#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2off s ILE 13 N 0.00 3.91 0.14 1.69 -4.36 -1.26 -5.06 121.20 116.25 2off s ILE 13 Ca 0.00 -0.89 -0.17 0.00 -0.26 0.00 0.00 60.65 59.34 2off s ILE 13 Cb 0.00 -2.80 -0.01 0.00 1.25 0.00 0.00 42.46 40.90 2off s ILE 13 CO 0.00 0.23 1.73 -1.28 0.24 0.00 0.00 174.94 175.86 2off h SER 14 N 3.88 0.48 0.35 4.36 0.87 -1.96 -2.92 113.55 118.62 2off h SER 14 Ca -0.48 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2off h SER 14 Cb 1.17 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2off h SER 14 CO 0.57 0.45 0.00 -0.37 -0.53 0.00 0.00 176.83 176.95 2off h VAL 15 N 0.47 0.00 -0.03 2.23 -1.51 -1.95 -2.05 116.25 113.42 2off h VAL 15 Ca 0.13 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2off h VAL 15 Cb 0.09 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 2off h VAL 15 CO -0.02 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.86 2off n ARG 16 N -2.43 1.17 0.00 5.19 1.74 -1.10 -5.03 116.66 116.21 2off n ARG 16 Ca -0.00 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 2off n ARG 16 Cb 0.13 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2off n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2off n GLY 17 N 0.94 -3.11 3.79 -0.13 0.00 -0.77 -1.80 105.19 104.10 2off n GLY 17 Ca 0.17 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2off n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2off s LEU 18 N 0.00 4.49 -0.75 0.99 2.01 -1.26 -4.66 118.68 119.50 2off s LEU 18 Ca 0.00 1.62 0.04 0.00 0.01 0.00 0.00 54.13 55.80 2off s LEU 18 Cb 0.00 -3.50 0.25 0.00 0.01 0.00 0.00 46.19 42.95 2off s LEU 18 CO 0.00 0.12 0.84 0.00 1.01 0.00 0.00 176.35 178.32 2off n ALA 19 N 1.19 4.16 -1.41 4.21 0.00 -1.26 -3.82 120.51 123.58 2off n ALA 19 Ca -0.03 -4.74 -0.31 0.00 0.00 0.00 0.00 53.44 48.36 2off n ALA 19 Cb 0.49 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.79 2off n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2off s GLY 20 N -2.03 1.67 0.11 0.00 0.00 -1.26 -4.88 107.32 100.92 2off s GLY 20 Ca 0.36 0.17 -0.19 0.00 0.00 0.00 0.00 44.72 45.05 2off s GLY 20 CO -0.02 0.50 1.71 -2.08 0.00 0.00 0.00 173.10 173.21 2off h VAL 21 N -0.94 1.11 -0.57 1.40 2.07 -1.99 -1.72 116.25 115.60 2off h VAL 21 Ca -0.44 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2off h VAL 21 Cb 1.22 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2off h VAL 21 CO 0.54 0.11 0.26 -0.08 0.02 0.00 0.00 177.57 178.42 2off h GLU 22 N 0.24 0.83 -0.19 1.57 4.57 -2.00 -2.58 114.58 117.03 2off h GLU 22 Ca 0.08 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 2off h GLU 22 Cb 0.07 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2off h GLU 22 CO -0.01 0.69 -0.09 -0.91 -1.18 0.00 0.00 179.01 177.51 2off h ASN 23 N 0.78 0.41 -0.82 1.04 4.21 -1.93 -2.27 115.58 117.00 2off h ASN 23 Ca 0.19 -0.41 -0.04 0.00 1.21 0.00 0.00 56.30 57.26 2off h ASN 23 Cb 0.14 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.19 2off h ASN 23 CO -0.02 0.73 0.36 0.58 -1.29 0.00 0.00 177.43 177.78 2off h VAL 24 N 0.09 1.26 -0.37 2.81 2.07 -1.33 -0.35 116.25 120.43 2off h VAL 24 Ca 0.04 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2off h VAL 24 Cb 0.57 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2off h VAL 24 CO 0.03 0.33 0.06 0.74 0.02 0.00 0.00 177.57 178.74 2off h THR 25 N 1.18 1.24 -0.55 2.57 2.02 -1.48 -1.82 112.91 116.07 2off h THR 25 Ca 0.28 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 2off h THR 25 Cb 0.17 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2off h THR 25 CO -0.03 0.29 0.09 -0.08 0.37 0.00 0.00 175.52 176.17 2off h GLU 26 N 0.46 0.91 -0.65 6.66 4.57 -1.18 -2.70 114.58 122.65 2off h GLU 26 Ca 0.11 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 2off h GLU 26 Cb 0.36 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2off h GLU 26 CO 0.01 0.88 0.29 -0.07 -1.18 0.00 0.00 179.01 178.94 2off h LEU 27 N 0.81 0.87 -0.83 1.64 3.38 -0.98 -2.35 115.31 117.85 2off h LEU 27 Ca 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2off h LEU 27 Cb 0.40 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2off h LEU 27 CO 0.01 0.78 0.38 0.11 0.09 0.00 0.00 178.44 179.81 2off h LYS 28 N 0.91 1.20 -0.04 1.13 1.57 -1.23 -1.08 116.57 119.03 2off h LYS 28 Ca 0.22 -0.19 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 2off h LYS 28 Cb 0.16 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2off h LYS 28 CO -0.02 0.94 -0.84 1.57 -0.57 0.00 0.00 179.45 180.52 2off h LYS 29 N 1.18 0.41 -0.24 3.15 2.10 -1.36 -2.23 116.57 119.58 2off h LYS 29 Ca 0.28 -0.39 -0.12 0.00 -2.00 0.00 0.00 60.65 58.42 2off h LYS 29 Cb 0.14 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2off h LYS 29 CO -0.03 1.05 -0.35 -0.91 -2.00 0.00 0.00 179.45 177.21 2off h ASN 30 N 0.26 0.54 -0.53 7.07 2.35 -1.35 -0.09 115.58 123.83 2off h ASN 30 Ca -0.06 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2off h ASN 30 Cb 1.45 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 2off h ASN 30 CO 0.15 0.85 0.33 0.15 -1.65 0.00 0.00 177.43 177.26 2off h PHE 31 N 0.44 0.69 -0.09 1.19 3.57 -1.15 -0.59 116.94 121.00 2off h PHE 31 Ca 0.05 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 2off h PHE 31 Cb 0.82 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2off h PHE 31 CO 0.03 0.46 -0.53 -0.91 -2.23 0.00 0.00 178.31 175.13 2off h ASN 32 N 0.72 0.29 -0.35 0.41 2.35 -1.25 -1.54 115.58 116.22 2off h ASN 32 Ca 0.19 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2off h ASN 32 Cb -0.04 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2off h ASN 32 CO -0.04 0.77 0.10 -0.09 -1.65 0.00 0.00 177.43 176.52 2off h ARG 33 N 0.21 0.54 -0.39 0.81 2.43 -0.78 -2.40 114.38 114.80 2off h ARG 33 Ca 0.00 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 2off h ARG 33 Cb 1.00 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2off h ARG 33 CO 0.08 0.58 -0.18 0.45 -1.51 0.00 0.00 179.97 179.39 2off h HIS 34 N 0.41 0.93 -0.71 2.20 3.86 -1.01 0.11 115.15 120.94 2off h HIS 34 Ca 0.11 -0.23 0.08 0.00 -1.16 0.00 0.00 60.37 59.17 2off h HIS 34 Cb 0.26 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.45 2off h HIS 34 CO 0.01 0.98 0.38 1.25 0.86 0.00 0.00 177.93 181.41 2off h LEU 35 N 0.62 0.53 0.10 2.43 5.85 -1.29 -0.03 115.31 123.51 2off h LEU 35 Ca 0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2off h LEU 35 Cb 0.73 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2off h LEU 35 CO 0.06 0.32 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.69 2off h HIS 36 N 0.66 -0.13 0.21 1.25 2.76 -1.29 -1.18 115.15 117.44 2off h HIS 36 Ca 0.34 -0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.17 2off h HIS 36 Cb 0.30 0.04 0.02 0.00 1.55 0.00 0.00 27.41 29.32 2off h HIS 36 CO -0.09 0.02 -1.58 0.74 -1.30 0.00 0.00 177.93 175.72 2off h PHE 37 N -1.02 0.80 0.07 5.26 0.04 -0.84 -2.50 116.94 118.76 2off h PHE 37 Ca -0.01 -0.58 -0.16 0.00 2.80 0.00 0.00 57.97 60.01 2off h PHE 37 Cb 0.20 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 2off h PHE 37 CO 0.03 1.57 -0.79 1.15 -0.60 0.00 0.00 178.31 179.66 2off h THR 38 N 0.12 1.38 0.00 -1.55 2.02 -1.18 -3.38 112.91 110.32 2off h THR 38 Ca -0.28 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.51 2off h THR 38 Cb 2.12 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 71.51 2off h THR 38 CO 0.22 0.62 -0.85 0.18 0.37 0.00 0.00 175.52 176.06 2off n LEU 39 N -4.27 0.79 -3.53 2.58 4.77 -0.20 -5.00 117.00 112.15 2off n LEU 39 Ca -0.18 -0.30 -0.19 0.00 -0.03 0.00 0.00 56.01 55.30 2off n LEU 39 Cb 0.72 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.79 2off n LEU 39 CO 0.38 0.19 0.08 0.52 -1.33 0.00 0.00 177.39 177.23 2off n VAL 40 N -1.54 -5.14 -4.22 4.08 0.31 -0.94 -4.98 118.33 105.91 2off n VAL 40 Ca 0.04 -0.43 -0.12 0.00 -0.01 0.00 0.00 64.34 63.82 2off n VAL 40 Cb 0.34 -4.50 -0.10 0.00 -0.91 0.00 0.00 33.84 28.67 2off n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2off s LYS 41 N -5.67 1.04 0.37 5.55 -0.14 -0.47 -5.02 119.74 115.40 2off s LYS 41 Ca 0.09 -1.49 0.02 0.00 -1.36 0.00 0.00 55.97 53.24 2off s LYS 41 Cb -0.04 -0.19 -0.01 0.00 -1.68 0.00 0.00 37.83 35.91 2off s LYS 41 CO 0.75 -0.13 0.08 -0.40 -0.76 0.00 0.00 175.35 174.90 2off n ASP 42 N -0.19 1.80 0.11 2.83 5.68 -1.26 -3.68 116.55 121.84 2off n ASP 42 Ca -0.07 -2.83 0.11 0.00 -0.50 0.00 0.00 54.79 51.50 2off n ASP 42 Cb 0.63 0.69 0.46 0.00 -1.14 0.00 0.00 41.12 41.75 2off n ASP 42 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2off n ARG 43 N -0.86 0.15 0.08 0.11 5.12 -1.26 -1.66 116.66 118.34 2off n ARG 43 Ca -0.09 0.43 -0.12 0.00 -1.93 0.00 0.00 57.85 56.13 2off n ARG 43 Cb 0.52 -1.81 -0.06 0.00 -1.16 0.00 0.00 32.46 29.95 2off n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2off h ASN 44 N 0.00 0.42 -0.00 0.55 2.35 -2.05 -3.39 115.58 113.46 2off h ASN 44 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2off h ASN 44 Cb 0.29 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2off h ASN 44 CO 0.00 1.19 -0.21 1.33 -1.65 0.00 0.00 177.43 178.09 2off n VAL 45 N -3.66 0.00 -1.98 2.81 0.24 -1.02 -5.03 118.33 109.68 2off n VAL 45 Ca -0.06 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.34 61.43 2off n VAL 45 Cb 0.87 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 34.24 2off n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2off s ALA 46 N -1.34 3.63 0.45 2.33 0.00 -0.67 -4.93 121.76 121.24 2off s ALA 46 Ca 0.03 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 2off s ALA 46 Cb 0.04 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2off s ALA 46 CO 0.19 -0.78 0.70 0.95 0.00 0.00 0.00 175.76 176.82 2off s THR 47 N -0.09 4.40 0.47 0.00 -4.23 -1.26 -4.97 115.64 109.96 2off s THR 47 Ca 0.59 -0.27 0.18 0.00 -1.18 0.00 0.00 61.69 61.01 2off s THR 47 Cb -0.43 -3.64 0.35 0.00 1.34 0.00 0.00 72.50 70.12 2off s THR 47 CO 0.45 -0.51 2.00 -0.65 -0.54 0.00 0.00 174.62 175.36 2off h PRO 48 N 0.36 0.23 -0.59 3.99 0.11 -2.00 -1.14 132.00 132.96 2off h PRO 48 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2off h PRO 48 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2off h PRO 48 CO 0.60 0.15 0.05 -0.09 -0.21 0.00 0.00 178.00 178.50 2off h ARG 49 N 0.24 0.99 -0.96 1.05 2.43 -1.97 -1.74 114.38 114.41 2off h ARG 49 Ca 0.25 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2off h ARG 49 Cb 0.66 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 2off h ARG 49 CO -0.05 0.94 0.63 -0.44 -1.51 0.00 0.00 179.97 179.54 2off h ASP 50 N 0.92 1.04 -0.59 -3.80 3.45 -1.60 -1.94 116.42 113.90 2off h ASP 50 Ca 0.18 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.54 2off h ASP 50 Cb 0.46 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 2off h ASP 50 CO 0.02 0.71 0.00 1.88 -1.57 0.00 0.00 179.24 180.28 2off h TYR 51 N 1.21 1.13 -0.29 4.55 0.05 -0.94 -0.89 116.97 121.78 2off h TYR 51 Ca 0.38 -0.20 0.02 0.00 0.05 0.00 0.00 58.73 58.99 2off h TYR 51 Cb 0.01 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 2off h TYR 51 CO -0.01 1.00 0.15 -0.92 -1.05 0.00 0.00 178.16 177.33 2off h TYR 52 N 0.93 0.27 -0.54 4.88 3.20 -1.10 -2.22 116.97 122.40 2off h TYR 52 Ca 0.17 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2off h TYR 52 Cb 0.55 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2off h TYR 52 CO 0.04 0.15 0.09 0.74 -1.64 0.00 0.00 178.16 177.54 2off h PHE 53 N 0.31 0.89 -0.49 -3.82 -1.00 -1.12 0.15 116.94 111.86 2off h PHE 53 Ca 0.12 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 2off h PHE 53 Cb 0.04 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.32 2off h PHE 53 CO -0.09 0.77 0.28 0.00 -1.61 0.00 0.00 178.31 177.66 2off h ALA 54 N 1.28 0.62 -0.21 2.45 0.00 -1.06 -0.17 119.26 122.18 2off h ALA 54 Ca 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2off h ALA 54 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2off h ALA 54 CO 0.01 0.12 0.07 1.25 0.00 0.00 0.00 179.25 180.70 2off h LEU 55 N 0.65 0.30 -0.30 0.00 5.85 -1.03 -1.34 115.31 119.43 2off h LEU 55 Ca 0.17 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2off h LEU 55 Cb 0.01 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2off h LEU 55 CO -0.03 0.41 0.03 0.00 -0.34 0.00 0.00 178.44 178.51 2off h ALA 56 N 0.90 0.29 -0.31 1.25 0.00 -0.54 -0.65 119.26 120.19 2off h ALA 56 Ca 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2off h ALA 56 Cb 0.22 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2off h ALA 56 CO -0.00 -0.38 0.00 0.45 0.00 0.00 0.00 179.25 179.31 2off h HIS 57 N 0.12 0.49 -0.30 0.00 3.86 -0.98 -0.03 115.15 118.31 2off h HIS 57 Ca 0.14 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 2off h HIS 57 Cb 0.18 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2off h HIS 57 CO -0.20 0.49 0.04 1.15 0.86 0.00 0.00 177.93 180.26 2off h THR 58 N 0.46 1.24 -0.38 2.45 2.02 -0.45 -2.58 112.91 115.68 2off h THR 58 Ca 0.10 -0.84 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 2off h THR 58 Cb 0.30 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2off h THR 58 CO 0.01 0.27 -0.34 0.58 0.37 0.00 0.00 175.52 176.41 2off h VAL 59 N 0.32 1.28 -0.82 3.16 2.07 -0.91 -3.04 116.25 118.30 2off h VAL 59 Ca 0.09 -1.51 0.06 0.00 0.82 0.00 0.00 66.70 66.16 2off h VAL 59 Cb 0.37 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2off h VAL 59 CO 0.01 0.50 0.54 -0.09 0.02 0.00 0.00 177.57 178.55 2off h ARG 60 N 0.72 0.89 -0.97 1.57 2.43 -0.97 -1.60 114.38 116.45 2off h ARG 60 Ca 0.07 -0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 2off h ARG 60 Cb 0.91 -0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 30.17 2off h ARG 60 CO 0.08 0.59 0.61 -0.44 -1.51 0.00 0.00 179.97 179.30 2off h ASP 61 N 0.92 0.76 0.76 -3.80 3.45 -1.33 -1.15 116.42 116.03 2off h ASP 61 Ca 0.35 0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.78 2off h ASP 61 Cb 0.20 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 2off h ASP 61 CO -0.12 0.35 -0.46 0.45 -1.57 0.00 0.00 179.24 177.89 2off h HIS 62 N 0.78 0.00 -0.03 4.55 3.86 -1.39 -3.29 115.15 119.64 2off h HIS 62 Ca 0.51 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.71 2off h HIS 62 Cb 0.76 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 2off h HIS 62 CO -0.00 0.46 -0.04 -0.07 0.86 0.00 0.00 177.93 179.14 2off h LEU 63 N 0.00 0.09 -1.18 2.43 3.38 -1.10 -3.37 115.31 115.55 2off h LEU 63 Ca -0.00 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 2off h LEU 63 Cb 0.96 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2off h LEU 63 CO 0.06 0.58 -0.12 -0.37 0.09 0.00 0.00 178.44 178.67 2off h VAL 64 N -0.40 1.22 -0.28 1.22 -1.51 -1.49 0.35 116.25 115.36 2off h VAL 64 Ca 0.00 -0.95 0.01 0.00 -1.23 0.00 0.00 66.70 64.53 2off h VAL 64 Cb 0.55 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 2off h VAL 64 CO 0.01 0.31 0.18 1.23 -1.23 0.00 0.00 177.57 178.06 2off h GLY 65 N 0.88 0.39 1.69 5.19 0.00 -1.73 -1.03 103.07 108.46 2off h GLY 65 Ca 0.07 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 2off h GLY 65 CO 0.03 0.13 -0.40 3.21 0.00 0.00 0.00 176.54 179.51 2off h ARG 66 N 0.36 0.34 0.23 4.80 3.08 -1.56 -3.02 114.38 118.61 2off h ARG 66 Ca 0.10 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2off h ARG 66 Cb -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2off h ARG 66 CO -0.03 0.69 -0.16 2.35 -1.07 0.00 0.00 179.97 181.75 2off h TRP 67 N 0.29 -0.42 -0.84 3.04 7.01 -0.50 -1.25 115.95 123.27 2off h TRP 67 Ca 0.03 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2off h TRP 67 Cb 0.84 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 28.01 2off h TRP 67 CO 0.02 -0.25 0.48 0.82 -2.79 0.00 0.00 178.44 176.72 2off h ILE 68 N -0.39 1.24 0.00 2.65 2.04 -1.20 -2.28 117.51 119.56 2off h ILE 68 Ca -0.02 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 2off h ILE 68 Cb 0.34 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2off h ILE 68 CO 0.00 0.26 -0.37 0.08 0.00 0.00 0.00 178.15 178.12 2off h ARG 69 N 1.17 0.00 -0.03 2.37 0.11 -1.48 -1.91 114.38 114.61 2off h ARG 69 Ca 0.30 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.37 2off h ARG 69 Cb -0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 2off h ARG 69 CO -0.05 0.37 0.00 1.15 0.10 0.00 0.00 179.97 181.54 2off h THR 70 N 0.00 1.24 -0.34 0.08 2.02 -0.97 -0.38 112.91 114.56 2off h THR 70 Ca -0.00 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 2off h THR 70 Cb 1.27 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 2off h THR 70 CO 0.05 0.19 0.14 0.06 0.37 0.00 0.00 175.52 176.33 2off h GLN 71 N -0.24 0.47 0.01 6.66 3.07 -1.41 -1.22 115.11 122.45 2off h GLN 71 Ca 0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 2off h GLN 71 Cb 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.77 2off h GLN 71 CO 0.00 0.39 -0.00 0.37 0.09 0.00 0.00 178.83 179.67 2off h GLN 72 N 0.47 -0.01 -0.36 0.06 4.15 -1.30 -2.07 115.11 116.04 2off h GLN 72 Ca 0.12 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.60 2off h GLN 72 Cb 0.09 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.69 2off h GLN 72 CO -0.01 0.26 -0.43 1.25 -1.93 0.00 0.00 178.83 177.98 2off h HIS 73 N -0.28 -1.24 -0.53 3.99 2.76 -0.60 -1.29 115.15 117.96 2off h HIS 73 Ca -0.00 0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2off h HIS 73 Cb 0.28 0.59 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 2off h HIS 73 CO 0.02 -0.44 0.35 1.88 -1.30 0.00 0.00 177.93 178.43 2off h TYR 74 N -0.35 0.66 -0.61 5.26 0.05 -1.26 -0.77 116.97 119.95 2off h TYR 74 Ca 0.13 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.83 2off h TYR 74 Cb 0.59 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 2off h TYR 74 CO -0.60 0.41 0.00 -0.92 -1.05 0.00 0.00 178.16 176.00 2off h TYR 75 N 0.71 1.15 0.01 4.88 3.20 -0.60 0.20 116.97 126.52 2off h TYR 75 Ca 0.19 -0.20 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2off h TYR 75 Cb -0.07 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 37.90 2off h TYR 75 CO -0.00 1.01 -0.25 0.93 -1.64 0.00 0.00 178.16 178.22 2off h GLU 76 N 0.97 0.14 -0.03 1.82 4.39 -0.80 -3.32 114.58 117.76 2off h GLU 76 Ca 0.17 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2off h GLU 76 Cb 0.55 