARG 269 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1abb h ASN 270 N 0.00 0.81 -0.93 6.15 2.35 -1.04 -2.63 115.58 120.29 1abb h ASN 270 Ca 0.00 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1abb h ASN 270 Cb 0.00 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.09 1abb h ASN 270 CO 0.00 0.90 0.60 -0.07 -1.65 0.00 0.00 177.43 177.21 1abb h LEU 271 N 0.69 0.92 0.14 1.61 3.38 -1.14 -0.83 115.31 120.09 1abb h LEU 271 Ca 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1abb h LEU 271 Cb 0.47 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1abb h LEU 271 CO 0.02 0.58 -0.07 0.00 0.09 0.00 0.00 178.44 179.06 1abb h ALA 272 N 1.51 -1.04 -0.69 1.53 0.00 -1.05 -2.76 119.26 116.76 1abb h ALA 272 Ca 0.41 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.48 1abb h ALA 272 Cb 0.24 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1abb h ALA 272 CO -0.16 -1.03 0.81 0.93 0.00 0.00 0.00 179.25 179.80 1abb h GLU 273 N -0.19 0.00 -0.94 0.00 5.08 -1.08 0.31 114.58 117.77 1abb h GLU 273 Ca -0.02 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.85 1abb h GLU 273 Cb 0.14 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.10 1abb h GLU 273 CO 0.03 0.00 0.59 0.27 -1.00 0.00 0.00 179.01 178.90 1abb n ASN 274 N -3.45 3.81 -0.07 1.42 2.04 -0.36 -3.33 115.26 115.31 1abb n ASN 274 Ca 0.15 -3.64 -0.15 0.00 -0.44 0.00 0.00 54.58 50.50 1abb n ASN 274 Cb 1.05 -0.83 -0.05 0.00 -2.53 0.00 0.00 39.78 37.42 1abb n ASN 274 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 1abb h ILE 275 N 1.00 1.29 -0.20 1.53 2.04 -0.41 -3.20 117.51 119.57 1abb h ILE 275 Ca 0.60 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1abb h ILE 275 Cb 2.66 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 40.47 1abb h ILE 275 CO 1.06 0.54 0.00 -0.24 0.00 0.00 0.00 178.15 179.51 1abb n SER 276 N -4.11 2.67 0.05 1.72 2.88 -1.21 -4.52 113.62 111.10 1abb n SER 276 Ca -0.05 -1.87 -0.15 0.00 -1.33 0.00 0.00 58.87 55.47 1abb n SER 276 Cb 0.59 -0.12 -0.14 0.00 -0.75 0.00 0.00 64.21 63.79 1abb n SER 276 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1abb h ARG 277 N 3.72 0.20 -4.40 -1.46 2.43 -1.61 -3.16 114.38 110.10 1abb h ARG 277 Ca 0.00 -0.34 -0.34 0.00 -0.81 0.00 0.00 59.98 58.49 1abb h ARG 277 Cb 0.81 0.13 -0.28 0.00 -0.42 0.00 0.00 29.97 30.20 1abb h ARG 277 CO 0.00 1.04 -0.76 0.54 -1.51 0.00 0.00 179.97 179.28 1abb s VAL 278 N -2.62 0.48 0.61 0.20 0.11 -1.26 -2.70 120.40 115.22 1abb s VAL 278 Ca -0.08 -0.26 -0.14 0.00 -2.93 0.00 0.00 61.98 58.58 1abb s VAL 278 Cb 0.07 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1abb s VAL 278 CO 0.84 0.14 1.03 -0.22 -3.33 0.00 0.00 175.10 173.57 1abb s LEU 279 N -0.14 3.37 -0.14 2.54 0.20 -1.03 -5.00 118.68 118.48 1abb s LEU 279 Ca 0.02 1.62 -0.03 0.00 0.69 0.00 0.00 54.13 56.43 1abb s LEU 279 Cb -0.02 -4.50 -0.02 0.00 -0.43 0.00 0.00 46.19 41.21 1abb s LEU 279 CO -0.00 -1.04 -0.06 -0.31 -0.29 0.00 0.00 176.35 174.65 1abb s TYR 280 N -2.82 2.97 0.00 5.38 2.02 -1.26 -4.89 117.35 118.75 1abb s TYR 280 Ca 0.59 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 1abb s TYR 280 Cb -0.13 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 1abb s TYR 280 CO 0.44 -0.04 0.00 -0.35 -1.57 0.00 0.00 175.55 174.03 1abb n PRO 281 N 3.42 0.00 0.00 -1.71 -0.04 -1.26 -5.13 135.00 130.28 1abb n PRO 281 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1abb n PRO 281 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1abb n PRO 281 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1abb n ASN 282 N 0.00 0.00 -0.17 3.54 0.23 -1.26 -4.99 115.26 112.61 1abb n ASN 282 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1abb n ASN 282 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1abb n ASN 282 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1abb n GLU 287 N 0.00 0.00 -2.39 -3.83 -0.00 -1.26 -5.67 120.64 107.48 1abb n GLU 287 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.73 1abb n GLU 287 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1abb n GLU 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1abb n GLY 288 N 0.00 3.08 3.84 -1.84 0.00 -1.26 -4.97 105.19 104.03 1abb n GLY 288 Ca 0.00 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 1abb n GLY 288 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1abb s LYS 289 N 3.82 3.79 0.52 1.61 2.20 -1.26 -4.97 119.74 125.46 1abb s LYS 289 Ca 0.52 0.14 0.27 0.00 -0.36 0.00 0.00 55.97 56.54 1abb s LYS 289 Cb 0.06 -3.24 1.44 0.00 -1.51 0.00 0.00 37.83 34.58 1abb s LYS 289 CO 0.04 0.65 2.07 1.49 -0.36 0.00 0.00 175.35 179.23 1abb h GLU 290 N 5.15 0.00 -0.10 4.03 4.81 -1.99 -2.66 114.58 123.82 1abb h GLU 290 Ca -0.51 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1abb h GLU 290 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1abb h GLU 290 CO 0.62 0.12 -0.09 1.25 -0.73 0.00 0.00 179.01 180.18 1abb h LEU 291 N 0.00 0.25 0.51 1.64 6.46 -1.97 0.27 115.31 122.47 1abb h LEU 291 Ca -0.00 -0.48 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 1abb h LEU 291 Cb 0.34 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1abb h LEU 291 CO 0.02 0.68 -0.27 0.03 -0.62 0.00 0.00 178.44 178.27 1abb h ARG 292 N -0.17 -0.70 -0.70 1.25 2.47 -1.86 0.37 114.38 115.04 1abb h ARG 292 Ca 0.02 0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.82 1abb h ARG 292 Cb 0.61 0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.05 1abb h ARG 292 CO 0.02 -0.47 0.46 1.25 0.56 0.00 0.00 179.97 181.80 1abb h LEU 293 N -0.73 0.71 -0.41 3.04 5.85 -1.59 0.25 115.31 122.43 1abb h LEU 293 Ca -0.06 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1abb h LEU 293 Cb 0.58 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1abb h LEU 293 CO 0.09 0.49 0.27 0.11 -0.34 0.00 0.00 178.44 179.06 1abb h LYS 294 N 0.83 0.54 -0.41 1.25 1.57 -0.36 -1.59 116.57 118.39 1abb h LYS 294 Ca 0.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1abb h LYS 294 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1abb h LYS 294 CO -0.08 0.36 0.21 1.96 -0.57 0.00 0.00 179.45 181.32 1abb h GLN 295 N 0.55 0.59 -0.55 3.15 4.20 0.28 -2.05 115.11 121.27 1abb h GLN 295 Ca 0.15 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1abb h GLN 295 Cb -0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1abb h GLN 295 CO -0.04 0.50 0.06 0.93 -0.67 0.00 0.00 178.83 179.61 1abb h GLU 296 N 0.53 0.94 -0.30 1.46 5.08 -0.40 -0.53 114.58 121.36 1abb h GLU 296 Ca 0.14 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1abb h GLU 296 Cb 0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1abb h GLU 296 CO -0.02 0.92 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.91 1abb h TYR 297 N 0.83 0.52 0.59 4.33 3.20 -1.21 -2.92 116.97 122.31 1abb h TYR 297 Ca 0.16 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1abb h TYR 297 Cb 0.46 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1abb h TYR 297 CO 0.03 0.57 -0.39 0.35 -1.64 0.00 0.00 178.16 177.08 1abb h PHE 298 N 0.46 -1.04 0.00 -3.82 3.57 -0.37 -1.54 116.94 114.20 1abb h PHE 298 Ca 0.09 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1abb h PHE 298 Cb 0.43 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1abb h PHE 298 CO 0.01 -0.57 -0.06 -0.24 -2.23 0.00 0.00 178.31 175.23 1abb h VAL 299 N -0.92 0.53 0.15 1.41 3.04 -1.39 -1.95 116.25 117.12 1abb h VAL 299 Ca -0.08 -0.27 -0.29 0.00 -1.01 0.00 0.00 66.70 65.04 1abb h VAL 299 Cb 0.75 1.18 0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1abb h VAL 299 CO 0.06 0.06 -1.35 0.58 -1.01 0.00 0.00 177.57 175.91 1abb h VAL 300 N 0.00 1.38 -0.00 1.51 2.07 -1.45 -3.20 116.25 116.56 1abb h VAL 300 Ca -0.00 -2.94 -0.17 0.00 0.82 0.00 0.00 66.70 64.40 1abb h VAL 300 Cb 0.17 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1abb h VAL 300 CO 0.01 0.86 -0.80 0.00 0.02 0.00 0.00 177.57 177.66 1abb h ALA 301 N 0.49 0.66 0.04 1.67 0.00 -0.50 -2.58 119.26 119.04 1abb h ALA 301 Ca -0.18 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.03 1abb h ALA 301 Cb 2.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1abb h ALA 301 CO 0.20 0.93 -0.02 0.00 0.00 0.00 0.00 179.25 180.36 1abb h ALA 302 N 1.13 -0.06 -0.86 0.00 0.00 -1.63 -3.18 119.26 114.65 1abb h ALA 302 Ca -0.02 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.17 1abb h ALA 302 Cb 1.40 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 19.05 1abb h ALA 302 CO 0.11 -0.06 0.23 2.41 0.00 0.00 0.00 179.25 181.95 1abb n THR 303 N -4.54 -0.36 0.22 0.00 -1.04 -1.21 0.33 114.28 107.68 1abb n THR 303 Ca -0.01 1.82 0.11 0.00 -2.04 0.00 0.00 64.05 63.93 1abb n THR 303 Cb 0.02 -2.80 0.41 0.00 -1.82 0.00 0.00 70.33 66.13 1abb n THR 303 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1abb h LEU 304 N 0.00 0.00 -0.06 -4.42 4.07 -1.55 0.55 115.31 113.90 1abb h LEU 304 Ca 0.62 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 58.38 1abb h LEU 304 Cb 1.49 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.21 1abb h LEU 304 CO -0.74 0.19 -0.98 1.56 -1.08 0.00 0.00 178.44 177.39 1abb h GLN 305 N 0.00 0.03 -0.01 1.13 4.20 -0.11 -2.79 115.11 117.55 1abb h GLN 305 Ca -0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1abb h GLN 305 Cb 0.82 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1abb h GLN 305 CO 0.03 0.98 -0.00 0.22 -0.67 0.00 0.00 178.83 179.39 1abb h ASP 306 N 0.01 0.03 -0.52 1.46 1.82 -1.03 -1.75 116.42 116.43 1abb h ASP 306 Ca -0.02 -0.39 0.01 0.00 -0.39 0.00 0.00 57.03 56.23 1abb h ASP 306 Cb 1.72 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 41.70 1abb h ASP 306 CO 0.13 0.41 0.34 0.40 -1.61 0.00 0.00 179.24 178.92 1abb h ILE 307 N -0.36 1.13 -0.26 2.25 2.04 -0.97 0.14 117.51 121.47 1abb h ILE 307 Ca 0.00 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 1abb h ILE 307 Cb 0.40 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1abb h ILE 307 CO 0.00 0.13 -0.20 0.40 0.00 0.00 0.00 178.15 178.48 1abb h ILE 308 N 0.70 1.25 0.50 -0.67 2.04 -1.54 -2.31 117.51 117.48 1abb h ILE 308 Ca 0.19 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1abb h ILE 308 Cb -0.07 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1abb h ILE 308 CO -0.05 0.37 -0.24 -0.09 0.00 0.00 0.00 178.15 178.14 1abb h ARG 309 N 0.43 -0.65 -0.94 2.37 2.43 0.18 -0.62 114.38 117.58 1abb h ARG 309 Ca 0.07 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.47 1abb h ARG 309 Cb 0.59 0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 30.18 1abb h ARG 309 CO 0.04 -0.35 0.53 0.00 -1.51 0.00 0.00 179.97 178.68 1abb h ARG 310 N -1.01 0.63 -0.04 0.20 3.08 -1.30 0.23 114.38 116.17 1abb h ARG 310 Ca -0.07 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.98 1abb h ARG 310 Cb 0.61 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1abb h ARG 310 CO 0.11 0.42 -0.19 0.35 -1.07 0.00 0.00 179.97 179.59 1abb h PHE 311 N 0.65 -0.50 -0.57 3.04 3.57 -1.09 0.44 116.94 122.48 1abb h PHE 311 Ca 0.55 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 62.03 1abb h PHE 311 Cb 0.89 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 1abb h PHE 311 CO -0.05 -0.27 0.17 0.87 -2.23 0.00 0.00 178.31 176.80 1abb h LYS 312 N -0.29 0.86 0.00 1.11 1.57 0.54 -3.38 116.57 116.98 1abb h LYS 312 Ca 0.07 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1abb h LYS 312 Cb 0.38 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1abb h LYS 312 CO -0.21 0.74 0.00 0.43 -0.57 0.00 0.00 179.45 179.85 1abb n SER 313 N -4.29 0.00 -0.45 0.86 7.64 0.64 -0.26 113.62 117.76 1abb n SER 313 Ca 0.04 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1abb n SER 313 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1abb n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1abb n SER 314 N -0.09 -0.09 0.00 6.43 7.64 0.15 -1.09 113.62 126.57 1abb n SER 314 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1abb n SER 314 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1abb n SER 314 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1abb n LYS 315 N 0.38 0.00 0.00 1.43 4.01 -1.26 -4.58 118.16 118.14 1abb n LYS 315 Ca 0.00 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 57.94 1abb n LYS 315 Cb 0.02 -2.91 0.65 0.00 -0.51 0.00 0.00 35.03 32.29 1abb n LYS 315 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1abb n PHE 316 N -1.36 0.00 -0.15 2.13 -0.00 -0.25 -1.01 117.46 116.83 1abb n PHE 316 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.41 1abb n PHE 316 Cb 0.00 -0.42 0.05 0.00 -0.00 0.00 0.00 39.48 39.11 1abb n PHE 316 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1abb h GLY 317 N 4.85 0.61 0.52 7.13 0.00 0.78 -2.90 103.07 114.06 1abb h GLY 317 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1abb h GLY 317 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.45 1abb n ARG 319 N -5.00 2.88 -0.03 0.00 0.00 -0.31 -4.54 116.66 109.65 1abb n ARG 319 Ca -0.09 -2.42 -0.12 0.00 -0.00 0.00 0.00 57.85 55.22 1abb n ARG 319 Cb 0.26 -3.13 -0.08 0.00 0.00 0.00 0.00 32.46 29.51 1abb n ARG 319 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1abb h ASP 320 N 5.98 0.19 0.00 6.15 1.82 -1.59 -3.43 116.42 125.54 1abb h ASP 320 Ca 0.62 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1abb h ASP 320 Cb 0.55 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1abb h ASP 320 CO 1.86 0.53 0.00 -2.65 -1.61 0.00 0.00 179.24 177.37 1abb n PRO 321 N -4.77 0.00 -3.79 0.28 -0.02 -1.26 -2.70 135.00 122.75 1abb n PRO 321 Ca -0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.12 1abb n PRO 321 Cb 0.24 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.57 1abb n PRO 321 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1abb s VAL 322 N -0.61 0.99 -0.52 -1.45 0.11 -1.26 -4.89 120.40 112.77 1abb s VAL 322 Ca 0.00 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 1abb s VAL 322 Cb 0.00 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.24 1abb s VAL 322 CO 0.00 -0.47 0.00 0.54 -3.33 0.00 0.00 175.10 171.84 1abb n ARG 323 N 4.83 -1.87 -3.35 1.54 5.12 -1.26 0.23 116.66 121.90 1abb n ARG 323 Ca -0.05 0.66 -0.14 0.00 -1.93 0.00 0.00 57.85 56.39 1abb n ARG 323 Cb 0.43 -5.10 0.01 0.00 -1.16 0.00 0.00 32.46 26.64 1abb n ARG 323 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1abb n THR 324 N -2.05 -7.15 -2.46 0.55 -2.24 -1.25 -4.75 114.28 94.93 1abb n THR 324 Ca -0.05 0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 1abb n THR 324 Cb 0.53 -5.17 -0.04 0.00 -2.10 0.00 0.00 70.33 63.56 1abb n THR 324 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1abb s ASN 325 N -2.79 7.00 0.56 3.42 3.84 0.64 -4.88 114.94 122.73 1abb s ASN 325 Ca 0.07 2.23 0.29 0.00 0.21 0.00 0.00 52.86 55.66 1abb s ASN 325 Cb -0.01 -2.61 1.64 0.00 -0.55 0.00 0.00 41.25 39.72 1abb s ASN 325 CO 0.82 -0.33 2.16 -0.26 -2.79 0.00 0.00 177.10 176.70 1abb h PHE 326 N 3.26 0.00 -0.72 0.43 0.04 -1.85 0.57 116.94 118.67 1abb h PHE 326 Ca -0.47 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.45 1abb h PHE 326 Cb 1.22 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.25 1abb h PHE 326 CO 0.58 0.07 0.07 -0.44 -0.60 0.00 0.00 178.31 177.99 1abb h ASP 327 N 0.00 -0.19 0.95 2.17 3.32 -1.89 0.42 116.42 121.19 1abb h ASP 327 Ca -0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1abb h ASP 327 Cb 0.19 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1abb h ASP 327 CO 0.01 -0.11 -0.10 0.00 -1.72 0.00 0.00 179.24 177.32 1abb n ALA 328 N -2.80 2.54 -0.04 3.45 0.00 0.17 -4.07 120.51 119.77 1abb n ALA 328 Ca 0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1abb n ALA 328 Cb 0.45 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1abb n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1abb h PHE 329 N 0.00 0.12 0.00 0.00 3.04 0.13 0.29 116.94 120.52 1abb h PHE 329 Ca 0.00 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1abb h PHE 329 Cb 0.52 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.01 1abb h PHE 329 CO 0.00 0.06 -0.01 -1.00 -2.02 0.00 0.00 178.31 175.34 1abb h PRO 330 N 0.16 0.00 0.00 6.41 0.13 -1.71 -0.93 132.00 136.06 1abb h PRO 330 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 1abb h PRO 330 Cb 0.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1abb h PRO 330 CO -0.09 0.01 -0.49 -0.44 -0.23 0.00 0.00 178.00 176.76 1abb h ASP 331 N 0.00 0.00 0.27 1.44 3.32 -0.72 -3.36 116.42 117.37 1abb h ASP 331 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1abb h ASP 331 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1abb h ASP 331 CO 0.00 0.49 -1.72 0.29 -1.72 0.00 0.00 179.24 176.58 1abb n LYS 332 N -3.24 0.64 -3.93 3.56 4.01 -0.13 -4.53 118.16 114.54 1abb n LYS 332 Ca 0.02 -0.11 -0.10 0.00 -0.51 0.00 0.00 58.31 57.60 1abb n LYS 332 Cb 0.72 -1.60 -0.12 0.00 -0.51 0.00 0.00 35.03 33.52 1abb n LYS 332 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1abb s VAL 333 N -3.47 0.07 -0.09 -0.18 1.01 -0.45 -0.72 120.40 116.57 1abb s VAL 333 Ca -0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1abb s VAL 333 Cb 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.33 1abb s VAL 333 CO 0.88 -0.32 0.01 0.00 0.00 0.00 0.00 175.10 175.67 1abb s ALA 334 N -0.96 0.69 -0.17 5.51 0.00 -0.63 -4.59 121.76 121.61 1abb s ALA 334 Ca -0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 1abb s ALA 334 Cb -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1abb s ALA 334 CO -0.00 -0.58 0.07 0.42 0.00 0.00 0.00 175.76 175.67 1abb s ILE 335 N 1.98 4.92 -0.45 0.00 1.01 -0.51 -0.41 121.20 127.73 1abb s ILE 335 Ca 0.04 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 1abb s ILE 335 Cb -0.13 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.20 1abb s ILE 335 CO -0.06 0.48 0.35 -1.58 0.00 0.00 0.00 174.94 174.13 1abb s GLN 336 N 0.17 2.91 -0.48 2.79 -0.44 -0.87 -2.49 119.66 121.25 1abb s GLN 336 Ca 0.05 -1.29 -0.27 0.00 -2.50 0.00 0.00 55.36 51.35 1abb s GLN 336 Cb -0.12 -4.03 -0.02 0.00 -1.64 0.00 0.00 33.01 27.20 1abb s GLN 336 CO 0.00 -0.95 1.78 -0.51 0.50 0.00 0.00 175.29 176.11 1abb s LEU 337 N 1.61 3.41 -0.63 3.68 1.02 0.48 -2.45 118.68 125.80 1abb s LEU 337 Ca 0.04 0.75 -0.28 0.00 0.02 0.00 0.00 54.13 54.66 1abb s LEU 337 Cb -0.23 -3.02 0.03 0.00 0.02 0.00 0.00 46.19 42.99 1abb s LEU 337 CO 0.07 -2.01 1.21 0.21 0.02 0.00 0.00 176.35 175.85 1abb s ASN 338 N 6.79 6.36 0.17 2.29 2.47 -0.80 -2.42 114.94 129.81 1abb s ASN 338 Ca 0.71 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.92 1abb s ASN 338 Cb -0.16 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1abb s ASN 338 CO 0.27 -1.58 0.00 -0.67 -3.72 0.00 0.00 177.10 171.40 1abb n ASP 339 N 8.69 -0.82 -0.37 -4.21 -0.08 -1.10 -4.18 116.55 114.50 1abb n ASP 339 Ca 0.07 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.49 1abb n ASP 339 Cb 0.49 0.00 0.53 0.00 2.34 0.00 0.00 41.12 44.48 1abb n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1abb n THR 340 N -0.21 0.00 -0.06 5.18 -2.24 -1.26 -4.20 114.28 111.49 1abb n THR 340 Ca 0.00 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1abb n THR 340 Cb 0.00 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1abb n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1abb h HIS 341 N 1.79 0.77 0.00 4.78 3.86 -1.97 -2.46 115.15 121.93 1abb h HIS 341 Ca 0.00 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1abb h HIS 341 Cb 0.46 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1abb h HIS 341 CO 0.00 1.04 0.00 -2.30 0.86 0.00 0.00 177.93 177.53 1abb n PRO 342 N -4.25 0.00 -0.19 2.45 -0.02 -1.26 -4.55 135.00 127.18 1abb n PRO 342 Ca -0.06 0.45 0.17 0.00 -2.02 0.00 0.00 63.50 62.04 1abb n PRO 342 Cb 0.53 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 33.03 1abb n PRO 342 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1abb h SER 343 N 0.00 0.38 0.05 2.55 4.64 -1.69 0.01 113.55 119.49 1abb h SER 343 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1abb h SER 343 Cb 0.01 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1abb h SER 343 CO 0.00 0.18 0.00 0.18 -0.87 0.00 0.00 176.83 176.32 1abb n LEU 344 N -4.48 0.00 -0.34 5.97 4.77 -1.26 -1.96 117.00 119.70 1abb n LEU 344 Ca 0.16 0.28 0.30 0.00 -0.03 0.00 0.00 56.01 56.72 1abb n LEU 344 Cb 0.60 -0.28 0.63 0.00 -2.33 0.00 0.00 43.42 42.04 1abb n LEU 344 CO 0.32 -0.26 1.27 0.00 -1.33 0.00 0.00 177.39 177.40 1abb h ALA 345 N 2.13 2.68 0.02 -1.18 0.00 -1.34 0.29 119.26 121.86 1abb h ALA 345 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1abb h ALA 345 Cb 0.