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2off h GLU 76 CO 0.03 0.96 -0.50 0.87 -1.16 0.00 0.00 179.01 179.20 2off h LYS 77 N -0.60 0.09 -6.05 2.33 1.57 -1.23 -3.48 116.57 109.20 2off h LYS 77 Ca -0.04 -0.05 -0.37 0.00 -1.87 0.00 0.00 60.65 58.32 2off h LYS 77 Cb 1.06 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.47 2off h LYS 77 CO 0.05 0.57 -0.88 -3.47 -0.57 0.00 0.00 179.45 175.16 2off n ASP 78 N -3.94 -5.74 -4.73 0.86 2.03 0.06 -4.99 116.55 100.09 2off n ASP 78 Ca -0.02 -0.90 -0.29 0.00 0.52 0.00 0.00 54.79 54.11 2off n ASP 78 Cb 0.53 -3.78 0.11 0.00 -0.72 0.00 0.00 41.12 37.26 2off n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2off s PRO 79 N -5.45 1.69 0.16 -0.67 0.04 -1.26 -4.99 135.00 124.52 2off s PRO 79 Ca 0.43 -0.05 -0.31 0.00 0.04 0.00 0.00 61.00 61.10 2off s PRO 79 Cb -0.13 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 2off s PRO 79 CO 0.83 -1.74 1.71 0.21 0.04 0.00 0.00 177.00 178.05 2off s LYS 80 N -5.61 4.16 -0.10 4.56 2.20 -1.26 -4.95 119.74 118.74 2off s LYS 80 Ca 0.64 2.52 -0.11 0.00 -0.36 0.00 0.00 55.97 58.66 2off s LYS 80 Cb -0.09 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 2off s LYS 80 CO 0.49 -0.74 0.26 1.03 -0.36 0.00 0.00 175.35 176.03 2off s ARG 81 N 1.73 3.83 -0.23 4.03 1.81 -0.14 -4.58 118.95 125.40 2off s ARG 81 Ca 0.75 0.08 -0.09 0.00 -1.72 0.00 0.00 55.73 54.75 2off s ARG 81 Cb -0.46 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 30.72 2off s ARG 81 CO 0.33 0.59 0.12 0.42 -0.68 0.00 0.00 175.30 176.08 2off s ILE 82 N -0.60 4.99 -0.32 1.52 -1.09 -0.54 -1.43 121.20 123.73 2off s ILE 82 Ca 0.18 0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.61 2off s ILE 82 Cb -0.14 -3.31 0.05 0.00 -1.58 0.00 0.00 42.46 37.48 2off s ILE 82 CO 0.06 0.36 0.04 -0.31 -1.23 0.00 0.00 174.94 173.86 2off s TYR 83 N 1.07 3.28 -0.50 3.97 2.02 0.85 -0.74 117.35 127.29 2off s TYR 83 Ca 0.06 -1.78 -0.19 0.00 -0.37 0.00 0.00 57.07 54.79 2off s TYR 83 Cb -0.14 -2.21 0.06 0.00 -0.40 0.00 0.00 41.96 39.27 2off s TYR 83 CO 0.04 -0.79 0.59 -0.47 -1.57 0.00 0.00 175.55 173.35 2off s TYR 84 N 1.29 3.08 -0.31 2.71 5.04 -0.40 -0.45 117.35 128.31 2off s TYR 84 Ca -0.04 -0.60 -0.16 0.00 -2.44 0.00 0.00 57.07 53.83 2off s TYR 84 Cb -0.20 -3.49 -0.02 0.00 0.35 0.00 0.00 41.96 38.61 2off s TYR 84 CO -0.00 -1.00 0.43 -0.51 -1.34 0.00 0.00 175.55 173.13 2off s LEU 85 N 2.48 4.22 -0.08 6.97 1.02 0.01 -1.57 118.68 131.73 2off s LEU 85 Ca 0.13 0.10 -0.09 0.00 0.02 0.00 0.00 54.13 54.29 2off s LEU 85 Cb -0.20 -2.48 0.02 0.00 0.02 0.00 0.00 46.19 43.55 2off s LEU 85 CO 0.11 -0.32 0.25 -0.55 0.02 0.00 0.00 176.35 175.86 2off s SER 86 N 1.69 -0.23 0.00 2.29 0.15 -0.89 -1.49 113.70 115.21 2off s SER 86 Ca 0.16 0.40 0.29 0.00 0.70 0.00 0.00 55.95 57.50 2off s SER 86 Cb -0.16 0.47 1.28 0.00 -1.71 0.00 0.00 66.02 65.90 2off s SER 86 CO 0.11 -0.15 1.91 0.18 1.20 0.00 0.00 173.24 176.49 2off n LEU 87 N 2.62 0.20 -3.80 3.45 7.99 -1.26 -4.05 117.00 122.15 2off n LEU 87 Ca -0.15 0.21 -0.16 0.00 -0.01 0.00 0.00 56.01 55.90 2off n LEU 87 Cb 0.58 -0.29 -0.16 0.00 -0.11 0.00 0.00 43.42 43.43 2off n LEU 87 CO 0.19 0.04 -0.37 -1.61 -1.51 0.00 0.00 177.39 174.13 2off s GLU 88 N -2.67 0.19 -0.29 3.23 2.02 -1.26 -4.70 118.70 115.23 2off s GLU 88 Ca 0.24 0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.34 2off s GLU 88 Cb 0.20 -0.41 0.09 0.00 0.10 0.00 0.00 34.13 34.10 2off s GLU 88 CO 0.50 -0.15 0.07 -0.06 0.02 0.00 0.00 175.26 175.65 2off s PHE 89 N 1.05 1.69 -1.13 1.61 0.40 -0.45 -4.59 117.98 116.56 2off s PHE 89 Ca -0.09 -1.62 -0.14 0.00 -0.60 0.00 0.00 56.93 54.47 2off s PHE 89 Cb -0.13 -1.62 0.18 0.00 0.51 0.00 0.00 43.02 41.96 2off s PHE 89 CO -0.02 -0.83 1.32 -0.47 0.70 0.00 0.00 175.22 175.92 2off s TYR 90 N 1.63 3.52 0.01 0.36 6.14 -0.25 -3.61 117.35 125.15 2off s TYR 90 Ca 0.07 -2.04 -0.02 0.00 0.64 0.00 0.00 57.07 55.72 2off s TYR 90 Cb -0.17 -4.24 -0.27 0.00 0.42 0.00 0.00 41.96 37.69 2off s TYR 90 CO -0.21 -1.36 0.88 0.52 0.64 0.00 0.00 175.55 176.03 2off h MET 91 N 7.45 0.22 0.00 4.97 2.86 -1.78 -3.41 114.93 125.24 2off h MET 91 Ca 0.26 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2off h MET 91 Cb 0.91 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2off h MET 91 CO 1.18 1.08 0.00 0.41 1.06 0.00 0.00 176.91 180.63 2off n GLY 92 N 1.64 0.03 3.82 8.32 0.00 -0.95 -4.83 105.19 113.22 2off n GLY 92 Ca -0.15 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 2off n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2off s ARG 93 N 0.00 3.76 -0.06 1.61 0.52 -1.26 -2.00 118.95 121.53 2off s ARG 93 Ca 0.00 1.08 0.08 0.00 -0.52 0.00 0.00 55.73 56.38 2off s ARG 93 Cb 0.00 -2.10 -0.12 0.00 0.52 0.00 0.00 34.95 33.24 2off s ARG 93 CO 0.00 -0.43 0.10 2.41 0.02 0.00 0.00 175.30 177.39 2off n THR 94 N -1.59 0.39 0.36 0.02 -1.04 -1.26 -4.66 114.28 106.49 2off n THR 94 Ca 0.07 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.05 61.60 2off n THR 94 Cb 0.54 -0.38 -0.09 0.00 -1.82 0.00 0.00 70.33 68.57 2off n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2off h LEU 95 N 0.00 -0.76 -0.63 -4.42 5.85 -1.96 -1.27 115.31 112.12 2off h LEU 95 Ca -0.15 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 2off h LEU 95 Cb 1.14 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 2off h LEU 95 CO 0.01 -0.48 0.21 -0.61 -0.34 0.00 0.00 178.44 177.23 2off h GLN 96 N -0.99 0.96 -0.81 1.25 4.15 -1.96 -2.22 115.11 115.49 2off h GLN 96 Ca -0.09 -0.20 0.09 0.00 0.77 0.00 0.00 58.65 59.22 2off h GLN 96 Cb 0.71 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.19 2off h GLN 96 CO 0.15 0.84 0.46 -0.97 -1.93 0.00 0.00 178.83 177.38 2off h ASN 97 N 0.89 0.66 -0.42 -0.69 -0.73 -1.81 -0.17 115.58 113.32 2off h ASN 97 Ca 0.20 0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.37 2off h ASN 97 Cb 0.27 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 2off h ASN 97 CO -0.01 0.38 0.05 0.74 -0.37 0.00 0.00 177.43 178.22 2off h THR 98 N 0.78 1.25 -0.35 -3.57 2.02 -0.84 -2.18 112.91 110.01 2off h THR 98 Ca 0.39 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 2off h THR 98 Cb 0.35 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2off h THR 98 CO -0.24 0.32 0.21 0.24 0.37 0.00 0.00 175.52 176.41 2off h MET 99 N 0.55 0.47 -0.16 6.66 2.86 -0.86 -1.83 114.93 122.63 2off h MET 99 Ca 0.12 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2off h MET 99 Cb 0.40 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 2off h MET 99 CO 0.01 0.36 -0.11 0.28 1.06 0.00 0.00 176.91 178.51 2off h VAL 100 N 0.45 0.67 0.00 -2.22 2.07 -0.98 0.88 116.25 117.12 2off h VAL 100 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2off h VAL 100 Cb 0.01 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2off h VAL 100 CO -0.02 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.35 2off h ASN 101 N -0.12 0.00 -0.16 0.57 4.21 -1.22 -2.70 115.58 116.16 2off h ASN 101 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2off h ASN 101 Cb 0.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 2off h ASN 101 CO -0.23 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.09 2off n LEU 102 N -2.36 2.79 -3.13 1.61 4.32 -0.70 -0.75 117.00 118.78 2off n LEU 102 Ca 0.03 -1.25 -0.22 0.00 -0.02 0.00 0.00 56.01 54.55 2off n LEU 102 Cb 0.32 -0.10 0.05 0.00 -1.62 0.00 0.00 43.42 42.08 2off n LEU 102 CO 0.25 0.55 0.11 0.00 -1.22 0.00 0.00 177.39 177.08 2off n ALA 103 N 1.07 -1.07 0.60 -1.18 0.00 -0.44 -4.92 120.51 114.58 2off n ALA 103 Ca 0.13 0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.96 2off n ALA 103 Cb 0.48 -4.45 -0.02 0.00 0.00 0.00 0.00 19.45 15.46 2off n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2off n LEU 104 N -4.28 1.24 -0.03 0.00 4.32 0.18 -4.46 117.00 113.97 2off n LEU 104 Ca -0.06 -0.70 -0.11 0.00 -0.02 0.00 0.00 56.01 55.13 2off n LEU 104 Cb 0.59 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.34 2off n LEU 104 CO 0.53 0.25 0.90 -0.08 -1.22 0.00 0.00 177.39 177.77 2off h GLU 105 N 1.14 0.20 -0.36 3.23 4.81 -1.62 -0.83 114.58 121.15 2off h GLU 105 Ca 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2off h GLU 105 Cb 0.42 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2off h GLU 105 CO 0.00 0.19 0.04 -0.91 -0.73 0.00 0.00 179.01 177.60 2off h ASN 106 N 0.16 0.58 -0.23 1.04 2.35 -1.62 -0.61 115.58 117.25 2off h ASN 106 Ca 0.05 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 55.58 2off h ASN 106 Cb 0.04 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 2off h ASN 106 CO -0.01 0.71 -0.11 0.00 -1.65 0.00 0.00 177.43 176.37 2off h ALA 107 N 0.89 0.08 -0.35 -0.83 0.00 -1.61 0.48 119.26 117.92 2off h ALA 107 Ca 0.11 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2off h ALA 107 Cb 0.39 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2off h ALA 107 CO 0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 179.25 178.62 2off h ASP 109 N 0.56 0.39 0.13 0.00 3.58 -0.67 -0.95 116.42 119.46 2off h ASP 109 Ca 0.10 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2off h ASP 109 Cb 0.52 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2off h ASP 109 CO 0.03 0.42 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.67 2off h GLU 110 N 0.34 -0.17 -0.61 0.28 4.57 -0.72 -1.91 114.58 116.36 2off h GLU 110 Ca 0.10 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.38 2off h GLU 110 Cb 0.14 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.70 2off h GLU 110 CO -0.01 0.07 0.25 0.00 -1.18 0.00 0.00 179.01 178.13 2off h ALA 111 N 0.45 0.80 -0.21 2.92 0.00 -0.87 -0.55 119.26 121.79 2off h ALA 111 Ca -0.02 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2off h ALA 111 Cb 0.31 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2off h ALA 111 CO 0.03 -0.16 -0.55 1.79 0.00 0.00 0.00 179.25 180.36 2off h THR 112 N 0.44 1.31 -0.41 0.00 1.35 -1.20 -2.69 112.91 111.71 2off h THR 112 Ca 0.30 -1.78 0.05 0.00 -0.55 0.00 0.00 66.41 64.43 2off h THR 112 Cb 0.35 1.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 2off h THR 112 CO -0.29 0.56 0.16 0.22 -0.25 0.00 0.00 175.52 175.92 2off h TYR 113 N 0.49 0.28 0.00 4.73 3.20 -0.82 0.22 116.97 125.07 2off h TYR 113 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2off h TYR 113 Cb 1.11 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 2off h TYR 113 CO 0.05 0.12 -0.07 1.96 -1.64 0.00 0.00 178.16 178.58 2off h GLN 114 N 0.33 0.00 -0.01 1.82 4.20 -1.03 -0.31 115.11 120.12 2off h GLN 114 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2off h GLN 114 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2off h GLN 114 CO -0.18 0.07 -0.10 1.28 -0.67 0.00 0.00 178.83 179.23 2off n LEU 115 N -3.35 0.93 0.00 1.46 4.32 -0.90 -4.93 117.00 114.52 2off n LEU 115 Ca -0.01 -0.24 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 2off n LEU 115 Cb 0.23 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2off n LEU 115 CO 0.27 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 2off n GLY 116 N 1.23 0.61 3.42 -0.72 0.00 -0.13 -5.07 105.19 104.53 2off n GLY 116 Ca 0.17 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2off n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2off s LEU 117 N 0.00 2.46 -0.34 0.99 1.43 0.73 -4.99 118.68 118.95 2off s LEU 117 Ca 0.00 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.30 2off s LEU 117 Cb 0.00 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 2off s LEU 117 CO 0.00 0.19 0.31 -0.62 0.23 0.00 0.00 176.35 176.46 2off s ASP 118 N -1.99 6.13 0.36 2.29 3.68 -1.26 -3.01 116.67 122.87 2off s ASP 118 Ca 0.15 -0.32 0.08 0.00 2.13 0.00 0.00 52.55 54.59 2off s ASP 118 Cb -0.10 -2.17 0.68 0.00 -1.45 0.00 0.00 42.92 39.87 2off s ASP 118 CO 0.07 -0.30 1.85 -0.03 0.13 0.00 0.00 175.17 176.89 2off h MET 119 N 8.48 0.26 -0.01 4.34 1.85 -1.91 -2.68 114.93 125.26 2off h MET 119 Ca -0.30 -0.07 -0.09 0.00 -0.61 0.00 0.00 59.70 58.62 2off h MET 119 Cb 1.15 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.14 2off h MET 119 CO 0.67 0.46 -0.44 0.93 -0.40 0.00 0.00 176.91 178.12 2off h GLU 120 N 0.24 0.02 -0.22 0.39 5.08 -1.99 -1.24 114.58 116.85 2off h GLU 120 Ca 0.04 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 2off h GLU 120 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2off h GLU 120 CO 0.03 0.46 -0.53 1.49 -1.00 0.00 0.00 179.01 179.47 2off h GLU 121 N 0.01 0.75 -0.81 2.33 4.81 -1.92 -3.11 114.58 116.65 2off h GLU 121 Ca -0.00 -0.51 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 2off h GLU 121 Cb 0.79 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 2off h GLU 121 CO 0.06 1.13 0.36 -0.07 -0.73 0.00 0.00 179.01 179.76 2off h LEU 122 N 0.48 1.09 -1.52 1.64 4.07 -1.26 -3.02 115.31 116.80 2off h LEU 122 Ca -0.00 -0.15 0.03 0.00 0.08 0.00 0.00 57.88 57.84 2off h LEU 122 Cb 1.14 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.57 2off h LEU 122 CO 0.12 0.94 0.36 -0.33 -1.08 0.00 0.00 178.44 178.44 2off h GLU 123 N 1.17 0.62 0.00 1.13 5.08 -1.19 -2.43 114.58 118.96 2off h GLU 123 Ca 0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2off h GLU 123 Cb 0.16 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2off h GLU 123 CO -0.03 0.41 0.00 0.39 -1.00 0.00 0.00 179.01 178.78 2off n GLU 124 N -4.47 0.07 0.06 2.33 -0.58 -1.14 -2.90 120.64 114.01 2off n GLU 124 Ca 0.06 0.28 -0.06 0.00 -0.42 0.00 0.00 57.16 57.02 2off n GLU 124 Cb 0.13 -1.62 -0.10 0.00 -0.57 0.00 0.00 31.44 29.28 2off n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2off h ILE 125 N 0.00 1.54 -2.97 -3.67 2.04 -1.54 -3.46 117.51 109.46 2off h ILE 125 Ca 0.00 -3.22 -0.52 0.00 1.00 0.00 0.00 64.86 62.12 2off h ILE 125 Cb 0.32 2.76 0.06 0.00 -0.74 0.00 0.00 36.82 39.22 2off h ILE 125 CO 0.00 0.88 0.91 -0.70 0.00 0.00 0.00 178.15 179.24 2off s GLU 126 N -2.74 4.16 0.31 2.37 2.12 -1.14 -4.99 118.70 118.79 2off s GLU 126 Ca 0.01 2.50 -0.28 0.00 0.36 0.00 0.00 54.97 57.56 2off s GLU 126 Cb 0.10 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.31 2off s GLU 126 CO 0.81 -0.64 1.03 -1.21 -0.54 0.00 0.00 175.26 174.71 2off s GLU 127 N 0.52 4.55 0.30 4.30 0.41 -1.26 -4.97 118.70 122.55 2off s GLU 127 Ca 0.69 1.60 -0.30 0.00 -0.41 0.00 0.00 54.97 56.55 2off s GLU 127 Cb -0.47 -2.98 -0.11 0.00 -1.78 0.00 0.00 34.13 28.79 2off s GLU 127 CO 0.38 0.19 1.57 -0.51 -0.49 0.00 0.00 175.26 176.39 2off s ASP 128 N -1.22 6.39 -1.02 -0.19 1.11 -1.26 -4.59 116.67 115.89 2off s ASP 128 Ca 0.48 2.94 -0.22 0.00 0.18 0.00 0.00 52.55 55.93 2off s ASP 128 Cb -0.26 -2.64 0.07 0.00 1.07 0.00 0.00 42.92 41.15 2off s ASP 128 CO 0.33 -0.89 1.41 0.00 1.18 0.00 0.00 175.17 177.20 2off s ALA 129 N -0.17 2.86 -0.86 5.23 0.00 -0.84 -4.90 121.76 123.07 2off s ALA 129 Ca 0.61 -2.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.16 2off s ALA 129 Cb -0.47 -4.45 0.17 0.00 0.00 0.00 0.00 23.12 18.37 2off s ALA 129 CO 0.50 -3.49 2.38 0.41 0.00 0.00 0.00 175.76 175.56 2off n GLY 130 N 6.57 5.09 1.92 0.00 0.00 -1.26 -2.23 105.19 115.28 2off n GLY 130 Ca 0.32 -2.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 2off n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2off n LEU 131 N 0.69 6.47 -3.82 0.99 4.77 -1.24 -0.88 117.00 123.99 2off n LEU 131 Ca 0.53 -3.33 -0.08 0.00 -0.03 0.00 0.00 56.01 53.10 2off n LEU 131 Cb 0.36 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 2off n LEU 131 CO 0.49 1.25 0.45 -0.83 -1.33 0.00 0.00 177.39 177.42 2off s GLY 132 N 0.20 -0.12 -0.22 -0.72 0.00 -1.26 -1.34 107.32 103.86 2off s GLY 132 Ca 0.32 -0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 2off s GLY 132 CO -0.01 -0.09 -0.05 0.70 0.00 0.00 0.00 173.10 173.64 2off n ASN 133 N -0.45 2.01 0.00 1.64 3.02 -1.26 -4.52 115.26 115.71 2off n ASN 133 Ca -0.05 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2off n ASN 133 Cb 0.60 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2off n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2off n GLY 134 N 1.97 1.05 0.15 7.41 0.00 -1.26 -4.91 105.19 109.60 2off n GLY 134 Ca -0.42 0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2off n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2off h GLY 135 N 0.00 0.44 1.00 -0.02 0.00 -1.98 -1.82 103.07 100.70 2off h GLY 135 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2off h GLY 135 CO 0.00 0.10 0.39 -2.00 0.00 0.00 0.00 176.54 175.03 2off h LEU 136 N 0.35 0.69 -0.34 3.11 6.46 -1.99 -0.30 115.31 123.30 2off h LEU 136 Ca 0.13 -0.02 -0.19 0.00 -0.12 0.00 0.00 57.88 57.68 2off h LEU 136 Cb 0.04 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 2off h LEU 136 CO -0.09 0.51 -0.81 1.23 -0.62 0.00 0.00 178.44 178.66 2off h GLY 137 N 0.81 0.38 1.82 3.75 0.00 -1.78 -3.00 103.07 105.06 2off h GLY 137 Ca 0.22 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 2off h GLY 137 CO -0.05 0.52 -0.72 -0.09 0.00 0.00 0.00 176.54 176.20 2off h ARG 138 N 0.21 0.17 -0.53 4.80 9.65 -1.17 -0.59 114.38 126.92 2off h ARG 138 Ca -0.04 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 2off h ARG 138 Cb 1.40 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.99 2off h ARG 138 CO 0.13 0.82 0.34 1.25 2.80 0.00 0.00 179.97 185.32 2off h LEU 139 N 0.11 0.61 -1.02 3.80 5.85 -1.05 -0.94 115.31 122.67 2off h LEU 139 Ca -0.02 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2off h LEU 139 Cb 1.28 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 2off h LEU 139 CO 0.11 0.45 0.65 0.00 -0.34 0.00 0.00 178.44 179.30 2off h ALA 140 N 1.19 1.43 -0.29 1.25 0.00 -1.41 0.74 119.26 122.16 2off h ALA 140 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2off h ALA 140 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2off h ALA 140 CO -0.04 0.41 -0.17 0.00 0.00 0.00 0.00 179.25 179.45 2off h ALA 141 N 1.47 0.42 -0.89 0.00 0.00 -1.25 -2.12 119.26 116.88 2off h ALA 141 Ca 0.44 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2off h ALA 141 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2off h ALA 141 CO -0.19 0.33 0.46 0.00 0.00 0.00 0.00 179.25 179.85 2off h PHE 143 N 1.25 0.62 -0.89 0.00 -1.00 -0.74 -1.85 116.94 114.33 2off h PHE 143 Ca 0.31 0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.12 2off h PHE 143 Cb 0.07 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.37 2off h PHE 143 CO 0.01 0.41 0.58 -0.07 -1.61 0.00 0.00 178.31 177.63 2off h LEU 144 N 0.66 0.98 -0.26 1.54 3.38 -1.27 -0.20 115.31 120.14 2off h LEU 144 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2off h LEU 144 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2off h LEU 144 CO -0.04 0.68 0.13 -0.78 0.09 0.00 0.00 178.44 178.53 2off h ASP 145 N 1.14 0.33 -0.18 -0.43 3.58 -1.36 -2.62 116.42 116.88 2off h ASP 145 Ca 0.35 -0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.55 2off h ASP 145 Cb -0.04 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2off h ASP 145 CO -0.10 0.34 -0.37 0.28 -2.88 0.00 0.00 179.24 176.50 2off h SER 146 N 0.29 0.74 -0.52 2.28 0.02 -0.96 -1.94 113.55 113.46 2off h SER 146 Ca 0.09 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 2off h SER 146 Cb 0.09 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2off h SER 146 CO -0.01 1.04 0.19 0.24 -1.14 0.00 0.00 176.83 177.14 2off h MET 147 N 0.58 0.85 -0.06 3.45 2.86 -1.00 -0.08 114.93 121.53 2off h MET 147 Ca 0.05 -0.15 -0.23 0.00 -2.06 0.00 0.00 59.70 57.32 2off h MET 147 Cb 0.91 -0.14 0.02 0.00 0.06 0.00 0.00 31.60 32.44 2off h MET 147 CO 0.08 0.73 -0.84 0.00 1.06 0.00 0.00 176.91 177.93 2off h ALA 148 N 1.38 0.18 0.00 6.32 0.00 -1.40 -0.56 119.26 125.17 2off h ALA 148 Ca 0.19 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2off h ALA 148 Cb 0.23 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2off h ALA 148 CO -0.01 0.60 -0.14 1.15 0.00 0.00 0.00 179.25 180.85 2off h THR 149 N 0.34 1.06 -0.63 0.00 2.02 -1.18 -2.39 112.91 112.13 2off h THR 149 Ca -0.09 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2off h THR 149 Cb 1.50 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2off h THR 149 CO 0.17 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.38 2off n LEU 150 N -4.31 4.09 -2.42 2.58 4.77 -0.06 -4.74 117.00 116.92 2off n LEU 150 Ca -0.03 -2.06 -0.20 0.00 -0.03 0.00 0.00 56.01 53.70 2off n LEU 150 Cb 0.21 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2off n LEU 150 CO 0.35 0.80 -0.18 0.61 -1.33 0.00 0.00 177.39 177.65 2off n GLY 151 N 1.27 -0.45 3.82 -0.72 0.00 -0.90 -0.83 105.19 107.37 2off n GLY 151 Ca 0.23 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2off n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2off s LEU 152 N -5.85 4.46 -1.33 0.99 1.43 -0.25 -4.67 118.68 113.46 2off s LEU 152 Ca 0.08 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.26 2off s LEU 152 Cb -0.04 -3.11 0.05 0.00 0.03 0.00 0.00 46.19 43.13 2off s LEU 152 CO 0.10 0.19 1.88 0.00 0.23 0.00 0.00 176.35 178.76 2off n ALA 153 N 1.34 4.01 -2.47 4.21 0.00 -1.26 -4.63 120.51 121.70 2off n ALA 153 Ca -0.08 -3.81 -0.31 0.00 0.00 0.00 0.00 53.44 49.25 2off n ALA 153 Cb 0.51 -3.59 -0.12 0.00 0.00 0.00 0.00 19.45 16.25 2off n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2off s ALA 154 N 4.28 2.64 -0.07 0.00 0.00 -1.26 -1.47 121.76 125.88 2off s ALA 154 Ca 0.53 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2off s ALA 154 Cb 0.07 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.43 2off s ALA 154 CO 0.04 0.58 -0.14 0.71 0.00 0.00 0.00 175.76 176.95 2off s TYR 155 N -0.95 1.59 -0.05 0.00 2.02 0.08 -4.08 117.35 115.97 2off s TYR 155 Ca 0.15 -0.61 -0.24 0.00 -0.37 0.00 0.00 57.07 56.01 2off s TYR 155 Cb -0.11 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2off s TYR 155 CO 0.06 -0.30 0.73 0.20 -1.57 0.00 0.00 175.55 174.67 2off s GLY 156 N 0.65 2.66 -0.11 0.71 0.00 -1.06 -1.28 107.32 108.89 2off s GLY 156 Ca -0.15 0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.78 2off s GLY 156 CO 0.04 1.20 -0.18 -0.19 0.00 0.00 0.00 173.10 173.97 2off s TYR 157 N 0.71 2.16 0.00 1.90 2.02 -0.61 -0.26 117.35 123.27 2off s TYR 157 Ca 0.39 -0.98 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 2off s TYR 157 Cb -0.18 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2off s TYR 157 CO 0.19 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 2off n GLY 158 N 3.98 3.75 3.31 0.71 0.00 -0.93 -2.09 105.19 113.92 2off n GLY 158 Ca -0.20 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 2off n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2off s ILE 159 N -1.13 2.24 -0.99 -0.61 1.01 -1.26 -1.45 121.20 119.01 2off s ILE 159 Ca 0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.45 2off s ILE 159 Cb 0.00 -1.82 0.11 0.00 0.01 0.00 0.00 42.46 40.75 2off s ILE 159 CO 0.00 0.57 1.27 -0.60 0.00 0.00 0.00 174.94 176.18 2off s ARG 160 N -0.29 3.64 0.24 2.79 3.52 -0.22 -4.73 118.95 123.90 2off s ARG 160 Ca 0.01 -1.63 -0.30 0.00 -0.13 0.00 0.00 55.73 53.68 2off s ARG 160 Cb -0.13 -5.09 -0.09 0.00 -1.56 0.00 0.00 34.95 28.09 2off s ARG 160 CO 0.02 -1.93 1.24 0.71 -0.81 0.00 0.00 175.30 174.54 2off s TYR 161 N 3.38 3.32 0.19 5.12 2.02 -1.26 -4.76 117.35 125.37 2off s TYR 161 Ca 0.38 1.41 -0.04 0.00 -0.37 0.00 0.00 57.07 58.45 2off s TYR 161 Cb -0.03 -3.51 0.11 0.00 -0.40 0.00 0.00 41.96 38.13 2off s TYR 161 CO -0.08 -1.43 1.52 1.49 -1.57 0.00 0.00 175.55 175.47 2off h GLU 162 N 4.60 0.63 -4.79 -0.62 4.81 -1.12 -3.42 114.58 114.67 2off h GLU 162 Ca -0.46 -0.37 -0.62 0.00 -0.13 0.00 0.00 59.36 57.79 2off h GLU 162 Cb 1.22 0.03 -0.35 0.00 0.63 0.00 0.00 28.75 30.27 2off h GLU 162 CO 0.72 0.98 -0.84 -0.06 -0.73 0.00 0.00 179.01 179.07 2off s PHE 163 N -4.11 2.29 0.00 0.92 0.40 -0.14 -4.21 117.98 113.13 2off s PHE 163 Ca -0.08 -1.26 0.00 0.00 -0.60 0.00 0.00 56.93 54.99 2off s PHE 163 Cb 0.11 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2off s PHE 163 CO 0.84 -0.66 0.00 0.41 0.70 0.00 0.00 175.22 176.51 2off n GLY 164 N 4.60 0.58 3.70 4.36 0.00 -1.22 -1.87 105.19 115.34 2off n GLY 164 Ca -0.18 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 2off n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2off n ILE 165 N 0.00 0.86 -1.76 -0.61 0.13 -0.06 -4.54 119.36 113.37 2off n ILE 165 Ca 0.00 -0.21 -0.39 0.00 -1.10 0.00 0.00 62.75 61.05 2off n ILE 165 Cb 0.00 -1.71 0.04 0.00 -0.84 0.00 0.00 39.64 37.13 2off n ILE 165 CO 0.00 0.00 0.00 0.72 2.80 0.00 0.00 176.55 180.07 2off s PHE 166 N 0.11 2.30 0.05 9.51 -0.12 -1.26 -4.56 117.98 124.01 2off s PHE 166 Ca 0.68 1.33 -0.31 0.00 -0.05 0.00 0.00 56.93 58.58 2off s PHE 166 Cb -0.58 -3.86 -0.06 0.00 -0.63 0.00 0.00 43.02 37.89 2off s PHE 166 CO 0.47 -2.99 1.35 -0.80 -0.05 0.00 0.00 175.22 173.21 2off s ASN 167 N -0.80 6.89 -0.18 1.98 0.01 -0.48 -4.89 114.94 117.47 2off s ASN 167 Ca 0.69 2.17 -0.15 0.00 -0.71 0.00 0.00 52.86 54.86 2off s ASN 167 Cb -0.42 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.62 2off s ASN 167 CO 0.51 -0.64 0.35 -1.58 -1.51 0.00 0.00 177.10 174.22 2off s GLN 168 N 1.66 4.22 0.01 -0.60 0.74 -1.26 -1.27 119.66 123.15 2off s GLN 168 Ca 0.63 0.15 0.07 0.00 0.05 0.00 0.00 55.36 56.27 2off s GLN 168 Cb -0.33 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 2off s GLN 168 CO 0.28 0.09 -0.22 0.15 -0.55 0.00 0.00 175.29 175.04 2off s LYS 169 N 0.90 2.09 -0.32 1.67 -0.14 -0.13 -3.86 119.74 119.95 2off s LYS 169 Ca 0.18 -0.95 -0.09 0.00 -1.36 0.00 0.00 55.97 53.75 2off s LYS 169 Cb -0.14 -2.12 -0.00 0.00 -1.68 0.00 0.00 37.83 33.89 2off s LYS 169 CO 0.06 0.55 0.15 0.42 -0.76 0.00 0.00 175.35 175.78 2off s ILE 170 N -0.76 4.53 -0.18 2.17 -1.09 -1.26 0.71 121.20 125.33 2off s ILE 170 Ca 0.12 -0.50 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 2off s ILE 170 Cb -0.10 -3.34 0.04 0.00 -1.58 0.00 0.00 42.46 37.47 2off s ILE 170 CO 0.02 0.03 -0.12 0.00 -1.23 0.00 0.00 174.94 173.64 2off n GLY 172 N 4.71 0.28 2.01 0.00 0.00 -1.26 -1.23 105.19 109.69 2off n GLY 172 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2off n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2off n GLY 173 N -0.91 1.73 3.86 -0.02 0.00 -1.26 -5.04 105.19 103.55 2off n GLY 173 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2off n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2off s TRP 174 N -2.82 3.65 0.18 1.61 0.52 -0.36 -3.86 118.94 117.85 2off s TRP 174 Ca 0.00 0.73 -0.31 0.00 0.02 0.00 0.00 56.10 56.55 2off s TRP 174 Cb 0.00 -2.10 -0.10 0.00 -1.15 0.00 0.00 33.47 30.13 2off s TRP 174 CO 0.00 0.67 1.49 -1.14 0.02 0.00 0.00 176.95 177.99 2off s GLN 175 N -1.22 4.25 0.02 4.98 0.74 -1.26 -0.46 119.66 126.71 2off s GLN 175 Ca 0.22 2.29 0.08 0.00 0.05 0.00 0.00 55.36 58.00 2off s GLN 175 Cb -0.14 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.79 2off s GLN 175 CO 0.11 -0.51 -0.24 -1.64 -0.55 0.00 0.00 175.29 172.45 2off s MET 176 N 0.62 1.77 -0.13 1.67 -1.94 0.22 -4.90 119.30 116.61 2off s MET 176 Ca 0.65 -0.99 -0.05 0.00 -1.71 0.00 0.00 55.69 53.59 2off s MET 176 Cb -0.42 -1.85 -0.04 0.00 2.01 0.00 0.00 34.83 34.53 2off s MET 176 CO 0.35 0.49 0.05 -1.21 -0.01 0.00 0.00 175.02 174.69 2off s GLU 177 N -1.00 3.45 0.08 2.03 8.01 -1.26 -0.95 118.70 129.05 2off s GLU 177 Ca 0.10 -0.33 0.05 0.00 0.01 0.00 0.00 54.97 54.80 2off s GLU 177 Cb -0.09 -3.02 -0.03 0.00 -4.31 0.00 0.00 34.13 26.67 2off s GLU 177 CO 0.01 0.56 -0.13 -1.83 0.01 0.00 0.00 175.26 173.87 2off s GLU 178 N -0.44 0.85 0.24 1.61 -1.05 -0.40 -4.99 118.70 114.53 2off s GLU 178 Ca 0.09 -1.03 -0.31 0.00 -0.15 0.00 0.00 54.97 53.57 2off s GLU 178 Cb -0.12 -0.79 -0.13 0.00 -0.44 0.00 0.00 34.13 32.65 2off s GLU 178 CO 0.02 0.16 1.53 0.00 0.95 0.00 0.00 175.26 177.93 2off n ALA 179 N 1.06 1.84 -3.07 -0.84 0.00 -1.26 -1.38 120.51 116.86 2off n ALA 179 Ca -0.20 0.40 -0.45 0.00 0.00 0.00 0.00 53.44 53.20 2off n ALA 179 Cb 0.55 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 2off n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2off s ASP 180 N 0.55 6.82 -1.33 0.00 3.68 -1.26 -4.67 116.67 120.45 2off s ASP 180 Ca 0.69 -2.55 -0.10 0.00 2.13 0.00 0.00 52.55 52.72 2off s ASP 180 Cb -0.58 -2.33 0.13 0.00 -1.45 0.00 0.00 42.92 38.68 2off s ASP 180 CO 0.46 -0.80 2.01 -0.67 0.13 0.00 0.00 175.17 176.30 2off n ASP 181 N 5.34 5.03 0.25 -0.34 2.03 -1.26 -3.46 116.55 124.14 2off n ASP 181 Ca 0.24 -3.04 0.16 0.00 0.52 0.00 0.00 54.79 52.67 2off n ASP 181 Cb 0.46 -1.51 0.63 0.00 -0.72 0.00 0.00 41.12 39.98 2off n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2off h TRP 182 N 5.72 0.00 -0.21 -0.67 5.08 -1.92 -2.70 115.95 121.25 2off h TRP 182 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.43 2off h TRP 182 Cb 0.61 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.77 2off h TRP 182 CO 1.33 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 179.77 2off n LEU 183 N -2.95 2.60 -0.24 0.11 4.77 -1.26 -4.59 117.00 115.44 2off n LEU 183 Ca 0.01 -1.04 -0.02 0.00 -0.03 0.00 0.00 56.01 54.93 2off n LEU 183 Cb 0.31 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2off n LEU 183 CO 0.26 0.52 0.66 -0.09 -1.33 0.00 0.00 177.39 177.42 2off h ARG 184 N 3.58 -0.08 -0.01 3.23 2.43 -1.87 -1.29 114.38 120.37 2off h ARG 184 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2off h ARG 184 Cb 0.78 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2off h ARG 184 CO 0.00 -0.05 -0.18 0.66 -1.51 0.00 0.00 179.97 178.88 2off n TYR 185 N -5.46 0.00 0.00 2.20 4.01 -1.26 -5.05 117.16 111.60 2off n TYR 185 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2off n TYR 185 Cb 0.37 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 2off n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2off n GLY 186 N 1.30 2.00 3.06 2.72 0.00 -0.49 -4.98 105.19 108.80 2off n GLY 186 Ca 0.14 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 2off n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2off s ASN 187 N -0.17 4.58 0.31 1.61 3.84 -1.26 -4.90 114.94 118.95 2off s ASN 187 Ca 0.00 -1.65 0.26 0.00 0.21 0.00 0.00 52.86 51.68 2off s ASN 187 Cb 0.00 -1.59 0.99 0.00 -0.55 0.00 0.00 41.25 40.10 2off s ASN 187 CO 0.00 -0.26 1.77 1.55 -2.79 0.00 0.00 177.10 177.37 2off h PRO 188 N 7.73 0.00 0.00 0.43 0.13 -2.00 -3.24 132.00 135.05 2off h PRO 188 Ca -0.14 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.83 2off h PRO 188 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2off h PRO 188 CO 0.49 0.00 -0.87 -1.49 -0.23 0.00 0.00 178.00 175.90 2off h TRP 189 N 0.00 0.00 -3.58 1.56 4.06 -1.96 -3.47 115.95 112.56 2off h TRP 189 Ca 0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 2off h TRP 189 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 2off h TRP 189 CO 0.00 0.71 0.04 -1.83 -3.56 0.00 0.00 178.44 173.80 2off s GLU 190 N -2.85 3.80 -0.13 0.49 -1.05 -1.23 -4.30 118.70 113.44 2off s GLU 190 Ca 0.02 0.40 -0.00 0.00 -0.15 0.00 0.00 54.97 55.23 2off s GLU 190 Cb 0.09 -2.48 0.03 0.00 -0.44 0.00 0.00 34.13 31.33 2off s GLU 190 CO 0.78 0.09 -0.07 0.21 0.95 0.00 0.00 175.26 177.23 2off s LYS 191 N -3.48 1.52 0.31 -4.83 2.47 0.66 -4.95 119.74 111.45 2off s LYS 191 Ca 0.50 -0.35 -0.29 0.00 -1.56 0.00 0.00 55.97 54.27 2off s LYS 191 Cb -0.10 -1.74 -0.10 0.00 -1.46 0.00 0.00 37.83 34.42 2off s LYS 191 CO 0.27 -0.32 1.31 0.00 0.16 0.00 0.00 175.35 176.77 2off s ALA 192 N 1.68 3.51 -0.54 3.13 0.00 -1.26 -0.56 121.76 127.71 2off s ALA 192 Ca 0.04 1.24 0.07 0.00 0.00 0.00 0.00 51.96 53.31 2off s ALA 192 Cb -0.13 -3.48 0.27 0.00 0.00 0.00 0.00 23.12 19.78 2off s ALA 192 CO -0.08 -0.62 0.71 0.54 0.00 0.00 0.00 175.76 176.30 2off n ARG 193 N 1.06 1.98 0.09 0.00 5.12 -0.21 -4.92 116.66 119.78 2off n ARG 193 Ca 0.01 -4.18 0.09 0.00 -1.93 0.00 0.00 57.85 51.83 2off n ARG 193 Cb 0.42 -1.91 0.40 0.00 -1.16 0.00 0.00 32.46 30.21 2off n ARG 193 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2off n PRO 194 N 0.83 0.11 0.12 5.56 -0.04 -1.26 -1.04 135.00 139.28 2off n PRO 194 Ca 0.27 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 2off n PRO 194 Cb 0.46 -1.76 0.47 0.00 -0.04 0.00 0.00 33.50 32.63 2off n PRO 194 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2off n GLU 195 N -1.97 0.20 -0.81 0.54 0.00 -1.26 -2.66 120.64 114.68 2off n GLU 195 Ca 0.01 0.38 -0.05 0.00 0.00 0.00 0.00 57.16 57.50 2off n GLU 195 Cb 0.13 -1.85 0.22 0.00 0.00 0.00 0.00 31.44 29.94 2off n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2off n PHE 196 N -2.22 1.47 -2.15 -1.84 3.72 -0.21 -5.01 117.46 111.22 2off n PHE 196 Ca 0.03 -1.45 -0.42 0.00 -0.05 0.00 0.00 57.45 55.56 2off n PHE 196 Cb 0.27 -0.54 -0.03 0.00 -0.94 0.00 0.00 39.48 38.24 2off n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2off s THR 197 N -3.15 3.21 0.02 4.37 2.01 -1.09 -4.58 115.64 116.43 2off s THR 197 Ca 0.47 0.89 0.05 0.00 0.31 0.00 0.00 61.69 63.40 2off s THR 197 Cb 0.41 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 2off s THR 197 CO 0.05 0.08 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.15 2off s LEU 198 N 0.88 2.10 0.24 4.42 1.02 -0.45 -4.94 118.68 121.95 2off s LEU 198 Ca 0.64 -0.37 -0.26 0.00 0.02 0.00 0.00 54.13 54.16 2off s LEU 198 Cb -0.38 -0.69 -0.09 0.00 0.02 0.00 0.00 46.19 45.06 2off s LEU 198 CO 0.32 0.11 0.87 -2.16 0.02 0.00 0.00 176.35 175.50 2off s PRO 199 N -0.76 4.61 -0.04 1.29 0.04 -1.26 -0.03 135.00 138.85 2off s PRO 199 Ca 0.04 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.39 2off s PRO 199 Cb -0.07 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 2off s PRO 199 CO 0.00 0.44 -0.21 0.08 0.04 0.00 0.00 177.00 177.35 2off s VAL 200 N -1.36 1.73 -0.01 -0.36 1.01 0.87 -4.88 120.40 117.41 2off s VAL 200 Ca 0.43 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2off s VAL 200 Cb -0.22 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2off s VAL 200 CO 0.26 0.49 0.03 -1.00 0.00 0.00 0.00 175.10 174.89 2off s HIS 201 N -0.20 3.17 0.07 5.22 3.76 -1.26 -0.79 115.29 125.25 2off s HIS 201 Ca -0.00 0.14 0.01 0.00 -0.15 0.00 0.00 55.06 55.06 2off s HIS 201 Cb -0.11 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 2off s HIS 201 CO 0.02 0.50 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.30 2off s PHE 202 N -1.11 0.70 0.00 1.40 0.40 -0.27 -4.98 117.98 114.11 2off s PHE 202 Ca 0.20 -0.92 0.00 0.00 -0.60 0.00 0.00 56.93 55.61 2off s PHE 202 Cb -0.12 -0.44 0.00 0.00 0.51 0.00 0.00 43.02 42.97 2off s PHE 202 CO 0.11 -0.23 0.00 0.66 0.70 0.00 0.00 175.22 176.46 2off n TYR 203 N 0.21 0.00 -4.30 0.36 4.01 0.11 -1.00 117.16 116.56 2off n TYR 203 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2off n TYR 203 Cb 0.60 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 2off n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2off n GLY 204 N 0.00 -0.43 3.69 2.72 0.00 -1.23 -4.57 105.19 105.36 2off n GLY 204 Ca 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 2off n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2off s ARG 205 N 0.00 1.60 -0.22 1.61 1.70 -0.35 -4.88 118.95 118.41 2off s ARG 205 Ca 0.00 -0.92 -0.07 0.00 -0.47 0.00 0.00 55.73 54.27 2off s ARG 205 Cb 0.00 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2off s ARG 205 CO 0.00 -0.71 0.07 0.08 -1.08 0.00 0.00 175.30 173.66 2off s VAL 206 N -3.90 4.56 -0.12 4.99 1.01 -1.26 -0.82 120.40 124.86 2off s VAL 206 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 2off s VAL 206 Cb -0.04 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2off s VAL 206 CO 0.02 0.39 0.05 -1.61 0.00 0.00 0.00 175.10 173.95 2off s GLU 207 N 1.04 3.39 -0.24 2.72 2.02 0.88 -4.94 118.70 123.57 2off s GLU 207 Ca 0.04 -0.33 -0.07 0.00 0.02 0.00 0.00 54.97 54.64 2off s GLU 207 Cb -0.14 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 2off s GLU 207 CO 0.03 0.58 0.05 -1.01 0.02 0.00 0.00 175.26 174.94 2off s HIS 208 N -0.52 3.08 0.00 1.61 3.76 -1.26 0.49 115.29 122.44 2off s HIS 208 Ca 0.10 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2off s HIS 208 Cb -0.12 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.37 2off s HIS 208 CO 0.02 -0.33 0.00 0.25 -0.85 0.00 0.00 174.74 173.83 2off n THR 209 N 4.75 0.00 -0.20 1.30 -2.24 -0.80 -5.00 114.28 112.09 2off n THR 209 Ca -0.16 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2off n THR 209 Cb 0.51 -0.34 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 2off n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2off h SER 210 N 0.00 0.96 -2.55 3.42 0.02 -2.02 -3.28 113.55 110.10 2off h SER 210 Ca 0.00 -0.30 -0.77 0.00 -0.84 0.00 0.00 61.79 59.89 2off h SER 210 Cb 0.00 -0.26 -0.30 0.00 0.14 0.00 0.00 62.40 61.98 2off h SER 210 