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1abb h ALA 345 CO 0.00 -1.08 -0.01 0.82 0.00 0.00 0.00 179.25 178.98 1abb h ILE 346 N 0.19 0.00 0.00 0.00 2.04 -1.66 0.51 117.51 118.60 1abb h ILE 346 Ca 0.60 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.37 1abb h ILE 346 Cb 1.95 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1abb h ILE 346 CO -0.18 0.00 0.08 1.55 0.00 0.00 0.00 178.15 179.60 1abb h PRO 347 N -0.13 0.00 0.07 2.37 0.13 -1.74 -0.53 132.00 132.17 1abb h PRO 347 Ca -0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1abb h PRO 347 Cb 0.02 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.17 1abb h PRO 347 CO 0.01 0.00 -0.50 1.49 -0.23 0.00 0.00 178.00 178.76 1abb h GLU 348 N 0.00 0.22 -0.78 0.86 4.57 -0.48 -0.07 114.58 118.89 1abb h GLU 348 Ca 0.00 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1abb h GLU 348 Cb 0.16 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 1abb h GLU 348 CO 0.00 1.12 0.51 1.25 -1.18 0.00 0.00 179.01 180.71 1abb h LEU 349 N -0.52 0.77 -1.34 1.64 5.85 -0.75 0.32 115.31 121.27 1abb h LEU 349 Ca -0.08 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1abb h LEU 349 Cb 1.35 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1abb h LEU 349 CO 0.10 0.51 -0.22 0.24 -0.34 0.00 0.00 178.44 178.73 1abb h MET 350 N 0.88 0.00 0.21 1.25 2.86 -0.99 0.12 114.93 119.26 1abb h MET 350 Ca 0.33 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.66 1abb h MET 350 Cb 0.17 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.86 1abb h MET 350 CO -0.11 0.22 -1.41 -0.09 1.06 0.00 0.00 176.91 176.57 1abb h ARG 351 N 0.00 0.45 -0.32 1.72 2.43 0.14 -2.57 114.38 116.24 1abb h ARG 351 Ca -0.00 -0.78 -0.03 0.00 -0.81 0.00 0.00 59.98 58.36 1abb h ARG 351 Cb 0.64 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1abb h ARG 351 CO 0.03 1.37 0.09 0.28 -1.51 0.00 0.00 179.97 180.23 1abb h VAL 352 N 0.02 1.21 -0.50 0.20 2.07 -0.31 -1.23 116.25 117.71 1abb h VAL 352 Ca -0.26 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 1abb h VAL 352 Cb 2.04 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1abb h VAL 352 CO 0.22 0.23 -0.16 -0.07 0.02 0.00 0.00 177.57 177.82 1abb h LEU 353 N 0.36 1.00 0.00 2.57 3.38 -0.86 -1.73 115.31 120.03 1abb h LEU 353 Ca 0.10 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1abb h LEU 353 Cb 0.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1abb h LEU 353 CO -0.00 1.14 -0.01 0.58 0.09 0.00 0.00 178.44 180.24 1abb h VAL 354 N 0.84 0.00 0.01 1.22 2.07 -1.43 -1.20 116.25 117.75 1abb h VAL 354 Ca 0.12 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1abb h VAL 354 Cb 0.73 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1abb h VAL 354 CO 0.06 0.00 -0.00 0.44 0.02 0.00 0.00 177.57 178.08 1abb h ASP 355 N -0.76 -0.01 0.13 0.57 3.32 -1.37 -2.82 116.42 115.49 1abb h ASP 355 Ca 0.00 -0.74 -0.01 0.00 0.02 0.00 0.00 57.03 56.30 1abb h ASP 355 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1abb h ASP 355 CO 0.00 0.75 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.14 1abb h LEU 356 N -0.77 -0.15 0.00 1.55 4.07 -1.38 -3.40 115.31 115.24 1abb h LEU 356 Ca -0.00 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1abb h LEU 356 Cb 0.75 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1abb h LEU 356 CO 0.00 0.40 0.00 -0.62 -1.08 0.00 0.00 178.44 177.14 1abb n GLU 357 N -4.91 0.00 0.00 1.13 -0.58 -0.69 -5.03 120.64 110.56 1abb n GLU 357 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1abb n GLU 357 Cb 0.27 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 1abb n GLU 357 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1abb n ARG 358 N -0.17 0.00 -2.49 3.49 3.00 -0.88 -5.01 116.66 114.60 1abb n ARG 358 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 1abb n ARG 358 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 1abb n ARG 358 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1abb s LEU 359 N 0.00 4.24 0.93 6.15 1.43 -0.51 -4.95 118.68 125.98 1abb s LEU 359 Ca 0.00 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 1abb s LEU 359 Cb 0.00 -4.03 0.15 0.00 0.03 0.00 0.00 46.19 42.34 1abb s LEU 359 CO 0.00 -0.44 1.10 1.51 0.23 0.00 0.00 176.35 178.75 1abb s ASP 360 N -1.34 3.00 0.38 2.29 1.47 -1.26 -4.38 116.67 116.83 1abb s ASP 360 Ca 0.55 1.75 0.07 0.00 1.18 0.00 0.00 52.55 56.10 1abb s ASP 360 Cb -0.26 -2.37 0.80 0.00 -0.34 0.00 0.00 42.92 40.76 1abb s ASP 360 CO 0.32 -2.98 1.97 -0.25 0.68 0.00 0.00 175.17 174.91 1abb h TRP 361 N -1.78 0.69 0.05 2.11 7.01 -1.97 -0.55 115.95 121.50 1abb h TRP 361 Ca -0.49 0.02 -0.26 0.00 2.11 0.00 0.00 58.89 60.27 1abb h TRP 361 Cb 1.28 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 28.09 1abb h TRP 361 CO 0.44 0.36 -1.28 -0.44 -2.79 0.00 0.00 178.44 174.73 1abb h ASP 362 N 0.68 0.15 -0.02 2.65 3.32 -1.98 0.18 116.42 121.39 1abb h ASP 362 Ca 0.30 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1abb h ASP 362 Cb 0.30 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1abb h ASP 362 CO -0.10 1.15 -0.26 0.50 -1.72 0.00 0.00 179.24 178.81 1abb h LYS 363 N 0.03 0.44 -0.16 3.56 1.63 -1.77 0.13 116.57 120.43 1abb h LYS 363 Ca -0.13 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.44 1abb h LYS 363 Cb 1.90 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1abb h LYS 363 CO 0.14 0.67 -0.16 0.00 -3.45 0.00 0.00 179.45 176.66 1abb h ALA 364 N 1.33 0.23 0.00 5.00 0.00 -0.67 -2.95 119.26 122.20 1abb h ALA 364 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1abb h ALA 364 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1abb h ALA 364 CO 0.05 0.13 -0.51 2.35 0.00 0.00 0.00 179.25 181.27 1abb h TRP 365 N 0.03 0.00 0.42 0.00 2.91 -0.40 -1.98 115.95 116.93 1abb h TRP 365 Ca 0.03 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1abb h TRP 365 Cb 0.69 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1abb h TRP 365 CO 0.08 0.51 -0.30 1.49 -1.03 0.00 0.00 178.44 179.19 1abb h GLU 366 N 0.00 -0.67 -0.63 2.65 4.81 -0.93 -2.37 114.58 117.44 1abb h GLU 366 Ca -0.01 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1abb h GLU 366 Cb 1.03 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 1abb h GLU 366 CO 0.07 -0.45 0.09 0.28 -0.73 0.00 0.00 179.01 178.27 1abb h VAL 367 N -0.70 0.56 -0.04 0.32 2.07 -1.32 -2.49 116.25 114.65 1abb h VAL 367 Ca -0.04 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1abb h VAL 367 Cb 0.59 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1abb h VAL 367 CO 0.02 0.04 0.02 0.74 0.02 0.00 0.00 177.57 178.40 1abb h THR 368 N 0.21 1.12 -0.33 2.57 2.02 -1.10 -0.01 112.91 117.39 1abb h THR 368 Ca 0.34 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1abb h THR 368 Cb 0.54 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1abb h THR 368 CO -0.47 0.10 0.04 0.58 0.37 0.00 0.00 175.52 176.13 1abb h VAL 369 N -0.06 1.24 -0.27 3.16 2.07 -1.13 -0.01 116.25 121.25 1abb h VAL 369 Ca 0.02 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1abb h VAL 369 Cb 0.14 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1abb h VAL 369 CO -0.00 0.29 0.08 0.11 0.02 0.00 0.00 177.57 178.06 1abb h LYS 370 N 0.38 0.37 0.09 1.57 1.57 -1.35 0.80 116.57 120.01 1abb h LYS 370 Ca 0.10 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.54 1abb h LYS 370 Cb 0.38 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1abb h LYS 370 CO 0.01 0.34 -1.52 1.15 -0.57 0.00 0.00 179.45 178.85 1abb h THR 371 N 0.37 1.14 -1.37 -0.16 2.02 -0.71 -3.45 112.91 110.75 1abb h THR 371 Ca 0.09 -2.83 -0.45 0.00 0.77 0.00 0.00 66.41 63.99 1abb h THR 371 Cb 0.13 2.70 0.03 0.00 -1.74 0.00 0.00 68.15 69.27 1abb h THR 371 CO -0.01 0.79 -0.13 0.00 0.37 0.00 0.00 175.52 176.54 1abb s ALA 373 N -2.61 -1.70 -0.06 0.00 0.00 -1.04 -2.04 121.76 114.31 1abb s ALA 373 Ca 0.59 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 1abb s ALA 373 Cb -0.08 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1abb s ALA 373 CO 0.37 -0.58 0.00 -0.47 0.00 0.00 0.00 175.76 175.08 1abb s TYR 374 N -2.56 0.57 0.16 0.00 5.04 -0.86 -0.39 117.35 119.32 1abb s TYR 374 Ca -0.04 -0.10 -0.18 0.00 -2.44 0.00 0.00 57.07 54.30 1abb s TYR 374 Cb -0.01 -0.72 -0.07 0.00 0.35 0.00 0.00 41.96 41.51 1abb s TYR 374 CO -0.03 -0.28 0.64 0.99 -1.34 0.00 0.00 175.55 175.53 1abb s THR 375 N 1.82 4.68 0.19 4.34 2.01 -1.01 -2.42 115.64 125.24 1abb s THR 375 Ca 0.02 1.15 0.10 0.00 0.31 0.00 0.00 61.69 63.28 1abb s THR 375 Cb -0.12 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1abb s THR 375 CO -0.04 0.31 -0.17 0.21 -0.69 0.00 0.00 174.62 174.24 1abb s ASN 376 N -1.53 3.83 0.00 3.53 3.84 -0.89 -2.70 114.94 121.02 1abb s ASN 376 Ca 0.38 -0.73 0.00 0.00 0.21 0.00 0.00 52.86 52.72 1abb s ASN 376 Cb -0.17 -0.48 0.00 0.00 -0.55 0.00 0.00 41.25 40.05 1abb s ASN 376 CO 0.20 0.11 0.25 1.41 -2.79 0.00 0.00 177.10 176.28 1abb n HIS 377 N 0.14 0.00 -4.13 0.43 8.25 -1.26 -4.37 115.22 114.28 1abb n HIS 377 Ca -0.11 -0.03 -0.28 0.00 -0.26 0.00 0.00 57.72 57.03 1abb n HIS 377 Cb 0.56 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 1abb n HIS 377 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1abb s THR 378 N -0.05 4.07 -0.05 1.59 -4.23 -1.26 -4.79 115.64 110.93 1abb s THR 378 Ca 0.00 -1.10 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1abb s THR 378 Cb 0.00 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1abb s THR 378 CO 0.00 0.02 -0.04 0.55 -0.54 0.00 0.00 174.62 174.60 1abb n VAL 379 N 0.20 0.26 -2.68 2.29 3.14 -1.26 -4.99 118.33 115.29 1abb n VAL 379 Ca -0.10 -0.09 -0.42 0.00 -2.96 0.00 0.00 64.34 60.77 1abb n VAL 379 Cb 0.53 -0.79 -0.03 0.00 -1.06 0.00 0.00 33.84 32.50 1abb n VAL 379 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1abb s ILE 380 N -2.09 4.78 0.53 1.55 1.09 -1.26 -4.94 121.20 120.86 1abb s ILE 380 Ca -0.06 2.02 0.33 0.00 -1.10 0.00 0.00 60.65 61.83 1abb s ILE 380 Cb 0.02 -4.30 0.36 0.00 -1.06 0.00 0.00 42.46 37.48 1abb s ILE 380 CO 0.10 0.08 2.22 -0.65 -0.10 0.00 0.00 174.94 176.58 1abb h PRO 381 N 6.97 0.00 0.00 2.79 0.11 -1.99 -1.93 132.00 137.96 1abb h PRO 381 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1abb h PRO 381 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1abb h PRO 381 CO 0.81 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 179.02 1abb n GLU 382 N -3.57 0.27 0.00 1.05 4.71 -1.26 -2.10 120.64 119.74 1abb n GLU 382 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1abb n GLU 382 Cb 0.14 -1.03 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 1abb n GLU 382 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1abb n ALA 383 N -0.53 2.25 -2.71 0.62 0.00 -0.72 -5.03 120.51 114.38 1abb n ALA 383 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1abb n ALA 383 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1abb n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1abb s LEU 384 N -0.67 4.37 0.52 0.00 1.02 -0.89 -4.96 118.68 118.06 1abb s LEU 384 Ca 0.00 1.64 -0.19 0.00 0.02 0.00 0.00 54.13 55.60 1abb s LEU 384 Cb 0.00 -3.55 -0.10 0.00 0.02 0.00 0.00 46.19 42.55 1abb s LEU 384 CO 0.00 -0.26 0.47 1.21 0.02 0.00 0.00 176.35 177.79 1abb n GLU 385 N 3.91 0.49 -3.66 1.70 2.13 -1.26 -4.89 120.64 119.05 1abb n GLU 385 Ca 0.06 0.19 -0.08 0.00 0.66 0.00 0.00 57.16 57.99 1abb n GLU 385 Cb 0.51 -1.57 -0.09 0.00 0.27 0.00 0.00 31.44 30.56 1abb n GLU 385 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1abb s ARG 386 N -1.82 0.40 0.01 5.31 3.52 -1.26 -2.72 118.95 122.40 1abb s ARG 386 Ca 0.66 1.07 0.01 0.00 -0.13 0.00 0.00 55.73 57.34 1abb s ARG 386 Cb -0.50 0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 33.20 1abb s ARG 386 CO 0.57 -0.22 0.06 -1.58 -0.81 0.00 0.00 175.30 173.32 1abb s TRP 387 N 2.38 3.21 0.18 5.12 0.52 -0.21 -4.81 118.94 125.33 1abb s TRP 387 Ca -0.04 0.15 -0.32 0.00 0.02 0.00 0.00 56.10 55.90 1abb s TRP 387 Cb -0.11 -1.70 -0.12 0.00 -1.15 0.00 0.00 33.47 30.39 1abb s TRP 387 CO -0.14 0.52 1.73 -2.30 0.02 0.00 0.00 176.95 176.78 1abb n PRO 388 N 1.09 2.68 0.17 4.98 -0.02 -1.26 0.11 135.00 142.75 1abb n PRO 388 Ca -0.13 0.97 0.09 0.00 -2.02 0.00 0.00 63.50 62.42 1abb n PRO 388 Cb 0.52 -2.82 0.61 0.00 -0.02 0.00 0.00 33.50 31.80 1abb n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1abb h VAL 389 N 3.97 0.97 0.00 -1.45 -1.51 -1.74 0.35 116.25 116.84 1abb h VAL 389 Ca -0.44 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 64.97 1abb h VAL 389 Cb 1.21 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1abb h VAL 389 CO 0.95 0.02 -0.11 1.12 -1.23 0.00 0.00 177.57 178.32 1abb h HIS 390 N 0.10 0.00 0.10 5.19 2.07 -1.91 0.46 115.15 121.16 1abb h HIS 390 Ca 0.07 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.40 1abb h HIS 390 Cb 0.16 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.15 1abb h HIS 390 CO -0.00 0.11 -0.94 -0.07 -3.07 0.00 0.00 177.93 173.96 1abb h LEU 391 N 0.00 0.35 -0.95 6.12 3.38 -1.35 -2.98 115.31 119.89 1abb h LEU 391 Ca -0.00 -0.90 -0.07 0.00 0.09 0.00 0.00 57.88 57.00 1abb h LEU 391 Cb 0.70 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1abb h LEU 391 CO 0.01 1.42 -0.33 0.25 0.09 0.00 0.00 178.44 179.89 1abb h LEU 392 N -0.48 0.00 -0.36 1.67 5.85 -0.64 -2.55 115.31 118.80 1abb h LEU 392 Ca -0.19 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1abb h LEU 392 Cb 1.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1abb h LEU 392 CO 0.08 0.33 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.06 1abb h GLU 393 N 0.00 0.71 0.00 1.25 5.08 -1.07 -0.69 114.58 119.87 1abb h GLU 393 Ca -0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1abb h GLU 393 Cb 0.87 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1abb h GLU 393 CO 0.04 0.88 0.00 2.41 -1.00 0.00 0.00 179.01 181.35 1abb n THR 394 N -4.36 0.00 1.63 1.13 -1.04 -1.10 -3.94 114.28 106.60 1abb n THR 394 Ca -0.02 1.03 0.14 0.00 -2.04 0.00 0.00 64.05 63.15 1abb n THR 394 Cb 0.37 -1.98 0.62 0.00 -1.82 0.00 0.00 70.33 67.51 1abb n THR 394 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1abb n LEU 395 N -1.82 1.00 -2.56 -4.42 -0.00 -0.98 -4.30 117.00 103.92 1abb n LEU 395 Ca 0.00 -0.36 -0.03 0.00 -0.00 0.00 0.00 56.01 55.62 1abb n LEU 395 Cb 0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 43.42 43.45 1abb n LEU 395 CO 0.00 0.18 0.03 -0.11 -0.00 0.00 0.00 177.39 177.49 1abb n LEU 396 N -0.19 2.02 0.22 1.47 7.94 -0.27 -2.13 117.00 126.05 1abb n LEU 396 Ca 0.19 -3.19 0.12 0.00 -1.11 0.00 0.00 56.01 52.03 1abb n LEU 396 Cb 0.26 0.30 0.71 0.00 0.53 0.00 0.00 43.42 45.22 1abb n LEU 396 CO 0.16 1.14 1.11 1.55 -1.11 0.00 0.00 177.39 180.24 1abb h PRO 397 N 2.37 0.00 -0.08 1.96 0.13 -1.67 0.77 132.00 135.47 1abb h PRO 397 Ca -0.07 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.86 1abb h PRO 397 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1abb h PRO 397 CO 0.25 0.00 -0.78 -0.09 -0.23 0.00 0.00 178.00 177.15 1abb h ARG 398 N 0.00 0.49 0.00 0.86 9.65 -1.92 -2.86 114.38 120.61 1abb h ARG 398 Ca 0.05 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1abb h ARG 398 Cb 0.22 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1abb h ARG 398 CO -0.00 1.06 0.00 0.45 2.80 0.00 0.00 179.97 184.28 1abb h HIS 399 N 0.33 0.00 0.07 2.20 3.86 0.23 -1.05 115.15 120.79 1abb h HIS 399 Ca -0.04 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.87 1abb h HIS 399 Cb 1.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.82 1abb h HIS 399 CO 0.06 0.00 -1.58 1.25 0.86 0.00 0.00 177.93 178.52 1abb h LEU 400 N 0.00 0.24 -0.32 2.43 6.46 -1.49 -2.85 115.31 119.77 1abb h LEU 400 Ca 0.00 -0.38 -0.10 0.00 -0.12 0.00 0.00 57.88 57.28 1abb h LEU 400 Cb 0.36 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1abb h LEU 400 CO 0.00 1.32 -0.18 1.56 -0.62 0.00 0.00 178.44 180.52 1abb h GLN 401 N 0.04 0.70 -0.71 1.25 4.20 -1.12 0.50 115.11 119.98 1abb h GLN 401 Ca -0.25 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.11 1abb h GLN 401 Cb 1.99 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.72 1abb h GLN 401 CO 0.13 0.92 0.31 0.82 -0.67 0.00 0.00 178.83 180.34 1abb h ILE 402 N 0.46 1.23 -0.49 2.54 2.04 -1.35 0.06 117.51 122.00 1abb h ILE 402 Ca 0.07 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1abb h ILE 402 Cb 0.73 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1abb h ILE 402 CO 0.05 0.29 0.26 0.40 0.00 0.00 0.00 178.15 179.15 1abb h ILE 403 N 1.01 1.18 0.42 -0.67 2.04 -1.14 0.11 117.51 120.46 1abb h ILE 403 Ca 0.24 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1abb h ILE 403 Cb 0.15 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1abb h ILE 403 CO -0.03 0.19 -0.33 1.88 0.00 0.00 0.00 178.15 179.86 1abb h TYR 404 N 0.65 -0.89 -0.26 1.37 0.05 -0.56 -1.58 116.97 115.75 1abb h TYR 404 Ca 0.17 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 1abb h TYR 404 Cb 0.07 0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1abb h TYR 404 CO -0.01 -0.48 0.01 1.49 -1.05 0.00 0.00 178.16 178.11 1abb h GLU 405 N -0.75 0.39 -0.24 4.88 4.57 -0.35 0.43 114.58 123.52 1abb h GLU 405 Ca -0.04 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1abb h GLU 405 Cb 0.65 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 1abb h GLU 405 CO -0.01 0.41 0.07 0.82 -1.18 0.00 0.00 179.01 179.12 1abb h ILE 406 N 0.38 0.91 -0.35 2.32 2.04 -0.77 -2.87 117.51 119.18 1abb h ILE 406 Ca 0.09 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1abb h ILE 406 Cb 0.24 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1abb h ILE 406 CO 0.00 0.03 0.22 -1.13 0.00 0.00 0.00 178.15 177.28 1abb h ASN 407 N 0.17 0.38 -0.18 1.72 -1.24 0.05 0.11 115.58 116.59 1abb h ASN 407 Ca 0.11 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.15 1abb h ASN 407 Cb 0.09 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1abb h ASN 407 CO -0.13 0.27 -0.03 -0.61 -1.29 0.00 0.00 177.43 175.65 1abb h GLN 408 N 0.45 0.02 -0.47 6.67 4.15 -0.93 -0.60 115.11 124.41 1abb h GLN 408 Ca 0.13 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1abb h GLN 408 Cb -0.04 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1abb h GLN 408 CO -0.04 0.01 0.03 0.00 -1.93 0.00 0.00 178.83 176.91 1abb h ARG 409 N 0.02 0.75 -0.48 1.69 3.08 -1.16 -0.35 114.38 117.92 1abb h ARG 409 Ca 0.08 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1abb h ARG 409 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1abb h ARG 409 CO -0.17 0.74 -0.17 0.35 -1.07 0.00 0.00 179.97 179.65 1abb h PHE 410 N 0.71 1.07 -0.00 3.04 3.57 0.02 -2.62 116.94 122.72 1abb h PHE 410 Ca 0.15 -0.24 -0.16 0.00 3.53 0.00 0.00 57.97 61.25 1abb h PHE 410 Cb 0.39 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1abb h PHE 410 CO 0.02 1.03 -0.74 -0.07 -2.23 0.00 0.00 178.31 176.32 1abb h LEU 411 N 0.83 0.03 -1.93 0.59 3.38 0.38 -1.62 115.31 116.96 1abb h LEU 411 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1abb h LEU 411 Cb 0.72 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1abb h LEU 411 CO 0.06 0.76 -0.09 0.78 0.09 0.00 0.00 178.44 180.03 1abb h ASN 412 N 0.01 0.00 -0.36 -0.43 -0.26 -0.89 -0.71 115.58 112.94 1abb h ASN 412 Ca -0.01 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.60 1abb h ASN 412 Cb 1.31 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.56 1abb h ASN 412 CO 0.10 0.09 -0.29 