CO 0.00 1.02 0.61 1.67 -1.14 0.00 0.00 176.83 178.99 2off n GLN 211 N -4.26 4.52 -0.31 3.45 -0.06 -1.26 -5.04 117.38 114.42 2off n GLN 211 Ca 0.02 -4.64 0.04 0.00 -2.00 0.00 0.00 57.00 50.43 2off n GLN 211 Cb 0.32 -2.45 -0.01 0.00 -4.06 0.00 0.00 30.24 24.04 2off n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2off n GLY 212 N 0.64 -1.83 3.82 1.69 0.00 -1.24 -4.92 105.19 103.36 2off n GLY 212 Ca 0.34 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 2off n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2off s ALA 213 N -1.49 3.03 -0.03 4.61 0.00 -1.26 -1.90 121.76 124.71 2off s ALA 213 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.34 2off s ALA 213 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.98 2off s ALA 213 CO 0.00 -0.00 -0.10 0.15 0.00 0.00 0.00 175.76 175.81 2off s LYS 214 N -3.43 1.11 -0.42 0.00 1.02 0.18 -4.89 119.74 113.30 2off s LYS 214 Ca 0.61 -0.32 -0.18 0.00 0.02 0.00 0.00 55.97 56.11 2off s LYS 214 Cb -0.10 -1.01 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 2off s LYS 214 CO 0.19 0.09 0.45 -0.46 -0.92 0.00 0.00 175.35 174.70 2off s TRP 215 N 0.33 3.16 0.42 3.18 -0.00 -1.26 -0.08 118.94 124.68 2off s TRP 215 Ca -0.06 -0.36 0.05 0.00 -0.00 0.00 0.00 56.10 55.73 2off s TRP 215 Cb -0.10 -2.94 -0.06 0.00 -0.00 0.00 0.00 33.47 30.37 2off s TRP 215 CO 0.01 -0.72 0.03 0.14 -0.00 0.00 0.00 176.95 176.41 2off s VAL 216 N 2.19 1.54 -1.44 5.86 -7.23 0.00 -4.80 120.40 116.53 2off s VAL 216 Ca 0.13 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.22 2off s VAL 216 Cb -0.17 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 34.10 2off s VAL 216 CO 0.14 0.00 0.66 0.47 -0.31 0.00 0.00 175.10 176.06 2off n ASP 217 N -1.01 -5.08 -4.88 4.85 8.00 -1.26 -1.21 116.55 115.96 2off n ASP 217 Ca -0.08 -0.41 -0.30 0.00 0.71 0.00 0.00 54.79 54.70 2off n ASP 217 Cb 0.67 -4.12 -0.03 0.00 -0.02 0.00 0.00 41.12 37.62 2off n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2off s THR 218 N -3.12 4.80 -0.08 -3.53 -4.23 -1.26 -3.58 115.64 104.64 2off s THR 218 Ca 0.41 0.60 -0.24 0.00 -1.18 0.00 0.00 61.69 61.29 2off s THR 218 Cb -0.20 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.88 2off s THR 218 CO 0.51 -0.48 0.73 -1.10 -0.54 0.00 0.00 174.62 173.73 2off s GLN 219 N -3.77 4.42 -0.18 3.99 -0.21 -0.17 -4.91 119.66 118.84 2off s GLN 219 Ca 0.51 0.92 -0.11 0.00 0.02 0.00 0.00 55.36 56.70 2off s GLN 219 Cb -0.10 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.39 2off s GLN 219 CO 0.30 0.00 0.17 0.08 -2.12 0.00 0.00 175.29 173.73 2off s VAL 220 N 1.00 5.39 -0.05 1.09 1.01 -1.26 -1.11 120.40 126.46 2off s VAL 220 Ca 0.38 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.71 2off s VAL 220 Cb -0.18 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2off s VAL 220 CO 0.18 0.44 -0.23 -0.69 0.00 0.00 0.00 175.10 174.80 2off s VAL 221 N 0.25 1.92 0.19 2.92 1.01 0.03 -4.57 120.40 122.14 2off s VAL 221 Ca 0.11 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 2off s VAL 221 Cb -0.12 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 2off s VAL 221 CO 0.00 0.54 0.74 -0.76 0.00 0.00 0.00 175.10 175.62 2off s LEU 222 N -0.19 4.45 -0.25 3.92 1.43 0.62 -0.09 118.68 128.57 2off s LEU 222 Ca -0.02 1.50 -0.04 0.00 -1.03 0.00 0.00 54.13 54.55 2off s LEU 222 Cb -0.13 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2off s LEU 222 CO 0.03 0.11 -0.01 0.00 0.23 0.00 0.00 176.35 176.71 2off s ALA 223 N -1.36 2.87 -0.21 4.21 0.00 0.96 -0.43 121.76 127.79 2off s ALA 223 Ca 0.40 -1.31 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2off s ALA 223 Cb -0.19 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 2off s ALA 223 CO 0.23 -0.66 0.02 1.41 0.00 0.00 0.00 175.76 176.76 2off s MET 224 N 1.45 3.66 0.25 0.00 1.75 0.56 -1.34 119.30 125.64 2off s MET 224 Ca 0.04 -0.49 -0.20 0.00 -1.25 0.00 0.00 55.69 53.78 2off s MET 224 Cb -0.16 -3.15 -0.09 0.00 2.84 0.00 0.00 34.83 34.28 2off s MET 224 CO -0.02 -0.01 0.77 -1.25 -0.65 0.00 0.00 175.02 173.86 2off s PRO 225 N 1.08 4.29 -0.13 4.11 0.04 -1.26 -0.31 135.00 142.82 2off s PRO 225 Ca 0.03 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.03 2off s PRO 225 Cb -0.14 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 31.59 2off s PRO 225 CO 0.02 0.35 -0.19 0.71 0.04 0.00 0.00 177.00 177.93 2off s TYR 226 N -1.59 2.34 -0.17 0.56 1.51 0.46 -1.04 117.35 119.42 2off s TYR 226 Ca 0.45 -1.15 -0.10 0.00 -1.01 0.00 0.00 57.07 55.26 2off s TYR 226 Cb -0.16 -1.63 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 2off s TYR 226 CO 0.21 -0.55 0.15 -0.51 -1.11 0.00 0.00 175.55 173.74 2off s ASP 227 N 0.91 6.29 -0.07 2.29 -0.00 0.27 -1.09 116.67 125.27 2off s ASP 227 Ca -0.07 0.33 0.05 0.00 -0.00 0.00 0.00 52.55 52.86 2off s ASP 227 Cb -0.15 -2.10 -0.01 0.00 -0.00 0.00 0.00 42.92 40.66 2off s ASP 227 CO -0.02 0.23 -0.21 -0.89 -0.00 0.00 0.00 175.17 174.27 2off s THR 228 N 0.01 2.37 0.31 -1.27 2.01 -0.13 -0.25 115.64 118.69 2off s THR 228 Ca 0.11 -0.95 -0.28 0.00 0.31 0.00 0.00 61.69 60.88 2off s THR 228 Cb -0.12 -1.89 -0.09 0.00 0.01 0.00 0.00 72.50 70.41 2off s THR 228 CO 0.00 0.57 1.08 -2.16 -0.69 0.00 0.00 174.62 173.42 2off s PRO 229 N -0.17 4.54 -0.34 4.92 0.04 -1.26 -1.04 135.00 141.68 2off s PRO 229 Ca -0.02 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.78 2off s PRO 229 Cb -0.14 -3.05 0.10 0.00 0.04 0.00 0.00 34.50 31.46 2off s PRO 229 CO 0.04 0.14 0.06 0.08 0.04 0.00 0.00 177.00 177.35 2off s VAL 230 N -1.27 2.25 -0.04 -0.36 1.01 0.12 -4.88 120.40 117.23 2off s VAL 230 Ca 0.47 -2.35 -0.28 0.00 0.00 0.00 0.00 61.98 59.82 2off s VAL 230 Cb -0.30 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2off s VAL 230 CO 0.38 -0.61 0.93 -2.16 0.00 0.00 0.00 175.10 173.64 2off s PRO 231 N 0.89 4.50 0.94 2.72 0.04 -1.26 0.01 135.00 142.84 2off s PRO 231 Ca 0.11 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 2off s PRO 231 Cb -0.19 -3.48 0.15 0.00 0.04 0.00 0.00 34.50 31.03 2off s PRO 231 CO -0.08 -0.09 1.09 0.20 0.04 0.00 0.00 177.00 178.17 2off s GLY 232 N 0.99 1.59 -0.66 0.56 0.00 0.53 -4.78 107.32 105.56 2off s GLY 232 Ca 0.48 -0.21 -0.27 0.00 0.00 0.00 0.00 44.72 44.72 2off s GLY 232 CO 0.24 0.33 1.43 -0.47 0.00 0.00 0.00 173.10 174.64 2off s TYR 233 N -2.96 2.17 -1.42 1.90 6.14 -1.26 -4.30 117.35 117.61 2off s TYR 233 Ca 0.64 0.29 -0.10 0.00 0.64 0.00 0.00 57.07 58.54 2off s TYR 233 Cb -0.18 -4.45 0.07 0.00 0.42 0.00 0.00 41.96 37.82 2off s TYR 233 CO 0.57 -2.08 0.65 0.54 0.64 0.00 0.00 175.55 175.88 2off n ARG 234 N 9.10 -4.16 0.00 4.97 1.74 0.07 -4.81 116.66 123.57 2off n ARG 234 Ca 0.09 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 2off n ARG 234 Cb 0.50 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 2off n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2off n ASN 235 N -2.49 1.41 -1.27 0.55 2.04 -1.26 -4.97 115.26 109.26 2off n ASN 235 Ca -0.01 -1.47 -0.16 0.00 -0.44 0.00 0.00 54.58 52.50 2off n ASN 235 Cb 0.55 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.73 2off n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2off n ASN 236 N -0.24 -5.29 -4.75 0.53 3.02 -1.26 -1.28 115.26 105.99 2off n ASN 236 Ca 0.00 0.40 -0.38 0.00 -0.03 0.00 0.00 54.58 54.57 2off n ASN 236 Cb 0.14 -4.37 -0.06 0.00 -0.61 0.00 0.00 39.78 34.88 2off n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2off s VAL 237 N -2.34 5.12 -0.21 2.41 1.01 -1.26 -4.77 120.40 120.36 2off s VAL 237 Ca 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 2off s VAL 237 Cb 0.00 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.62 2off s VAL 237 CO 0.00 0.38 0.01 -0.69 0.00 0.00 0.00 175.10 174.80 2off s VAL 238 N 0.22 0.80 0.78 2.92 1.01 -1.26 -0.34 120.40 124.52 2off s VAL 238 Ca 0.26 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2off s VAL 238 Cb -0.16 -1.24 0.15 0.00 0.00 0.00 0.00 36.38 35.13 2off s VAL 238 CO 0.12 -0.19 1.07 0.20 0.00 0.00 0.00 175.10 176.30 2off s ASN 239 N 1.73 4.03 -0.09 3.32 0.01 0.10 -4.68 114.94 119.37 2off s ASN 239 Ca -0.02 -0.36 0.04 0.00 -0.71 0.00 0.00 52.86 51.81 2off s ASN 239 Cb -0.18 0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.59 2off s ASN 239 CO -0.08 -2.09 -0.23 -0.89 -1.51 0.00 0.00 177.10 172.30 2off s THR 240 N -3.29 1.99 -0.27 1.60 2.01 -1.26 0.11 115.64 116.53 2off s THR 240 Ca 0.69 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 2off s THR 240 Cb -0.04 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2off s THR 240 CO 0.46 0.55 0.08 -0.32 -0.69 0.00 0.00 174.62 174.70 2off s MET 241 N 0.25 3.41 -0.27 4.92 1.75 -0.20 -2.57 119.30 126.59 2off s MET 241 Ca -0.15 -0.64 -0.08 0.00 -1.25 0.00 0.00 55.69 53.57 2off s MET 241 Cb -0.17 -3.35 -0.02 0.00 2.84 0.00 0.00 34.83 34.13 2off s MET 241 CO 0.07 -0.30 0.08 0.50 -0.65 0.00 0.00 175.02 174.73 2off s ARG 242 N 1.57 3.48 -0.12 4.11 3.52 0.65 -0.95 118.95 131.20 2off s ARG 242 Ca 0.05 -0.60 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 2off s ARG 242 Cb -0.16 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2off s ARG 242 CO 0.03 -0.28 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.56 2off s LEU 243 N 1.59 2.50 0.02 -0.88 1.43 -0.25 -2.20 118.68 120.89 2off s LEU 243 Ca 0.05 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 2off s LEU 243 Cb -0.16 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 2off s LEU 243 CO 0.04 0.17 0.45 0.26 0.23 0.00 0.00 176.35 177.50 2off s TRP 244 N 0.32 3.75 -0.06 0.29 0.52 -0.53 -0.40 118.94 122.82 2off s TRP 244 Ca -0.13 1.07 0.05 0.00 0.02 0.00 0.00 56.10 57.11 2off s TRP 244 Cb -0.16 -2.35 -0.02 0.00 -1.15 0.00 0.00 33.47 29.79 2off s TRP 244 CO 0.07 0.62 -0.20 0.45 0.02 0.00 0.00 176.95 177.90 2off s SER 245 N -1.05 3.48 -0.03 2.95 0.15 0.58 -1.05 113.70 118.72 2off s SER 245 Ca 0.25 -0.39 -0.28 0.00 0.70 0.00 0.00 55.95 56.24 2off s SER 245 Cb -0.17 -0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 63.25 2off s SER 245 CO 0.15 0.28 0.89 0.00 1.20 0.00 0.00 173.24 175.75 2off s ALA 246 N -0.34 3.24 -0.02 5.45 0.00 -1.26 -0.32 121.76 128.50 2off s ALA 246 Ca 0.02 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.40 2off s ALA 246 Cb -0.12 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 2off s ALA 246 CO 0.02 -0.22 -0.10 0.15 0.00 0.00 0.00 175.76 175.61 2off s LYS 247 N 1.03 0.97 0.26 0.00 -0.14 0.43 -4.67 119.74 117.62 2off s LYS 247 Ca 0.47 -0.35 -0.29 0.00 -1.36 0.00 0.00 55.97 54.44 2off s LYS 247 Cb -0.20 -0.91 -0.09 0.00 -1.68 0.00 0.00 37.83 34.95 2off s LYS 247 CO 0.24 0.16 0.96 0.00 -0.76 0.00 0.00 175.35 175.95 2off s ALA 248 N 0.02 3.31 0.83 5.17 0.00 -1.26 -0.28 121.76 129.56 2off s ALA 248 Ca -0.00 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 2off s ALA 248 Cb -0.07 -3.22 0.09 0.00 0.00 0.00 0.00 23.12 19.93 2off s ALA 248 CO 0.00 0.17 1.14 -1.25 0.00 0.00 0.00 175.76 175.82 2off s PRO 249 N -1.40 1.65 0.43 0.00 0.04 -1.26 -4.88 135.00 129.59 2off s PRO 249 Ca 0.43 1.49 0.29 0.00 0.04 0.00 0.00 61.00 63.26 2off s PRO 249 Cb -0.25 -1.80 1.16 0.00 0.04 0.00 0.00 34.50 33.64 2off s PRO 249 CO 0.31 -2.15 1.86 -0.91 0.04 0.00 0.00 177.00 176.16 2off h ASN 250 N -1.26 0.00 -0.66 6.66 2.35 -2.00 -2.21 115.58 118.46 2off h ASN 250 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2off h ASN 250 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2off h ASN 250 CO 0.46 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.34 2off n ASP 251 N -2.78 4.27 -4.68 5.81 5.75 -1.26 -4.92 116.55 118.75 2off n ASP 251 Ca 0.02 -2.26 -0.46 0.00 -0.01 0.00 0.00 54.79 52.07 2off n ASP 251 Cb 0.30 -0.53 -0.04 0.00 -1.03 0.00 0.00 41.12 39.82 2off n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2off n PHE 252 N 1.27 2.39 -1.14 2.11 7.35 -0.83 -0.42 117.46 128.19 2off n PHE 252 Ca 0.24 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.87 2off n PHE 252 Cb 0.76 -2.66 -0.03 0.00 0.35 0.00 0.00 39.48 37.90 2off n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2off n ASN 253 N 5.68 -5.34 -4.08 -2.13 3.02 -1.26 -4.76 115.26 106.39 2off n ASN 253 Ca 0.20 0.17 -0.32 0.00 -0.03 0.00 0.00 54.58 54.59 2off n ASN 253 Cb 0.32 -3.68 -0.15 0.00 -0.61 0.00 0.00 39.78 35.65 2off n ASN 253 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2off s LEU 254 N -1.59 3.04 0.00 3.41 1.43 0.44 -4.85 118.68 120.57 2off s LEU 254 Ca 0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 2off s LEU 254 Cb 0.00 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.70 2off s LEU 254 CO 0.00 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.05 2off n GLY 261 N 4.49 -2.61 0.10 -3.19 0.00 -1.26 -4.98 105.19 97.75 2off n GLY 261 Ca -0.16 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 2off n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2off h TYR 262 N -0.32 -0.09 -0.20 1.61 3.20 -2.00 -2.15 116.97 117.03 2off h TYR 262 Ca 0.00 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2off h TYR 262 Cb 0.00 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2off h TYR 262 CO 0.00 -0.07 0.01 0.82 -1.64 0.00 0.00 178.16 177.27 2off h ILE 263 N 0.01 0.87 -0.88 1.81 1.08 -2.02 -2.16 117.51 116.22 2off h ILE 263 Ca 0.10 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 2off h ILE 263 Cb 0.14 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 2off h ILE 263 CO -0.20 0.01 0.48 -0.61 -0.69 0.00 0.00 178.15 177.15 2off h GLN 264 N 0.08 1.24 -0.95 2.37 5.75 -1.95 -1.26 115.11 120.38 2off h GLN 264 Ca 0.09 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2off h GLN 264 Cb 0.11 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 2off h GLN 264 CO -0.15 0.91 0.62 0.00 -2.65 0.00 0.00 178.83 177.55 2off h ALA 265 N 1.26 1.25 -0.36 3.38 0.00 -0.93 0.89 119.26 124.75 2off h ALA 265 Ca 0.31 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2off h ALA 265 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2off h ALA 265 CO -0.05 0.50 -0.12 0.28 0.00 0.00 0.00 179.25 179.86 2off h VAL 266 N 1.20 1.28 0.00 0.00 2.07 -0.99 -3.09 116.25 116.72 2off h VAL 266 Ca 0.38 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 2off h VAL 266 Cb -0.01 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2off h VAL 266 CO -0.12 0.40 -0.30 -0.07 0.02 0.00 0.00 177.57 177.50 2off h LEU 267 N 0.52 0.00 0.00 2.57 3.38 -0.70 -2.69 115.31 118.38 2off h LEU 267 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2off h LEU 267 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2off h LEU 267 CO 0.04 0.30 0.00 0.47 0.09 0.00 0.00 178.44 179.34 2off n ASP 268 N -3.85 0.00 -0.02 -0.43 8.00 0.26 -3.08 116.55 117.42 2off n ASP 268 Ca -0.01 -0.46 0.13 0.00 0.71 0.00 0.00 54.79 55.16 2off n ASP 268 Cb 0.38 -0.17 0.56 0.00 -0.02 0.00 0.00 41.12 41.87 2off n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2off h ARG 269 N 0.00 0.26 -0.85 -1.24 3.08 -1.49 -1.72 114.38 112.42 2off h ARG 269 Ca 0.00 -0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.26 2off h ARG 269 Cb 0.16 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 2off h ARG 269 CO 0.00 0.17 0.60 -0.91 -1.07 0.00 0.00 179.97 178.76 2off h ASN 270 N 0.27 0.15 -0.56 7.04 -0.26 -1.78 -1.73 115.58 118.71 2off h ASN 270 Ca 0.24 0.02 0.04 0.00 -0.56 0.00 0.00 56.30 56.04 2off h ASN 270 Cb 0.58 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.79 2off h ASN 270 CO -0.05 0.06 0.30 -0.07 -1.06 0.00 0.00 177.43 176.61 2off h LEU 271 N 0.14 0.45 -0.22 1.61 4.07 -1.58 0.84 115.31 120.64 2off h LEU 271 Ca 0.42 0.02 -0.22 0.00 0.08 0.00 0.00 57.88 58.19 2off h LEU 271 Cb 1.44 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 43.12 2off h LEU 271 CO -0.07 0.31 -0.84 0.00 -1.08 0.00 0.00 178.44 176.76 2off h ALA 272 N 1.29 0.39 0.00 1.53 0.00 -1.50 -3.30 119.26 117.66 2off h ALA 272 Ca 0.24 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2off h ALA 272 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2off h ALA 272 CO -0.15 0.74 -0.04 0.39 0.00 0.00 0.00 179.25 180.19 2off n GLU 273 N -3.85 0.14 0.28 0.00 1.02 -0.95 -3.20 120.64 114.07 2off n GLU 273 Ca -0.07 0.11 0.19 0.00 -0.02 0.00 0.00 57.16 57.36 2off n GLU 273 Cb 0.77 -1.65 0.97 0.00 -0.02 0.00 0.00 31.44 31.51 2off n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2off h ASN 274 N 0.00 0.00 -0.52 1.62 2.35 -0.92 -3.16 115.58 114.95 2off h ASN 274 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2off h ASN 274 Cb 0.62 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.93 2off h ASN 274 CO 0.00 0.00 0.19 0.40 -1.65 0.00 0.00 177.43 176.37 2off h ILE 275 N 0.00 0.83 -0.48 2.81 2.04 -1.78 -2.37 117.51 118.56 2off h ILE 275 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2off h ILE 275 Cb 0.08 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2off h ILE 275 CO 0.00 0.07 0.00 -1.54 0.00 0.00 0.00 178.15 176.68 2off n SER 276 N -4.99 4.85 -0.00 1.72 3.41 -1.19 -4.63 113.62 112.78 2off n SER 276 Ca 0.06 -2.73 -0.17 0.00 -0.26 0.00 0.00 58.87 55.76 2off n SER 276 Cb 0.21 -0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 63.41 2off n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2off h ARG 277 N 3.33 0.41 -2.98 4.33 9.65 -1.56 -2.45 114.38 125.10 2off h ARG 277 Ca 0.00 -0.42 -0.16 0.00 -1.10 0.00 0.00 59.98 58.30 2off h ARG 277 Cb 1.68 0.12 -0.26 0.00 -1.39 0.00 0.00 29.97 30.12 2off h ARG 277 CO 0.39 1.09 -0.38 0.54 2.80 0.00 0.00 179.97 184.40 2off s VAL 278 N -3.25 -0.01 0.06 0.20 0.11 -1.26 -0.96 120.40 115.28 2off s VAL 278 Ca -0.13 0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 58.65 2off s VAL 278 Cb 0.04 -0.43 -0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2off s VAL 278 CO 0.82 0.01 1.25 -0.22 -3.33 0.00 0.00 175.10 173.64 2off s LEU 279 N 0.48 4.36 -0.03 2.54 2.96 -0.78 -5.00 118.68 123.21 2off s LEU 279 Ca -0.03 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.65 2off s LEU 279 Cb -0.04 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 2off s LEU 279 CO -0.03 -0.54 1.73 -0.31 -1.32 0.00 0.00 176.35 175.89 2off s TYR 280 N 1.27 1.81 -0.15 5.38 1.51 -1.26 -4.82 117.35 121.09 2off s TYR 280 Ca 0.60 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.70 2off s TYR 280 Cb -0.31 -4.00 0.17 0.00 -0.11 0.00 0.00 41.96 37.72 2off