0.03 -1.06 0.00 0.00 177.43 176.30 1abb h ARG 413 N 0.00 0.83 -0.24 0.81 3.08 -0.96 -2.88 114.38 115.02 1abb h ARG 413 Ca -0.00 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 1abb h ARG 413 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1abb h ARG 413 CO 0.01 1.05 0.09 0.28 -1.07 0.00 0.00 179.97 180.33 1abb h VAL 414 N 0.63 1.18 -0.03 2.04 2.07 -0.28 -2.19 116.25 119.67 1abb h VAL 414 Ca 0.07 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 1abb h VAL 414 Cb 0.86 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1abb h VAL 414 CO 0.08 0.18 -0.42 0.00 0.02 0.00 0.00 177.57 177.43 1abb h ALA 415 N 0.92 1.25 0.00 1.67 0.00 -1.37 0.15 119.26 121.88 1abb h ALA 415 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1abb h ALA 415 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1abb h ALA 415 CO -0.00 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1abb n ALA 416 N -2.46 1.95 -0.10 0.00 0.00 -1.09 -2.24 120.51 116.57 1abb n ALA 416 Ca -0.02 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1abb n ALA 416 Cb 0.46 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 1abb n ALA 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1abb n ALA 417 N -1.73 0.77 -3.65 0.00 0.00 -0.41 -4.76 120.51 110.74 1abb n ALA 417 Ca 0.04 -0.67 -0.36 0.00 0.00 0.00 0.00 53.44 52.44 1abb n ALA 417 Cb 0.31 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 1abb n ALA 417 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1abb s PHE 418 N -2.51 3.80 0.45 0.00 0.08 0.38 -5.04 117.98 115.14 1abb s PHE 418 Ca -0.26 -2.96 -0.25 0.00 0.12 0.00 0.00 56.93 53.58 1abb s PHE 418 Cb 0.06 -3.24 -0.08 0.00 -0.57 0.00 0.00 43.02 39.19 1abb s PHE 418 CO 0.40 -0.76 1.42 -2.14 -0.10 0.00 0.00 175.22 174.04 1abb s PRO 419 N -1.10 3.67 0.00 0.24 0.02 -0.95 -2.07 135.00 134.81 1abb s PRO 419 Ca 0.25 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1abb s PRO 419 Cb -0.09 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.78 1abb s PRO 419 CO -0.11 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 1abb n GLY 420 N 0.59 2.27 3.69 0.52 0.00 -1.26 -4.94 105.19 106.06 1abb n GLY 420 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1abb n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1abb s ASP 421 N -2.24 7.08 -0.24 1.61 -1.08 -0.88 -4.81 116.67 116.10 1abb s ASP 421 Ca 0.00 1.77 -0.10 0.00 -0.52 0.00 0.00 52.55 53.70 1abb s ASP 421 Cb 0.00 -2.56 -0.11 0.00 -1.46 0.00 0.00 42.92 38.79 1abb s ASP 421 CO 0.00 -0.56 -0.30 0.52 0.52 0.00 0.00 175.17 175.35 1abb n VAL 422 N 4.61 1.35 0.30 1.11 0.31 -1.26 -4.35 118.33 120.40 1abb n VAL 422 Ca 0.11 -0.38 0.17 0.00 -0.01 0.00 0.00 64.34 64.23 1abb n VAL 422 Cb 0.47 -1.73 0.78 0.00 -0.91 0.00 0.00 33.84 32.44 1abb n VAL 422 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1abb h ASP 423 N -0.71 0.00 -0.03 4.52 3.58 -1.99 0.71 116.42 122.49 1abb h ASP 423 Ca -0.61 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 56.61 1abb h ASP 423 Cb 1.60 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.66 1abb h ASP 423 CO -0.32 0.00 -0.88 -0.09 -2.88 0.00 0.00 179.24 175.07 1abb h ARG 424 N 0.00 0.65 -0.63 0.28 2.43 -1.97 -1.04 114.38 114.12 1abb h ARG 424 Ca 0.00 -0.66 0.12 0.00 -0.81 0.00 0.00 59.98 58.63 1abb h ARG 424 Cb 0.32 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1abb h ARG 424 CO 0.00 1.26 0.42 -0.07 -1.51 0.00 0.00 179.97 180.07 1abb h LEU 425 N 0.31 0.32 -0.03 3.80 -0.00 -1.05 0.80 115.31 119.45 1abb h LEU 425 Ca -0.10 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1abb h LEU 425 Cb 1.54 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 42.15 1abb h LEU 425 CO 0.18 0.18 -0.46 -2.11 -0.00 0.00 0.00 178.44 176.23 1abb n ARG 426 N -4.46 0.06 0.03 1.13 1.85 -1.08 -3.20 116.66 110.98 1abb n ARG 426 Ca 0.11 -0.03 -0.16 0.00 -1.00 0.00 0.00 57.85 56.77 1abb n ARG 426 Cb 0.45 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.22 1abb n ARG 426 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1abb h ARG 427 N 0.08 0.18 0.00 2.89 3.08 0.19 -3.39 114.38 117.41 1abb h ARG 427 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1abb h ARG 427 Cb 0.50 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1abb h ARG 427 CO 0.00 0.97 -0.47 0.52 -1.07 0.00 0.00 179.97 179.92 1abb h MET 428 N 0.05 0.00 -6.11 0.04 2.86 -1.24 -3.49 114.93 107.04 1abb h MET 428 Ca -0.29 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.82 1abb h MET 428 Cb 2.01 0.00 0.24 0.00 0.06 0.00 0.00 31.60 33.92 1abb h MET 428 CO 0.12 0.00 -1.97 0.45 1.06 0.00 0.00 176.91 176.57 1abb n SER 429 N -2.38 -4.58 0.01 1.22 2.88 -1.20 -4.94 113.62 104.62 1abb n SER 429 Ca 0.03 0.12 -0.17 0.00 -1.33 0.00 0.00 58.87 57.53 1abb n SER 429 Cb 0.47 -0.73 -0.14 0.00 -0.75 0.00 0.00 64.21 63.06 1abb n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1abb h LEU 430 N -1.11 0.29 -9.61 2.46 3.38 -1.92 -3.46 115.31 105.35 1abb h LEU 430 Ca -0.43 -0.62 -0.55 0.00 0.09 0.00 0.00 57.88 56.38 1abb h LEU 430 Cb 1.33 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1abb h LEU 430 CO 0.24 1.55 0.11 -0.69 0.09 0.00 0.00 178.44 179.74 1abb s VAL 431 N -2.58 4.65 -0.04 1.22 1.01 -1.26 -0.66 120.40 122.74 1abb s VAL 431 Ca -0.15 1.54 0.07 0.00 0.00 0.00 0.00 61.98 63.43 1abb s VAL 431 Cb 0.07 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1abb s VAL 431 CO 0.80 0.44 -0.25 -0.70 0.00 0.00 0.00 175.10 175.40 1abb s GLU 432 N -0.53 2.33 -0.02 2.72 2.12 -0.33 -4.97 118.70 120.02 1abb s GLU 432 Ca 0.35 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.83 1abb s GLU 432 Cb -0.21 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.10 1abb s GLU 432 CO 0.22 0.43 -0.11 -1.21 -0.54 0.00 0.00 175.26 174.05 1abb s GLU 433 N -0.29 2.49 0.00 4.30 0.41 -1.26 -1.22 118.70 123.12 1abb s GLU 433 Ca 0.01 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 1abb s GLU 433 Cb -0.12 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1abb s GLU 433 CO 0.02 0.61 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 1abb n GLY 434 N 1.91 1.94 3.72 -1.39 0.00 -1.26 -4.98 105.19 105.13 1abb n GLY 434 Ca -0.16 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 1abb n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abb s ALA 435 N -1.00 3.43 -0.05 4.61 0.00 -1.26 -4.61 121.76 122.88 1abb s ALA 435 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1abb s ALA 435 Cb 0.00 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.39 1abb s ALA 435 CO 0.00 -0.03 0.03 0.28 0.00 0.00 0.00 175.76 176.04 1abb n VAL 436 N 3.70 -4.49 -2.36 0.00 0.31 -1.26 -4.98 118.33 109.25 1abb n VAL 436 Ca -0.05 0.46 -0.43 0.00 -0.01 0.00 0.00 64.34 64.31 1abb n VAL 436 Cb 0.52 -4.33 -0.02 0.00 -0.91 0.00 0.00 33.84 29.09 1abb n VAL 436 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1abb s LYS 437 N -0.64 4.24 0.43 5.55 2.20 -1.26 -4.78 119.74 125.47 1abb s LYS 437 Ca -0.03 1.75 0.06 0.00 -0.36 0.00 0.00 55.97 57.38 1abb s LYS 437 Cb 0.00 -3.77 -0.07 0.00 -1.51 0.00 0.00 37.83 32.48 1abb s LYS 437 CO 0.16 -0.70 0.01 1.03 -0.36 0.00 0.00 175.35 175.48 1abb s ARG 438 N 3.44 2.00 -0.08 4.03 0.52 -0.36 -2.18 118.95 126.33 1abb s ARG 438 Ca 0.58 -2.16 0.02 0.00 -0.52 0.00 0.00 55.73 53.64 1abb s ARG 438 Cb -0.24 -1.61 -0.02 0.00 0.52 0.00 0.00 34.95 33.60 1abb s ARG 438 CO 0.18 -0.11 -0.12 0.42 0.02 0.00 0.00 175.30 175.68 1abb s ILE 439 N -2.75 3.20 -0.39 1.52 -1.09 0.12 -1.18 121.20 120.62 1abb s ILE 439 Ca 0.29 -0.65 -0.15 0.00 -2.23 0.00 0.00 60.65 57.90 1abb s ILE 439 Cb 0.08 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.68 1abb s ILE 439 CO 0.15 0.57 0.35 0.21 -1.23 0.00 0.00 174.94 174.99 1abb s ASN 440 N -0.45 6.14 0.29 3.58 3.84 0.17 -1.05 114.94 127.47 1abb s ASN 440 Ca 0.06 -0.62 0.04 0.00 0.21 0.00 0.00 52.86 52.55 1abb s ASN 440 Cb -0.12 -2.18 0.46 0.00 -0.55 0.00 0.00 41.25 38.86 1abb s ASN 440 CO 0.02 -0.43 1.74 0.24 -2.79 0.00 0.00 177.10 175.87 1abb h MET 441 N 8.61 0.40 -0.08 0.43 2.86 -1.84 -1.96 114.93 123.35 1abb h MET 441 Ca -0.28 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.11 1abb h MET 441 Cb 1.13 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1abb h MET 441 CO 0.73 0.65 -0.31 0.00 1.06 0.00 0.00 176.91 179.03 1abb h ALA 442 N 1.36 0.14 0.00 6.32 0.00 -1.91 -2.07 119.26 123.10 1abb h ALA 442 Ca 0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1abb h ALA 442 Cb 0.67 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1abb h ALA 442 CO 0.05 0.19 -0.04 0.45 0.00 0.00 0.00 179.25 179.90 1abb h HIS 443 N -0.13 0.00 -0.27 0.00 3.86 -1.84 -0.27 115.15 116.50 1abb h HIS 443 Ca -0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1abb h HIS 443 Cb 0.95 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 1abb h HIS 443 CO 0.12 0.04 0.14 1.25 0.86 0.00 0.00 177.93 180.34 1abb h LEU 444 N 0.00 0.34 -0.44 2.43 6.46 -1.20 -2.56 115.31 120.34 1abb h LEU 444 Ca -0.00 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 1abb h LEU 444 Cb 0.54 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1abb h LEU 444 CO 0.00 0.35 0.17 0.00 -0.62 0.00 0.00 178.44 178.34 1abb h ILE 446 N 0.56 1.29 -0.15 0.00 2.04 -1.00 -0.89 117.51 119.36 1abb h ILE 446 Ca 0.14 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 1abb h ILE 446 Cb 0.20 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1abb h ILE 446 CO -0.01 0.40 -0.02 0.00 0.00 0.00 0.00 178.15 178.52 1abb h ALA 447 N 1.51 0.20 -0.50 1.87 0.00 -1.36 -3.19 119.26 117.79 1abb h ALA 447 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1abb h ALA 447 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1abb h ALA 447 CO 0.05 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1abb n GLY 448 N -0.18 2.06 3.70 0.00 0.00 -0.22 -4.90 105.19 105.65 1abb n GLY 448 Ca -0.06 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1abb n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1abb s SER 449 N -0.81 5.28 0.00 1.61 0.01 -0.42 -4.14 113.70 115.22 1abb s SER 449 Ca 0.39 0.09 0.13 0.00 1.31 0.00 0.00 55.95 57.86 1abb s SER 449 Cb 0.25 -1.45 0.76 0.00 0.21 0.00 0.00 66.02 65.78 1abb s SER 449 CO 0.19 0.32 1.47 0.00 0.41 0.00 0.00 173.24 175.63 1abb n HIS 450 N 1.68 0.00 -3.64 2.43 -0.00 0.28 -4.92 115.22 111.05 1abb n HIS 450 Ca -0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.49 1abb n HIS 450 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.45 1abb n HIS 450 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1abb s ALA 451 N -2.00 -2.07 0.08 1.59 0.00 -1.26 -4.82 121.76 113.28 1abb s ALA 451 Ca 0.19 1.79 0.09 0.00 0.00 0.00 0.00 51.96 54.03 1abb s ALA 451 Cb 0.09 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1abb s ALA 451 CO 0.15 -0.19 -0.25 0.08 0.00 0.00 0.00 175.76 175.55 1abb s VAL 452 N 0.04 2.02 -0.00 0.00 1.01 -0.09 -2.03 120.40 121.35 1abb s VAL 452 Ca 0.05 -1.48 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 1abb s VAL 452 Cb -0.05 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 1abb s VAL 452 CO -0.10 0.19 0.09 0.54 0.00 0.00 0.00 175.10 175.82 1abb s ASN 453 N -1.56 0.06 0.03 3.32 4.22 -1.02 -1.18 114.94 118.82 1abb s ASN 453 Ca 0.11 -0.21 0.00 0.00 -2.14 0.00 0.00 52.86 50.62 1abb s ASN 453 Cb -0.10 0.18 0.00 0.00 1.28 0.00 0.00 41.25 42.61 1abb s ASN 453 CO 0.03 -0.29 0.00 0.61 -2.04 0.00 0.00 177.10 175.41 1abb n GLY 454 N 1.77 1.26 0.00 0.45 0.00 -1.18 -2.10 105.19 105.40 1abb n GLY 454 Ca -0.21 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1abb n GLY 454 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1abb n VAL 455 N -0.18 0.19 -3.61 1.61 3.14 -1.26 -2.13 118.33 116.08 1abb n VAL 455 Ca 0.00 -0.21 -0.14 0.00 -2.96 0.00 0.00 64.34 61.03 1abb n VAL 455 Cb 0.00 1.05 -0.07 0.00 -1.06 0.00 0.00 33.84 33.76 1abb n VAL 455 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1abb s ALA 456 N -0.19 -1.81 0.22 1.55 0.00 -1.26 -2.68 121.76 117.60 1abb s ALA 456 Ca 0.00 1.90 -0.08 0.00 0.00 0.00 0.00 51.96 53.78 1abb s ALA 456 Cb 0.00 -1.04 0.18 0.00 0.00 0.00 0.00 23.12 22.26 1abb s ALA 456 CO 0.00 -0.33 1.85 0.00 0.00 0.00 0.00 175.76 177.28 1abb h ARG 457 N 4.56 1.14 -0.69 0.00 3.08 -1.92 -1.79 114.38 118.77 1abb h ARG 457 Ca -0.28 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 59.67 1abb h ARG 457 Cb 1.16 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.94 1abb h ARG 457 CO 0.11 0.82 0.44 -0.84 -1.07 0.00 0.00 179.97 179.43 1abb h ILE 458 N 1.14 1.12 -0.16 2.04 3.07 -1.94 -1.41 117.51 121.38 1abb h ILE 458 Ca 0.29 -0.30 -0.16 0.00 1.55 0.00 0.00 64.86 66.24 1abb h ILE 458 Cb -0.01 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 36.71 1abb h ILE 458 CO -0.05 0.16 -0.58 -0.74 -1.05 0.00 0.00 178.15 175.89 1abb h HIS 459 N 0.87 0.64 0.00 0.16 6.17 -1.75 -2.13 115.15 119.12 1abb h HIS 459 Ca 0.27 -0.24 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1abb h HIS 459 Cb -0.03 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.78 1abb h HIS 459 CO -0.04 0.97 -0.10 0.77 0.71 0.00 0.00 177.93 180.24 1abb h SER 460 N 0.38 0.00 -0.17 3.26 0.02 -0.56 -0.26 113.55 116.24 1abb h SER 460 Ca 0.00 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1abb h SER 460 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1abb h SER 460 CO 0.11 0.00 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.44 1abb h GLU 461 N 0.00 0.31 0.00 3.45 4.39 -1.18 -1.91 114.58 119.65 1abb h GLU 461 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1abb h GLU 461 Cb 0.98 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1abb h GLU 461 CO 0.00 0.57 0.00 -0.84 -1.16 0.00 0.00 179.01 177.58 1abb h ILE 462 N 0.03 0.00 -0.09 3.13 3.07 -1.30 0.58 117.51 122.93 1abb h ILE 462 Ca 0.04 -0.48 -0.11 0.00 1.55 0.00 0.00 64.86 65.86 1abb h ILE 462 Cb 0.45 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.37 1abb h ILE 462 CO 0.01 0.00 -0.46 -0.07 -1.05 0.00 0.00 178.15 176.59 1abb h LEU 463 N 0.00 0.23 0.08 0.16 3.38 -0.82 -2.90 115.31 115.44 1abb h LEU 463 Ca 0.00 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.61 1abb h LEU 463 Cb 0.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1abb h LEU 463 CO 0.00 0.66 -1.21 0.11 0.09 0.00 0.00 178.44 178.09 1abb h LYS 464 N 0.18 0.16 0.00 1.13 1.57 -0.36 0.21 116.57 119.46 1abb h LYS 464 Ca 0.01 -0.27 -0.26 0.00 -1.87 0.00 0.00 60.65 58.26 1abb h LYS 464 Cb 0.88 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.24 1abb h LYS 464 CO 0.07 1.10 -1.74 1.63 -0.57 0.00 0.00 179.45 179.93 1abb n LYS 465 N -3.44 0.64 0.04 3.15 5.02 0.19 -3.96 118.16 119.80 1abb n LYS 465 Ca -0.07 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1abb n LYS 465 Cb 1.00 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1abb n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1abb n THR 466 N -2.93 0.17 0.04 -0.18 -2.24 -1.16 -4.72 114.28 103.26 1abb n THR 466 Ca -0.17 0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.62 1abb n THR 466 Cb 1.00 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1abb n THR 466 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1abb h ILE 467 N 0.00 0.00 -0.92 2.28 5.03 -1.65 -2.94 117.51 119.30 1abb h ILE 467 Ca 0.00 0.00 -0.61 0.00 -0.12 0.00 0.00 64.86 64.13 1abb h ILE 467 Cb 0.00 0.00 -0.31 0.00 -3.03 0.00 0.00 36.82 33.48 1abb h ILE 467 CO 0.00 0.00 0.51 0.49 -0.68 0.00 0.00 178.15 178.47 1abb n PHE 468 N -3.29 3.03 0.23 1.37 3.72 0.74 -4.75 117.46 118.52 1abb n PHE 468 Ca -0.02 -2.70 0.11 0.00 -0.05 0.00 0.00 57.45 54.78 1abb n PHE 468 Cb 0.12 -1.16 0.53 0.00 -0.94 0.00 0.00 39.48 38.03 1abb n PHE 468 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1abb h LYS 469 N 1.87 0.00 0.00 -1.08 2.10 -1.62 -1.25 116.57 116.59 1abb h LYS 469 Ca 0.55 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.19 1abb h LYS 469 Cb 1.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1abb h LYS 469 CO 1.34 0.20 -0.06 -0.44 -2.00 0.00 0.00 179.45 178.49 1abb h ASP 470 N 0.00 0.00 0.36 7.07 5.19 -1.86 -1.71 116.42 125.47 1abb h ASP 470 Ca -0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 1abb h ASP 470 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1abb h ASP 470 CO 0.03 0.06 -1.60 -0.26 -3.12 0.00 0.00 179.24 174.35 1abb h PHE 471 N 0.00 0.57 -0.38 4.55 0.04 -1.69 -2.11 116.94 117.92 1abb h PHE 471 Ca -0.00 -0.42 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 1abb h PHE 471 Cb 0.74 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 1abb h PHE 471 CO 0.00 1.49 0.15 -0.92 -0.60 0.00 0.00 178.31 178.43 1abb h TYR 472 N 0.09 0.52 -0.28 -0.55 3.20 -1.14 0.11 116.97 118.92 1abb h TYR 472 Ca -0.28 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.50 1abb h TYR 472 Cb 2.05 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 40.15 1abb h TYR 472 CO 0.08 0.41 -0.13 0.93 -1.64 0.00 0.00 178.16 177.81 1abb h GLU 473 N 0.53 0.58 -0.25 1.82 5.08 -1.21 -2.00 114.58 119.13 1abb h GLU 473 Ca 0.13 -0.25 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 1abb h GLU 473 Cb 0.11 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1abb h GLU 473 CO -0.01 0.82 -0.52 1.25 -1.00 0.00 0.00 179.01 179.54 1abb h LEU 474 N 0.32 0.80 -6.45 1.33 7.12 -1.19 -3.37 115.31 113.86 1abb h LEU 474 Ca 0.06 -0.41 -0.59 0.00 0.13 0.00 0.00 57.88 57.06 1abb h LEU 474 Cb 0.64 -0.23 -0.39 0.00 -0.53 0.00 0.00 40.66 40.16 1abb h LEU 474 CO 0.04 1.17 -0.92 -0.62 -0.13 0.00 0.00 178.44 177.97 1abb n GLU 475 N -3.99 0.46 -0.12 1.25 1.02 0.36 -4.99 120.64 114.64 1abb n GLU 475 Ca -0.03 -3.37 0.04 0.00 -0.02 0.00 0.00 57.16 53.77 1abb n GLU 475 Cb 0.60 -1.75 0.36 0.00 -0.02 0.00 0.00 31.44 30.63 1abb n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1abb h PRO 476 N 5.52 0.71 0.00 3.49 0.13 -1.53 -2.59 132.00 137.73 1abb h PRO 476 Ca 0.24 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1abb h PRO 476 Cb 0.88 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1abb h PRO 476 CO 0.43 0.47 0.00 -2.39 -0.23 0.00 0.00 178.00 176.28 1abb n HIS 477 N -4.46 0.00 0.07 1.56 1.44 -1.26 -0.94 115.22 111.63 1abb n HIS 477 Ca 0.07 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.89 1abb n HIS 477 Cb 0.11 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.15 1abb n HIS 477 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1abb n LYS 478 N -0.99 0.62 -2.89 -1.40 5.02 -0.98 -4.88 118.16 112.67 1abb n LYS 478 Ca 0.07 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1abb n LYS 478 Cb 0.03 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 33.30 1abb n LYS 478 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1abb s PHE 479 N -3.42 3.24 0.43 2.13 0.40 -0.11 -0.91 117.98 119.73 1abb s PHE 479 Ca -0.03 0.98 0.04 0.00 -0.60 0.00 0.00 56.93 57.31 1abb s PHE 479 Cb 0.11 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.40 1abb s PHE 479 CO 0.84 -0.52 0.05 -0.65 0.70 0.00 0.00 175.22 175.63 1abb s GLN 480 N 2.99 1.97 0.02 0.44 -0.21 -0.32 -4.96 119.66 119.58 1abb s GLN 480 Ca 0.35 -2.19 0.02 0.00 0.02 0.00 0.00 55.36 53.56 1abb s GLN 480 Cb -0.14 -1.19 -0.02 0.00 1.00 0.00 0.00 33.01 32.66 1abb s GLN 480 CO 0.11 -0.29 -0.06 1.21 -2.12 0.00 0.00 175.29 174.14 1abb s ASN 481 N -3.70 0.62 -0.40 5.90 3.84 -1.26 -3.07 114.94 116.88 1abb s ASN 481 Ca 0.23 -0.37 0.04 0.00 0.21 0.00 0.00 52.86 52.96 1abb s ASN 481 Cb 0.05 0.01 0.16 0.00 -0.55 0.00 0.00 41.25 40.93 1abb s ASN 481 CO 0.12 -0.13 0.41 -0.54 -2.79 0.00 0.00 177.10 174.17 1abb s LYS 482 N -1.03 0.74 0.29 0.43 -0.14 -0.91 -4.87 119.74 114.26 1abb s LYS 482 Ca -0.07 -1.14 -0.30 0.00 -1.36 0.00 0.00 55.97 53.11 1abb s LYS 482 Cb -0.07 -0.78 -0.13 0.00 -1.68 0.00 0.00 37.83 35.17 1abb s LYS 482 CO -0.00 -1.25 1.38 2.41 -0.76 0.00 0.00 175.35 177.13 1abb n THR 483 N 3.82 1.42 -1.10 2.17 -1.04 -1.26 -4.47 114.28 113.81 1abb n THR 483 Ca 0.16 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.05 