s TYR 280 CO 0.29 -4.27 1.48 -0.35 -1.11 0.00 0.00 175.55 171.58 2off n PRO 281 N 7.22 1.39 -3.63 -1.71 -0.04 -1.26 -4.87 135.00 132.11 2off n PRO 281 Ca 0.18 -0.89 -0.36 0.00 -0.04 0.00 0.00 63.50 62.39 2off n PRO 281 Cb 0.42 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 2off n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2off s ASN 282 N 0.50 6.23 -0.22 3.54 0.01 -1.26 -4.39 114.94 119.34 2off s ASN 282 Ca 0.17 0.25 -0.07 0.00 -0.71 0.00 0.00 52.86 52.50 2off s ASN 282 Cb 0.14 -2.13 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 2off s ASN 282 CO 0.02 0.08 0.05 -0.62 -1.51 0.00 0.00 177.10 175.12 2off s ASP 283 N 0.78 5.17 -1.39 -1.22 2.15 -1.26 -4.63 116.67 116.28 2off s ASP 283 Ca 0.10 -0.14 -0.01 0.00 0.43 0.00 0.00 52.55 52.93 2off s ASP 283 Cb -0.13 -1.91 0.01 0.00 -0.30 0.00 0.00 42.92 40.59 2off s ASP 283 CO 0.03 0.04 0.53 0.59 -0.17 0.00 0.00 175.17 176.19 2off n ASN 284 N 4.44 -0.78 -3.65 -0.34 3.02 -1.26 -4.98 115.26 111.71 2off n ASN 284 Ca -0.16 -0.94 -0.07 0.00 -0.03 0.00 0.00 54.58 53.38 2off n ASN 284 Cb 0.52 -3.39 -0.08 0.00 -0.61 0.00 0.00 39.78 36.22 2off n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2off s PHE 285 N -3.83 -0.99 -0.14 3.10 5.36 -1.26 -4.31 117.98 115.90 2off s PHE 285 Ca 0.04 1.95 -0.19 0.00 -0.96 0.00 0.00 56.93 57.77 2off s PHE 285 Cb -0.02 0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 43.19 2off s PHE 285 CO 0.86 -0.51 0.52 0.12 -1.46 0.00 0.00 175.22 174.76 2off s PHE 286 N 1.80 3.47 -0.22 10.12 2.19 0.08 -4.86 117.98 130.56 2off s PHE 286 Ca -0.09 0.89 0.01 0.00 0.33 0.00 0.00 56.93 58.08 2off s PHE 286 Cb -0.07 -2.63 0.05 0.00 -1.31 0.00 0.00 43.02 39.06 2off s PHE 286 CO -0.18 0.06 -0.10 -2.00 1.83 0.00 0.00 175.22 174.83 2off s GLU 287 N 1.02 2.06 -1.44 10.12 2.12 -1.26 -4.95 118.70 126.37 2off s GLU 287 Ca 0.27 -1.01 -0.09 0.00 0.36 0.00 0.00 54.97 54.49 2off s GLU 287 Cb -0.15 -2.59 0.05 0.00 0.26 0.00 0.00 34.13 31.69 2off s GLU 287 CO 0.11 -0.49 2.46 0.41 -0.54 0.00 0.00 175.26 177.20 2off n GLY 288 N 4.61 4.67 3.84 -1.50 0.00 -1.26 -4.93 105.19 110.62 2off n GLY 288 Ca -0.14 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 2off n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2off s LYS 289 N 1.00 3.28 0.27 1.61 -0.14 -1.26 -5.01 119.74 119.49 2off s LYS 289 Ca 0.55 -0.33 -0.02 0.00 -1.36 0.00 0.00 55.97 54.81 2off s LYS 289 Cb 0.16 -3.02 0.42 0.00 -1.68 0.00 0.00 37.83 33.71 2off s LYS 289 CO -0.06 0.70 1.90 1.49 -0.76 0.00 0.00 175.35 178.61 2off h GLU 290 N 4.33 1.14 -0.79 1.68 4.81 -2.00 -1.77 114.58 121.98 2off h GLU 290 Ca -0.51 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 2off h GLU 290 Cb 1.20 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 2off h GLU 290 CO 0.63 0.75 0.46 1.25 -0.73 0.00 0.00 179.01 181.37 2off h LEU 291 N 1.17 0.96 -0.65 1.64 5.85 -1.99 -0.42 115.31 121.87 2off h LEU 291 Ca 0.41 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 2off h LEU 291 Cb 0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2off h LEU 291 CO -0.15 0.75 0.16 -0.09 -0.34 0.00 0.00 178.44 178.76 2off h ARG 292 N 1.10 1.05 -0.79 1.25 9.65 -1.69 -1.71 114.38 123.23 2off h ARG 292 Ca 0.28 -0.25 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 2off h ARG 292 Cb -0.02 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.39 2off h ARG 292 CO -0.05 0.94 0.31 1.25 2.80 0.00 0.00 179.97 185.23 2off h LEU 293 N 0.97 1.09 -1.10 3.80 5.85 -1.02 -1.82 115.31 123.09 2off h LEU 293 Ca 0.20 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2off h LEU 293 Cb 0.37 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2off h LEU 293 CO 0.00 0.97 0.19 0.11 -0.34 0.00 0.00 178.44 179.37 2off h LYS 294 N 1.15 0.83 -0.35 1.25 1.57 -0.78 -1.30 116.57 118.95 2off h LYS 294 Ca 0.26 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2off h LYS 294 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2off h LYS 294 CO -0.02 0.71 0.09 1.96 -0.57 0.00 0.00 179.45 181.61 2off h GLN 295 N 0.81 0.56 -0.56 3.15 4.20 -1.00 -0.51 115.11 121.77 2off h GLN 295 Ca 0.19 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2off h GLN 295 Cb 0.21 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2off h GLN 295 CO -0.01 0.61 0.26 0.93 -0.67 0.00 0.00 178.83 179.94 2off h GLU 296 N 0.41 0.82 -0.37 1.46 5.08 -0.91 -2.42 114.58 118.65 2off h GLU 296 Ca 0.11 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 2off h GLU 296 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2off h GLU 296 CO 0.00 0.68 -0.40 -0.92 -1.00 0.00 0.00 179.01 177.38 2off h TYR 297 N 0.76 1.09 -0.33 4.33 3.20 -1.20 -3.04 116.97 121.78 2off h TYR 297 Ca 0.19 -0.33 0.04 0.00 3.14 0.00 0.00 58.73 61.77 2off h TYR 297 Cb 0.14 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 2off h TYR 297 CO 0.00 1.15 0.12 0.35 -1.64 0.00 0.00 178.16 178.14 2off h PHE 298 N 0.74 0.21 -0.30 -3.82 3.57 -0.87 0.17 116.94 116.65 2off h PHE 298 Ca 0.06 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.45 2off h PHE 298 Cb 0.99 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2off h PHE 298 CO 0.06 0.09 -0.34 -0.24 -2.23 0.00 0.00 178.31 175.65 2off h VAL 299 N 0.26 1.29 -0.13 1.41 3.04 -1.51 -2.65 116.25 117.96 2off h VAL 299 Ca 0.15 -1.48 -0.08 0.00 -1.01 0.00 0.00 66.70 64.28 2off h VAL 299 Cb 0.12 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2off h VAL 299 CO -0.15 0.48 -0.23 0.58 -1.01 0.00 0.00 177.57 177.23 2off h VAL 300 N 0.55 1.37 -0.30 1.51 2.07 -1.34 -2.02 116.25 118.10 2off h VAL 300 Ca 0.06 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 2off h VAL 300 Cb 0.84 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2off h VAL 300 CO 0.07 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.10 2off h ALA 301 N 0.54 0.40 -0.33 1.67 0.00 -0.71 -1.77 119.26 119.06 2off h ALA 301 Ca 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2off h ALA 301 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2off h ALA 301 CO 0.05 0.14 -0.14 0.00 0.00 0.00 0.00 179.25 179.30 2off h ALA 302 N 0.84 0.46 -0.07 0.00 0.00 -1.54 -2.78 119.26 116.17 2off h ALA 302 Ca 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2off h ALA 302 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2off h ALA 302 CO 0.01 0.36 0.04 1.15 0.00 0.00 0.00 179.25 180.82 2off h THR 303 N 0.45 1.05 -0.59 0.00 2.02 -1.37 -1.98 112.91 112.50 2off h THR 303 Ca 0.08 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 2off h THR 303 Cb 0.67 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2off h THR 303 CO 0.05 0.04 0.09 -0.07 0.37 0.00 0.00 175.52 176.00 2off h LEU 304 N 0.06 0.91 -0.78 2.58 4.07 -1.36 0.20 115.31 121.00 2off h LEU 304 Ca 0.03 -0.20 0.03 0.00 0.08 0.00 0.00 57.88 57.81 2off h LEU 304 Cb 0.03 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.49 2off h LEU 304 CO -0.00 0.91 0.50 1.56 -1.08 0.00 0.00 178.44 180.33 2off h GLN 305 N 0.90 0.95 -0.30 1.13 4.20 -1.46 -1.54 115.11 119.00 2off h GLN 305 Ca 0.18 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 2off h GLN 305 Cb 0.40 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2off h GLN 305 CO 0.01 0.63 -0.10 0.22 -0.67 0.00 0.00 178.83 178.92 2off h ASP 306 N 0.98 0.60 -0.57 1.46 -0.00 -0.50 -0.93 116.42 117.47 2off h ASP 306 Ca 0.30 -0.38 0.04 0.00 -0.00 0.00 0.00 57.03 56.99 2off h ASP 306 Cb -0.02 -0.17 -0.04 0.00 -0.00 0.00 0.00 39.33 39.10 2off h ASP 306 CO -0.10 0.85 0.32 0.40 -0.00 0.00 0.00 179.24 180.71 2off h ILE 307 N 0.35 1.00 -0.24 2.25 2.04 -0.55 -1.79 117.51 120.57 2off h ILE 307 Ca 0.07 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 2off h ILE 307 Cb 0.60 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2off h ILE 307 CO 0.04 0.11 -0.22 0.40 0.00 0.00 0.00 178.15 178.47 2off h ILE 308 N 0.61 1.32 -0.31 -0.67 2.04 -1.20 -1.25 117.51 118.05 2off h ILE 308 Ca 0.24 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.79 2off h ILE 308 Cb 0.10 1.67 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 2off h ILE 308 CO -0.14 0.43 -0.21 -0.09 0.00 0.00 0.00 178.15 178.13 2off h ARG 309 N 0.28 -0.18 -0.57 2.37 2.43 -1.04 -0.33 114.38 117.33 2off h ARG 309 Ca 0.04 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2off h ARG 309 Cb 0.77 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 2off h ARG 309 CO 0.06 -0.12 0.20 -0.09 -1.51 0.00 0.00 179.97 178.50 2off h ARG 310 N -0.19 0.85 -0.55 0.20 2.43 -1.26 -1.28 114.38 114.58 2off h ARG 310 Ca 0.16 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2off h ARG 310 Cb 0.43 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2off h ARG 310 CO -0.42 0.72 0.24 0.35 -1.51 0.00 0.00 179.97 179.36 2off h PHE 311 N 0.83 0.81 -0.01 2.20 3.57 -0.60 -3.07 116.94 120.68 2off h PHE 311 Ca 0.19 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 2off h PHE 311 Cb 0.21 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2off h PHE 311 CO 0.01 0.65 -0.60 0.87 -2.23 0.00 0.00 178.31 177.01 2off h LYS 312 N 0.75 0.04 -0.79 1.11 1.57 -0.64 -2.98 116.57 115.62 2off h LYS 312 Ca 0.19 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2off h LYS 312 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2off h LYS 312 CO -0.02 0.63 0.02 0.43 -0.57 0.00 0.00 179.45 179.94 2off n SER 313 N -3.83 3.47 0.46 0.86 7.64 -0.52 -4.98 113.62 116.71 2off n SER 313 Ca -0.01 -2.50 -0.18 0.00 1.01 0.00 0.00 58.87 57.18 2off n SER 313 Cb 0.60 -0.60 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 2off n SER 313 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2off h SER 314 N 2.00 -0.99 0.00 6.43 0.02 -1.43 -3.49 113.55 116.08 2off h SER 314 Ca 0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2off h SER 314 Cb 1.31 0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2off h SER 314 CO 0.27 -0.69 0.00 0.41 -1.14 0.00 0.00 176.83 175.69 2off n THR 324 N -5.26 0.00 -2.91 -2.27 -1.04 -1.26 -5.05 114.28 96.49 2off n THR 324 Ca -0.14 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.43 2off n THR 324 Cb 0.46 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.93 2off n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2off s ASN 325 N 0.00 6.23 0.04 8.00 3.04 -1.26 -4.87 114.94 126.12 2off s ASN 325 Ca 0.00 -1.19 0.25 0.00 0.04 0.00 0.00 52.86 51.96 2off s ASN 325 Cb 0.00 -2.40 0.49 0.00 -1.54 0.00 0.00 41.25 37.80 2off s ASN 325 CO 0.00 -1.34 1.41 0.49 -3.04 0.00 0.00 177.10 174.61 2off n PHE 326 N 7.34 0.18 -0.17 0.43 3.72 -1.26 -3.72 117.46 123.98 2off n PHE 326 Ca -0.02 0.05 0.10 0.00 -0.05 0.00 0.00 57.45 57.54 2off n PHE 326 Cb 0.45 -0.40 0.42 0.00 -0.94 0.00 0.00 39.48 39.02 2off n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2off h ASP 327 N 0.00 0.54 0.27 4.37 5.19 -1.97 -1.66 116.42 123.15 2off h ASP 327 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2off h ASP 327 Cb 0.58 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.00 2off h ASP 327 CO 0.00 0.32 -0.25 0.00 -3.12 0.00 0.00 179.24 176.19 2off n ALA 328 N -2.48 3.05 -0.17 3.45 0.00 -1.24 -4.37 120.51 118.74 2off n ALA 328 Ca 0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 2off n ALA 328 Cb 0.36 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.69 2off n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2off h PHE 329 N 1.07 -0.53 0.00 0.00 3.04 -1.45 0.34 116.94 119.41 2off h PHE 329 Ca 0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.01 2off h PHE 329 Cb 0.49 0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.31 2off h PHE 329 CO 0.00 -0.30 0.00 -2.30 -2.02 0.00 0.00 178.31 173.69 2off n PRO 330 N -5.42 0.08 0.16 6.41 -0.02 -1.26 -1.16 135.00 133.80 2off n PRO 330 Ca 0.05 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 2off n PRO 330 Cb 0.32 -1.67 0.28 0.00 -0.02 0.00 0.00 33.50 32.41 2off n PRO 330 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2off h ASP 331 N 0.00 0.00 -0.00 2.55 3.32 -1.21 -3.34 116.42 117.73 2off h ASP 331 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2off h ASP 331 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2off h ASP 331 CO 0.00 0.00 -0.12 0.29 -1.72 0.00 0.00 179.24 177.69 2off n LYS 332 N -2.66 4.90 -3.81 3.56 4.76 -0.66 -4.53 118.16 119.72 2off n LYS 332 Ca 0.05 -0.12 -0.15 0.00 -2.87 0.00 0.00 58.31 55.22 2off n LYS 332 Cb 0.48 -0.72 -0.16 0.00 -1.84 0.00 0.00 35.03 32.80 2off n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2off s VAL 333 N -1.12 -0.01 -0.06 -0.18 1.01 -0.30 -0.97 120.40 118.76 2off s VAL 333 Ca 0.02 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2off s VAL 333 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.32 2off s VAL 333 CO 0.11 0.08 -0.18 0.00 0.00 0.00 0.00 175.10 175.11 2off s ALA 334 N 0.82 1.65 -0.20 5.51 0.00 -0.51 -4.49 121.76 124.54 2off s ALA 334 Ca -0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2off s ALA 334 Cb -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2off s ALA 334 CO -0.02 0.26 -0.11 0.42 0.00 0.00 0.00 175.76 176.31 2off s ILE 335 N 0.22 2.83 -0.25 0.00 1.01 -0.41 -0.11 121.20 124.50 2off s ILE 335 Ca -0.09 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 2off s ILE 335 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2off s ILE 335 CO 0.04 0.47 0.10 -1.58 0.00 0.00 0.00 174.94 173.97 2off s GLN 336 N 1.40 3.80 -0.37 2.79 2.00 0.41 -1.68 119.66 128.00 2off s GLN 336 Ca 0.05 -0.41 -0.17 0.00 -2.00 0.00 0.00 55.36 52.83 2off s GLN 336 Cb -0.14 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.28 2off s GLN 336 CO -0.07 -0.10 0.46 -0.51 -0.50 0.00 0.00 175.29 174.57 2off s LEU 337 N 1.42 4.52 -0.81 3.68 1.43 -0.03 -0.81 118.68 128.09 2off s LEU 337 Ca 0.06 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 52.62 2off s LEU 337 Cb -0.15 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.64 2off s LEU 337 CO 0.05 -0.49 1.29 0.21 0.23 0.00 0.00 176.35 177.63 2off s ASN 338 N 1.79 6.26 0.63 2.29 2.47 -0.56 -1.84 114.94 125.98 2off s ASN 338 Ca 0.15 -0.81 0.00 0.00 0.42 0.00 0.00 52.86 52.63 2off s ASN 338 Cb -0.16 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2off s ASN 338 CO 0.13 -1.69 0.00 -0.67 -3.72 0.00 0.00 177.10 171.15 2off n ASP 339 N 9.00 -3.32 -0.12 -4.21 2.03 -0.58 -4.17 116.55 115.18 2off n ASP 339 Ca 0.11 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.55 2off n ASP 339 Cb 0.49 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.41 2off n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2off n THR 340 N -0.95 0.00 -0.29 5.18 -2.24 -1.26 -4.32 114.28 110.40 2off n THR 340 Ca 0.00 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 2off n THR 340 Cb 0.00 0.02 0.25 0.00 -2.10 0.00 0.00 70.33 68.50 2off n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2off h HIS 341 N 0.61 0.60 -0.64 4.78 3.86 -1.97 0.13 115.15 122.52 2off h HIS 341 Ca 0.00 0.04 -0.24 0.00 -1.16 0.00 0.00 60.37 59.01 2off h HIS 341 Cb 0.42 -0.14 -0.14 0.00 1.06 0.00 0.00 27.41 28.61 2off h HIS 341 CO 0.00 0.02 0.30 -0.35 0.86 0.00 0.00 177.93 178.76 2off n PRO 342 N -5.01 2.80 0.30 2.45 -0.04 -1.26 -4.64 135.00 129.60 2off n PRO 342 Ca 0.19 -2.36 0.17 0.00 -0.04 0.00 0.00 63.50 61.45 2off n PRO 342 Cb 0.54 -1.98 0.98 0.00 -0.04 0.00 0.00 33.50 32.99 2off n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2off h SER 343 N 1.71 0.00 0.29 3.54 4.64 -1.00 -1.68 113.55 121.05 2off h SER 343 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2off h SER 343 Cb 2.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.21 2off h SER 343 CO 0.66 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.80 2off n LEU 344 N -3.66 0.00 -0.12 5.97 4.77 -1.26 -2.26 117.00 120.43 2off n LEU 344 Ca -0.03 0.43 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 2off n LEU 344 Cb 0.10 -0.43 0.39 0.00 -2.33 0.00 0.00 43.42 41.15 2off n LEU 344 CO 0.26 -0.29 1.20 0.00 -1.33 0.00 0.00 177.39 177.23 2off h ALA 345 N 2.38 1.75 0.80 -1.18 0.00 -1.66 -0.43 119.26 120.92 2off h ALA 345 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2off h ALA 345 Cb 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2off h ALA 345 CO 0.00 0.16 -0.38 0.82 0.00 0.00 0.00 179.25 179.85 2off h ILE 346 N 0.65 0.00 0.00 0.00 2.04 -1.70 -0.12 117.51 118.38 2off h ILE 346 Ca 0.26 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 2off h ILE 346 Cb 0.21 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2off h ILE 346 CO -0.08 0.00 -0.31 1.55 0.00 0.00 0.00 178.15 179.32 2off h PRO 347 N -1.22 0.00 -0.65 2.37 0.13 -1.75 -2.47 132.00 128.40 2off h PRO 347 Ca -0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 2off h PRO 347 Cb 0.82 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 2off h PRO 347 CO 0.18 0.31 0.14 1.49 -0.23 0.00 0.00 178.00 179.89 2off h GLU 348 N 0.00 1.06 -0.68 0.86 4.57 -1.05 0.72 114.58 120.06 2off h GLU 348 Ca -0.00 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 57.84 2off h GLU 348 Cb 0.56 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2off h GLU 348 CO 0.04 0.96 0.16 1.25 -1.18 0.00 0.00 179.01 180.24 2off h LEU 349 N 0.98 1.02 -0.50 1.64 5.85 -0.84 -1.45 115.31 122.02 2off h LEU 349 Ca 0.20 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2off h LEU 349 Cb 0.39 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2off h LEU 349 CO 0.01 0.98 0.22 0.24 -0.34 0.00 0.00 178.44 179.55 2off h MET 350 N 1.03 0.73 -0.27 1.25 2.86 -1.22 -1.48 114.93 117.83 2off h MET 350 Ca 0.21 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2off h MET 350 Cb 0.36 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2off h MET 350 CO 0.00 0.63 0.08 -0.09 1.06 0.00 0.00 176.91 178.59 2off h ARG 351 N 0.66 0.19 -0.20 1.72 2.43 -0.56 0.14 114.38 118.77 2off h ARG 351 Ca 0.17 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2off h ARG 351 Cb 0.15 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2off h ARG 351 CO -0.02 0.12 0.04 0.28 -1.51 0.00 0.00 179.97 178.88 2off h VAL 352 N 0.19 1.22 -0.44 0.20 2.07 -1.22 0.16 116.25 118.44 2off h VAL 352 Ca 0.12 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2off h VAL 352 Cb 0.10 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2off h VAL 352 CO -0.13 0.22 -0.03 -0.07 0.02 0.00 0.00 177.57 177.58 2off