61.50 1abb n THR 483 Cb 0.47 -1.57 0.12 0.00 -1.82 0.00 0.00 70.33 67.53 1abb n THR 483 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1abb s ASN 484 N 0.05 3.94 0.29 8.00 0.01 -1.09 -4.58 114.94 121.56 1abb s ASN 484 Ca 0.62 1.88 -0.14 0.00 -0.71 0.00 0.00 52.86 54.51 1abb s ASN 484 Cb -0.60 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 38.58 1abb s ASN 484 CO 0.55 -2.41 0.59 -0.83 -1.51 0.00 0.00 177.10 173.50 1abb s GLY 485 N -3.20 0.49 0.34 0.66 0.00 -1.26 -4.79 107.32 99.56 1abb s GLY 485 Ca 0.63 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 44.63 1abb s GLY 485 CO 0.57 -0.49 0.10 -1.50 0.00 0.00 0.00 173.10 171.77 1abb s ILE 486 N -3.54 2.94 -0.20 0.90 1.10 -1.23 -4.54 121.20 116.62 1abb s ILE 486 Ca 0.20 -1.78 -0.07 0.00 -0.51 0.00 0.00 60.65 58.48 1abb s ILE 486 Cb -0.03 -2.92 -0.04 0.00 0.15 0.00 0.00 42.46 39.62 1abb s ILE 486 CO 0.11 -0.20 0.06 0.28 -2.11 0.00 0.00 174.94 173.08 1abb s THR 487 N -2.45 4.63 0.32 4.00 -1.32 -1.26 0.54 115.64 120.10 1abb s THR 487 Ca 0.36 -0.08 0.09 0.00 -1.21 0.00 0.00 61.69 60.86 1abb s THR 487 Cb -0.02 -3.11 0.31 0.00 -1.51 0.00 0.00 72.50 68.17 1abb s THR 487 CO 0.22 0.42 1.72 1.55 -2.21 0.00 0.00 174.62 176.32 1abb h PRO 488 N 7.18 0.53 0.00 7.08 0.13 -1.90 -0.91 132.00 144.12 1abb h PRO 488 Ca -0.36 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1abb h PRO 488 Cb 1.17 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1abb h PRO 488 CO 0.66 0.35 0.00 0.54 -0.23 0.00 0.00 178.00 179.32 1abb n ARG 489 N -4.91 0.00 -0.19 0.86 3.00 -1.26 -1.36 116.66 112.80 1abb n ARG 489 Ca 0.27 0.54 -0.10 0.00 -0.01 0.00 0.00 57.85 58.55 1abb n ARG 489 Cb 0.76 -1.44 0.01 0.00 0.00 0.00 0.00 32.46 31.79 1abb n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1abb h ARG 490 N 0.00 1.00 -0.26 5.56 2.43 -1.93 0.16 114.38 121.35 1abb h ARG 490 Ca 0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1abb h ARG 490 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1abb h ARG 490 CO 0.00 1.03 0.00 0.91 -1.51 0.00 0.00 179.97 180.40 1abb n TRP 491 N -4.20 0.34 0.14 2.20 5.03 -0.35 -2.19 117.44 118.41 1abb n TRP 491 Ca 0.02 -0.17 0.00 0.00 3.03 0.00 0.00 57.50 60.38 1abb n TRP 491 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.65 1abb n TRP 491 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 1abb n LEU 492 N 0.36 -1.35 -0.15 -0.99 -0.00 -0.46 -4.63 117.00 109.78 1abb n LEU 492 Ca 0.13 0.51 -0.09 0.00 -0.00 0.00 0.00 56.01 56.56 1abb n LEU 492 Cb 0.29 1.42 -0.00 0.00 -0.00 0.00 0.00 43.42 45.12 1abb n LEU 492 CO 0.10 -0.40 0.91 0.58 -0.00 0.00 0.00 177.39 178.57 1abb h VAL 493 N 0.00 1.21 0.14 1.96 2.07 -0.32 0.97 116.25 122.28 1abb h VAL 493 Ca 0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1abb h VAL 493 Cb 0.00 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1abb h VAL 493 CO 0.00 0.25 -0.07 0.25 0.02 0.00 0.00 177.57 178.02 1abb h LEU 494 N 0.55 -0.16 -0.41 2.57 6.46 -1.09 -3.36 115.31 119.87 1abb h LEU 494 Ca 0.14 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1abb h LEU 494 Cb 0.24 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1abb h LEU 494 CO -0.01 0.22 0.03 0.00 -0.62 0.00 0.00 178.44 178.07 1abb n ASN 496 N -4.47 4.07 0.02 0.00 2.85 0.34 -4.93 115.26 113.13 1abb n ASN 496 Ca -0.00 -3.24 -0.07 0.00 -0.11 0.00 0.00 54.58 51.15 1abb n ASN 496 Cb 0.27 -0.93 -0.13 0.00 1.24 0.00 0.00 39.78 40.23 1abb n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1abb h PRO 497 N 5.44 0.00 0.82 1.20 0.13 -1.71 0.11 132.00 137.99 1abb h PRO 497 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1abb h PRO 497 Cb 0.75 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.89 1abb h PRO 497 CO 0.87 0.67 -0.39 0.78 -0.23 0.00 0.00 178.00 179.70 1abb h GLY 498 N 3.33 -1.14 0.26 1.56 0.00 -1.91 0.24 103.07 105.40 1abb h GLY 498 Ca -0.17 0.42 0.23 0.00 0.00 0.00 0.00 47.33 47.82 1abb h GLY 498 CO 0.10 -0.42 0.61 -2.00 0.00 0.00 0.00 176.54 174.83 1abb h LEU 499 N -1.28 0.19 0.00 3.11 5.85 -1.90 0.66 115.31 121.94 1abb h LEU 499 Ca -0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1abb h LEU 499 Cb 0.84 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1abb h LEU 499 CO 0.18 0.07 -0.16 0.00 -0.34 0.00 0.00 178.44 178.19 1abb h ALA 500 N 1.59 0.91 0.20 1.25 0.00 -0.01 -3.10 119.26 120.10 1abb h ALA 500 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1abb h ALA 500 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1abb h ALA 500 CO -0.09 0.00 -0.09 1.49 0.00 0.00 0.00 179.25 180.55 1abb h GLU 501 N 0.00 -0.25 0.47 0.00 4.81 0.37 -2.78 114.58 117.19 1abb h GLU 501 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1abb h GLU 501 Cb 0.94 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1abb h GLU 501 CO 0.00 -0.04 -0.30 -0.84 -0.73 0.00 0.00 179.01 177.10 1abb h ILE 502 N -1.03 0.38 -0.86 2.32 3.07 -1.14 -0.28 117.51 119.97 1abb h ILE 502 Ca -0.03 0.00 0.19 0.00 1.55 0.00 0.00 64.86 66.57 1abb h ILE 502 Cb 0.34 0.38 -0.16 0.00 -0.27 0.00 0.00 36.82 37.11 1abb h ILE 502 CO 0.04 0.00 -0.12 0.40 -1.05 0.00 0.00 178.15 177.43 1abb h ILE 503 N -0.73 0.16 -0.51 0.16 2.04 -1.68 -1.21 117.51 115.74 1abb h ILE 503 Ca -0.05 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1abb h ILE 503 Cb 0.61 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1abb h ILE 503 CO 0.05 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.48 1abb h ALA 504 N 1.85 0.65 -0.25 1.87 0.00 -0.97 0.14 119.26 122.55 1abb h ALA 504 Ca 0.45 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1abb h ALA 504 Cb 0.77 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1abb h ALA 504 CO -0.84 0.18 -0.38 0.93 0.00 0.00 0.00 179.25 179.14 1abb h GLU 505 N 0.68 -0.28 0.00 0.00 5.08 0.17 0.44 114.58 120.67 1abb h GLU 505 Ca 0.18 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1abb h GLU 505 Cb 0.05 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1abb h GLU 505 CO -0.03 -0.19 -0.21 0.00 -1.00 0.00 0.00 179.01 177.59 1abb h ARG 506 N -0.29 0.00 0.00 2.33 2.47 -1.30 -3.40 114.38 114.19 1abb h ARG 506 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1abb h ARG 506 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1abb h ARG 506 CO -0.39 0.21 -0.70 0.44 0.56 0.00 0.00 179.97 180.09 1abb n ILE 507 N -3.95 0.00 0.00 2.04 -5.35 0.44 -5.05 119.36 107.49 1abb n ILE 507 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1abb n ILE 507 Cb 0.29 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 1abb n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1abb n GLY 508 N 2.35 0.98 0.09 3.28 0.00 0.14 -4.91 105.19 107.13 1abb n GLY 508 Ca 0.00 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.79 1abb n GLY 508 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1abb h GLU 509 N 6.84 0.01 -1.01 1.61 4.81 -1.97 -3.40 114.58 121.47 1abb h GLU 509 Ca 0.00 -0.02 0.29 0.00 -0.13 0.00 0.00 59.36 59.50 1abb h GLU 509 Cb 0.00 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1abb h GLU 509 CO 0.00 1.01 0.97 -1.91 -0.73 0.00 0.00 179.01 178.35 1abb n GLU 510 N -4.48 0.01 -0.34 1.92 2.13 -1.26 -1.14 120.64 117.47 1abb n GLU 510 Ca -0.22 0.78 0.09 0.00 0.66 0.00 0.00 57.16 58.47 1abb n GLU 510 Cb 0.61 -1.90 0.26 0.00 0.27 0.00 0.00 31.44 30.67 1abb n GLU 510 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 1abb h TYR 511 N 0.00 1.00 0.00 4.31 -0.00 -1.81 0.17 116.97 120.63 1abb h TYR 511 Ca 0.48 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 59.24 1abb h TYR 511 Cb 2.42 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 38.85 1abb h TYR 511 CO 0.00 0.30 0.00 0.82 -0.00 0.00 0.00 178.16 179.28 1abb h ILE 512 N 0.81 0.00 -0.19 -0.90 2.04 -1.47 0.13 117.51 117.93 1abb h ILE 512 Ca 0.51 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 1abb h ILE 512 Cb 0.66 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1abb h ILE 512 CO -0.33 0.00 -0.03 -0.24 0.00 0.00 0.00 178.15 177.55 1abb n SER 513 N -2.72 3.17 -2.71 1.72 2.88 0.46 -4.71 113.62 111.71 1abb n SER 513 Ca 0.01 -3.18 -0.05 0.00 -1.33 0.00 0.00 58.87 54.32 1abb n SER 513 Cb 0.23 -0.52 0.05 0.00 -0.75 0.00 0.00 64.21 63.21 1abb n SER 513 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1abb n ASP 514 N -0.89 -2.22 0.32 -3.46 -0.08 0.39 -5.07 116.55 105.54 1abb n ASP 514 Ca 0.21 -2.33 0.22 0.00 -1.51 0.00 0.00 54.79 51.38 1abb n ASP 514 Cb 0.83 1.26 1.12 0.00 2.34 0.00 0.00 41.12 46.68 1abb n ASP 514 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1abb h LEU 515 N 3.92 0.00 -0.33 -2.67 5.85 -1.60 -3.00 115.31 117.49 1abb h LEU 515 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1abb h LEU 515 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1abb h LEU 515 CO 0.03 0.00 0.00 -0.67 -0.34 0.00 0.00 178.44 177.46 1abb n ASP 516 N -3.04 0.57 0.26 1.25 -0.08 -1.26 -2.01 116.55 112.24 1abb n ASP 516 Ca -0.02 0.60 0.13 0.00 -1.51 0.00 0.00 54.79 53.99 1abb n ASP 516 Cb 0.10 -0.74 0.58 0.00 2.34 0.00 0.00 41.12 43.40 1abb n ASP 516 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1abb h GLN 517 N 0.00 0.00 -1.36 -0.67 4.15 -1.87 -0.67 115.11 114.70 1abb h GLN 517 Ca 0.00 0.00 0.39 0.00 0.77 0.00 0.00 58.65 59.81 1abb h GLN 517 Cb 0.48 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.11 1abb h GLN 517 CO 0.00 0.00 0.97 -0.07 -1.93 0.00 0.00 178.83 177.80 1abb h LEU 518 N 0.00 0.01 -2.67 -2.39 -0.00 -1.59 -1.25 115.31 107.42 1abb h LEU 518 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1abb h LEU 518 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1abb h LEU 518 CO -0.00 -0.00 0.01 0.03 -0.00 0.00 0.00 178.44 178.47 1abb h ARG 519 N 0.01 0.00 -0.04 1.13 3.08 0.96 -0.71 114.38 118.81 1abb h ARG 519 Ca 0.65 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.71 1abb h ARG 519 Cb 2.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.63 1abb h ARG 519 CO -0.02 0.00 0.13 0.87 -1.07 0.00 0.00 179.97 179.88 1abb h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.49 0.27 116.57 116.96 1abb h LYS 520 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1abb h LYS 520 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1abb h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1abb n LEU 521 N -3.22 0.01 -0.06 2.94 4.32 -0.27 -2.22 117.00 118.50 1abb n LEU 521 Ca -0.02 0.50 -0.10 0.00 -0.02 0.00 0.00 56.01 56.37 1abb n LEU 521 Cb 0.20 -0.50 -0.04 0.00 -1.62 0.00 0.00 43.42 41.46 1abb n LEU 521 CO 0.20 -0.06 0.88 0.25 -1.22 0.00 0.00 177.39 177.44 1abb h LEU 522 N 0.00 0.27 0.00 2.23 5.85 -0.62 -0.65 115.31 122.40 1abb h LEU 522 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1abb h LEU 522 Cb 0.45 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1abb h LEU 522 CO 0.00 0.33 0.16 -1.20 -0.34 0.00 0.00 178.44 177.40 1abb n SER 523 N -4.85 0.00 -0.45 1.25 7.64 -0.94 0.36 113.62 116.63 1abb n SER 523 Ca -0.04 0.18 0.04 0.00 1.01 0.00 0.00 58.87 60.06 1abb n SER 523 Cb 0.10 -0.18 0.10 0.00 -1.01 0.00 0.00 64.21 63.23 1abb n SER 523 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1abb n TYR 524 N -1.10 0.31 -0.17 1.43 4.02 -0.25 -4.80 117.16 116.60 1abb n TYR 524 Ca 0.00 -0.46 0.28 0.00 -0.01 0.00 0.00 57.90 57.71 1abb n TYR 524 Cb 0.16 -0.03 0.72 0.00 -0.02 0.00 0.00 39.34 40.17 1abb n TYR 524 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1abb h VAL 525 N 1.47 0.57 0.00 -0.72 2.07 -0.13 -2.49 116.25 117.02 1abb h VAL 525 Ca 0.00 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1abb h VAL 525 Cb 0.64 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1abb h VAL 525 CO 0.00 0.00 -1.85 0.47 0.02 0.00 0.00 177.57 176.21 1abb n ASP 526 N -4.28 1.19 -4.77 0.57 8.00 -1.26 -4.87 116.55 111.13 1abb n ASP 526 Ca 0.18 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 1abb n ASP 526 Cb 0.94 1.51 -0.01 0.00 -0.02 0.00 0.00 41.12 43.54 1abb n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1abb s ASP 527 N -4.20 6.37 0.00 -2.24 2.15 -0.94 -4.87 116.67 112.94 1abb s ASP 527 Ca -0.07 2.99 0.30 0.00 0.43 0.00 0.00 52.55 56.21 1abb s ASP 527 Cb 0.09 -2.65 1.62 0.00 -0.30 0.00 0.00 42.92 41.67 1abb s ASP 527 CO 0.68 -0.88 2.09 -0.62 -0.17 0.00 0.00 175.17 176.27 1abb n GLU 528 N 1.26 0.59 0.00 4.34 1.02 -1.26 -2.43 120.64 124.16 1abb n GLU 528 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1abb n GLU 528 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1abb n GLU 528 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1abb n ALA 529 N -1.20 0.00 -0.36 0.62 0.00 -1.26 -2.43 120.51 115.88 1abb n ALA 529 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1abb n ALA 529 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 1abb n ALA 529 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1abb n PHE 530 N -0.34 -0.15 -0.30 0.00 -0.00 -1.24 0.11 117.46 115.55 1abb n PHE 530 Ca 0.00 1.12 0.17 0.00 -0.00 0.00 0.00 57.45 58.74 1abb n PHE 530 Cb 0.00 -0.73 0.43 0.00 -0.00 0.00 0.00 39.48 39.18 1abb n PHE 530 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1abb h ILE 531 N 0.00 0.68 0.23 -2.13 2.04 -1.62 0.57 117.51 117.28 1abb h ILE 531 Ca 0.25 -0.19 -0.31 0.00 1.00 0.00 0.00 64.86 65.60 1abb h ILE 531 Cb 0.47 0.07 0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1abb h ILE 531 CO -0.88 0.10 -1.37 0.08 0.00 0.00 0.00 178.15 176.08 1abb h ARG 532 N 0.56 0.49 0.10 2.37 0.11 0.11 -3.13 114.38 114.98 1abb h ARG 532 Ca 0.53 -0.83 0.01 0.00 0.10 0.00 0.00 59.98 59.78 1abb h ARG 532 Cb 1.09 0.31 -0.03 0.00 1.11 0.00 0.00 29.97 32.45 1abb h ARG 532 CO -0.27 1.40 -0.37 -0.44 0.10 0.00 0.00 179.97 180.39 1abb h ASP 533 N 0.04 -1.11 -0.15 0.08 3.32 0.92 0.26 116.42 119.77 1abb h ASP 533 Ca -0.24 0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1abb h ASP 533 Cb 2.07 0.41 -0.05 0.00 0.22 0.00 0.00 39.33 41.98 1abb h ASP 533 CO 0.25 -0.40 -0.37 0.58 -1.72 0.00 0.00 179.24 177.58 1abb h VAL 534 N -0.54 0.00 0.00 -1.35 2.07 -1.08 1.05 116.25 116.40 1abb h VAL 534 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1abb h VAL 534 Cb 0.54 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1abb h VAL 534 CO -0.20 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.39 1abb n ALA 535 N -2.90 1.70 0.04 1.67 0.00 -0.77 -1.41 120.51 118.85 1abb n ALA 535 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1abb n ALA 535 Cb 0.25 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 1abb n ALA 535 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1abb h LYS 536 N 0.00 -0.12 -0.42 0.00 1.63 0.45 -2.22 116.57 115.89 1abb h LYS 536 Ca 0.00 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.89 1abb h LYS 536 Cb 0.09 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 31.66 1abb h LYS 536 CO 0.00 -0.08 -0.37 0.28 -3.45 0.00 0.00 179.45 175.83 1abb h VAL 537 N -0.34 0.17 -0.17 2.00 2.07 -0.13 1.30 116.25 121.14 1abb h VAL 537 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1abb h VAL 537 Cb 0.09 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1abb h VAL 537 CO 0.02 0.00 0.17 0.50 0.02 0.00 0.00 177.57 178.28 1abb h LYS 538 N -0.28 0.00 -0.03 1.57 1.63 -1.38 0.70 116.57 118.78 1abb h LYS 538 Ca 0.16 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.78 1abb h LYS 538 Cb 0.56 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 1abb h LYS 538 CO -0.57 0.00 -0.77 0.37 -3.45 0.00 0.00 179.45 175.03 1abb h GLN 539 N 0.00 0.25 0.05 1.90 4.15 0.22 -2.80 115.11 118.88 1abb h GLN 539 Ca 0.08 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1abb h GLN 539 Cb 0.42 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 1abb h GLN 539 CO -0.00 0.91 -0.03 0.93 -1.93 0.00 0.00 178.83 178.71 1abb h GLU 540 N 0.16 -0.07 -0.74 1.69 3.07 0.33 -2.38 114.58 116.64 1abb h GLU 540 Ca -0.03 0.01 0.15 0.00 -0.50 0.00 0.00 59.36 58.98 1abb h GLU 540 Cb 1.35 0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 29.14 1abb h GLU 540 CO 0.12 -0.05 -0.20 -0.91 -1.40 0.00 0.00 179.01 176.57 1abb h ASN 541 N -0.08 -0.75 0.77 1.42 -0.26 -0.97 0.61 115.58 116.32 1abb h ASN 541 Ca -0.01 0.23 -0.05 0.00 -0.56 0.00 0.00 56.30 55.91 1abb h ASN 541 Cb 0.06 0.48 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 1abb h ASN 541 CO 0.01 -0.25 -0.25 0.11 -1.06 0.00 0.00 177.43 175.99 1abb h LYS 542 N -0.02 0.00 0.10 0.81 1.57 -1.52 -2.56 116.57 114.95 1abb h LYS 542 Ca 0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1abb h LYS 542 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1abb h LYS 542 CO -0.77 0.25 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.24 1abb h LEU 543 N 0.00 -0.11 0.10 2.94 -0.00 0.76 -0.18 115.31 118.82 1abb h LEU 543 Ca -0.00 -0.40 0.01 0.00 -0.00 0.00 0.00 57.88 57.48 1abb h LEU 543 Cb 0.70 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.35 1abb h LEU 543 CO 0.03 0.38 -0.39 0.11 -0.00 0.00 0.00 178.44 178.57 1abb h LYS 544 N -0.63 -0.54 -0.03 1.13 1.57 -1.12 0.58 116.57 117.53 1abb h LYS 544 Ca -0.01 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1abb h LYS 544 Cb 0.51 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1abb h LYS 544 CO 0.02 -0.36 0.03 0.35 -0.57 0.00 0.00 179.45 178.92 1abb h PHE 545 N -0.56 0.00 0.00 -1.35 3.04 -1.56 1.17 116.94 117.67 1abb h PHE 545 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1abb h PHE 545 Cb 0.56 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1abb h PHE 545 CO -0.41 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 175.88 1abb n ALA 546 N -2.38 2.56 -0.11 2.41 0.00 0.19 -1.53 120.51 121.64 1abb n ALA 546 Ca -0.02 -0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 1abb n ALA 546 Cb 0.12 -1.49 -0.11 0.00 0.00 0.00 0.00 19.45 17.97 1abb n ALA 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1abb n ALA 547 N -1.14 1.14 -0.34 0.00 0.00 0.39 -4.32 120.51 116.25 1abb n ALA 547 Ca 0.19 -0.92 0.27 0.00 0.00 0.00 0.00 53.44 52.98 1abb n ALA 547 Cb 0.17 -0.17 0.57 0.00 0.00 0.00 0.00 19.45 20.01 1abb n ALA 547 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1abb h TYR 548 N -0.59 0.53 0.00 0.00 3.20 -0.99 0.34 116.97 119.46 1abb h TYR 548 Ca -0.57 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.32 1abb h TYR 548 Cb 1.69 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.81 1abb h TYR 548 CO 0.00 0.02 0.00 1.28 -1.64 0.00 0.00 178.16 177.82 1abb n LEU 549 N -4.56 0.22 0.00 2.82 4.32 -0.58 -2.38 117.00 116.84 1abb n LEU 549 Ca 0.27 -0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1abb n LEU 549 Cb 1.01 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.70 1abb n LEU 549 CO 0.27 0.06 -0.06 -0.62 -1.22 0.00 0.00 177.39 175.82 1abb n GLU 550 N -0.18 0.14 0.06 3.23 -0.58 0.11 -1.69 120.64 121.73 1abb n GLU 550 Ca 0.00 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 1abb n GLU 550 Cb 0.06 -0.56 -0.14 0.00 -0.57 0.00 0.00 31.44 30.23 1abb n GLU 550 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1abb h ARG 551 N 0.00 0.29 -3.94 3.49 2.43 -1.08 -3.39 114.38 112.17 1abb h ARG 551 Ca 0.00 -0.49 -0.56 0.00 -0.81 0.00 0.00 59.98 58.12 1abb h ARG 551 Cb 0.11 0.18 -0.39 0.00 -0.42 0.00 0.00 29.97 29.46 1abb h ARG 551 CO 0.00 1.16 -0.78 -1.21 -1.51 0.00 0.00 179.97 177.64 1abb s GLU 552 N -2.61 1.13 0.00 0.20 2.02 -1.00 -4.97 118.70 113.47 1abb s GLU 552 Ca -0.11 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1abb s GLU 552 Cb 0.06 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.98 1abb s GLU 552 CO 0.85 -0.61 0.00 0.66 0.02 0.00 0.00 175.26 176.19 1abb n TYR 553 N 4.87 0.00 -3.73 1.61 4.01 -1.26 -4.46 117.16 118.20 1abb n TYR 553 Ca -0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.50 1abb n TYR 553 Cb 0.46 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.40 1abb n TYR 553 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1abb s LYS 554 N -2.18 0.68 0.19 -0.72 3.01 -1.25 -3.32 119.74 