h LEU 353 N 0.12 0.78 0.00 2.57 3.38 -1.11 -0.92 115.31 120.14 2off h LEU 353 Ca 0.06 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2off h LEU 353 Cb 0.30 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2off h LEU 353 CO 0.00 0.92 -0.01 0.58 0.09 0.00 0.00 178.44 180.03 2off h VAL 354 N 0.63 0.79 -0.00 1.22 2.07 -0.74 -1.04 116.25 119.18 2off h VAL 354 Ca 0.12 -1.59 -0.22 0.00 0.82 0.00 0.00 66.70 65.82 2off h VAL 354 Cb 0.54 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2off h VAL 354 CO 0.03 0.27 -0.93 0.44 0.02 0.00 0.00 177.57 177.40 2off h ASP 355 N -1.00 0.53 0.00 0.57 3.45 -0.81 -2.97 116.42 116.19 2off h ASP 355 Ca -0.00 -0.42 -0.33 0.00 0.43 0.00 0.00 57.03 56.72 2off h ASP 355 Cb 0.44 -0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 38.99 2off h ASP 355 CO -0.00 1.21 -2.23 0.18 -1.57 0.00 0.00 179.24 176.83 2off n LEU 356 N -3.75 2.73 0.02 1.55 4.77 -0.89 -4.56 117.00 116.85 2off n LEU 356 Ca -0.06 -0.11 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2off n LEU 356 Cb 0.83 -0.66 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2off n LEU 356 CO 0.51 0.83 0.12 -0.62 -1.33 0.00 0.00 177.39 176.90 2off n GLU 357 N -3.09 0.16 -2.17 3.23 -0.58 -0.40 -4.98 120.64 112.81 2off n GLU 357 Ca -0.38 -0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.23 2off n GLU 357 Cb 0.92 -1.55 -0.01 0.00 -0.57 0.00 0.00 31.44 30.23 2off n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2off n ARG 358 N -1.76 -1.06 -2.57 3.49 5.12 -0.75 -4.97 116.66 114.17 2off n ARG 358 Ca 0.03 0.69 -0.35 0.00 -1.93 0.00 0.00 57.85 56.29 2off n ARG 358 Cb 0.39 -4.92 -0.04 0.00 -1.16 0.00 0.00 32.46 26.73 2off n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2off s LEU 359 N -3.80 4.01 0.62 0.55 1.02 -0.47 -4.99 118.68 115.62 2off s LEU 359 Ca 0.00 1.97 -0.15 0.00 0.02 0.00 0.00 54.13 55.96 2off s LEU 359 Cb 0.00 -4.36 -0.02 0.00 0.02 0.00 0.00 46.19 41.83 2off s LEU 359 CO 0.00 -0.60 1.09 1.51 0.02 0.00 0.00 176.35 178.37 2off s ASP 360 N -1.77 5.45 0.17 2.29 -4.77 -1.26 -4.34 116.67 112.44 2off s ASP 360 Ca 0.62 1.91 -0.23 0.00 -3.30 0.00 0.00 52.55 51.56 2off s ASP 360 Cb -0.19 -2.54 0.07 0.00 -1.09 0.00 0.00 42.92 39.17 2off s ASP 360 CO 0.23 -1.40 1.59 -0.25 0.70 0.00 0.00 175.17 176.05 2off h TRP 361 N 0.25 -0.95 -0.81 2.11 2.91 -1.97 -1.92 115.95 115.57 2off h TRP 361 Ca -0.47 0.06 -0.02 0.00 1.13 0.00 0.00 58.89 59.60 2off h TRP 361 Cb 1.23 0.48 -0.04 0.00 -0.51 0.00 0.00 29.16 30.33 2off h TRP 361 CO 0.56 -0.39 0.44 -0.44 -1.03 0.00 0.00 178.44 177.58 2off h ASP 362 N -0.23 1.01 -0.24 2.65 3.45 -1.99 -0.34 116.42 120.72 2off h ASP 362 Ca 0.19 -0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.42 2off h ASP 362 Cb 0.55 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2off h ASP 362 CO -0.59 0.81 -0.39 0.50 -1.57 0.00 0.00 179.24 178.01 2off h LYS 363 N 1.13 0.69 -0.69 3.56 1.63 -1.88 -2.20 116.57 118.80 2off h LYS 363 Ca 0.28 -0.42 0.06 0.00 -0.85 0.00 0.00 60.65 59.73 2off h LYS 363 Cb 0.04 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.65 2off h LYS 363 CO -0.04 1.04 0.38 0.00 -3.45 0.00 0.00 179.45 177.38 2off h ALA 364 N 0.65 0.93 -0.56 5.00 0.00 -0.92 -2.08 119.26 122.28 2off h ALA 364 Ca 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2off h ALA 364 Cb 0.98 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2off h ALA 364 CO 0.09 0.05 -0.01 2.35 0.00 0.00 0.00 179.25 181.73 2off h TRP 365 N 0.70 1.09 -0.45 0.00 2.91 -1.02 -0.52 115.95 118.65 2off h TRP 365 Ca 0.31 -0.19 0.03 0.00 1.13 0.00 0.00 58.89 60.17 2off h TRP 365 Cb 0.21 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.55 2off h TRP 365 CO -0.08 0.98 0.25 1.49 -1.03 0.00 0.00 178.44 180.06 2off h GLU 366 N 0.88 0.49 -0.25 2.65 4.81 -1.14 -1.18 114.58 120.83 2off h GLU 366 Ca 0.16 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2off h GLU 366 Cb 0.56 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2off h GLU 366 CO 0.03 0.32 0.14 0.28 -0.73 0.00 0.00 179.01 179.05 2off h VAL 367 N 0.50 1.12 0.02 0.32 2.07 -1.15 -2.37 116.25 116.77 2off h VAL 367 Ca 0.19 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2off h VAL 367 Cb 0.05 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2off h VAL 367 CO -0.10 0.12 -0.13 0.74 0.02 0.00 0.00 177.57 178.21 2off h THR 368 N 0.30 0.68 -0.21 2.57 2.02 -0.79 -1.18 112.91 116.30 2off h THR 368 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2off h THR 368 Cb 0.06 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2off h THR 368 CO -0.01 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.58 2off h VAL 369 N -0.23 1.09 0.00 3.16 2.07 -1.22 -1.43 116.25 119.69 2off h VAL 369 Ca 0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2off h VAL 369 Cb 0.27 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2off h VAL 369 CO -0.11 0.09 -0.08 0.11 0.02 0.00 0.00 177.57 177.60 2off h LYS 370 N 0.25 0.00 0.17 1.57 1.57 -1.33 -2.21 116.57 116.59 2off h LYS 370 Ca 0.07 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.52 2off h LYS 370 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.35 2off h LYS 370 CO -0.01 0.08 -1.65 1.15 -0.57 0.00 0.00 179.45 178.45 2off h THR 371 N 0.00 1.05 -2.88 -0.16 2.02 -0.56 -3.47 112.91 108.91 2off h THR 371 Ca -0.00 -2.63 -0.63 0.00 0.77 0.00 0.00 66.41 63.91 2off h THR 371 Cb 0.25 2.79 -0.05 0.00 -1.74 0.00 0.00 68.15 69.40 2off h THR 371 CO 0.01 0.84 -0.38 0.00 0.37 0.00 0.00 175.52 176.36 2off s ALA 373 N -1.24 0.18 -0.07 0.00 0.00 -0.68 -1.52 121.76 118.44 2off s ALA 373 Ca 0.25 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2off s ALA 373 Cb -0.13 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2off s ALA 373 CO 0.14 -0.20 -0.12 -0.47 0.00 0.00 0.00 175.76 175.11 2off s TYR 374 N -1.95 1.45 -0.25 0.00 6.14 -0.56 -0.85 117.35 121.32 2off s TYR 374 Ca -0.11 -0.54 -0.06 0.00 0.64 0.00 0.00 57.07 56.99 2off s TYR 374 Cb -0.06 -1.07 -0.01 0.00 0.42 0.00 0.00 41.96 41.23 2off s TYR 374 CO -0.03 -0.29 0.03 0.99 0.64 0.00 0.00 175.55 176.89 2off s THR 375 N 0.73 3.88 -0.02 4.34 2.01 -0.77 -1.62 115.64 124.19 2off s THR 375 Ca -0.13 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 2off s THR 375 Cb -0.16 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 2off s THR 375 CO 0.03 0.32 0.51 0.21 -0.69 0.00 0.00 174.62 175.00 2off s ASN 376 N 1.54 6.87 0.00 3.53 3.84 -0.34 -1.53 114.94 128.86 2off s ASN 376 Ca 0.05 1.04 0.08 0.00 0.21 0.00 0.00 52.86 54.24 2off s ASN 376 Cb -0.15 -2.31 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 2off s ASN 376 CO 0.01 0.16 0.47 1.41 -2.79 0.00 0.00 177.10 176.36 2off n HIS 377 N 2.57 0.00 -3.51 0.43 8.25 -1.26 -4.16 115.22 117.54 2off n HIS 377 Ca -0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.25 2off n HIS 377 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 2off n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2off s THR 378 N -1.34 0.00 -0.81 1.59 -1.32 -1.26 -4.52 115.64 107.98 2off s THR 378 Ca 0.05 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.66 2off s THR 378 Cb 0.06 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.97 2off s THR 378 CO 0.23 0.00 0.60 1.33 -2.21 0.00 0.00 174.62 174.57 2off n VAL 379 N 0.19 0.00 -1.76 5.08 0.24 -1.26 -5.00 118.33 115.81 2off n VAL 379 Ca -0.13 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.48 2off n VAL 379 Cb 0.61 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 34.01 2off n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2off s LEU 380 N -2.27 4.40 0.33 1.34 1.43 -1.26 -4.89 118.68 117.76 2off s LEU 380 Ca 0.07 2.65 0.03 0.00 -1.03 0.00 0.00 54.13 55.86 2off s LEU 380 Cb 0.10 -3.56 0.63 0.00 0.03 0.00 0.00 46.19 43.40 2off s LEU 380 CO 0.43 -0.99 1.93 1.55 0.23 0.00 0.00 176.35 179.50 2off h PRO 381 N 9.07 0.87 0.00 1.29 0.13 -1.98 -1.96 132.00 139.42 2off h PRO 381 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2off h PRO 381 Cb 1.22 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2off h PRO 381 CO 0.94 0.57 0.00 -0.85 -0.23 0.00 0.00 178.00 178.44 2off n GLU 382 N -4.48 0.16 0.05 0.86 0.00 -1.26 -2.38 120.64 113.58 2off n GLU 382 Ca 0.12 0.37 0.12 0.00 0.00 0.00 0.00 57.16 57.77 2off n GLU 382 Cb 0.21 -1.79 0.07 0.00 0.00 0.00 0.00 31.44 29.93 2off n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2off n ALA 383 N -1.72 3.10 -2.07 -1.84 0.00 -0.74 -0.74 120.51 116.50 2off n ALA 383 Ca 0.03 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 2off n ALA 383 Cb 0.23 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 2off n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2off s LEU 384 N -4.22 4.44 -0.27 0.00 1.43 -1.00 -4.24 118.68 114.82 2off s LEU 384 Ca 0.04 2.23 -0.26 0.00 -1.03 0.00 0.00 54.13 55.11 2off s LEU 384 Cb 0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2off s LEU 384 CO 0.77 -0.38 0.88 -1.61 0.23 0.00 0.00 176.35 176.24 2off s GLU 385 N -0.15 4.11 -0.33 1.70 2.02 -1.26 -4.77 118.70 120.03 2off s GLU 385 Ca 0.53 0.92 -0.01 0.00 0.02 0.00 0.00 54.97 56.43 2off s GLU 385 Cb -0.33 -3.68 0.11 0.00 0.10 0.00 0.00 34.13 30.33 2off s GLU 385 CO 0.36 -0.64 0.13 1.03 0.02 0.00 0.00 175.26 176.16 2off s ARG 386 N 3.05 0.65 -0.07 1.61 0.52 -1.26 -2.20 118.95 121.27 2off s ARG 386 Ca 0.37 -1.10 -0.25 0.00 -0.52 0.00 0.00 55.73 54.23 2off s ARG 386 Cb -0.14 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 2off s ARG 386 CO 0.10 -1.04 0.77 -1.58 0.02 0.00 0.00 175.30 173.57 2off s TRP 387 N 1.51 3.57 0.14 -0.53 0.52 -0.64 -4.73 118.94 118.79 2off s TRP 387 Ca 0.11 1.33 -0.34 0.00 0.02 0.00 0.00 56.10 57.22 2off s TRP 387 Cb -0.18 -2.89 -0.14 0.00 -1.15 0.00 0.00 33.47 29.11 2off s TRP 387 CO -0.22 0.03 1.60 -2.30 0.02 0.00 0.00 176.95 176.07 2off n PRO 388 N 4.00 2.14 -0.26 4.98 -0.02 -1.26 -0.26 135.00 144.32 2off n PRO 388 Ca 0.01 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 2off n PRO 388 Cb 0.51 -2.55 0.39 0.00 -0.02 0.00 0.00 33.50 31.83 2off n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2off h VAL 389 N 3.74 0.84 -0.18 -1.45 2.07 -1.42 -2.18 116.25 117.65 2off h VAL 389 Ca -0.45 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 2off h VAL 389 Cb 1.26 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2off h VAL 389 CO 0.89 0.12 -0.01 1.12 0.02 0.00 0.00 177.57 179.71 2off h HIS 390 N 0.67 0.27 -0.03 1.57 2.07 -1.90 0.47 115.15 118.27 2off h HIS 390 Ca 0.44 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.94 2off h HIS 390 Cb 0.72 -0.08 -0.00 0.00 2.57 0.00 0.00 27.41 30.62 2off h HIS 390 CO -0.00 0.30 0.01 -0.07 -3.07 0.00 0.00 177.93 175.09 2off h LEU 391 N 0.26 0.04 -1.19 6.12 3.38 -1.77 -2.84 115.31 119.32 2off h LEU 391 Ca 0.06 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2off h LEU 391 Cb 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2off h LEU 391 CO 0.01 0.26 -0.39 -0.07 0.09 0.00 0.00 178.44 178.33 2off h LEU 392 N -0.18 0.00 -0.84 1.67 3.38 -1.39 -0.89 115.31 117.05 2off h LEU 392 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2off h LEU 392 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2off h LEU 392 CO 0.00 0.39 -0.00 -0.08 0.09 0.00 0.00 178.44 178.84 2off h GLU 393 N 0.00 0.86 0.05 1.13 4.81 -0.90 0.37 114.58 120.90 2off h GLU 393 Ca -0.00 -0.24 -0.20 0.00 -0.13 0.00 0.00 59.36 58.79 2off h GLU 393 Cb 0.74 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2off h GLU 393 CO 0.05 0.86 -1.03 1.15 -0.73 0.00 0.00 179.01 179.31 2off h THR 394 N 0.80 1.18 0.08 0.32 2.02 -1.30 -3.34 112.91 112.66 2off h THR 394 Ca 0.15 -2.32 -0.29 0.00 0.77 0.00 0.00 66.41 64.72 2off h THR 394 Cb 0.48 2.72 0.03 0.00 -1.74 0.00 0.00 68.15 69.64 2off h THR 394 CO 0.02 0.56 -1.17 0.25 0.37 0.00 0.00 175.52 175.55 2off h LEU 395 N -0.68 0.90 -5.99 2.58 5.85 -1.23 -3.37 115.31 113.37 2off h LEU 395 Ca -0.25 -0.78 -0.52 0.00 0.84 0.00 0.00 57.88 57.17 2off h LEU 395 Cb 1.44 -0.28 -0.40 0.00 0.37 0.00 0.00 40.66 41.80 2off h LEU 395 CO -0.04 1.59 -1.13 0.18 -0.34 0.00 0.00 178.44 178.70 2off n LEU 396 N -3.81 0.66 -0.24 2.25 4.77 0.11 -0.72 117.00 120.02 2off n LEU 396 Ca -0.13 -4.88 0.02 0.00 -0.03 0.00 0.00 56.01 50.99 2off n LEU 396 Cb 0.95 0.62 0.25 0.00 -2.33 0.00 0.00 43.42 42.91 2off n LEU 396 CO 0.57 2.18 1.24 1.55 -1.33 0.00 0.00 177.39 181.61 2off h PRO 397 N 3.50 0.97 -0.37 3.23 0.13 -1.66 -1.78 132.00 136.03 2off h PRO 397 Ca 0.09 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 2off h PRO 397 Cb 0.91 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 2off h PRO 397 CO 0.50 0.64 -0.35 -0.09 -0.23 0.00 0.00 178.00 178.47 2off h ARG 398 N 1.00 0.85 -0.24 0.86 9.65 -1.92 -2.95 114.38 121.63 2off h ARG 398 Ca 0.31 -0.42 -0.09 0.00 -1.10 0.00 0.00 59.98 58.68 2off h ARG 398 Cb 0.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2off h ARG 398 CO -0.09 1.06 -0.24 0.45 2.80 0.00 0.00 179.97 183.96 2off h HIS 399 N 0.70 0.50 -0.26 2.20 3.86 -1.69 -2.11 115.15 118.35 2off h HIS 399 Ca 0.07 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2off h HIS 399 Cb 0.91 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 2off h HIS 399 CO 0.05 0.65 0.14 1.25 0.86 0.00 0.00 177.93 180.89 2off h LEU 400 N 0.40 0.32 -0.67 2.43 6.46 -1.38 -0.46 115.31 122.40 2off h LEU 400 Ca 0.06 -0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.81 2off h LEU 400 Cb 0.63 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 2off h LEU 400 CO 0.05 0.31 0.37 1.56 -0.62 0.00 0.00 178.44 180.10 2off h GLN 401 N 0.30 0.65 -0.55 1.25 4.20 -1.31 -0.41 115.11 119.23 2off h GLN 401 Ca 0.09 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 2off h GLN 401 Cb 0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2off h GLN 401 CO -0.01 0.43 -0.01 0.82 -0.67 0.00 0.00 178.83 179.39 2off h ILE 402 N 0.67 1.26 -0.61 2.54 2.04 -1.23 -2.00 117.51 120.18 2off h ILE 402 Ca 0.31 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2off h ILE 402 Cb 0.22 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2off h ILE 402 CO -0.20 0.40 0.32 0.40 0.00 0.00 0.00 178.15 179.08 2off h ILE 403 N 0.87 1.20 -0.77 -0.67 2.04 -0.56 0.11 117.51 119.74 2off h ILE 403 Ca 0.16 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 2off h ILE 403 Cb 0.55 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2off h ILE 403 CO 0.03 0.22 0.46 1.88 0.00 0.00 0.00 178.15 180.75 2off h TYR 404 N 0.83 1.02 -0.37 1.37 0.05 -0.92 0.57 116.97 119.52 2off h TYR 404 Ca 0.21 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.86 2off h TYR 404 Cb 0.07 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 2off h TYR 404 CO -0.01 0.68 -0.31 1.49 -1.05 0.00 0.00 178.16 178.97 2off h GLU 405 N 1.05 0.81 -0.56 4.88 4.57 -1.07 -0.69 114.58 123.58 2off h GLU 405 Ca 0.28 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2off h GLU 405 Cb -0.03 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 2off h GLU 405 CO -0.05 1.00 0.34 0.82 -1.18 0.00 0.00 179.01 179.94 2off h ILE 406 N 0.68 1.17 -0.38 2.32 2.04 -0.46 -2.55 117.51 120.33 2off h ILE 406 Ca 0.08 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2off h ILE 406 Cb 0.85 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2off h ILE 406 CO 0.07 0.17 0.15 -1.13 0.00 0.00 0.00 178.15 177.41 2off h ASN 407 N 0.75 0.53 0.17 1.72 -1.24 -0.58 -1.54 115.58 115.39 2off h ASN 407 Ca 0.20 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.05 2off h ASN 407 Cb -0.02 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 2off h ASN 407 CO -0.04 0.56 -0.20 -0.61 -1.29 0.00 0.00 177.43 175.85 2off h GLN 408 N 0.47 -0.40 -0.35 6.67 4.15 -1.06 -0.89 115.11 123.69 2off h GLN 408 Ca 0.13 0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 2off h GLN 408 Cb 0.20 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 2off h GLN 408 CO -0.01 -0.27 -0.02 0.00 -1.93 0.00 0.00 178.83 176.60 2off h ARG 409 N -0.42 0.56 -0.24 1.69 3.08 -1.42 -1.95 114.38 115.67 2off h ARG 409 Ca 0.01 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 2off h ARG 409 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2off h ARG 409 CO -0.07 0.60 -0.08 0.35 -1.07 0.00 0.00 179.97 179.69 2off h PHE 410 N 0.53 0.54 0.00 3.04 3.57 -1.08 -3.08 116.94 120.46 2off h PHE 410 Ca 0.11 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2off h PHE 410 Cb 0.37 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2off h PHE 410 CO 0.01 0.72 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.43 2off h LEU 411 N 0.20 0.00 -1.04 0.59 3.38 -0.98 -2.28 115.31 115.19 2off h LEU 411 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2off h LEU 411 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2off h LEU 411 CO 0.03 0.32 0.14 0.78 0.09 0.00 0.00 178.44 179.79 2off h ASN 412 N 0.00 0.77 -0.03 -0.43 -0.26 -1.34 -0.48 115.58 113.81 2off h ASN 412 Ca -0.00 -0.13 -0.15 0.00 -0.56 0.00 0.00 56.30 55.45 2off h ASN 412 Cb 0.70 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 2off h ASN 412 CO 0.04 0.75 -0.49 0.03 -1.06 0.00 0.00 177.43 176.70 2off h ARG 413 N 0.80 0.59 -0.35 0.81 3.08 -1.34 -2.56 114.38 115.41 2off h ARG 413 Ca 0.18 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 2off h ARG 413 Cb 0.28 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2off h ARG 413 CO -0.00 0.95 -0.04 0.28 -1.07 0.00 0.00 179.97 180.08 2off h VAL 414 N 0.46 1.27 -0.46 2.04 2.07 -1.14 -2.22 116.25 118.27 2off h VAL 414 Ca 0.02 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2off h VAL 414 Cb 1.03 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2off h VAL 414 CO 0.10 0.35 0.30 0.00 0.02 0.00 0.00 177.57 178.33 2off h ALA 415 N 0.84 1.66 0.01 1.67 0.00 -1.09 0.13 119.26 122.47 2off h ALA 415 Ca 0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2off h ALA 415 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2off h ALA 415 CO 0.03 0.32 -0.87 0.00 0.00 0.00 0.00 179.25 178.72 2off h ALA 416 N 1.70 0.56 0.05 0.00 0.00 -1.31 -2.93 119.26 117.33 2off h ALA 416 Ca 0.17 -0.76 -0.26 0.00 0.00 0.00 0.00 54.91 54.05 2off h ALA 416 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2off h ALA 416 CO -0.04 1.02 -1.32 0.00 0.00 0.00 0.00 179.25 178.92 2off h ALA 417 N 1.09 