116.15 1abb s LYS 554 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 55.97 54.91 1abb s LYS 554 Cb 0.00 0.31 0.00 0.00 -1.01 0.00 0.00 37.83 37.13 1abb s LYS 554 CO 0.00 -0.18 0.00 1.33 0.51 0.00 0.00 175.35 177.01 1abb n VAL 555 N 1.46 0.00 0.00 3.17 0.24 -0.68 -4.87 118.33 117.65 1abb n VAL 555 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1abb n VAL 555 Cb 0.56 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1abb n VAL 555 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1abb n HIS 556 N -2.88 0.00 0.00 6.34 -0.00 -1.26 -5.13 115.22 112.29 1abb n HIS 556 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1abb n HIS 556 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1abb n HIS 556 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1abb n ILE 557 N 0.00 0.00 -3.40 3.57 2.08 -1.26 -5.02 119.36 115.33 1abb n ILE 557 Ca 0.00 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.32 1abb n ILE 557 Cb 0.00 -0.68 -0.03 0.00 -0.75 0.00 0.00 39.64 38.18 1abb n ILE 557 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1abb s ASN 558 N -1.36 -1.26 0.63 4.38 3.84 -1.26 -5.04 114.94 114.86 1abb s ASN 558 Ca 0.00 1.23 0.40 0.00 0.21 0.00 0.00 52.86 54.70 1abb s ASN 558 Cb 0.00 2.24 2.08 0.00 -0.55 0.00 0.00 41.25 45.02 1abb s ASN 558 CO 0.00 -0.24 2.25 -0.65 -2.79 0.00 0.00 177.10 175.68 1abb h PRO 559 N 8.00 0.00 0.00 0.43 0.11 -1.94 -2.65 132.00 135.95 1abb h PRO 559 Ca -0.20 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.73 1abb h PRO 559 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1abb h PRO 559 CO 0.18 0.01 -0.84 -0.91 -0.21 0.00 0.00 178.00 176.23 1abb h ASN 560 N 0.00 0.03 -3.12 -2.05 4.21 -1.97 -3.46 115.58 109.22 1abb h ASN 560 Ca -0.00 -0.03 -0.41 0.00 1.21 0.00 0.00 56.30 57.07 1abb h ASN 560 Cb 0.15 -0.01 0.22 0.00 -1.12 0.00 0.00 38.32 37.55 1abb h ASN 560 CO 0.00 0.85 -0.05 -0.44 -1.29 0.00 0.00 177.43 176.50 1abb s SER 561 N -6.79 0.05 -0.14 5.81 0.01 -1.00 -4.95 113.70 106.68 1abb s SER 561 Ca -0.00 1.26 -0.29 0.00 1.31 0.00 0.00 55.95 58.23 1abb s SER 561 Cb 0.11 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 1abb s SER 561 CO 0.80 -4.74 1.44 -0.76 0.41 0.00 0.00 173.24 170.39 1abb s LEU 562 N -7.52 4.17 -0.45 2.44 1.43 -1.11 -4.91 118.68 112.73 1abb s LEU 562 Ca 0.69 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.49 1abb s LEU 562 Cb -0.21 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.55 1abb s LEU 562 CO 0.63 -0.90 0.33 -0.36 0.23 0.00 0.00 176.35 176.28 1abb s PHE 563 N 3.95 3.29 -0.87 0.29 0.08 -1.25 0.02 117.98 123.49 1abb s PHE 563 Ca 0.63 -1.24 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 1abb s PHE 563 Cb -0.26 -3.08 0.20 0.00 -0.57 0.00 0.00 43.02 39.31 1abb s PHE 563 CO 0.22 -0.83 0.89 0.34 -0.10 0.00 0.00 175.22 175.74 1abb s ASP 564 N 2.39 6.76 -0.04 1.36 2.15 -0.67 0.02 116.67 128.63 1abb s ASP 564 Ca 0.04 -2.56 0.05 0.00 0.43 0.00 0.00 52.55 50.51 1abb s ASP 564 Cb -0.24 -2.26 -0.01 0.00 -0.30 0.00 0.00 42.92 40.11 1abb s ASP 564 CO 0.04 -0.70 -0.18 0.54 -0.17 0.00 0.00 175.17 174.70 1abb s VAL 565 N 0.82 1.53 -0.19 1.11 0.11 0.23 -0.42 120.40 123.58 1abb s VAL 565 Ca 0.23 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1abb s VAL 565 Cb -0.08 -1.31 0.04 0.00 -1.53 0.00 0.00 36.38 33.49 1abb s VAL 565 CO -0.09 0.44 -0.14 -1.58 -3.33 0.00 0.00 175.10 170.40 1abb s GLN 566 N -0.04 2.39 -0.39 1.54 0.74 -0.56 -1.11 119.66 122.23 1abb s GLN 566 Ca -0.03 -0.88 0.01 0.00 0.05 0.00 0.00 55.36 54.52 1abb s GLN 566 Cb -0.11 -2.49 0.13 0.00 1.10 0.00 0.00 33.01 31.64 1abb s GLN 566 CO 0.02 -0.36 0.21 0.14 -0.55 0.00 0.00 175.29 174.75 1abb s VAL 567 N 1.33 0.90 0.02 1.34 -7.23 -1.25 0.12 120.40 115.63 1abb s VAL 567 Ca 0.00 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 1abb s VAL 567 Cb -0.15 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1abb s VAL 567 CO -0.09 -0.89 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.19 1abb s LYS 568 N 0.78 0.49 0.24 4.82 -0.14 -0.61 -4.95 119.74 120.36 1abb s LYS 568 Ca 0.17 -0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 54.02 1abb s LYS 568 Cb -0.23 -0.38 -0.15 0.00 -1.68 0.00 0.00 37.83 35.39 1abb s LYS 568 CO -0.03 0.09 1.01 -2.13 -0.76 0.00 0.00 175.35 173.52 1abb n ARG 569 N 2.26 1.12 -0.82 1.68 0.63 -1.26 -4.21 116.66 116.05 1abb n ARG 569 Ca -0.17 0.39 -0.15 0.00 -0.92 0.00 0.00 57.85 57.00 1abb n ARG 569 Cb 0.56 -1.77 -0.09 0.00 0.45 0.00 0.00 32.46 31.61 1abb n ARG 569 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1abb n ILE 570 N 0.65 2.57 -3.47 5.15 2.08 -1.11 -4.78 119.36 120.45 1abb n ILE 570 Ca 0.12 -1.38 -0.35 0.00 0.56 0.00 0.00 62.75 61.70 1abb n ILE 570 Cb 0.28 -2.02 -0.06 0.00 -0.75 0.00 0.00 39.64 37.09 1abb n ILE 570 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1abb s HIS 571 N 1.94 3.60 0.21 1.39 2.46 -1.26 -4.55 115.29 119.08 1abb s HIS 571 Ca 0.51 0.93 0.03 0.00 0.47 0.00 0.00 55.06 57.00 1abb s HIS 571 Cb 0.21 -2.27 0.56 0.00 -0.13 0.00 0.00 32.58 30.95 1abb s HIS 571 CO -0.01 0.48 1.02 0.39 -2.47 0.00 0.00 174.74 174.15 1abb n GLU 572 N 0.90 -0.05 0.00 2.88 1.02 -1.26 0.36 120.64 124.49 1abb n GLU 572 Ca -0.07 0.97 0.14 0.00 -0.02 0.00 0.00 57.16 58.18 1abb n GLU 572 Cb 0.52 -1.57 0.79 0.00 -0.02 0.00 0.00 31.44 31.17 1abb n GLU 572 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1abb n TYR 573 N -4.80 0.00 -0.00 -0.32 4.11 -1.26 -2.76 117.16 112.12 1abb n TYR 573 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 58.03 1abb n TYR 573 Cb 0.56 -0.09 -0.11 0.00 -0.00 0.00 0.00 39.34 39.69 1abb n TYR 573 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1abb n LYS 574 N -1.09 0.63 -1.16 -3.48 3.00 0.16 -3.50 118.16 112.71 1abb n LYS 574 Ca 0.19 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1abb n LYS 574 Cb 0.13 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.40 1abb n LYS 574 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1abb n ARG 575 N -2.91 0.00 -0.21 1.64 1.74 -1.11 -3.81 116.66 112.01 1abb n ARG 575 Ca -0.14 0.29 0.01 0.00 -0.77 0.00 0.00 57.85 57.23 1abb n ARG 575 Cb 0.94 -3.33 0.04 0.00 -1.02 0.00 0.00 32.46 29.10 1abb n ARG 575 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1abb n GLN 576 N -2.24 -0.10 -0.19 5.56 1.13 -1.26 -0.14 117.38 120.14 1abb n GLN 576 Ca 0.00 0.86 0.09 0.00 -1.94 0.00 0.00 57.00 56.01 1abb n GLN 576 Cb 0.15 -1.28 0.38 0.00 0.11 0.00 0.00 30.24 29.60 1abb n GLN 576 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1abb h LEU 577 N 0.00 0.62 0.16 1.08 3.38 -1.95 0.17 115.31 118.78 1abb h LEU 577 Ca 0.22 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1abb h LEU 577 Cb 0.36 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1abb h LEU 577 CO -0.56 0.38 -0.46 0.25 0.09 0.00 0.00 178.44 178.14 1abb h LEU 578 N 0.69 -1.36 -2.01 1.67 5.85 -0.94 -1.90 115.31 117.31 1abb h LEU 578 Ca 0.34 0.14 0.13 0.00 0.84 0.00 0.00 57.88 59.33 1abb h LEU 578 Cb 0.41 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1abb h LEU 578 CO -0.12 -0.50 0.43 -1.13 -0.34 0.00 0.00 178.44 176.77 1abb h ASN 579 N -0.70 0.00 1.60 1.25 -0.00 -0.89 0.19 115.58 117.03 1abb h ASN 579 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.24 1abb h ASN 579 Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.99 1abb h ASN 579 CO -0.22 0.00 -0.41 0.00 -0.00 0.00 0.00 177.43 176.80 1abb h LEU 581 N 0.00 0.20 -0.90 0.00 3.38 -0.08 -0.32 115.31 117.59 1abb h LEU 581 Ca -0.01 -0.64 0.13 0.00 0.09 0.00 0.00 57.88 57.45 1abb h LEU 581 Cb 1.16 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1abb h LEU 581 CO 0.02 0.81 0.51 -0.74 0.09 0.00 0.00 178.44 179.13 1abb h HIS 582 N -0.39 0.91 0.04 1.13 2.76 -1.48 0.94 115.15 119.06 1abb h HIS 582 Ca -0.01 0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 57.97 1abb h HIS 582 Cb 0.80 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 1abb h HIS 582 CO 0.14 0.29 -1.06 0.28 -1.30 0.00 0.00 177.93 176.27 1abb h VAL 583 N 0.76 1.64 0.00 5.26 2.07 -1.48 -1.79 116.25 122.72 1abb h VAL 583 Ca 0.47 -3.27 -0.03 0.00 0.82 0.00 0.00 66.70 64.69 1abb h VAL 583 Cb 0.58 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1abb h VAL 583 CO -0.32 0.94 -0.13 0.40 0.02 0.00 0.00 177.57 178.48 1abb h ILE 584 N 0.03 0.55 0.31 4.57 2.04 0.21 -1.95 117.51 123.26 1abb h ILE 584 Ca -0.05 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1abb h ILE 584 Cb 1.81 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1abb h ILE 584 CO 0.15 0.13 -0.15 0.74 0.00 0.00 0.00 178.15 179.02 1abb h THR 585 N 0.00 0.71 0.34 -0.27 2.02 0.10 -2.15 112.91 113.66 1abb h THR 585 Ca -0.00 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1abb h THR 585 Cb 0.40 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1abb h THR 585 CO 0.02 0.10 -0.45 -0.07 0.37 0.00 0.00 175.52 175.49 1abb h LEU 586 N -0.71 -1.26 -0.89 2.58 4.07 -1.14 -1.96 115.31 115.99 1abb h LEU 586 Ca -0.04 0.12 0.25 0.00 0.08 0.00 0.00 57.88 58.28 1abb h LEU 586 Cb 0.49 0.44 -0.15 0.00 1.08 0.00 0.00 40.66 42.52 1abb h LEU 586 CO 0.07 -0.58 0.21 0.22 -1.08 0.00 0.00 178.44 177.28 1abb h TYR 587 N -0.84 0.30 0.93 1.13 3.20 -1.35 -0.36 116.97 119.98 1abb h TYR 587 Ca -0.03 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1abb h TYR 587 Cb 0.77 0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.06 1abb h TYR 587 CO -0.29 -0.26 -0.45 -0.91 -1.64 0.00 0.00 178.16 174.62 1abb h ASN 588 N 0.16 -1.06 0.00 -2.11 2.35 -1.11 -2.34 115.58 111.48 1abb h ASN 588 Ca 0.57 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.35 1abb h ASN 588 Cb 1.17 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.81 1abb h ASN 588 CO -0.70 -0.75 0.00 0.54 -1.65 0.00 0.00 177.43 174.87 1abb n ARG 589 N -5.36 0.00 -0.29 0.81 1.74 -0.16 0.88 116.66 114.27 1abb n ARG 589 Ca -0.15 0.75 0.17 0.00 -0.77 0.00 0.00 57.85 57.85 1abb n ARG 589 Cb 0.49 -1.35 0.33 0.00 -1.02 0.00 0.00 32.46 30.90 1abb n ARG 589 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1abb n ILE 590 N -2.24 -0.36 0.22 0.55 5.41 -1.10 0.18 119.36 122.01 1abb n ILE 590 Ca 0.00 1.86 0.11 0.00 1.00 0.00 0.00 62.75 65.71 1abb n ILE 590 Cb 0.00 -2.79 0.31 0.00 -0.71 0.00 0.00 39.64 36.44 1abb n ILE 590 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1abb h LYS 591 N 0.00 0.00 0.22 0.38 3.64 0.11 -1.92 116.57 118.99 1abb h LYS 591 Ca 0.58 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.64 1abb h LYS 591 Cb 1.33 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1abb h LYS 591 CO -0.77 0.15 -1.42 -0.22 -2.27 0.00 0.00 179.45 174.92 1abb h LYS 592 N 0.00 0.56 -2.32 1.90 3.64 0.84 -3.38 116.57 117.81 1abb h LYS 592 Ca -0.00 -0.89 -0.72 0.00 -1.27 0.00 0.00 60.65 57.77 1abb h LYS 592 Cb 0.92 0.32 -0.33 0.00 -0.41 0.00 0.00 32.23 32.73 1abb h LYS 592 CO 0.02 1.42 0.32 0.39 -2.27 0.00 0.00 179.45 179.33 1abb n GLU 593 N -3.73 4.40 0.13 1.90 -0.58 -0.07 -4.94 120.64 117.76 1abb n GLU 593 Ca -0.16 -4.73 0.05 0.00 -0.42 0.00 0.00 57.16 51.90 1abb n GLU 593 Cb 1.08 -2.38 0.27 0.00 -0.57 0.00 0.00 31.44 29.84 1abb n GLU 593 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1abb n PRO 594 N 0.06 0.07 -0.05 3.49 -0.02 -0.73 -1.24 135.00 136.58 1abb n PRO 594 Ca 0.38 0.51 0.03 0.00 -2.02 0.00 0.00 63.50 62.40 1abb n PRO 594 Cb 0.32 -2.03 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1abb n PRO 594 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1abb n ASN 595 N -1.89 1.98 -4.74 2.55 3.02 -1.26 -4.98 115.26 109.95 1abb n ASN 595 Ca -0.01 -1.60 -0.41 0.00 -0.03 0.00 0.00 54.58 52.53 1abb n ASN 595 Cb 0.32 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 1abb n ASN 595 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1abb s LYS 596 N -0.74 4.42 -0.34 3.52 2.36 -0.38 -4.91 119.74 123.67 1abb s LYS 596 Ca 0.10 1.99 -0.28 0.00 -2.55 0.00 0.00 55.97 55.23 1abb s LYS 596 Cb 0.06 -3.22 -0.04 0.00 -1.05 0.00 0.00 37.83 33.59 1abb s LYS 596 CO 0.08 -0.21 2.02 0.12 1.55 0.00 0.00 175.35 178.91 1abb s PHE 597 N 0.15 1.49 -0.17 4.03 5.36 -1.26 -4.93 117.98 122.64 1abb s PHE 597 Ca 0.56 0.73 0.01 0.00 -0.96 0.00 0.00 56.93 57.27 1abb s PHE 597 Cb -0.35 -3.99 0.02 0.00 -0.34 0.00 0.00 43.02 38.36 1abb s PHE 597 CO 0.37 -3.21 -0.20 0.54 -1.46 0.00 0.00 175.22 171.26 1abb s VAL 598 N 8.26 2.01 -0.07 3.12 0.11 -1.26 -5.08 120.40 127.49 1abb s VAL 598 Ca 0.88 -0.91 -0.31 0.00 -2.93 0.00 0.00 61.98 58.70 1abb s VAL 598 Cb -0.24 -1.81 -0.09 0.00 -1.53 0.00 0.00 36.38 32.70 1abb s VAL 598 CO 0.32 0.53 2.01 0.52 -3.33 0.00 0.00 175.10 175.15 1abb n VAL 599 N 4.58 0.61 -1.60 2.04 0.31 -1.26 -4.90 118.33 118.11 1abb n VAL 599 Ca -0.20 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 63.63 1abb n VAL 599 Cb 0.50 -2.21 0.08 0.00 -0.91 0.00 0.00 33.84 31.30 1abb n VAL 599 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1abb s PRO 600 N 4.81 2.25 -0.01 5.55 0.04 -1.26 -4.97 135.00 141.41 1abb s PRO 600 Ca 0.93 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 1abb s PRO 600 Cb -0.51 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1abb s PRO 600 CO 0.44 -1.50 0.05 1.03 0.04 0.00 0.00 177.00 177.06 1abb s ARG 601 N -5.18 0.15 -0.24 4.56 0.52 -0.55 -2.76 118.95 115.46 1abb s ARG 601 Ca 0.60 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 1abb s ARG 601 Cb -0.14 0.06 0.03 0.00 0.52 0.00 0.00 34.95 35.43 1abb s ARG 601 CO 0.54 -0.03 -0.10 0.99 0.02 0.00 0.00 175.30 176.72 1abb s THR 602 N -0.37 2.52 -0.23 0.02 2.01 0.10 -2.07 115.64 117.63 1abb s THR 602 Ca -0.04 -1.16 -0.09 0.00 0.31 0.00 0.00 61.69 60.71 1abb s THR 602 Cb -0.03 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1abb s THR 602 CO 0.00 0.22 0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 1abb s VAL 603 N 1.26 4.91 -0.23 3.82 1.01 0.38 -1.68 120.40 129.88 1abb s VAL 603 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1abb s VAL 603 Cb -0.17 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1abb s VAL 603 CO -0.07 0.36 -0.01 -0.04 0.00 0.00 0.00 175.10 175.35 1abb s MET 604 N 1.10 1.22 -0.15 2.72 -1.94 0.44 -0.15 119.30 122.53 1abb s MET 604 Ca 0.06 -0.80 -0.07 0.00 -1.71 0.00 0.00 55.69 53.17 1abb s MET 604 Cb -0.14 -2.40 -0.04 0.00 2.01 0.00 0.00 34.83 34.26 1abb s MET 604 CO 0.04 -0.64 0.08 0.42 -0.01 0.00 0.00 175.02 174.91 1abb s ILE 605 N 1.57 4.96 -0.13 2.53 1.01 -0.49 -1.50 121.20 129.15 1abb s ILE 605 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 1abb s ILE 605 Cb -0.18 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.14 1abb s ILE 605 CO -0.08 0.53 0.34 -0.83 0.00 0.00 0.00 174.94 174.90 1abb s GLY 606 N -0.24 -0.25 0.00 6.18 0.00 0.32 -2.56 107.32 110.77 1abb s GLY 606 Ca 0.09 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.91 1abb s GLY 606 CO 0.01 1.11 0.00 0.61 0.00 0.00 0.00 173.10 174.84 1abb n GLY 607 N 3.49 -1.62 3.50 0.20 0.00 -1.26 -1.58 105.19 107.92 1abb n GLY 607 Ca -0.18 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 1abb n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abb s LYS 608 N -1.77 3.22 0.00 1.61 1.02 -1.26 -4.69 119.74 117.86 1abb s LYS 608 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1abb s LYS 608 Cb 0.00 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1abb s LYS 608 CO 0.00 0.41 0.00 0.00 -0.92 0.00 0.00 175.35 174.84 1abb n ALA 609 N 2.98 0.00 0.00 5.17 0.00 -1.26 -2.73 120.51 124.66 1abb n ALA 609 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1abb n ALA 609 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1abb n ALA 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1abb n ALA 610 N -3.00 0.00 -1.77 0.00 0.00 -1.26 -4.45 120.51 110.03 1abb n ALA 610 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1abb n ALA 610 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1abb n ALA 610 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1abb s PRO 611 N 0.00 4.28 0.00 0.00 0.02 -1.26 -1.69 135.00 136.35 1abb s PRO 611 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1abb s PRO 611 Cb 0.00 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.64 1abb s PRO 611 CO 0.00 -0.13 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 1abb n GLY 612 N 0.80 2.89 3.56 0.52 0.00 -1.26 -4.94 105.19 106.75 1abb n GLY 612 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1abb n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1abb s TYR 613 N -2.68 2.79 0.18 1.61 5.04 -0.68 -4.88 117.35 118.72 1abb s TYR 613 Ca 0.00 0.31 0.03 0.00 -2.44 0.00 0.00 57.07 54.97 1abb s TYR 613 Cb 0.00 -4.19 0.03 0.00 0.35 0.00 0.00 41.96 38.15 1abb s TYR 613 CO 0.00 -1.32 1.41 1.25 -1.34 0.00 0.00 175.55 175.55 1abb h HIS 614 N 9.28 0.29 0.94 4.97 -0.00 -1.92 -0.71 115.15 128.00 1abb h HIS 614 Ca -0.25 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.37 59.93 1abb h HIS 614 Cb 1.07 -0.03 0.01 0.00 -0.00 0.00 0.00 27.41 28.45 1abb h HIS 614 CO 0.94 0.94 -0.45 1.98 -0.00 0.00 0.00 177.93 181.34 1abb h MET 615 N 0.11 -1.21 -0.98 5.26 -1.53 -1.98 -0.25 114.93 114.35 1abb h MET 615 Ca -0.04 0.08 0.24 0.00 -3.44 0.00 0.00 59.70 56.55 1abb h MET 615 Cb 1.44 0.28 -0.07 0.00 -0.55 0.00 0.00 31.60 32.69 1abb h MET 615 CO 0.13 -0.81 0.65 0.00 0.14 0.00 0.00 176.91 177.02 1abb h ALA 616 N -1.22 2.32 0.00 0.39 0.00 -1.80 0.31 119.26 119.26 1abb h ALA 616 Ca -0.13 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1abb h ALA 616 Cb 0.96 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1abb h ALA 616 CO 0.21 -0.66 -0.42 0.87 0.00 0.00 0.00 179.25 179.25 1abb h LYS 617 N 0.35 0.00 -0.18 0.00 1.57 -0.75 -3.05 116.57 114.51 1abb h LYS 617 Ca 0.53 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.10 1abb h LYS 617 Cb 1.43 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.74 1abb h LYS 617 CO -0.20 0.42 -0.71 0.52 -0.57 0.00 0.00 179.45 178.90 1abb h MET 618 N 0.00 0.78 0.15 3.15 2.86 0.14 -3.07 114.93 118.95 1abb h MET 618 Ca -0.00 -0.60 -0.01 0.00 -2.06 0.00 0.00 59.70 57.03 1abb h MET 618 Cb 0.83 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1abb h MET 618 CO 0.05 1.21 -0.07 0.82 1.06 0.00 0.00 176.91 179.98 1abb h ILE 619 N 0.56 0.89 0.00 -1.22 2.04 -1.36 0.92 117.51 119.34 1abb h ILE 619 Ca -0.03 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1abb h ILE 619 Cb 1.33 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1abb h ILE 619 CO 0.15 0.04 -0.02 0.40 0.00 0.00 0.00 178.15 178.71 1abb h ILE 620 N -0.28 0.15 -0.28 -0.67 2.04 -1.65 0.93 117.51 117.76 1abb h ILE 620 Ca -0.02 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 1abb h ILE 620 Cb 0.22 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1abb h ILE 620 CO 0.03 0.02 -0.22 0.50 0.00 0.00 0.00 178.15 178.49 1abb h LYS 621 N 0.00 0.64 0.08 2.37 1.63 -1.35 -2.63 116.57 117.31 1abb h LYS 621 Ca -0.00 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1abb h LYS 621 Cb 0.19 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1abb h LYS 621 CO 0.00 0.91 -0.07 1.25 -3.45 0.00 0.00 179.45 178.09 1abb h LEU 622 N 0.38 -0.19 -1.92 5.20 6.46 0.33 -2.46 115.31 123.11 1abb h LEU 622 Ca 0.05 0.01 0.31 0.00 -0.12 0.00 0.00 57.88 58.14 1abb h LEU 622 Cb 0.76 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1abb h LEU 622 CO 0.06 -0.10 0.83 0.40 -0.62 0.00 0.00 178.44 179.01 1abb h ILE 623 N -0.14 0.36 0.18 4.05 2.04 -1.03 -0.16 117.51 122.81 1abb h ILE 623 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1abb h ILE 623 Cb 0.12 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1abb h ILE 623 CO -0.01 0.00 -0.08 0.71 0.00 0.00 0.00 178.15 178.77 1abb h THR 624 N 0.00 0.00 -0.98 -0.27 1.35 -1.18 -3.21 112.91 108.61 1abb h THR 624 Ca 0.51 -0.25 0.39 0.00 -0.55 0.00 0.00 66.41 66.51 1abb h THR 624 Cb 2.17 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 68.41 1abb h THR 624 CO -0.01 0.00 0.44 0.00 -0.25 0.00 0.00 175.52 