0.38 -2.09 0.00 0.00 -0.91 -3.40 119.26 114.33 2off h ALA 417 Ca -0.02 -1.07 -0.58 0.00 0.00 0.00 0.00 54.91 53.24 2off h ALA 417 Cb 1.52 0.11 -0.40 0.00 0.00 0.00 0.00 17.79 19.02 2off h ALA 417 CO 0.12 1.25 -0.89 1.19 0.00 0.00 0.00 179.25 180.93 2off n PHE 418 N -3.34 1.35 -1.93 0.00 3.72 -0.01 -5.10 117.46 112.14 2off n PHE 418 Ca -0.09 -3.82 -0.42 0.00 -0.05 0.00 0.00 57.45 53.08 2off n PHE 418 Cb 1.00 -0.43 -0.02 0.00 -0.94 0.00 0.00 39.48 39.09 2off n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2off s PRO 419 N -1.72 4.22 0.00 -1.08 0.02 -1.11 -2.28 135.00 133.05 2off s PRO 419 Ca 0.37 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.78 2off s PRO 419 Cb 0.16 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.58 2off s PRO 419 CO -0.07 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2off n GLY 420 N 2.48 2.23 3.42 0.52 0.00 -1.26 -4.96 105.19 107.63 2off n GLY 420 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2off n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2off n ASP 421 N 0.00 4.89 0.09 1.61 4.64 -0.97 -4.80 116.55 122.02 2off n ASP 421 Ca 0.00 -2.93 0.01 0.00 -1.38 0.00 0.00 54.79 50.49 2off n ASP 421 Cb 0.00 -1.69 0.34 0.00 -1.04 0.00 0.00 41.12 38.73 2off n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2off h VAL 422 N 5.10 1.21 -0.03 5.18 -1.51 -1.93 -2.86 116.25 121.41 2off h VAL 422 Ca 0.43 -0.92 -0.16 0.00 -1.23 0.00 0.00 66.70 64.82 2off h VAL 422 Cb 0.83 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 2off h VAL 422 CO 1.47 0.29 -0.71 -0.78 -1.23 0.00 0.00 177.57 176.61 2off h ASP 423 N 0.28 0.23 -0.55 4.19 3.58 -2.00 -2.98 116.42 119.16 2off h ASP 423 Ca 0.05 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.37 2off h ASP 423 Cb 0.45 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2off h ASP 423 CO 0.03 0.86 0.35 -0.09 -2.88 0.00 0.00 179.24 177.51 2off h ARG 424 N 0.13 0.69 -0.81 0.28 2.43 -1.92 -1.33 114.38 113.85 2off h ARG 424 Ca -0.02 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2off h ARG 424 Cb 1.26 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.58 2off h ARG 424 CO 0.11 0.45 0.45 -0.07 -1.51 0.00 0.00 179.97 179.40 2off h LEU 425 N 0.71 0.64 -0.41 3.80 3.38 -1.46 0.02 115.31 121.99 2off h LEU 425 Ca 0.21 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 2off h LEU 425 Cb -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2off h LEU 425 CO -0.07 0.36 -0.79 0.08 0.09 0.00 0.00 178.44 178.10 2off h ARG 426 N 0.75 0.14 -0.01 1.13 -0.00 -1.35 -2.51 114.38 112.54 2off h ARG 426 Ca 0.39 -0.14 -0.14 0.00 -0.00 0.00 0.00 59.98 60.10 2off h ARG 426 Cb 0.38 0.04 -0.02 0.00 -0.00 0.00 0.00 29.97 30.37 2off h ARG 426 CO -0.26 0.86 -0.64 0.00 -0.00 0.00 0.00 179.97 179.93 2off h ARG 427 N 0.08 0.03 0.00 0.08 3.08 -0.52 -3.28 114.38 113.85 2off h ARG 427 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2off h ARG 427 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2off h ARG 427 CO 0.12 0.66 -1.02 -1.33 -1.07 0.00 0.00 179.97 177.33 2off n MET 428 N -3.78 0.22 -1.70 0.04 2.81 -0.08 -4.96 117.12 109.67 2off n MET 428 Ca -0.01 -0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.43 2off n MET 428 Cb 0.64 -1.56 -0.01 0.00 -0.71 0.00 0.00 33.22 31.58 2off n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2off n SER 429 N -1.83 2.81 0.25 7.83 2.88 -0.95 -4.88 113.62 119.73 2off n SER 429 Ca 0.02 1.20 0.14 0.00 -1.33 0.00 0.00 58.87 58.90 2off n SER 429 Cb 0.41 -1.48 0.50 0.00 -0.75 0.00 0.00 64.21 62.88 2off n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2off h LEU 430 N 2.82 0.00 -8.94 2.46 3.38 -1.91 -3.42 115.31 109.71 2off h LEU 430 Ca -0.46 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.88 2off h LEU 430 Cb 1.28 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.87 2off h LEU 430 CO 0.65 0.07 -0.39 -0.69 0.09 0.00 0.00 178.44 178.16 2off s VAL 431 N -3.54 5.25 -0.18 1.22 1.01 -1.26 -0.48 120.40 122.43 2off s VAL 431 Ca 0.02 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 2off s VAL 431 Cb 0.08 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2off s VAL 431 CO 0.60 0.22 0.37 -1.61 0.00 0.00 0.00 175.10 174.67 2off s GLU 432 N 1.83 4.23 0.36 2.72 2.02 0.94 -4.97 118.70 125.82 2off s GLU 432 Ca 0.11 0.19 -0.05 0.00 0.02 0.00 0.00 54.97 55.24 2off s GLU 432 Cb -0.16 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 2off s GLU 432 CO 0.10 0.09 0.64 -1.21 0.02 0.00 0.00 175.26 174.89 2off s GLU 433 N 0.92 3.61 0.00 1.61 8.01 -1.26 -1.78 118.70 129.81 2off s GLU 433 Ca 0.19 0.07 0.00 0.00 0.01 0.00 0.00 54.97 55.24 2off s GLU 433 Cb -0.14 -2.55 0.00 0.00 -4.31 0.00 0.00 34.13 27.13 2off s GLU 433 CO 0.07 0.07 0.00 0.41 0.01 0.00 0.00 175.26 175.82 2off n GLY 434 N -1.41 0.08 0.43 -1.39 0.00 -1.26 -4.94 105.19 96.69 2off n GLY 434 Ca -0.01 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2off n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2off h ALA 435 N 0.00 -0.65 -3.67 4.61 0.00 -2.07 -3.37 119.26 114.12 2off h ALA 435 Ca 0.00 0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.30 2off h ALA 435 Cb 0.00 1.26 -0.27 0.00 0.00 0.00 0.00 17.79 18.78 2off h ALA 435 CO 0.00 -0.99 -0.79 0.14 0.00 0.00 0.00 179.25 177.61 2off s VAL 436 N -5.51 2.83 0.29 0.00 -7.23 -1.26 -5.11 120.40 104.41 2off s VAL 436 Ca -0.13 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.98 2off s VAL 436 Cb 0.10 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.80 2off s VAL 436 CO 0.60 0.56 1.30 -0.54 -0.31 0.00 0.00 175.10 176.71 2off s LYS 437 N -0.09 4.38 0.07 4.82 1.02 -1.26 -4.82 119.74 123.87 2off s LYS 437 Ca -0.03 2.15 0.04 0.00 0.02 0.00 0.00 55.97 58.15 2off s LYS 437 Cb -0.14 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 2off s LYS 437 CO 0.04 -0.18 -0.11 1.03 -0.92 0.00 0.00 175.35 175.21 2off s ARG 438 N -1.28 0.75 -0.23 1.68 0.52 -0.73 -1.04 118.95 118.62 2off s ARG 438 Ca 0.51 -0.99 -0.11 0.00 -0.52 0.00 0.00 55.73 54.62 2off s ARG 438 Cb -0.39 -0.56 -0.05 0.00 0.52 0.00 0.00 34.95 34.48 2off s ARG 438 CO 0.48 0.10 0.20 0.42 0.02 0.00 0.00 175.30 176.52 2off s ILE 439 N -1.81 5.33 -0.48 1.52 -1.09 0.64 -0.04 121.20 125.27 2off s ILE 439 Ca -0.01 0.27 -0.25 0.00 -2.23 0.00 0.00 60.65 58.43 2off s ILE 439 Cb -0.07 -3.54 0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2off s ILE 439 CO 0.01 0.33 0.92 0.21 -1.23 0.00 0.00 174.94 175.17 2off s ASN 440 N 1.07 6.46 0.30 3.58 3.84 0.37 -1.62 114.94 128.94 2off s ASN 440 Ca 0.09 0.01 0.15 0.00 0.21 0.00 0.00 52.86 53.33 2off s ASN 440 Cb -0.14 -2.44 0.36 0.00 -0.55 0.00 0.00 41.25 38.48 2off s ASN 440 CO 0.05 -1.08 1.58 0.24 -2.79 0.00 0.00 177.10 175.11 2off h MET 441 N 9.12 0.00 -0.75 0.43 2.86 -1.75 -2.64 114.93 122.19 2off h MET 441 Ca -0.24 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 2off h MET 441 Cb 1.08 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 2off h MET 441 CO 1.03 0.52 0.30 0.00 1.06 0.00 0.00 176.91 179.83 2off h ALA 442 N 1.48 0.98 -0.50 6.32 0.00 -1.92 -1.58 119.26 124.05 2off h ALA 442 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2off h ALA 442 Cb 1.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2off h ALA 442 CO 0.07 0.60 -0.11 0.45 0.00 0.00 0.00 179.25 180.26 2off h HIS 443 N 1.09 1.07 -0.35 0.00 3.86 -1.90 -1.91 115.15 117.00 2off h HIS 443 Ca 0.25 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2off h HIS 443 Cb 0.21 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 2off h HIS 443 CO 0.02 1.02 0.11 1.25 0.86 0.00 0.00 177.93 181.18 2off h LEU 444 N 0.81 0.09 -0.68 2.43 6.46 -1.38 -2.31 115.31 120.73 2off h LEU 444 Ca 0.13 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2off h LEU 444 Cb 0.67 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 2off h LEU 444 CO 0.05 0.09 0.45 0.00 -0.62 0.00 0.00 178.44 178.41 2off h ILE 446 N 0.91 1.23 -0.85 0.00 2.04 -1.19 -2.32 117.51 117.34 2off h ILE 446 Ca 0.25 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2off h ILE 446 Cb -0.09 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2off h ILE 446 CO -0.06 0.25 0.52 0.00 0.00 0.00 0.00 178.15 178.86 2off h ALA 447 N 0.84 1.31 -0.40 1.87 0.00 -1.32 -3.17 119.26 118.39 2off h ALA 447 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2off h ALA 447 Cb 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2off h ALA 447 CO 0.01 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2off n GLY 448 N -1.28 1.37 3.43 0.00 0.00 -0.67 -4.94 105.19 103.09 2off n GLY 448 Ca 0.09 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2off n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2off s SER 449 N -1.35 3.54 0.04 1.61 0.01 -0.88 -3.83 113.70 112.84 2off s SER 449 Ca 0.37 -0.71 0.25 0.00 1.31 0.00 0.00 55.95 57.17 2off s SER 449 Cb 0.21 -0.34 0.50 0.00 0.21 0.00 0.00 66.02 66.60 2off s SER 449 CO 0.29 0.17 1.41 0.00 0.41 0.00 0.00 173.24 175.52 2off n HIS 450 N 0.74 0.17 -3.80 2.43 1.44 -0.58 -4.87 115.22 110.76 2off n HIS 450 Ca -0.16 0.05 -0.13 0.00 -2.01 0.00 0.00 57.72 55.47 2off n HIS 450 Cb 0.53 -0.39 -0.12 0.00 0.12 0.00 0.00 29.99 30.13 2off n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2off s ALA 451 N -3.05 -0.49 -0.06 1.59 0.00 -1.26 -4.58 121.76 113.90 2off s ALA 451 Ca 0.10 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.68 2off s ALA 451 Cb 0.16 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2off s ALA 451 CO 0.70 -0.10 -0.11 0.08 0.00 0.00 0.00 175.76 176.32 2off s VAL 452 N 0.23 1.04 0.02 0.00 1.01 0.95 -1.50 120.40 122.15 2off s VAL 452 Ca -0.01 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2off s VAL 452 Cb -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2off s VAL 452 CO -0.01 0.33 -0.11 0.54 0.00 0.00 0.00 175.10 175.86 2off s ASN 453 N 0.72 1.27 0.74 3.32 4.22 -0.64 -0.54 114.94 124.03 2off s ASN 453 Ca -0.14 -0.36 -0.01 0.00 -2.14 0.00 0.00 52.86 50.22 2off s ASN 453 Cb -0.16 -0.08 0.14 0.00 1.28 0.00 0.00 41.25 42.43 2off s ASN 453 CO 0.03 0.02 1.02 -0.83 -2.04 0.00 0.00 177.10 175.30 2off s GLY 454 N -0.85 1.75 0.00 0.45 0.00 -1.09 -1.19 107.32 106.39 2off s GLY 454 Ca 0.00 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 42.98 2off s GLY 454 CO 0.00 -1.19 0.93 3.33 0.00 0.00 0.00 173.10 176.18 2off n VAL 455 N -2.89 0.58 -3.50 1.40 0.24 -1.26 -1.93 118.33 110.96 2off n VAL 455 Ca 0.16 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.34 61.54 2off n VAL 455 Cb 0.61 0.76 -0.04 0.00 -1.47 0.00 0.00 33.84 33.70 2off n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2off s ALA 456 N -0.77 -1.77 0.21 2.33 0.00 -1.26 -0.96 121.76 119.55 2off s ALA 456 Ca 0.09 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 53.07 2off s ALA 456 Cb 0.05 0.16 0.31 0.00 0.00 0.00 0.00 23.12 23.64 2off s ALA 456 CO 0.07 -0.52 1.71 -0.09 0.00 0.00 0.00 175.76 176.93 2off h ARG 457 N 2.46 0.27 -0.45 0.00 2.43 -1.90 0.61 114.38 117.79 2off h ARG 457 Ca -0.26 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.79 2off h ARG 457 Cb 1.21 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2off h ARG 457 CO 0.35 0.18 -0.12 0.97 -1.51 0.00 0.00 179.97 179.84 2off h ILE 458 N 0.28 1.26 -0.24 1.20 2.10 -1.90 -1.94 117.51 118.27 2off h ILE 458 Ca 0.32 -1.21 -0.06 0.00 1.08 0.00 0.00 64.86 64.99 2off h ILE 458 Cb 0.48 1.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.25 2off h ILE 458 CO -0.40 0.42 -0.08 -0.74 -1.08 0.00 0.00 178.15 176.26 2off h HIS 459 N 0.75 0.54 -0.79 2.19 2.76 -1.54 -1.68 115.15 117.39 2off h HIS 459 Ca 0.12 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2off h HIS 459 Cb 0.63 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 2off h HIS 459 CO 0.03 0.72 0.52 0.77 -1.30 0.00 0.00 177.93 178.68 2off h SER 460 N 0.20 0.91 -0.40 3.26 0.02 -0.80 -1.40 113.55 115.35 2off h SER 460 Ca 0.06 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 2off h SER 460 Cb 0.57 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2off h SER 460 CO 0.03 0.66 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.95 2off h GLU 461 N 1.07 0.76 -0.87 3.45 4.39 -1.25 -2.89 114.58 119.25 2off h GLU 461 Ca 0.29 -0.29 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2off h GLU 461 Cb -0.12 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.43 2off h GLU 461 CO -0.06 0.90 0.56 0.82 -1.16 0.00 0.00 179.01 180.07 2off h ILE 462 N 0.58 1.07 -0.74 3.13 2.04 -0.95 -1.06 117.51 121.58 2off h ILE 462 Ca 0.10 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2off h ILE 462 Cb 0.62 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2off h ILE 462 CO 0.04 0.18 0.32 -0.07 0.00 0.00 0.00 178.15 178.62 2off h LEU 463 N 0.98 0.98 -0.11 1.44 3.38 -1.11 0.24 115.31 121.11 2off h LEU 463 Ca 0.37 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2off h LEU 463 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2off h LEU 463 CO -0.13 0.85 -0.55 0.11 0.09 0.00 0.00 178.44 178.82 2off h LYS 464 N 1.06 0.00 0.02 1.13 1.57 -1.17 -1.65 116.57 117.53 2off h LYS 464 Ca 0.25 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.69 2off h LYS 464 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2off h LYS 464 CO -0.03 0.55 -2.08 1.63 -0.57 0.00 0.00 179.45 178.95 2off n LYS 465 N -3.27 0.67 0.00 3.15 5.02 -0.47 -3.93 118.16 119.33 2off n LYS 465 Ca 0.01 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2off n LYS 465 Cb 0.73 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2off n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2off n THR 466 N -3.05 0.00 -0.11 -0.18 -2.24 0.05 -4.72 114.28 104.03 2off n THR 466 Ca -0.28 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.53 2off n THR 466 Cb 1.08 -0.05 0.34 0.00 -2.10 0.00 0.00 70.33 69.60 2off n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2off h ILE 467 N 0.00 1.12 -0.30 2.28 3.07 -1.71 -2.42 117.51 119.55 2off h ILE 467 Ca 0.00 -0.26 -0.08 0.00 1.55 0.00 0.00 64.86 66.06 2off h ILE 467 Cb 0.00 0.29 -0.05 0.00 -0.27 0.00 0.00 36.82 36.79 2off h ILE 467 CO 0.00 0.14 -0.01 0.49 -1.05 0.00 0.00 178.15 177.72 2off n PHE 468 N -4.45 1.01 -0.14 0.16 0.99 -0.62 -4.78 117.46 109.62 2off n PHE 468 Ca 0.06 -1.19 -0.03 0.00 -0.00 0.00 0.00 57.45 56.29 2off n PHE 468 Cb 0.08 -0.39 0.04 0.00 -1.00 0.00 0.00 39.48 38.21 2off n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2off h LYS 469 N 1.37 0.10 -0.59 -1.08 3.64 -1.43 -0.70 116.57 117.88 2off h LYS 469 Ca 0.10 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2off h LYS 469 Cb 1.55 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.29 2off h LYS 469 CO 0.30 0.06 0.30 -0.44 -2.27 0.00 0.00 179.45 177.40 2off h ASP 470 N 0.10 0.42 -0.57 4.20 3.32 -1.86 -1.59 116.42 120.44 2off h ASP 470 Ca 0.23 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 2off h ASP 470 Cb 0.33 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2off h ASP 470 CO -0.39 0.28 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.10 2off h PHE 471 N 0.56 1.15 -0.44 4.55 0.04 -1.78 -2.22 116.94 118.80 2off h PHE 471 Ca 0.26 -0.22 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2off h PHE 471 Cb 0.19 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 2off h PHE 471 CO -0.10 1.04 0.12 -0.92 -0.60 0.00 0.00 178.31 177.85 2off h TYR 472 N 0.92 0.65 -0.26 -0.55 3.20 -0.85 0.03 116.97 120.12 2off h TYR 472 Ca 0.15 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 2off h TYR 472 Cb 0.62 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2off h TYR 472 CO 0.04 0.55 -0.41 0.93 -1.64 0.00 0.00 178.16 177.63 2off h GLU 473 N 0.63 0.62 -0.05 1.82 5.08 -1.00 -2.19 114.58 119.49 2off h GLU 473 Ca 0.15 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2off h GLU 473 Cb 0.