175.71 1abb n ALA 625 N -2.31 0.92 0.10 6.62 0.00 -0.14 0.10 120.51 125.81 1abb n ALA 625 Ca -0.03 1.01 -0.07 0.00 0.00 0.00 0.00 53.44 54.36 1abb n ALA 625 Cb 0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 1abb n ALA 625 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1abb h ILE 626 N 0.00 0.00 -0.64 0.00 2.04 -1.51 -2.99 117.51 114.41 1abb h ILE 626 Ca 0.79 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.78 1abb h ILE 626 Cb 2.04 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.02 1abb h ILE 626 CO -0.79 0.00 0.10 1.23 0.00 0.00 0.00 178.15 178.69 1abb h GLY 627 N -0.37 0.80 2.00 5.37 0.00 0.68 0.25 103.07 111.80 1abb h GLY 627 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1abb h GLY 627 CO -0.03 -0.16 -0.01 -0.55 0.00 0.00 0.00 176.54 175.78 1abb h ASP 628 N 0.22 0.00 0.05 0.19 3.32 -1.33 0.12 116.42 118.98 1abb h ASP 628 Ca 0.34 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1abb h ASP 628 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1abb h ASP 628 CO -0.47 0.01 -0.02 0.58 -1.72 0.00 0.00 179.24 177.62 1abb h VAL 629 N 0.00 0.00 0.07 -1.35 2.07 -0.44 -3.25 116.25 113.36 1abb h VAL 629 Ca -0.00 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1abb h VAL 629 Cb 0.03 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1abb h VAL 629 CO 0.00 0.00 -0.11 -0.37 0.02 0.00 0.00 177.57 177.11 1abb h VAL 630 N -0.11 0.74 0.00 2.57 -1.51 -0.34 -1.12 116.25 116.48 1abb h VAL 630 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1abb h VAL 630 Cb 0.05 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1abb h VAL 630 CO 0.01 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.94 1abb n ASN 631 N -5.23 0.00 -0.19 4.19 3.02 0.36 -1.00 115.26 116.41 1abb n ASN 631 Ca -0.07 0.20 0.09 0.00 -0.03 0.00 0.00 54.58 54.77 1abb n ASN 631 Cb 0.15 -0.36 0.16 0.00 -0.61 0.00 0.00 39.78 39.12 1abb n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1abb n HIS 632 N -1.36 0.03 -4.47 3.10 8.25 -0.45 -5.00 115.22 115.32 1abb n HIS 632 Ca 0.07 -1.09 -0.34 0.00 -0.26 0.00 0.00 57.72 56.10 1abb n HIS 632 Cb 0.16 -0.17 -0.12 0.00 1.12 0.00 0.00 29.99 30.98 1abb n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1abb s ASP 633 N -2.92 4.79 0.01 0.41 2.15 -0.17 -5.01 116.67 115.93 1abb s ASP 633 Ca 0.33 -0.07 -0.23 0.00 0.43 0.00 0.00 52.55 53.02 1abb s ASP 633 Cb 0.30 -1.56 -0.18 0.00 -0.30 0.00 0.00 42.92 41.18 1abb s ASP 633 CO 0.01 0.25 1.27 -0.65 -0.17 0.00 0.00 175.17 175.88 1abb h PRO 634 N 6.08 0.21 -0.93 4.34 0.11 -1.94 -3.18 132.00 136.70 1abb h PRO 634 Ca -0.38 -0.13 0.18 0.00 0.11 0.00 0.00 66.00 65.77 1abb h PRO 634 Cb 1.19 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 1abb h PRO 634 CO 0.59 0.69 0.59 0.28 -0.21 0.00 0.00 178.00 179.94 1abb h VAL 635 N -0.24 0.75 -0.06 3.15 2.07 -1.96 0.96 116.25 120.92 1abb h VAL 635 Ca 0.01 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 1abb h VAL 635 Cb 0.67 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1abb h VAL 635 CO 0.03 0.11 -0.52 0.58 0.02 0.00 0.00 177.57 177.79 1abb h VAL 636 N 0.61 1.36 0.00 2.57 2.07 -1.87 -3.46 116.25 117.53 1abb h VAL 636 Ca 0.49 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1abb h VAL 636 Cb 0.93 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1abb h VAL 636 CO -0.24 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.49 1abb n GLY 637 N 0.04 0.46 2.75 2.17 0.00 0.33 -0.06 105.19 110.87 1abb n GLY 637 Ca -0.02 0.72 -0.03 0.00 0.00 0.00 0.00 46.02 46.69 1abb n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1abb n ASP 638 N 6.33 1.91 -0.05 1.61 5.75 -1.26 -4.73 116.55 126.11 1abb n ASP 638 Ca 0.00 -2.24 -0.14 0.00 -0.01 0.00 0.00 54.79 52.40 1abb n ASP 638 Cb 0.00 -0.47 -0.14 0.00 -1.03 0.00 0.00 41.12 39.48 1abb n ASP 638 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1abb n ARG 639 N -0.58 0.68 -3.61 0.11 1.74 0.91 -4.87 116.66 111.05 1abb n ARG 639 Ca 0.11 0.19 -0.28 0.00 -0.77 0.00 0.00 57.85 57.10 1abb n ARG 639 Cb 0.82 -1.66 -0.16 0.00 -1.02 0.00 0.00 32.46 30.44 1abb n ARG 639 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1abb s LEU 640 N -6.30 0.74 -0.13 0.55 1.98 -1.25 -1.49 118.68 112.79 1abb s LEU 640 Ca -0.16 -1.03 0.01 0.00 -2.89 0.00 0.00 54.13 50.05 1abb s LEU 640 Cb 0.07 -0.40 -0.01 0.00 0.66 0.00 0.00 46.19 46.51 1abb s LEU 640 CO 0.77 -0.39 -0.15 -0.13 -1.89 0.00 0.00 176.35 174.56 1abb s ARG 641 N 2.03 3.28 -0.09 1.98 0.52 -0.88 -4.49 118.95 121.30 1abb s ARG 641 Ca 0.05 -0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1abb s ARG 641 Cb -0.16 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 1abb s ARG 641 CO -0.22 0.14 0.00 0.08 0.02 0.00 0.00 175.30 175.32 1abb s VAL 642 N 0.51 4.29 -0.08 3.52 1.01 -1.26 -0.47 120.40 127.93 1abb s VAL 642 Ca -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1abb s VAL 642 Cb -0.16 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.45 1abb s VAL 642 CO 0.04 0.59 0.19 -0.63 0.00 0.00 0.00 175.10 175.30 1abb s ILE 643 N -0.77 -0.04 -0.31 2.22 1.01 0.78 -4.76 121.20 119.33 1abb s ILE 643 Ca 0.12 0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1abb s ILE 643 Cb -0.11 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 1abb s ILE 643 CO 0.02 0.06 0.28 0.12 0.00 0.00 0.00 174.94 175.43 1abb s PHE 644 N 1.15 3.22 -0.89 3.97 5.36 -1.26 -1.39 117.98 128.13 1abb s PHE 644 Ca -0.09 0.08 -0.20 0.00 -0.96 0.00 0.00 56.93 55.76 1abb s PHE 644 Cb -0.10 -2.52 0.10 0.00 -0.34 0.00 0.00 43.02 40.16 1abb s PHE 644 CO -0.07 -0.28 1.15 -0.51 -1.46 0.00 0.00 175.22 174.05 1abb s LEU 645 N 1.89 4.63 0.01 6.12 1.43 -1.06 -4.98 118.68 126.72 1abb s LEU 645 Ca 0.10 -1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 51.18 1abb s LEU 645 Cb -0.16 -2.43 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 1abb s LEU 645 CO 0.11 -1.23 1.88 -0.70 0.23 0.00 0.00 176.35 176.64 1abb s GLU 646 N 3.40 4.15 -0.38 1.70 2.12 -1.26 -3.15 118.70 125.28 1abb s GLU 646 Ca 0.33 2.50 -0.01 0.00 0.36 0.00 0.00 54.97 58.15 1abb s GLU 646 Cb -0.06 -4.10 -0.01 0.00 0.26 0.00 0.00 34.13 30.22 1abb s GLU 646 CO -0.05 -0.92 0.32 -1.71 -0.54 0.00 0.00 175.26 172.36 1abb n ASN 647 N 7.37 -2.65 -4.75 -1.70 5.15 -1.26 -4.91 115.26 112.50 1abb n ASN 647 Ca 0.19 -0.22 -0.41 0.00 -0.60 0.00 0.00 54.58 53.54 1abb n ASN 647 Cb 0.41 -2.06 0.01 0.00 -0.53 0.00 0.00 39.78 37.61 1abb n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1abb n TYR 648 N -2.06 2.70 -3.66 1.20 9.36 -1.19 -4.91 117.16 118.61 1abb n TYR 648 Ca -0.07 0.46 -0.06 0.00 3.32 0.00 0.00 57.90 61.56 1abb n TYR 648 Cb 0.55 -2.47 0.02 0.00 -0.63 0.00 0.00 39.34 36.81 1abb n TYR 648 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1abb n ARG 649 N 0.20 0.80 -0.21 2.98 1.85 -1.26 -4.84 116.66 116.18 1abb n ARG 649 Ca 0.04 -1.61 -0.04 0.00 -1.00 0.00 0.00 57.85 55.24 1abb n ARG 649 Cb 0.39 2.03 0.13 0.00 -1.05 0.00 0.00 32.46 33.96 1abb n ARG 649 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1abb h VAL 650 N 1.77 1.24 -0.00 8.89 2.07 -1.92 0.58 116.25 128.88 1abb h VAL 650 Ca -0.25 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1abb h VAL 650 Cb 0.96 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1abb h VAL 650 CO 0.32 0.33 -0.15 -1.54 0.02 0.00 0.00 177.57 176.55 1abb n SER 651 N -4.27 0.32 0.01 0.57 3.41 -1.26 -2.14 113.62 110.26 1abb n SER 651 Ca 0.05 -0.20 -0.06 0.00 -0.26 0.00 0.00 58.87 58.40 1abb n SER 651 Cb 0.22 -0.14 -0.12 0.00 -0.26 0.00 0.00 64.21 63.91 1abb n SER 651 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1abb h LEU 652 N 0.27 0.00 0.00 1.04 6.46 -1.64 -3.24 115.31 118.19 1abb h LEU 652 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1abb h LEU 652 Cb 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1abb h LEU 652 CO 0.00 0.91 0.00 0.00 -0.62 0.00 0.00 178.44 178.73 1abb n ALA 653 N -2.48 -0.04 0.18 1.25 0.00 0.09 -1.06 120.51 118.45 1abb n ALA 653 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.33 1abb n ALA 653 Cb 0.99 0.06 0.07 0.00 0.00 0.00 0.00 19.45 20.56 1abb n ALA 653 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1abb h GLU 654 N 0.00 0.00 0.00 0.00 4.11 -1.64 -1.23 114.58 115.81 1abb h GLU 654 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1abb h GLU 654 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1abb h GLU 654 CO 0.00 0.00 -0.07 0.87 0.07 0.00 0.00 179.01 179.88 1abb h LYS 655 N 0.00 0.00 -0.84 1.06 1.57 -1.50 -3.41 116.57 113.45 1abb h LYS 655 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1abb h LYS 655 Cb 1.37 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.53 1abb h LYS 655 CO 0.00 0.00 -0.25 -0.24 -0.57 0.00 0.00 179.45 178.39 1abb h VAL 656 N -0.15 0.13 -0.79 0.50 3.04 -0.36 -2.79 116.25 115.84 1abb h VAL 656 Ca 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.74 1abb h VAL 656 Cb 0.07 0.13 -0.06 0.00 -2.01 0.00 0.00 31.29 29.43 1abb h VAL 656 CO 0.00 0.00 0.49 0.40 -1.01 0.00 0.00 177.57 177.45 1abb h ILE 657 N -0.02 1.05 -0.82 3.17 2.04 -1.47 0.69 117.51 122.15 1abb h ILE 657 Ca 0.38 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1abb h ILE 657 Cb 0.61 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1abb h ILE 657 CO -0.87 0.17 0.53 -0.65 0.00 0.00 0.00 178.15 177.33 1abb h PRO 658 N 0.91 0.99 -0.94 2.37 0.11 -1.72 -3.20 132.00 130.52 1abb h PRO 658 Ca 0.34 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1abb h PRO 658 Cb 0.12 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1abb h PRO 658 CO -0.15 0.66 0.01 0.00 -0.21 0.00 0.00 178.00 178.30 1abb n ALA 659 N -2.34 2.75 -2.79 -0.75 0.00 0.22 -4.77 120.51 112.84 1abb n ALA 659 Ca 0.10 -0.32 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 1abb n ALA 659 Cb 0.09 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 1abb n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1abb s ALA 660 N -1.20 3.61 -0.12 0.00 0.00 -1.11 -4.66 121.76 118.29 1abb s ALA 660 Ca 0.09 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1abb s ALA 660 Cb 0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1abb s ALA 660 CO 0.02 0.69 -0.23 -0.25 0.00 0.00 0.00 175.76 175.99 1abb n ASP 661 N 1.20 1.30 -4.45 0.00 8.00 0.10 -4.35 116.55 118.35 1abb n ASP 661 Ca -0.13 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 1abb n ASP 661 Cb 0.53 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 40.89 1abb n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1abb s LEU 662 N -6.95 5.07 -0.57 0.64 0.20 -0.04 0.13 118.68 117.16 1abb s LEU 662 Ca -0.19 -0.88 -0.25 0.00 0.69 0.00 0.00 54.13 53.50 1abb s LEU 662 Cb 0.03 -2.32 0.04 0.00 -0.43 0.00 0.00 46.19 43.51 1abb s LEU 662 CO 0.28 -0.62 1.00 -0.55 -0.29 0.00 0.00 176.35 176.17 1abb s SER 663 N 2.08 6.34 -0.88 3.68 0.15 -0.73 0.76 113.70 125.10 1abb s SER 663 Ca 0.10 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.23 1abb s SER 663 Cb -0.19 -2.46 0.10 0.00 -1.71 0.00 0.00 66.02 61.76 1abb s SER 663 CO 0.11 -1.30 1.15 -1.61 1.20 0.00 0.00 173.24 172.79 1abb s GLU 664 N 4.19 3.49 -1.32 5.44 2.02 -0.26 -2.50 118.70 129.75 1abb s GLU 664 Ca 0.32 -1.44 -0.07 0.00 0.02 0.00 0.00 54.97 53.81 1abb s GLU 664 Cb -0.12 -4.83 0.13 0.00 0.10 0.00 0.00 34.13 29.41 1abb s GLU 664 CO 0.20 -1.86 2.25 1.04 0.02 0.00 0.00 175.26 176.91 1abb n GLN 665 N 7.22 4.24 -1.09 1.61 3.00 -1.04 -4.61 117.38 126.71 1abb n GLN 665 Ca 0.19 -3.42 -0.25 0.00 -0.01 0.00 0.00 57.00 53.51 1abb n GLN 665 Cb 0.49 -2.73 0.07 0.00 0.00 0.00 0.00 30.24 28.07 1abb n GLN 665 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 1abb n ILE 666 N 2.33 3.13 -2.55 5.09 -5.35 -1.26 -3.34 119.36 117.40 1abb n ILE 666 Ca 0.56 -2.16 -0.35 0.00 -0.27 0.00 0.00 62.75 60.53 1abb n ILE 666 Cb 0.28 -1.12 -0.04 0.00 -1.74 0.00 0.00 39.64 37.02 1abb n ILE 666 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1abb s SER 667 N -0.86 6.52 0.43 7.28 0.01 -1.25 -4.68 113.70 121.15 1abb s SER 667 Ca 0.48 1.96 -0.23 0.00 1.31 0.00 0.00 55.95 59.47 1abb s SER 667 Cb 0.38 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.93 1abb s SER 667 CO 0.01 -0.66 0.87 0.41 0.41 0.00 0.00 173.24 174.28 1abb n THR 668 N -0.62 2.34 -2.68 1.44 -1.04 -1.23 -4.71 114.28 107.78 1abb n THR 668 Ca 0.08 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.23 1abb n THR 668 Cb 0.51 -0.97 -0.05 0.00 -1.82 0.00 0.00 70.33 68.00 1abb n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1abb s ALA 669 N -1.34 3.09 0.00 2.41 0.00 -1.26 -2.37 121.76 122.30 1abb s ALA 669 Ca 0.64 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1abb s ALA 669 Cb -0.57 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1abb s ALA 669 CO 0.56 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.72 1abb n GLY 670 N 0.12 2.74 0.09 0.00 0.00 -1.26 -4.81 105.19 102.06 1abb n GLY 670 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1abb n GLY 670 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1abb h THR 671 N 0.00 1.33 -3.34 2.61 1.35 -1.81 -3.45 112.91 109.60 1abb h THR 671 Ca 0.00 -3.03 -0.56 0.00 -0.55 0.00 0.00 66.41 62.26 1abb h THR 671 Cb 0.00 2.74 -0.05 0.00 -1.73 0.00 0.00 68.15 69.11 1abb h THR 671 CO 0.00 0.82 0.02 -1.61 -0.25 0.00 0.00 175.52 174.50 1abb s GLU 672 N -2.65 4.37 0.04 4.72 0.41 -1.26 -4.85 118.70 119.47 1abb s GLU 672 Ca -0.04 0.79 0.25 0.00 -0.41 0.00 0.00 54.97 55.56 1abb s GLU 672 Cb 0.08 -3.37 0.45 0.00 -1.78 0.00 0.00 34.13 29.51 1abb s GLU 672 CO 0.84 0.28 1.38 0.00 -0.49 0.00 0.00 175.26 177.27 1abb n ALA 673 N 3.00 3.34 -2.28 5.21 0.00 -1.26 -3.38 120.51 125.14 1abb n ALA 673 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1abb n ALA 673 Cb 0.51 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1abb n ALA 673 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1abb n SER 674 N -1.70 0.29 0.00 0.00 2.88 -1.26 -4.16 113.62 109.67 1abb n SER 674 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1abb n SER 674 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1abb n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1abb n GLY 675 N 0.00 0.73 0.11 0.46 0.00 -1.26 -1.00 105.19 104.23 1abb n GLY 675 Ca 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 1abb n GLY 675 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1abb h THR 676 N 0.00 1.52 0.00 2.61 2.02 -1.94 -3.25 112.91 113.87 1abb h THR 676 Ca 0.00 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.68 1abb h THR 676 Cb 0.00 3.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1abb h THR 676 CO 0.00 0.70 0.10 1.23 0.37 0.00 0.00 175.52 177.92 1abb h GLY 677 N -0.44 0.00 0.09 2.16 0.00 -1.96 -1.72 103.07 101.19 1abb h GLY 677 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1abb h GLY 677 CO 0.12 0.00 -0.07 3.43 0.00 0.00 0.00 176.54 180.02 1abb h ASN 678 N 0.00 0.04 -0.86 0.19 4.21 -1.97 -3.04 115.58 114.15 1abb h ASN 678 Ca 0.00 -0.97 0.10 0.00 1.21 0.00 0.00 56.30 56.64 1abb h ASN 678 Cb 0.20 -0.01 -0.08 0.00 -1.12 0.00 0.00 38.32 37.31 1abb h ASN 678 CO 0.00 1.01 0.50 0.24 -1.29 0.00 0.00 177.43 177.89 1abb h MET 679 N -0.91 0.81 -0.27 0.81 2.86 -1.34 -2.47 114.93 114.42 1abb h MET 679 Ca -0.01 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1abb h MET 679 Cb 1.03 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1abb h MET 679 CO 0.01 0.54 0.17 0.87 1.06 0.00 0.00 176.91 179.55 1abb h LYS 680 N 0.83 0.33 0.00 1.72 1.57 -1.58 0.20 116.57 119.64 1abb h LYS 680 Ca 0.42 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1abb h LYS 680 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1abb h LYS 680 CO -0.25 0.22 0.00 0.74 -0.57 0.00 0.00 179.45 179.59 1abb h PHE 681 N 0.34 0.00 0.00 -1.35 -1.00 -1.37 -3.29 116.94 110.27 1abb h PHE 681 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1abb h PHE 681 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1abb h PHE 681 CO -0.07 0.00 0.00 -0.12 -1.61 0.00 0.00 178.31 176.51 1abb n MET 682 N -2.36 0.00 0.00 1.51 1.56 0.65 -1.68 117.12 116.80 1abb n MET 682 Ca 0.02 0.47 0.00 0.00 -0.27 0.00 0.00 57.70 57.92 1abb n MET 682 Cb 0.25 -1.15 0.00 0.00 2.15 0.00 0.00 33.22 34.46 1abb n MET 682 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1abb n LEU 683 N -1.91 0.00 -0.82 -0.89 0.00 -0.95 -0.16 117.00 112.27 1abb n LEU 683 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 56.01 56.10 1abb n LEU 683 Cb 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 43.42 43.53 1abb n LEU 683 CO 0.00 -0.03 0.28 0.59 0.00 0.00 0.00 177.39 178.23 1abb n ASN 684 N -0.84 1.50 -3.55 1.96 3.02 -1.21 -4.95 115.26 111.19 1abb n ASN 684 Ca 0.00 -3.25 -0.28 0.00 -0.03 0.00 0.00 54.58 51.02 1abb n ASN 684 Cb 0.25 -0.45 0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1abb n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1abb n GLY 685 N -0.64 -0.67 3.30 7.41 0.00 0.77 -4.83 105.19 110.53 1abb n GLY 685 Ca 0.14 0.89 -0.30 0.00 0.00 0.00 0.00 46.02 46.75 1abb n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abb s ALA 686 N -2.30 2.11 -0.05 4.61 0.00 -0.68 -4.73 121.76 120.72 1abb s ALA 686 Ca 0.19 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 1abb s ALA 686 Cb -0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1abb s ALA 686 CO 0.87 0.52 0.75 -0.51 0.00 0.00 0.00 175.76 177.38 1abb s LEU 687 N -0.64 4.33 -0.98 0.00 1.43 0.34 -4.64 118.68 118.51 1abb s LEU 687 Ca 0.10 1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 54.24 1abb s LEU 687 Cb -0.10 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 43.01 1abb s LEU 687 CO -0.01 -0.13 1.42 -0.89 0.23 0.00 0.00 176.35 176.97 1abb s THR 688 N 0.78 3.91 0.67 5.49 2.01 -1.26 -1.76 115.64 125.48 1abb s THR 688 Ca 0.40 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 1abb s THR 688 Cb -0.18 -5.04 0.01 0.00 0.01 0.00 0.00 72.50 67.30 1abb s THR 688 CO 0.20 -1.92 1.14 -0.51 -0.69 0.00 0.00 174.62 172.84 1abb s ILE 689 N 5.04 2.92 0.00 1.82 2.07 -1.04 -2.94 121.20 129.06 1abb s ILE 689 Ca 0.44 0.45 0.00 0.00 -1.41 0.00 0.00 60.65 60.13 1abb s ILE 689 Cb -0.01 -2.99 0.00 0.00 0.13 0.00 0.00 42.46 39.59 1abb s ILE 689 CO -0.07 -0.25 0.00 0.61 -1.91 0.00 0.00 174.94 173.33 1abb n GLY 690 N -0.15 3.94 3.67 1.50 0.00 -1.12 -2.49 105.19 110.54 1abb n GLY 690 Ca 0.11 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 1abb n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1abb s THR 691 N -2.00 2.45 -0.57 2.61 -4.23 -1.21 -2.31 115.64 110.38 1abb s THR 691 Ca 0.00 0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.61 1abb s THR 691 Cb 0.00 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.49 1abb s THR 691 CO 0.00 -0.19 2.83 0.80 -0.54 0.00 0.00 174.62 177.52 1abb n MET 692 N -4.13 2.74 -4.55 3.99 1.56 -1.26 -4.77 117.12 110.71 1abb n MET 692 Ca 0.09 -2.35 -0.26 0.00 -0.27 0.00 0.00 57.70 54.92 1abb n MET 692 Cb 0.53 -2.22 -0.11 0.00 2.15 0.00 0.00 33.22 33.57 1abb n MET 692 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1abb s ASP 693 N 0.63 3.58 0.51 6.12 2.15 -1.26 -4.59 116.67 123.80 1abb s ASP 693 Ca 0.60 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 52.32 1abb s ASP 693 Cb 0.34 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 1abb s ASP 693 CO -0.17 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 1abb n GLY 694 N -0.81 2.42 0.12 2.66 0.00 -1.22 -1.22 105.19 107.14 1abb n GLY 694 Ca -0.05 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 1abb n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abb h ALA 695 N -0.25 -0.20 -1.30 4.61 0.00 -1.36 -3.00 119.26 117.76 1abb h ALA 695 Ca 0.00 -0.12 0.46 0.00 0.00 0.00 0.00 54.91 55.25 1abb h ALA 695 Cb 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.72 1abb h ALA 695 CO 0.00 -0.52 0.81 -0.91 0.00 0.00 0.00 179.25 178.64 1abb h ASN 696 N -0.39 0.23 0.00 0.00 4.21 -1.40 -1.35 115.58 116.87 1abb h ASN 696 Ca -0.02 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.67 1abb h ASN 696 Cb 0.31 0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1abb h ASN 696 CO 0.03 -0.29 0.00 0.52 -1.29 0.00 0.00 177.43 176.40 1abb n VAL 697 N -4.85 0.00 0.32 2.81 0.31 -1.13 -1.14 118.33 114.66 1abb n VAL 697 Ca 0.40 1.34 0.20 0.00 -0.01 0.00 0.00 64.34 66.26 1abb n VAL 697 Cb 1.50 -2.23 1.06 0.00 -0.91 0.00 0.00 33.84 33.26 1abb n VAL 697 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1abb h GLU 698 N 0.00 0.00 -0.01 5.55 5.08 -1.44 0.76 114.58 124.52 1abb h GLU 698 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1abb h GLU 698 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1abb h GLU 698 CO 0.00 0.00 -0.17 0.52 -1.00 0.00 0.00 179.01 178.36 1abb h MET 699 N 0.00 0.13 -0.67 2.33 2.86 -1.22 -2.69 114.93 115.68 1abb h MET 699 Ca 0.01 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1abb h MET 699 Cb 0.21 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1abb h MET 699 CO -0.00 0.84 0.44 0.00 1.06 0.00 0.00 176.91 179.25 1abb h ALA 700 N 0.29 1.79 0.61 6.32 0.00 0.69 0.49 119.26 129.44 1abb h ALA 700 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1abb h ALA 700 Cb 0.89 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1abb h ALA 700 CO 0.03 0.10 -0.34 1.49 0.00 0.00 0.00 179.25 180.53 1abb h GLU 701 N 0.65 -0.86 -0.23 0.00 4.81 -1.29 -2.14 114.58 115.51 1abb h GLU 701 Ca 0.29 0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1abb h GLU 701 Cb 0.31 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1abb h GLU 701 CO -0.09 -0.57 -0.09 0.93 -0.73 0.00 0.00 179.01 178.46 1abb h GLU 702 N -0.89 0.47 0.00 1.92 4.39 -0.99 -3.23 114.58 116.25 1abb h GLU 702 Ca -0.08 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1abb h GLU 702 Cb 0.71 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1abb h GLU 702 CO 0.10 0.73 0.00 0.00 -1.16 0.00 0.00 179.01 178.67 1abb n ALA 703 N -2.40 2.05 -0.55 3.43 0.00 0.08 -4.91 120.51 118.21 1abb n ALA 703 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1abb n ALA 703 Cb 0.32 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1abb n ALA 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1abb n GLY 704 N 0.86 -3.75 0.33 0.00 0.00 -0.82 -4.23 105.19 97.57 1abb n GLY 704 Ca 0.05 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.35 1abb n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1abb h GLU 705 N 0.37 0.00 -0.86 1.61 4.22 -1.81 0.35 114.58 118.46 1abb h GLU 705 Ca 0.00 -0.00 0.19 0.00 0.08 0.00 0.00 59.36 59.63 1abb h GLU 705 Cb 0.00 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1abb h GLU 705 CO 0.00 0.00 0.57 0.93 -2.18 0.00 0.00 179.01 178.33 1abb h GLU 706 N 0.00 0.38 0.00 1.92 3.07 -1.91 -0.03 114.58 118.00 1abb h GLU 706 Ca 0.44 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1abb h GLU 706 Cb 0.67 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1abb h GLU 706 CO -0.93 0.25 0.00 0.09 -1.40 0.00 0.00 179.01 177.02 1abb n ASN 707 N -4.49 0.00 -3.87 1.42 3.02 0.12 -4.86 115.26 106.60 1abb n ASN 707 Ca 0.18 -1.23 -0.24 0.00 -0.03 0.00 0.00 54.58 53.26 1abb n ASN 707 Cb 0.67 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.67 1abb n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1abb s PHE 708 N -2.00 1.03 0.00 3.10 2.19 -0.03 -4.89 117.98 117.39 1abb s PHE 708 Ca 0.24 -0.39 -0.02 0.00 0.33 0.00 0.00 56.93 57.08 1abb s PHE 708 Cb 0.11 -0.93 -0.10 0.00 -1.31 0.00 0.00 43.02 40.79 1abb s PHE 708 CO 0.19 -0.34 2.33 1.19 1.83 0.00 0.00 175.22 180.42 1abb n PHE 709 N 4.64 0.00 -1.28 10.12 3.01 -1.15 -4.93 117.46 127.86 1abb n PHE 709 Ca -0.15 -1.02 -0.39 0.00 1.01 0.00 0.00 57.45 56.90 1abb n PHE 709 Cb 0.50 -0.90 0.02 0.00 -0.01 0.00 0.00 39.48 39.10 1abb n PHE 709 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1abb n ILE 710 N 2.05 0.46 -2.27 4.37 2.08 -1.25 -2.77 119.36 122.03 1abb n ILE 710 Ca 0.17 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.98 1abb n ILE 710 Cb 0.58 -0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 1abb n ILE 710 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1abb n PHE 711 N -1.58 -0.19 0.00 1.39 -1.74 -0.98 -4.74 117.46 109.63 1abb n PHE 711 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.97 1abb n PHE 711 Cb 0.47 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.47 1abb n PHE 711 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1abb n GLY 712 N 0.00 0.23 3.68 4.97 0.00 -1.26 -4.33 105.19 108.48 1abb n GLY 712 Ca 0.00 -0.41 -0.48 0.00 0.00 0.00 0.00 46.02 45.13 1abb n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1abb n MET 713 N 0.00 2.09 -0.08 1.61 2.81 -1.26 -4.90 117.12 117.40 1abb n MET 713 Ca 0.00 0.77 -0.03 0.00 -1.81 0.00 0.00 57.70 56.63 1abb n MET 713 Cb 0.00 -2.58 0.02 0.00 -0.71 0.00 0.00 33.22 29.95 1abb n MET 713 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1abb n ARG 714 N 5.83 -1.35 0.26 0.03 3.00 -1.26 -4.49 116.66 118.68 1abb n ARG 714 Ca 0.22 -0.15 -0.15 0.00 -0.01 0.00 0.00 57.85 57.76 1abb n ARG 714 Cb 0.28 -0.14 -0.08 0.00 0.00 0.00 0.00 32.46 32.52 1abb n ARG 714 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1abb h VAL 715 N -1.69 0.41 -0.22 1.55 2.07 -1.91 -3.26 116.25 113.21 1abb h VAL 715 Ca -0.03 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1abb h VAL 715 Cb 0.11 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1abb h VAL 715 CO 0.02 0.05 -0.13 1.21 0.02 0.00 0.00 177.57 178.75 1abb n GLU 716 N -5.28 -0.09 -0.18 1.57 0.00 -1.26 0.02 120.64 115.41 1abb n GLU 716 Ca -0.11 0.76 0.18 0.00 0.00 0.00 0.00 57.16 58.00 1abb n GLU 716 Cb 0.31 -1.13 0.54 0.00 0.00 0.00 0.00 31.44 31.16 1abb n GLU 716 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1abb h ASP 717 N 0.00 0.33 0.11 4.31 5.19 -1.93 0.88 116.42 125.30 1abb h ASP 717 Ca 0.03 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1abb h ASP 717 Cb 0.09 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1abb h ASP 717 CO -0.20 0.15 -0.05 0.58 -3.12 0.00 0.00 179.24 176.60 1abb h VAL 718 N 0.34 1.11 -0.17 -1.35 2.07 -0.45 -0.35 116.25 117.45 1abb h VAL 718 Ca 0.40 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1abb h VAL 718 Cb 1.06 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 1abb h VAL 718 CO -0.12 0.26 -0.52 0.44 0.02 0.00 0.00 177.57 177.65 1abb h ASP 719 N -0.70 -1.67 -0.76 0.57 3.32 -0.33 0.16 116.42 117.00 1abb h ASP 719 Ca -0.01 0.21 0.17 0.00 0.02 0.00 0.00 57.03 57.41 1abb h ASP 719 Cb 0.53 0.66 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 1abb h ASP 719 CO 0.02 -0.47 -0.03 0.03 -1.72 0.00 0.00 179.24 177.07 1abb h ARG 720 N -0.54 0.07 0.00 3.56 2.47 -1.17 0.67 114.38 119.44 1abb h ARG 720 Ca 0.05 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1abb h ARG 720 Cb 0.66 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1abb h ARG 720 CO -0.45 0.05 -0.15 1.25 0.56 0.00 0.00 179.97 181.22 1abb h LEU 721 N 0.08 0.00 0.02 3.04 5.85 0.93 -1.41 115.31 123.81 1abb h LEU 721 Ca 0.41 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.87 1abb h LEU 721 Cb 0.71 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.75 1abb h LEU 721 CO -0.70 0.15 -1.15 0.44 -0.34 0.00 0.00 178.44 176.85 1abb h ASP 722 N 0.00 0.51 -0.57 1.25 3.32 0.29 0.12 116.42 121.33 1abb h ASP 722 Ca -0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1abb h ASP 722 Cb 0.34 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1abb h ASP 722 CO 0.02 1.34 0.27 -0.61 -1.72 0.00 0.00 179.24 178.54 1abb h GLN 723 N 0.14 0.83 -0.00 3.56 4.15 -0.70 -2.40 115.11 120.70 1abb h GLN 723 Ca -0.12 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1abb h GLN 723 Cb 1.84 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.38 1abb h GLN 723 CO 0.20 0.68 -0.47 2.89 -1.93 0.00 0.00 178.83 180.20 1abb n ARG 724 N -4.54 0.09 -0.11 1.69 -4.01 -0.56 -5.05 116.66 104.18 1abb n ARG 724 Ca 0.03 -0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.79 1abb n ARG 724 Cb 0.13 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.05 1abb n ARG 724 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1abb n GLY 725 N 1.48 -1.14 3.60 2.89 0.00 0.40 -4.92 105.19 107.49 1abb n GLY 725 Ca 0.06 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1abb n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1abb s TYR 726 N -0.32 2.45 -0.73 1.61 5.04 -1.07 -4.82 117.35 119.51 1abb s TYR 726 Ca 0.00 0.65 -0.09 0.00 -2.44 0.00 0.00 57.07 55.19 1abb s TYR 726 Cb 0.00 -4.35 0.19 0.00 0.35 0.00 0.00 41.96 38.15 1abb s TYR 726 CO 0.00 -1.86 0.62 1.21 -1.34 0.00 0.00 175.55 174.18 1abb s ASN 727 N 3.75 6.06 0.26 4.32 3.04 -1.26 -4.93 114.94 126.18 1abb s ASN 727 Ca 0.58 -2.75 -0.10 0.00 0.04 0.00 0.00 52.86 50.63 1abb s ASN 727 Cb -0.12 -2.05 0.40 0.00 -1.54 0.00 0.00 41.25 37.94 1abb s ASN 727 CO 0.32 -0.48 1.51 0.00 -3.04 0.00 0.00 177.10 175.40 1abb n ALA 728 N 3.77 0.16 -0.29 1.71 0.00 -1.26 -1.98 120.51 122.61 1abb n ALA 728 Ca 0.11 1.04 0.24 0.00 0.00 0.00 0.00 53.44 54.83 1abb n ALA 728 Cb 0.43 -0.59 0.56 0.00 0.00 0.00 0.00 19.45 19.84 1abb n ALA 728 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1abb h GLN 729 N 0.00 0.30 -0.66 0.00 5.75 -1.91 -2.71 115.11 115.88 1abb h GLN 729 Ca 0.44 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 59.02 1abb h GLN 729 Cb 0.68 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 29.09 1abb h GLN 729 CO -0.99 0.20 0.26 1.05 -2.65 0.00 0.00 178.83 176.70 1abb h GLU 730 N 0.31 0.43 -0.29 1.69 4.11 -1.80 0.13 114.58 119.16 1abb h GLU 730 Ca 0.55 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.93 1abb h GLU 730 Cb 1.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1abb h GLU 730 CO -0.21 0.29 0.08 1.88 0.07 0.00 0.00 179.01 181.12 1abb h TYR 731 N 0.45 0.48 -0.55 2.06 0.05 -1.70 0.21 116.97 117.97 1abb h TYR 731 Ca 0.34 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 59.13 1abb h TYR 731 Cb 0.43 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 1abb h TYR 731 CO -0.16 0.52 0.37 -0.92 -1.05 0.00 0.00 178.16 176.92 1abb h TYR 732 N 0.31 0.47 0.00 4.88 3.20 -0.87 -0.56 116.97 124.39 1abb h TYR 732 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1abb h TYR 732 Cb 0.27 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1abb h TYR 732 CO 0.01 0.25 -0.67 -0.44 -1.64 0.00 0.00 178.16 175.66 1abb h ASP 733 N 0.46 0.00 0.12 -2.11 3.32 0.20 -3.34 116.42 115.07 1abb h ASP 733 Ca 0.24 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1abb h ASP 733 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1abb h ASP 733 CO -0.07 0.11 -0.06 0.03 -1.72 0.00 0.00 179.24 177.54 1abb h ARG 734 N 0.00 -0.15 -5.98 3.56 3.08 0.71 -3.46 114.38 112.13 1abb h ARG 734 Ca 0.00 0.01 -0.50 0.00 0.07 0.00 0.00 59.98 59.56 1abb h ARG 734 Cb 0.75 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1abb h ARG 734 CO 0.00 -0.10 1.36 0.42 -1.07 0.00 0.00 179.97 180.58 1abb s ILE 735 N -2.21 3.35 0.33 2.04 1.01 -0.35 -4.92 121.20 120.45 1abb s ILE 735 Ca -0.02 0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.87 1abb s ILE 735 Cb 0.00 -3.90 0.18 0.00 0.01 0.00 0.00 42.46 38.75 1abb s ILE 735 CO 0.07 -0.86 1.89 -0.65 0.00 0.00 0.00 174.94 175.39 1abb h PRO 736 N 15.02 0.64 0.00 2.79 0.11 -1.90 -0.05 132.00 148.61 1abb h PRO 736 Ca -0.26 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1abb h PRO 736 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1abb h PRO 736 CO 1.21 0.59 0.00 0.39 -0.21 0.00 0.00 178.00 179.98 1abb n GLU 737 N -4.31 0.00 -0.32 1.05 4.71 -1.26 -2.40 120.64 118.10 1abb n GLU 737 Ca 0.03 0.44 0.17 0.00 -0.01 0.00 0.00 57.16 57.79 1abb n GLU 737 Cb 0.20 -1.39 0.33 0.00 -1.01 0.00 0.00 31.44 29.58 1abb n GLU 737 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1abb n LEU 738 N -1.75 -0.03 0.12 -4.62 7.94 -0.93 0.14 117.00 117.88 1abb n LEU 738 Ca 0.00 1.61 -0.13 0.00 -1.11 0.00 0.00 56.01 56.38 1abb n LEU 738 Cb 0.00 -0.62 -0.06 0.00 0.53 0.00 0.00 43.42 43.27 1abb n LEU 738 CO 0.00 -1.66 0.72 -0.09 -1.11 0.00 0.00 177.39 175.24 1abb h ARG 739 N 0.00 -0.41 -0.60 1.96 2.43 -1.06 -0.55 114.38 116.15 1abb h ARG 739 Ca 0.62 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.78 1abb h ARG 739 Cb 1.37 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 1abb h ARG 739 CO -0.86 -0.27 0.22 0.37 -1.51 0.00 0.00 179.97 177.91 1abb h GLN 740 N -0.43 0.89 -0.20 0.20 4.15 0.16 -1.81 115.11 118.07 1abb h GLN 740 Ca 0.02 -0.15 -0.21 0.00 0.77 0.00 0.00 58.65 59.08 1abb h GLN 740 Cb 0.44 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.98 1abb h GLN 740 CO -0.11 0.74 -0.70 -0.84 -1.93 0.00 0.00 178.83 175.99 1abb h ILE 741 N 0.87 1.28 -0.80 2.39 3.07 -0.57 -0.04 117.51 123.71 1abb h ILE 741 Ca 0.20 -1.90 0.10 0.00 1.55 0.00 0.00 64.86 64.81 1abb h ILE 741 Cb 0.20 1.87 -0.07 0.00 -0.27 0.00 0.00 36.82 38.54 1abb h ILE 741 CO -0.01 0.61 0.44 0.40 -1.05 0.00 0.00 178.15 178.53 1abb h ILE 742 N 0.58 0.89 -0.08 0.16 1.08 -0.96 0.11 117.51 119.29 1abb h ILE 742 Ca -0.03 -0.25 -0.08 0.00 -0.39 0.00 0.00 64.86 64.11 1abb h ILE 742 Cb 1.32 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1abb h ILE 742 CO 0.15 0.13 -0.32 -0.33 -0.69 0.00 0.00 178.15 177.09 1abb h GLU 743 N 0.74 0.14 0.05 2.37 4.39 -0.43 0.92 114.58 122.76 1abb h GLU 743 Ca 0.39 -0.05 -0.28 0.00 0.34 0.00 0.00 59.36 59.76 1abb h GLU 743 Cb 0.38 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1abb h GLU 743 CO -0.26 0.45 -1.12 1.96 -1.16 0.00 0.00 179.01 178.89 1abb h GLN 744 N 0.13 0.63 0.05 2.33 4.20 -0.42 -1.21 115.11 120.81 1abb h GLN 744 Ca 0.02 -0.74 -0.00 0.00 0.06 0.00 0.00 58.65 57.98 1abb h GLN 744 Cb 0.63 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1abb h GLN 744 CO 0.05 1.32 -0.02 -0.07 -0.67 0.00 0.00 178.83 179.43 1abb h LEU 745 N 0.32 -0.05 0.00 1.46 3.38 -0.03 -2.07 115.31 118.32 1abb h LEU 745 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1abb h LEU 745 Cb 1.78 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1abb h LEU 745 CO 0.21 -0.04 0.00 -1.20 0.09 0.00 0.00 178.44 177.51 1abb n SER 746 N -2.18 0.00 0.04 -0.43 7.64 0.25 -1.55 113.62 117.39 1abb n SER 746 Ca -0.01 0.30 -0.05 0.00 1.01 0.00 0.00 58.87 60.13 1abb n SER 746 Cb 0.02 -0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 1abb n SER 746 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1abb h SER 747 N 0.00 0.00 0.00 6.43 4.64 -1.18 -3.45 113.55 119.99 1abb h SER 747 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1abb h SER 747 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1abb h SER 747 CO 0.00 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1abb n GLY 748 N 1.41 1.50 0.20 -0.77 0.00 -0.59 -4.76 105.19 102.18 1abb n GLY 748 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1abb n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1abb h PHE 749 N 0.00 -0.56 0.00 1.61 3.57 -1.55 -1.93 116.94 118.08 1abb h PHE 749 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1abb h PHE 749 Cb 0.00 0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1abb h PHE 749 CO 0.00 -0.27 0.00 1.19 -2.23 0.00 0.00 178.31 177.00 1abb n PHE 750 N -3.55 0.00 -2.74 0.41 3.72 -1.26 -3.86 117.46 110.18 1abb n PHE 750 Ca -0.05 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.31 1abb n PHE 750 Cb 0.19 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.78 1abb n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1abb n SER 751 N -0.81 0.89 -0.33 4.37 3.41 -0.76 -4.71 113.62 115.69 1abb n SER 751 Ca 0.08 -2.34 0.36 0.00 -0.26 0.00 0.00 58.87 56.71 1abb n SER 751 Cb 0.04 -0.24 0.71 0.00 -0.26 0.00 0.00 64.21 64.45 1abb n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1abb h PRO 752 N 2.54 0.00 0.00 4.33 0.13 -1.57 0.24 132.00 137.67 1abb h PRO 752 Ca -0.17 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.82 1abb h PRO 752 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1abb h PRO 752 CO 0.24 0.00 -0.66 0.87 -0.23 0.00 0.00 178.00 178.22 1abb h LYS 753 N 0.00 0.00 -2.93 0.86 6.56 -1.95 -3.37 116.57 115.74 1abb h LYS 753 Ca 0.58 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.62 1abb h LYS 753 Cb 2.57 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 33.84 1abb h LYS 753 CO -0.01 0.66 -0.78 -0.65 -2.06 0.00 0.00 179.45 176.61 1abb s GLN 754 N -3.17 0.39 0.18 3.15 1.11 0.85 -5.00 119.66 117.18 1abb s GLN 754 Ca 0.01 -0.81 -0.14 0.00 0.01 0.00 0.00 55.36 54.43 1abb s GLN 754 Cb 0.10 -1.40 0.13 0.00 -1.01 0.00 0.00 33.01 30.83 1abb s GLN 754 CO 0.76 -1.05 1.77 -1.35 0.01 0.00 0.00 175.29 175.43 1abb h PRO 755 N 8.08 0.40 0.00 2.91 0.11 -1.73 -2.61 132.00 139.16 1abb h PRO 755 Ca -0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1abb h PRO 755 Cb 1.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1abb h PRO 755 CO 0.42 0.27 0.06 -0.40 -0.21 0.00 0.00 178.00 178.14 1abb n ASP 756 N -4.94 0.54 0.08 -2.05 5.68 -1.26 -3.66 116.55 110.94 1abb n ASP 756 Ca 0.04 0.74 -0.14 0.00 -0.50 0.00 0.00 54.79 54.92 1abb n ASP 756 Cb 0.15 -0.79 -0.07 0.00 -1.14 0.00 0.00 41.12 39.27 1abb n ASP 756 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1abb h LEU 757 N 0.00 -1.31 -1.96 -2.12 5.85 -1.80 -0.06 115.31 113.91 1abb h LEU 757 Ca 0.00 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1abb h LEU 757 Cb 0.11 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1abb h LEU 757 CO 0.00 -0.48 0.06 0.49 -0.34 0.00 0.00 178.44 178.17 1abb n PHE 758 N -5.46 0.60 -0.33 1.25 3.72 -1.24 -4.27 117.46 111.72 1abb n PHE 758 Ca -0.07 -0.43 0.07 0.00 -0.05 0.00 0.00 57.45 56.97 1abb n PHE 758 Cb 0.38 -0.29 0.23 0.00 -0.94 0.00 0.00 39.48 38.86 1abb n PHE 758 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1abb h LYS 759 N 0.68 0.82 -0.01 -1.08 1.79 -1.26 -0.21 116.57 117.29 1abb h LYS 759 Ca 0.06 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.35 1abb h LYS 759 Cb 1.09 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 1abb h LYS 759 CO 0.18 0.54 -0.63 0.38 -1.08 0.00 0.00 179.45 178.84 1abb h ASP 760 N 0.85 0.04 -0.29 0.86 3.04 -1.82 -2.68 116.42 116.42 1abb h ASP 760 Ca 0.48 -0.02 -0.03 0.00 -3.24 0.00 0.00 57.03 54.22 1abb h ASP 760 Cb 0.55 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 38.82 1abb h ASP 760 CO -0.30 0.66 0.07 0.40 -2.04 0.00 0.00 179.24 178.03 1abb h ILE 761 N 0.02 1.22 -0.15 4.15 2.04 -1.38 0.11 117.51 123.52 1abb h ILE 761 Ca -0.01 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1abb h ILE 761 Cb 1.13 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1abb h ILE 761 CO 0.08 0.24 -0.16 0.58 0.00 0.00 0.00 178.15 178.89 1abb h VAL 762 N 0.30 0.00 -0.09 1.67 2.07 -1.06 -0.28 116.25 118.87 1abb h VAL 762 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1abb h VAL 762 Cb 0.30 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1abb h VAL 762 CO 0.00 0.00 0.10 0.78 0.02 0.00 0.00 177.57 178.47 1abb h ASN 763 N -0.09 0.00 0.16 0.57 4.21 -1.38 0.28 115.58 119.33 1abb h ASN 763 Ca 0.03 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 1abb h ASN 763 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1abb h ASN 763 CO -0.19 0.00 -0.08 -0.03 -1.29 0.00 0.00 177.43 175.84 1abb h MET 764 N 0.00 -0.21 0.03 0.81 4.05 0.99 -2.35 114.93 118.25 1abb h MET 764 Ca 0.04 0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.36 1abb h MET 764 Cb 0.23 0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1abb h MET 764 CO -0.00 -0.13 -0.48 -0.07 0.23 0.00 0.00 176.91 176.45 1abb h LEU 765 N -0.22 0.38 -0.22 3.39 -0.00 -0.43 -0.86 115.31 117.35 1abb h LEU 765 Ca -0.02 -0.82 -0.11 0.00 -0.00 0.00 0.00 57.88 56.93 1abb h LEU 765 Cb 0.17 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1abb h LEU 765 CO 0.04 1.15 -0.30 0.24 -0.00 0.00 0.00 178.44 179.57 1abb h MET 766 N -0.35 0.59 0.00 1.13 2.86 -1.15 -3.40 114.93 114.61 1abb h MET 766 Ca -0.07 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.20 1abb h MET 766 Cb 1.25 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1abb h MET 766 CO 0.09 0.95 -1.39 0.72 1.06 0.00 0.00 176.91 178.33 1abb n HIS 767 N -4.32 0.00 -2.78 -0.22 8.25 -0.90 -4.00 115.22 111.24 1abb n HIS 767 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 1abb n HIS 767 Cb 0.47 -0.22 0.08 0.00 1.12 0.00 0.00 29.99 31.44 1abb n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1abb n HIS 768 N -1.89 -2.39 -2.78 4.41 -0.00 -0.45 -4.98 115.22 107.14 1abb n HIS 768 Ca -0.04 -2.33 -0.42 0.00 -0.00 0.00 0.00 57.72 54.93 1abb n HIS 768 Cb 0.33 1.35 -0.03 0.00 -0.00 0.00 0.00 29.99 31.64 1abb n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1abb s ASP 769 N -1.44 6.98 0.40 4.39 -1.08 -0.50 -4.86 116.67 120.56 1abb s ASP 769 Ca 0.24 1.23 0.22 0.00 -0.52 0.00 0.00 52.55 53.71 1abb s ASP 769 Cb 0.31 -2.49 0.56 0.00 -1.46 0.00 0.00 42.92 39.84 1abb s ASP 769 CO -0.06 -0.57 1.67 -0.09 0.52 0.00 0.00 175.17 176.65 1abb h ARG 770 N 7.51 0.00 -0.01 4.34 2.43 -1.97 -3.37 114.38 123.31 1abb h ARG 770 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1abb h ARG 770 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1abb h ARG 770 CO 0.92 0.25 -0.09 1.19 -1.51 0.00 0.00 179.97 180.73 1abb n PHE 771 N -3.26 0.00 -2.57 2.20 3.72 -1.26 -5.04 117.46 111.25 1abb n PHE 771 Ca 0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.35 1abb n PHE 771 Cb 0.54 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.11 1abb n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1abb n LYS 772 N 0.09 -1.24 0.04 -1.08 5.02 -1.26 -4.80 118.16 114.93 1abb n LYS 772 Ca 0.04 0.73 -0.02 0.00 -2.02 0.00 0.00 58.31 57.04 1abb n LYS 772 Cb 0.20 -4.23 -0.01 0.00 -0.02 0.00 0.00 35.03 30.97 1abb n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1abb h VAL 773 N -0.39 0.00 -1.13 -0.18 2.07 -1.93 -3.20 116.25 111.49 1abb h VAL 773 Ca -0.27 -0.20 0.33 0.00 0.82 0.00 0.00 66.70 67.37 1abb h VAL 773 Cb 1.14 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1abb h VAL 773 CO 0.25 0.00 0.81 -0.26 0.02 0.00 0.00 177.57 178.39 1abb h PHE 774 N -0.34 0.02 0.54 1.57 -1.00 -1.94 0.54 116.94 116.32 1abb h PHE 774 Ca -0.01 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 1abb h PHE 774 Cb 0.10 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1abb h PHE 774 CO 0.05 0.00 -0.26 0.00 -1.61 0.00 0.00 178.31 176.49 1abb h ALA 775 N 1.44 -1.19 0.00 2.45 0.00 -1.95 -3.13 119.26 116.88 1abb h ALA 775 Ca 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1abb h ALA 775 Cb 2.14 0.29 0.00 0.00 0.00 0.00 0.00 17.79 20.22 1abb h ALA 775 CO -0.01 -1.14 0.00 -0.25 0.00 0.00 0.00 179.25 177.85 1abb n ASP 776 N -3.97 0.00 0.30 0.00 8.00 0.19 -3.81 116.55 117.25 1abb n ASP 776 Ca -0.09 -1.02 -0.12 0.00 0.71 0.00 0.00 54.79 54.27 1abb n ASP 776 Cb 0.29 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 1abb n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1abb h TYR 777 N 0.00 -0.73 -0.25 1.24 3.20 -1.49 -1.06 116.97 117.87 1abb h TYR 777 Ca 0.00 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1abb h TYR 777 Cb 0.00 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 1abb h TYR 777 CO 0.00 -0.45 -0.21 1.49 -1.64 0.00 0.00 178.16 177.35 1abb h GLU 778 N -0.94 -0.20 -0.56 1.82 4.57 -1.80 0.13 114.58 117.60 1abb h GLU 778 Ca -0.08 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1abb h GLU 778 Cb 0.60 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1abb h GLU 778 CO 0.13 -0.13 0.34 1.49 -1.18 0.00 0.00 179.01 179.67 1abb h GLU 779 N -0.20 0.75 0.31 1.92 4.57 -1.81 -2.80 114.58 117.32 1abb h GLU 779 Ca 0.14 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1abb h GLU 779 Cb 0.42 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1abb h GLU 779 CO -0.37 0.52 -0.15 -0.92 -1.18 0.00 0.00 179.01 176.92 1abb h TYR 780 N 0.77 -0.38 0.00 0.92 3.20 0.53 -1.18 116.97 120.82 1abb h TYR 780 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1abb h TYR 780 Cb -0.04 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1abb h TYR 780 CO 0.00 -0.08 0.00 -0.39 -1.64 0.00 0.00 178.16 176.05 1abb h VAL 781 N -0.68 0.00 0.00 1.81 -1.51 -0.96 0.13 116.25 115.04 1abb h VAL 781 Ca -0.04 -0.14 -0.08 0.00 -1.23 0.00 0.00 66.70 65.21 1abb h VAL 781 Cb 0.47 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1abb h VAL 781 CO 0.07 0.00 -1.17 0.11 -1.23 0.00 0.00 177.57 175.35 1abb h LYS 782 N 0.00 0.00 0.02 5.19 1.79 -1.15 -2.74 116.57 119.68 1abb h LYS 782 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 1abb h LYS 782 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1abb h LYS 782 CO 0.00 0.13 -0.94 0.00 -1.08 0.00 0.00 179.45 177.57 1abb h GLN 784 N 0.13 0.81 0.00 0.00 1.08 -0.97 -1.46 115.11 114.70 1abb h GLN 784 Ca -0.06 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 56.76 1abb h GLN 784 Cb 1.58 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.99 1abb h GLN 784 CO 0.15 0.99 -0.10 0.93 -0.95 0.00 0.00 178.83 179.85 1abb h GLU 785 N 0.69 0.00 -0.26 1.46 5.08 -1.16 -0.90 114.58 119.49 1abb h GLU 785 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1abb h GLU 785 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1abb h GLU 785 CO 0.07 0.10 -0.25 0.00 -1.00 0.00 0.00 179.01 177.93 1abb h ARG 786 N 0.00 0.63 0.68 2.33 3.08 -1.08 -2.93 114.38 117.09 1abb h ARG 786 Ca -0.00 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 1abb h ARG 786 Cb 0.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1abb h ARG 786 CO 0.01 0.93 -0.37 0.28 -1.07 0.00 0.00 179.97 179.75 1abb h VAL 787 N 0.36 0.24 -0.50 2.04 2.07 -0.15 0.25 116.25 120.54 1abb h VAL 787 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1abb h VAL 787 Cb 0.81 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1abb h VAL 787 CO 0.06 0.00 0.20 0.28 0.02 0.00 0.00 177.57 178.13 1abb h SER 788 N -0.98 0.23 -0.20 0.57 0.02 -1.46 0.21 113.55 111.94 1abb h SER 788 Ca -0.09 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1abb h SER 788 Cb 0.77 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 1abb h SER 788 CO 0.12 0.16 -0.24 0.00 -1.14 0.00 0.00 176.83 175.72 1abb h ALA 789 N 1.32 -0.17 0.00 3.77 0.00 -1.39 -2.15 119.26 120.64 1abb h ALA 789 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1abb h ALA 789 Cb 0.23 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1abb h ALA 789 CO -0.23 -0.69 0.00 -0.11 0.00 0.00 0.00 179.25 178.23 1abb n LEU 790 N -5.37 0.61 0.01 0.00 7.94 0.30 -3.71 117.00 116.77 1abb n LEU 790 Ca -0.02 0.57 -0.12 0.00 -1.11 0.00 0.00 56.01 55.34 1abb n LEU 790 Cb 0.29 -0.40 -0.07 0.00 0.53 0.00 0.00 43.42 43.77 1abb n LEU 790 CO 0.16 -0.20 0.83 0.22 -1.11 0.00 0.00 177.39 177.28 1abb h TYR 791 N 0.00 0.07 0.00 1.96 3.20 -0.03 -3.15 116.97 119.02 1abb h TYR 791 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1abb h TYR 791 Cb 0.62 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1abb h TYR 791 CO 0.00 0.16 0.01 1.17 -1.64 0.00 0.00 178.16 177.87 1abb n LYS 792 N -4.99 0.60 -2.69 1.82 4.81 -1.22 -2.40 118.16 114.08 1abb n LYS 792 Ca -0.06 -0.10 -0.07 0.00 -0.87 0.00 0.00 58.31 57.21 1abb n LYS 792 Cb 0.09 -1.35 0.10 0.00 0.02 0.00 0.00 35.03 33.89 1abb n LYS 792 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1abb n ASN 793 N 1.95 -1.14 -0.40 3.14 5.15 -1.19 -5.04 115.26 117.73 1abb n ASN 793 Ca 0.04 -2.47 0.33 0.00 -0.60 0.00 0.00 54.58 51.88 1abb n ASN 793 Cb 0.29 0.65 0.60 0.00 -0.53 0.00 0.00 39.78 40.80 1abb n ASN 793 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1abb h PRO 794 N 2.11 0.16 -0.22 1.20 0.11 -1.71 0.82 132.00 134.47 1abb h PRO 794 Ca -0.26 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.86 1abb h PRO 794 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1abb h PRO 794 CO 0.03 0.11 0.07 -0.09 -0.21 0.00 0.00 178.00 177.91 1abb h ARG 795 N 0.17 0.17 0.24 1.05 2.43 -1.94 0.12 114.38 116.61 1abb h ARG 795 Ca 0.76 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 59.59 1abb h ARG 795 Cb 2.25 -0.04 0.03 0.00 -0.42 0.00 0.00 29.97 31.80 1abb h ARG 795 CO -0.41 0.11 -1.49 0.93 -1.51 0.00 0.00 179.97 177.59 1abb h GLU 796 N 0.17 0.51 -0.71 0.20 4.39 0.28 -2.36 114.58 117.06 1abb h GLU 796 Ca 0.09 -0.87 0.16 0.00 0.34 0.00 0.00 59.36 59.08 1abb h GLU 796 Cb 0.06 0.32 -0.11 0.00 -0.10 0.00 0.00 28.75 28.93 1abb h GLU 796 CO -0.10 1.42 0.10 2.35 -1.16 0.00 0.00 179.01 181.62 1abb h TRP 797 N 0.14 0.13 0.00 4.33 7.01 -1.11 0.50 115.95 126.95 1abb h TRP 797 Ca -0.26 0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.79 1abb h TRP 797 Cb 2.15 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 29.27 1abb h TRP 797 CO 0.12 -0.14 0.00 1.15 -2.79 0.00 0.00 178.44 176.78 1abb h THR 798 N 0.19 0.00 0.02 2.65 2.02 -0.77 -3.03 112.91 113.99 1abb h THR 798 Ca 0.40 -0.61 -0.21 0.00 0.77 0.00 0.00 66.41 66.75 1abb h THR 798 Cb 0.68 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1abb h THR 798 CO -0.55 0.00 -0.97 0.03 0.37 0.00 0.00 175.52 174.39 1abb h ARG 799 N 0.00 0.11 0.01 6.66 3.08 0.52 -2.32 114.38 122.43 1abb h ARG 799 Ca 0.00 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1abb h ARG 799 Cb 0.67 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1abb h ARG 799 CO 0.00 0.99 -0.00 1.98 -1.07 0.00 0.00 179.97 181.87 1abb h MET 800 N 0.04 -0.01 -0.63 0.04 4.05 -1.19 -3.17 114.93 114.07 1abb h MET 800 Ca -0.04 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.50 1abb h MET 800 Cb 1.67 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 32.35 1abb h MET 800 CO 0.14 0.53 -0.17 0.28 0.23 0.00 0.00 176.91 177.92 1abb h VAL 801 N -0.55 0.35 -0.77 -5.77 2.07 -1.56 0.43 116.25 110.45 1abb h VAL 801 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1abb h VAL 801 Cb 0.54 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1abb h VAL 801 CO 0.00 0.00 0.51 0.40 0.02 0.00 0.00 177.57 178.50 1abb h ILE 802 N -0.01 0.90 -0.15 4.57 2.04 -1.40 0.20 117.51 123.65 1abb h ILE 802 Ca 0.30 -0.21 -0.21 0.00 1.00 0.00 0.00 64.86 65.74 1abb h ILE 802 Cb 0.47 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1abb h ILE 802 CO -0.66 0.11 -0.71 0.03 0.00 0.00 0.00 178.15 176.93 1abb h ARG 803 N 0.62 0.75 -0.35 2.37 3.08 -0.29 -0.54 114.38 120.02 1abb h ARG 803 Ca 0.36 -0.60 0.01 0.00 0.07 0.00 0.00 59.98 59.82 1abb h ARG 803 Cb 0.57 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1abb h ARG 803 CO -0.14 1.21 0.22 -0.91 -1.07 0.00 0.00 179.97 179.28 1abb h ASN 804 N 0.47 0.36 -0.28 7.04 2.35 0.24 -2.86 115.58 122.90 1abb h ASN 804 Ca -0.05 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1abb h ASN 804 Cb 1.34 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 1abb h ASN 804 CO 0.15 0.26 0.09 0.40 -1.65 0.00 0.00 177.43 176.68 1abb h ILE 805 N 0.44 1.20 -0.67 2.81 2.04 -0.66 -2.15 117.51 120.51 1abb h ILE 805 Ca 0.14 -0.62 0.17 0.00 1.00 0.00 0.00 64.86 65.55 1abb h ILE 805 Cb -0.02 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1abb h ILE 805 CO -0.05 0.21 0.47 0.00 0.00 0.00 0.00 178.15 178.78 1abb h ALA 806 N 0.93 2.45 -0.00 1.87 0.00 -0.98 -0.86 119.26 122.67 1abb h ALA 806 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1abb h ALA 806 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1abb h ALA 806 CO -0.00 -0.64 -0.45 -2.37 0.00 0.00 0.00 179.25 175.78 1abb n THR 807 N -4.39 0.00 0.27 0.00 5.66 -0.82 -0.31 114.28 114.69 1abb n THR 807 Ca 0.13 -0.07 0.16 0.00 -3.05 0.00 0.00 64.05 61.22 1abb n THR 807 Cb 0.66 0.46 0.83 0.00 -1.55 0.00 0.00 70.33 70.72 1abb n THR 807 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1abb h SER 808 N 0.66 0.00 0.00 1.09 0.02 -1.10 -3.39 113.55 110.83 1abb h SER 808 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1abb h SER 808 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1abb h SER 808 CO 0.00 0.00 0.01 0.61 -1.14 0.00 0.00 176.83 176.31 1abb n GLY 809 N -0.95 -0.51 0.19 -3.77 0.00 -1.26 0.03 105.19 98.92 1abb n GLY 809 Ca -0.01 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1abb n GLY 809 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1abb h LYS 810 N 0.00 0.00 -1.64 1.61 3.11 -1.94 -3.31 116.57 114.40 1abb h LYS 810 Ca 0.00 0.00 -0.37 0.00 -2.81 0.00 0.00 60.65 57.47 1abb h LYS 810 Cb 0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 31.10 1abb h LYS 810 CO 0.00 0.00 0.40 1.19 -2.81 0.00 0.00 179.45 178.23 1abb n PHE 811 N -2.88 1.55 -4.89 1.91 3.72 0.10 -4.77 117.46 112.20 1abb n PHE 811 Ca 0.04 -1.97 -0.27 0.00 -0.05 0.00 0.00 57.45 55.20 1abb n PHE 811 Cb 0.50 -1.08 -0.16 0.00 -0.94 0.00 0.00 39.48 37.79 1abb n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1abb s SER 812 N 0.22 2.30 0.40 4.37 0.15 -1.25 -3.51 113.70 116.39 1abb s SER 812 Ca 0.39 -0.38 0.13 0.00 0.70 0.00 0.00 55.95 56.79 1abb s SER 812 Cb 0.28 -0.71 0.96 0.00 -1.71 0.00 0.00 66.02 64.85 1abb s SER 812 CO -0.06 0.15 1.90 0.77 1.20 0.00 0.00 173.24 177.21 1abb h SER 813 N 6.32 0.49 -0.82 5.45 4.64 -0.15 -0.39 113.55 129.10 1abb h SER 813 Ca -0.31 0.03 0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1abb h SER 813 Cb 1.18 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 1abb h SER 813 CO 0.48 0.25 0.53 0.44 -0.87 0.00 0.00 176.83 177.66 1abb h ASP 814 N 0.52 0.55 0.53 4.97 3.32 -1.92 0.20 116.42 124.60 1abb h ASP 814 Ca 0.40 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.45 1abb h ASP 814 Cb 0.80 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.27 1abb h ASP 814 CO -0.15 0.29 -0.26 -0.09 -1.72 0.00 0.00 179.24 177.32 1abb h ARG 815 N 0.59 -0.69 -0.95 3.56 1.12 -1.42 0.53 114.38 117.12 1abb h ARG 815 Ca 0.40 0.05 0.29 0.00 -1.11 0.00 0.00 59.98 59.61 1abb h ARG 815 Cb 0.71 0.16 -0.15 0.00 -0.01 0.00 0.00 29.97 30.68 1abb h ARG 815 CO -0.16 -0.44 0.37 1.15 -3.11 0.00 0.00 179.97 177.78 1abb h THR 816 N -1.18 0.24 -0.20 0.20 2.02 -0.67 0.47 112.91 113.80 1abb h THR 816 Ca -0.07 -0.07 -0.21 0.00 0.77 0.00 0.00 66.41 66.83 1abb h THR 816 Cb 0.56 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1abb h THR 816 CO 0.12 0.04 -0.69 0.40 0.37 0.00 0.00 175.52 175.76 1abb h ILE 817 N 0.21 1.28 -0.80 3.11 1.08 -0.48 -2.51 117.51 119.39 1abb h ILE 817 Ca 0.66 -1.88 0.14 0.00 -0.39 0.00 0.00 64.86 63.39 1abb h ILE 817 Cb 1.47 1.88 -0.09 0.00 -3.07 0.00 0.00 36.82 37.00 1abb h ILE 817 CO -0.68 0.60 0.38 0.00 -0.69 0.00 0.00 178.15 177.76 1abb h ALA 818 N 0.59 1.17 -0.12 1.87 0.00 0.22 0.19 119.26 123.18 1abb h ALA 818 Ca -0.03 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1abb h ALA 818 Cb 1.31 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1abb h ALA 818 CO 0.15 -0.13 -0.20 1.96 0.00 0.00 0.00 179.25 181.03 1abb h GLN 819 N 0.56 0.36 -0.89 0.00 4.20 -1.21 0.34 115.11 118.46 1abb h GLN 819 Ca 0.43 -0.22 0.09 0.00 0.06 0.00 0.00 58.65 59.01 1abb h GLN 819 Cb 0.61 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 1abb h GLN 819 CO -0.37 0.80 0.57 1.88 -0.67 0.00 0.00 178.83 181.05 1abb h TYR 820 N -0.05 0.97 0.50 2.96 -1.99 -0.71 0.18 116.97 118.82 1abb h TYR 820 Ca 0.01 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1abb h TYR 820 Cb 0.78 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.17 1abb h TYR 820 CO 0.10 0.46 -0.47 0.00 -0.00 0.00 0.00 178.16 178.25 1abb h ALA 821 N 1.55 -1.14 0.00 3.88 0.00 -0.57 0.72 119.26 123.69 1abb h ALA 821 Ca 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1abb h ALA 821 Cb 0.35 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1abb h ALA 821 CO -0.17 -1.16 -0.00 0.00 0.00 0.00 0.00 179.25 177.92 1abb h ARG 822 N -0.96 -0.00 0.00 0.00 3.08 0.18 0.33 114.38 117.01 1abb h ARG 822 Ca -0.06 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.70 1abb h ARG 822 Cb 0.83 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 1abb h ARG 822 CO -0.04 0.63 -1.63 0.93 -1.07 0.00 0.00 179.97 178.79 1abb h GLU 823 N -0.64 0.01 0.00 0.04 5.08 -0.73 -3.38 114.58 114.96 1abb h GLU 823 Ca -0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1abb h GLU 823 Cb 0.63 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1abb h GLU 823 CO 0.00 0.58 -1.51 -0.89 -1.00 0.00 0.00 179.01 176.19 1abb n ILE 824 N -3.10 1.51 0.10 3.13 5.41 -0.64 -4.83 119.36 120.95 1abb n ILE 824 Ca -0.15 -0.03 -0.22 0.00 1.00 0.00 0.00 62.75 63.35 1abb n ILE 824 Cb 1.04 -2.20 -0.15 0.00 -0.71 0.00 0.00 39.64 37.62 1abb n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1abb h TRP 825 N -1.00 0.75 -0.09 1.39 6.55 0.53 -3.49 115.95 120.59 1abb h TRP 825 Ca -0.23 -0.55 0.00 0.00 0.95 0.00 0.00 58.89 59.06 1abb h TRP 825 Cb 1.20 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.47 1abb h TRP 825 CO -0.32 1.55 0.00 0.41 -1.05 0.00 0.00 178.44 179.03 1abb n GLY 826 N 1.74 0.98 2.89 1.49 0.00 0.11 -5.01 105.19 107.39 1abb n GLY 826 Ca -0.19 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1abb n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1abb s VAL 827 N -2.05 0.07 -0.04 1.61 -7.23 -0.94 -5.04 120.40 106.78 1abb s VAL 827 Ca 0.00 -0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 59.88 1abb s VAL 827 Cb 0.00 -0.09 -0.05 0.00 0.56 0.00 0.00 36.38 36.80 1abb s VAL 827 CO 0.00 -0.03 0.45 -1.61 -0.31 0.00 0.00 175.10 173.59 1abb s GLU 828 N -0.17 4.12 0.00 4.82 0.41 -1.26 -3.46 118.70 123.16 1abb s GLU 828 Ca -0.01 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 1abb s GLU 828 Cb -0.01 -3.31 0.00 0.00 -1.78 0.00 0.00 34.13 29.03 1abb s GLU 828 CO -0.00 0.48 0.00 -2.30 -0.49 0.00 0.00 175.26 172.95 1abb n PRO 829 N 2.54 -1.47 -3.48 0.39 -0.02 -1.26 -4.92 135.00 126.77 1abb n PRO 829 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1abb n PRO 829 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.95 1abb n PRO 829 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1abb s SER 830 N -1.74 -0.59 -0.03 2.55 0.15 0.08 -4.99 113.70 109.13 1abb s SER 830 Ca 0.00 0.84 0.14 0.00 0.70 0.00 0.00 55.95 57.63 1abb s SER 830 Cb 0.00 1.57 0.45 0.00 -1.71 0.00 0.00 66.02 66.33 1abb s SER 830 CO 0.00 -0.12 1.35 0.54 1.20 0.00 0.00 173.24 176.21 1abb n ARG 831 N 4.64 2.45 -0.72 5.44 1.74 -1.26 -3.46 116.66 125.49 1abb n ARG 831 Ca -0.12 -1.82 -0.32 0.00 -0.77 0.00 0.00 57.85 54.82 1abb n ARG 831 Cb 0.54 -1.52 0.15 0.00 -1.02 0.00 0.00 32.46 30.61 1abb n ARG 831 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1abb n GLN 832 N 0.81 -0.61 -3.95 5.56 7.27 -1.26 -4.99 117.38 120.22 1abb n GLN 832 Ca 0.17 -0.13 -0.35 0.00 0.07 0.00 0.00 57.00 56.76 1abb n GLN 832 Cb 0.51 -2.05 -0.10 0.00 2.41 0.00 0.00 30.24 31.01 1abb n GLN 832 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1abb s ARG 833 N -4.03 3.93 0.05 3.69 3.00 -1.26 -4.72 118.95 119.61 1abb s ARG 833 Ca 0.61 -0.36 -0.30 0.00 0.00 0.00 0.00 55.73 55.68 1abb s ARG 833 Cb -0.21 -3.26 -0.05 0.00 0.00 0.00 0.00 34.95 31.43 1abb s ARG 833 CO 0.64 0.18 1.13 -1.17 0.00 0.00 0.00 175.30 176.09 1abb s LEU 834 N 0.62 4.38 0.00 2.53 2.96 0.16 -4.99 118.68 124.34 1abb s LEU 834 Ca 0.04 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 1abb s LEU 834 Cb -0.13 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1abb s LEU 834 CO 0.01 -0.40 0.55 -0.81 -1.32 0.00 0.00 176.35 174.38 1abb n PRO 835 N 3.85 0.00 0.00 0.98 -0.04 -1.26 -4.46 135.00 134.07 1abb n PRO 835 Ca 0.08 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1abb n PRO 835 Cb 0.48 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1abb n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1abb n ALA 836 N -0.89 0.00 0.00 0.55 0.00 -1.26 -4.95 120.51 113.95 1abb n ALA 836 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1abb n ALA 836 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1abb n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15