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2off h GLU 473 CO -0.01 0.92 -0.12 1.25 -1.00 0.00 0.00 179.01 180.05 2off h LEU 474 N 0.51 0.20 -6.29 1.33 5.85 -1.14 -3.41 115.31 112.35 2off h LEU 474 Ca 0.04 -0.58 -0.58 0.00 0.84 0.00 0.00 57.88 57.59 2off h LEU 474 Cb 0.93 -0.06 -0.40 0.00 0.37 0.00 0.00 40.66 41.51 2off h LEU 474 CO 0.08 0.75 -0.91 -0.62 -0.34 0.00 0.00 178.44 177.40 2off n GLU 475 N -4.64 1.02 -0.12 1.25 1.02 -0.03 -4.98 120.64 114.15 2off n GLU 475 Ca -0.08 -3.63 0.01 0.00 -0.02 0.00 0.00 57.16 53.44 2off n GLU 475 Cb 0.37 -1.68 0.31 0.00 -0.02 0.00 0.00 31.44 30.42 2off n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2off h PRO 476 N 4.72 0.79 0.00 3.49 0.13 -1.62 -2.75 132.00 136.77 2off h PRO 476 Ca 0.16 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2off h PRO 476 Cb 0.83 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 2off h PRO 476 CO 0.53 0.55 -0.03 1.12 -0.23 0.00 0.00 178.00 179.95 2off h HIS 477 N 0.81 0.00 0.00 1.56 2.07 -1.94 -2.79 115.15 114.86 2off h HIS 477 Ca 0.21 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.69 2off h HIS 477 Cb -0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.93 2off h HIS 477 CO 0.00 0.03 -0.21 -0.22 -3.07 0.00 0.00 177.93 174.46 2off h LYS 478 N 0.00 0.00 -5.45 5.12 3.64 -1.73 -3.45 116.57 114.70 2off h LYS 478 Ca -0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 2off h LYS 478 Cb 0.16 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.87 2off h LYS 478 CO 0.00 0.21 -0.21 -0.06 -2.27 0.00 0.00 179.45 177.12 2off s PHE 479 N -3.53 3.39 0.22 1.91 0.08 -1.06 -0.03 117.98 118.96 2off s PHE 479 Ca 0.02 0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.71 2off s PHE 479 Cb 0.09 -2.50 -0.05 0.00 -0.57 0.00 0.00 43.02 39.99 2off s PHE 479 CO 0.64 0.03 0.05 -0.65 -0.10 0.00 0.00 175.22 175.19 2off s GLN 480 N 1.16 1.26 -0.04 0.44 -0.21 0.30 -4.96 119.66 117.61 2off s GLN 480 Ca 0.19 -1.65 0.04 0.00 0.02 0.00 0.00 55.36 53.97 2off s GLN 480 Cb -0.15 -0.27 -0.03 0.00 1.00 0.00 0.00 33.01 33.57 2off s GLN 480 CO 0.08 -0.21 -0.16 1.21 -2.12 0.00 0.00 175.29 174.09 2off s ASN 481 N -3.24 3.90 -0.36 5.90 3.84 -1.26 -2.66 114.94 121.05 2off s ASN 481 Ca 0.31 -0.24 -0.00 0.00 0.21 0.00 0.00 52.86 53.14 2off s ASN 481 Cb 0.07 -0.77 0.13 0.00 -0.55 0.00 0.00 41.25 40.13 2off s ASN 481 CO 0.09 0.34 0.20 -0.54 -2.79 0.00 0.00 177.10 174.40 2off s LYS 482 N -0.75 0.63 0.21 0.43 -0.14 -0.81 -4.95 119.74 114.36 2off s LYS 482 Ca 0.11 -1.35 -0.32 0.00 -1.36 0.00 0.00 55.97 53.05 2off s LYS 482 Cb -0.11 -1.46 -0.13 0.00 -1.68 0.00 0.00 37.83 34.46 2off s LYS 482 CO 0.00 -1.18 1.55 2.41 -0.76 0.00 0.00 175.35 177.38 2off n THR 483 N 4.10 0.43 -0.57 2.17 -1.04 -1.26 -4.26 114.28 113.86 2off n THR 483 Ca 0.10 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.05 61.70 2off n THR 483 Cb 0.37 -1.65 0.22 0.00 -1.82 0.00 0.00 70.33 67.45 2off n THR 483 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2off s ASN 484 N 0.70 1.75 0.29 8.00 0.02 -0.13 -4.66 114.94 120.91 2off s ASN 484 Ca 0.73 1.87 -0.10 0.00 -1.02 0.00 0.00 52.86 54.34 2off s ASN 484 Cb -0.62 -2.46 0.00 0.00 0.02 0.00 0.00 41.25 38.20 2off s ASN 484 CO 0.42 -3.78 0.51 -0.83 0.02 0.00 0.00 177.10 173.44 2off s GLY 485 N -2.52 0.79 0.11 0.66 0.00 -1.26 -4.80 107.32 100.30 2off s GLY 485 Ca 0.68 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 44.40 2off s GLY 485 CO 0.62 -0.70 -0.13 -0.26 0.00 0.00 0.00 173.10 172.63 2off s ILE 486 N -3.56 1.23 -0.15 0.90 -4.36 -0.08 -4.49 121.20 110.69 2off s ILE 486 Ca 0.24 -1.68 -0.29 0.00 -0.26 0.00 0.00 60.65 58.66 2off s ILE 486 Cb -0.01 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.23 2off s ILE 486 CO 0.12 -0.44 1.00 0.28 0.24 0.00 0.00 174.94 176.14 2off s THR 487 N -2.17 4.76 -1.07 8.37 -1.32 -1.26 -1.03 115.64 121.93 2off s THR 487 Ca 0.08 2.00 0.13 0.00 -1.21 0.00 0.00 61.69 62.68 2off s THR 487 Cb -0.05 -4.29 0.13 0.00 -1.51 0.00 0.00 72.50 66.78 2off s THR 487 CO 0.02 -0.05 1.41 -0.81 -2.21 0.00 0.00 174.62 172.98 2off n PRO 488 N 5.40 0.03 0.14 7.08 -0.04 -1.26 -1.62 135.00 144.73 2off n PRO 488 Ca 0.09 0.26 -0.06 0.00 -0.04 0.00 0.00 63.50 63.75 2off n PRO 488 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 2off n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2off h ARG 489 N 0.00 -0.40 -0.51 0.54 -0.00 -1.91 -2.19 114.38 109.91 2off h ARG 489 Ca 0.00 0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.46 2off h ARG 489 Cb 0.21 0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.25 2off h ARG 489 CO 0.00 -0.26 0.14 -0.09 0.00 0.00 0.00 179.97 179.75 2off h ARG 490 N -0.85 0.81 -0.29 0.04 2.43 -1.97 0.24 114.38 114.80 2off h ARG 490 Ca -0.04 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2off h ARG 490 Cb 0.32 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2off h ARG 490 CO 0.07 0.77 0.00 0.91 -1.51 0.00 0.00 179.97 180.21 2off n TRP 491 N -4.46 0.38 0.05 2.20 7.02 -0.64 -2.92 117.44 119.06 2off n TRP 491 Ca 0.02 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 2off n TRP 491 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 2off n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2off n LEU 492 N 0.52 -0.06 -0.03 -0.99 7.94 -0.85 -4.78 117.00 118.74 2off n LEU 492 Ca 0.15 0.17 -0.10 0.00 -1.11 0.00 0.00 56.01 55.12 2off n LEU 492 Cb 0.34 0.14 -0.04 0.00 0.53 0.00 0.00 43.42 44.40 2off n LEU 492 CO 0.11 -0.60 0.93 0.58 -1.11 0.00 0.00 177.39 177.29 2off h VAL 493 N 0.00 1.01 -0.03 1.96 2.07 -1.15 0.27 116.25 120.38 2off h VAL 493 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2off h VAL 493 Cb 0.00 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2off h VAL 493 CO 0.00 0.04 -0.03 0.25 0.02 0.00 0.00 177.57 177.85 2off h LEU 494 N 0.20 0.07 0.00 2.57 6.46 -1.09 -3.12 115.31 120.40 2off h LEU 494 Ca 0.07 -0.49 -0.04 0.00 -0.12 0.00 0.00 57.88 57.30 2off h LEU 494 Cb 0.01 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 2off h LEU 494 CO -0.04 0.54 -1.14 0.00 -0.62 0.00 0.00 178.44 177.18 2off n ASN 496 N -2.72 1.64 -0.26 0.00 2.85 0.94 -4.87 115.26 112.84 2off n ASN 496 Ca -0.03 -3.12 0.05 0.00 -0.11 0.00 0.00 54.58 51.37 2off n ASN 496 Cb 0.63 -0.61 0.29 0.00 1.24 0.00 0.00 39.78 41.32 2off n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2off h PRO 497 N 3.21 0.89 -0.95 1.20 0.13 -1.63 -1.88 132.00 132.97 2off h PRO 497 Ca 0.11 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.27 2off h PRO 497 Cb 0.84 -0.20 -0.07 0.00 0.13 0.00 0.00 31.00 31.70 2off h PRO 497 CO 0.58 0.59 0.60 0.78 -0.23 0.00 0.00 178.00 180.32 2off h GLY 498 N 0.91 1.48 1.06 1.56 0.00 -1.91 -0.97 103.07 105.21 2off h GLY 498 Ca 0.37 -0.43 -0.26 0.00 0.00 0.00 0.00 47.33 47.01 2off h GLY 498 CO -0.14 0.25 -1.10 -2.00 0.00 0.00 0.00 176.54 173.55 2off h LEU 499 N 1.04 0.75 -1.75 3.11 5.85 -1.77 -3.04 115.31 119.50 2off h LEU 499 Ca 0.43 -0.85 0.06 0.00 0.84 0.00 0.00 57.88 58.36 2off h LEU 499 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2off h LEU 499 CO -0.21 1.53 0.28 0.00 -0.34 0.00 0.00 178.44 179.70 2off h ALA 500 N 0.23 2.00 -0.03 1.25 0.00 -1.13 -2.57 119.26 119.00 2off h ALA 500 Ca -0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2off h ALA 500 Cb 1.81 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.54 2off h ALA 500 CO 0.21 -0.08 -0.51 1.49 0.00 0.00 0.00 179.25 180.36 2off h GLU 501 N 0.30 0.41 0.00 0.00 4.57 -1.19 -1.90 114.58 116.77 2off h GLU 501 Ca 0.18 -0.39 -0.06 0.00 -1.18 0.00 0.00 59.36 57.91 2off h GLU 501 Cb 0.33 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2off h GLU 501 CO -0.04 1.05 -0.28 -0.84 -1.18 0.00 0.00 179.01 177.72 2off h ILE 502 N -0.09 0.97 -0.10 2.32 3.07 -1.45 -1.64 117.51 120.60 2off h ILE 502 Ca -0.05 -1.05 -0.05 0.00 1.55 0.00 0.00 64.86 65.25 2off h ILE 502 Cb 1.20 1.61 -0.00 0.00 -0.27 0.00 0.00 36.82 39.36 2off h ILE 502 CO 0.10 0.28 -0.12 0.40 -1.05 0.00 0.00 178.15 177.76 2off h ILE 503 N 0.00 1.38 -0.11 0.16 2.04 -1.46 -3.28 117.51 116.23 2off h ILE 503 Ca -0.00 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 2off h ILE 503 Cb 0.59 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2off h ILE 503 CO 0.04 0.38 -0.13 0.00 0.00 0.00 0.00 178.15 178.44 2off h ALA 504 N 0.55 1.58 -0.66 1.87 0.00 -1.05 -1.76 119.26 119.79 2off h ALA 504 Ca 0.01 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2off h ALA 504 Cb 0.67 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2off h ALA 504 CO 0.03 0.31 0.44 0.93 0.00 0.00 0.00 179.25 180.95 2off h GLU 505 N 0.17 0.59 0.02 0.00 5.08 -1.36 -0.02 114.58 119.06 2off h GLU 505 Ca 0.04 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2off h GLU 505 Cb 0.34 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2off h GLU 505 CO 0.02 0.39 -1.13 0.00 -1.00 0.00 0.00 179.01 177.29 2off h ARG 506 N 0.61 0.04 -0.03 2.33 2.47 -1.43 -3.43 114.38 114.94 2off h ARG 506 Ca 0.29 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2off h ARG 506 Cb 0.35 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2off h ARG 506 CO -0.09 1.04 0.00 0.44 0.56 0.00 0.00 179.97 181.91 2off n ILE 507 N -4.35 0.25 -2.17 2.04 -5.35 -0.73 -5.12 119.36 103.93 2off n ILE 507 Ca -0.28 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 2off n ILE 507 Cb 0.70 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 2off n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2off n GLY 508 N 0.08 -1.87 0.00 3.28 0.00 -0.02 -4.69 105.19 101.97 2off n GLY 508 Ca 0.02 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.42 2off n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2off n GLU 509 N 0.00 1.22 0.25 1.61 1.02 -1.26 -4.04 120.64 119.43 2off n GLU 509 Ca 0.00 -0.04 0.16 0.00 -0.02 0.00 0.00 57.16 57.27 2off n GLU 509 Cb 0.00 -1.32 0.87 0.00 -0.02 0.00 0.00 31.44 30.97 2off n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2off h GLU 510 N 0.00 0.00 0.00 3.49 4.39 -1.96 -2.63 114.58 117.86 2off h GLU 510 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2off h GLU 510 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2off h GLU 510 CO 0.00 0.00 -0.15 0.10 -1.16 0.00 0.00 179.01 177.80 2off h TYR 511 N 0.00 0.00 -0.55 4.33 -0.00 -1.81 -2.75 116.97 116.19 2off h TYR 511 Ca 0.05 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 58.84 2off h TYR 511 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.97 2off h TYR 511 CO 0.00 0.15 0.37 0.82 -0.00 0.00 0.00 178.16 179.50 2off h ILE 512 N 0.00 0.97 -0.19 -0.90 2.04 -1.83 -0.07 117.51 117.54 2off h ILE 512 Ca -0.00 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2off h ILE 512 Cb 0.36 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2off h ILE 512 CO 0.02 0.09 -0.00 -1.54 0.00 0.00 0.00 178.15 176.72 2off n SER 513 N -4.47 3.44 -2.79 1.72 3.41 -1.11 -4.70 113.62 109.12 2off n SER 513 Ca 0.08 -3.05 -0.08 0.00 -0.26 0.00 0.00 58.87 55.56 2off n SER 513 Cb 0.27 -0.52 0.03 0.00 -0.26 0.00 0.00 64.21 63.73 2off n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2off n ASP 514 N -0.78 -2.88 0.27 4.04 4.64 -0.13 -5.04 116.55 116.67 2off n ASP 514 Ca 0.20 -3.13 0.18 0.00 -1.38 0.00 0.00 54.79 50.67 2off n ASP 514 Cb 0.83 1.63 0.87 0.00 -1.04 0.00 0.00 41.12 43.41 2off n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2off h LEU 515 N 4.37 0.00 -1.62 -2.67 5.85 -1.60 -2.29 115.31 117.35 2off h LEU 515 Ca -0.06 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.76 2off h LEU 515 Cb 1.05 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2off h LEU 515 CO 0.23 0.00 0.41 0.44 -0.34 0.00 0.00 178.44 179.18 2off h ASP 516 N 0.00 0.38 0.00 1.25 3.32 -1.85 -2.15 116.42 117.38 2off h ASP 516 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2off h ASP 516 Cb 0.22 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2off h ASP 516 CO 0.00 0.23 0.18 0.00 -1.72 0.00 0.00 179.24 177.93 2off n GLN 517 N -4.47 0.10 0.32 3.56 6.02 -0.86 -1.69 117.38 120.36 2off n GLN 517 Ca 0.10 0.58 0.20 0.00 -0.01 0.00 0.00 57.00 57.87 2off n GLN 517 Cb 0.37 -2.01 1.08 0.00 1.02 0.00 0.00 30.24 30.70 2off n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2off h LEU 518 N 0.00 0.00 -1.98 1.08 3.38 -1.62 -2.18 115.31 113.98 2off h LEU 518 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2off h LEU 518 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2off h LEU 518 CO 0.00 0.01 0.21 0.03 0.09 0.00 0.00 178.44 178.78 2off h ARG 519 N 0.00 0.02 0.00 1.13 3.08 -0.90 -0.46 114.38 117.25 2off h ARG 519 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2off h ARG 519 Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2off h ARG 519 CO 0.00 0.01 0.14 0.87 -1.07 0.00 0.00 179.97 179.92 2off h LYS 520 N 0.02 0.00 0.00 0.04 1.57 -1.64 -0.17 116.57 116.39 2off h LYS 520 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2off h LYS 520 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2off h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 2off n LEU 521 N -2.89 0.73 0.18 2.94 4.77 -0.18 -2.96 117.00 119.59 2off n LEU 521 Ca -0.02 0.65 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 2off n LEU 521 Cb 0.20 -0.51 0.55 0.00 -2.33 0.00 0.00 43.42 41.33 2off n LEU 521 CO 0.16 -0.47 1.07 -0.07 -1.33 0.00 0.00 177.39 176.74 2off h LEU 522 N 0.00 0.14 0.00 2.23 4.07 -1.20 -1.51 115.31 119.03 2off h LEU 522 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2off h LEU 522 Cb 0.47 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2off h LEU 522 CO 0.00 0.13 0.00 -1.54 -1.08 0.00 0.00 178.44 175.95 2off n SER 523 N -4.48 0.00 -0.42 -0.43 3.41 -1.16 -2.85 113.62 107.69 2off n SER 523 Ca -0.01 -0.89 0.04 0.00 -0.26 0.00 0.00 58.87 57.75 2off n SER 523 Cb 0.11 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.15 2off n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2off n TYR 524 N -0.94 0.26 0.23 7.33 4.01 -0.57 -4.69 117.16 122.79 2off n TYR 524 Ca 0.17 -0.42 0.06 0.00 -0.16 0.00 0.00 57.90 57.56 2off n TYR 524 Cb 0.08 -0.03 0.53 0.00 -0.31 0.00 0.00 39.34 39.61 2off n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2off h VAL 525 N 1.40 1.03 -0.18 -0.72 3.04 -1.57 -1.76 116.25 117.49 2off h VAL 525 Ca 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2off h VAL 525 Cb 0.60 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2off h VAL 525 CO 0.00 0.20 0.00 0.47 -1.01 0.00 0.00 177.57 177.23 2off n ASP 526 N -4.13 3.06 -4.60 3.17 9.92 -1.26 -4.87 116.55 117.84 2off n ASP 526 Ca -0.02 -1.94 -0.43 0.00 -0.53 0.00 0.00 54.79 51.87 2off n ASP 526 Cb 0.27 -0.10 -0.02 0.00 -0.64 0.00 0.00 41.12 40.63 2off n ASP 526 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2off s ASP 527 N -1.65 6.47 0.39 -2.24 3.68 -0.66 -4.91 116.67 117.74 2off s ASP 527 Ca 0.30 0.66 0.09 0.00 2.13 0.00 0.00 52.55 55.73 2off s ASP 527 Cb 0.20 -2.54 0.79 0.00 -1.45 0.00 0.00 42.92 39.91 2off s ASP 527 CO 0.28 -1.36 1.93 -0.08 0.13 0.00 0.00 175.17 176.08 2off h GLU 528 N 10.06 0.28 -0.06 4.34 4.57 -1.91 -1.00 114.58 130.85 2off h GLU 528 Ca -0.25 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 2off h GLU 528 Cb 1.08 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2off h GLU 528 CO 1.11 0.38 0.01 0.00 -1.18 0.00 0.00 179.01 179.32 2off h ALA 529 N 1.65 0.08 -0.36 2.92 0.00 -1.95 -2.55 119.26 119.05 2off h ALA 529 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2off h ALA 529 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2off h ALA 529 CO 0.02 -0.27 0.18 0.35 0.00 0.00 0.00 179.25 179.53 2off h PHE 530 N -0.16 0.50 -0.59 0.00 3.04 -1.78 -1.43 116.94 116.51 2off h PHE 530 Ca 0.02 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.06 2off h PHE 530 Cb 0.30 -0.16 -0.09 0.00 2.56 0.00 0.00 35.95 38.57 2off h PHE 530 CO 0.02 0.41 0.12 0.82 -2.02 0.00 0.00 178.31 177.67 2off h ILE 531 N 0.44 0.64 -0.73 1.41 2.04 -1.25 -0.17 117.51 119.90 2off h ILE 531 Ca 0.12 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 2off h ILE 531 Cb 0.09 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2off h ILE 531 CO -0.02 0.05 0.26 -0.09 0.00 0.00 0.00 178.15 178.34 2off h ARG 532 N 0.25 1.10 -0.24 2.37 2.43 -1.17 -2.50 114.38 116.63 2off h ARG 532 Ca 0.31 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 2off h ARG 532 Cb 0.46 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2off h ARG 532 CO -0.40 0.92 -0.36 -0.44 -1.51 0.00 0.00 179.97 178.18 2off h ASP 533 N 1.07 0.73 -0.24 -3.80 3.32 -0.45 -1.06 116.42 115.98 2off h ASP 533 Ca 0.24 -0.51 0.03 0.00 0.02 0.00 0.00 57.03 56.80 2off h ASP 533 Cb 0.25 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2off h ASP 533 CO -0.01 1.10 0.08 0.58 -1.72 0.00 0.00 179.24 179.27 2off h VAL 534 N 0.38 0.93 -0.10 -1.35 2.07 -1.01 0.30 116.25 117.47 2off h VAL 534 Ca 0.02 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 2off h VAL 534 Cb 0.94 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2off h VAL 534 CO 0.08 0.03 -0.35 0.00 0.02 0.00 0.00 177.57 177.35 2off h ALA 535 N 1.15 1.22 -0.21 1.67 0.00 -1.46 -2.39 119.26 119.25 2off h ALA 535 Ca 0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2off h ALA 535 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2off h ALA 535 CO -0.11 0.53 0.01 -0.22 0.00 0.00 0.00 179.25 179.45 2off h LYS 536 N 0.18 0.37 -0.31 0.00 3.64 -0.80 -2.32 116.57 117.32 2off h LYS 536 Ca 0.02 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2off h LYS 536 Cb 0.71 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2off h LYS 536 CO 0.05 0.56 0.18 0.28 -2.27 0.00 0.00 179.45 178.25 2off h VAL 537 N 0.14 1.03 -0.16 2.00 2.07 -0.77 -1.72 116.25 118.84 2off h VAL 537 Ca 0.06 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2off h VAL 537 Cb 0.39 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2off h VAL 537 CO 0.01 0.07 -0.06 0.50 0.02 0.00 0.00 177.57 178.11 2off h LYS 538 N 0.38 -0.03 -0.82 1.57 1.63 -1.45 -1.20 116.57 116.65 2off h LYS 538 Ca 0.12 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2off h LYS 538 Cb 0.00 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 2off h LYS 538 CO -0.06 -0.02 0.54 0.37 -3.45 0.00 0.00 179.45 176.83 2off h GLN 539 N -0.03 1.08 -0.67 1.90 5.75 -1.20 0.24 115.11 122.18 2off h GLN 539 Ca 0.08 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 2off h GLN 539 Cb 0.16 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 2off h GLN 539 CO -0.19 0.72 0.40 0.93 -2.65 0.00 0.00 178.83 178.04 2off h GLU 540 N 1.11 0.75 -0.77 1.69 5.08 -1.02 -0.47 114.58 120.94 2off h GLU 540 Ca 0.30 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2off h GLU 540 Cb -0.12 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 28.92 2off h GLU 540 CO -0.06 0.49 0.32 -0.91 -1.00 0.00 0.00 179.01 177.85 2off h ASN 541 N 0.77 1.06 -0.23 1.42 2.35 -0.18 -1.58 115.58 119.19 2off h ASN 541 Ca 0.28 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 2off h ASN 541 Cb 0.07 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2off h ASN 541 CO -0.13 0.93 -0.30 0.11 -1.65 0.00 0.00 177.43 176.39 2off h LYS 542 N 1.11 0.73 -0.40 0.81 1.57 -0.66 -1.69 116.57 118.04 2off h LYS 542 Ca 0.26 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2off h LYS 542 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2off h LYS 542 CO -0.02 0.94 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.70 2off h LEU 543 N 0.62 0.72 -0.73 2.94 3.38 -0.91 -1.00 115.31 120.33 2off h LEU 543 Ca 0.07 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 2off h LEU 543 Cb 0.82 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2off h LEU 543 CO 0.07 0.87 -0.02 0.50 0.09 0.00 0.00 178.44 179.95 2off h LYS 544 N 0.55 0.94 -0.16 1.13 3.64 -1.22 -1.83 116.57 119.62 2off h LYS 544 Ca 0.11 -0.29 -0.20 0.00 -1.27 0.00 0.00 60.65 59.00 2off h LYS 544 Cb 0.52 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2off h LYS 544 CO 0.03 0.95 -0.69 0.35 -2.27 0.00 0.00 179.45 177.81 2off h PHE 545 N 0.87 0.88 -0.57 1.91 3.57 -1.27 -1.69 116.94 120.63 2off h PHE 545 Ca 0.16 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 2off h PHE 545 Cb 0.54 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2off h PHE 545 CO 0.03 1.16 0.32 0.00 -2.23 0.00 0.00 178.31 177.59 2off h ALA 546 N 0.75 1.48 -0.30 2.41 0.00 -1.07 -1.66 119.26 120.88 2off h ALA 546 Ca -0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2off h ALA 546 Cb 1.29 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2off h ALA 546 CO 0.14 0.43 -0.39 0.00 0.00 0.00 0.00 179.25 179.43 2off h ALA 547 N 1.56 0.45 -1.00 0.00 0.00 -1.27 -3.04 119.26 115.96 2off h ALA 547 Ca 0.20 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2off h ALA 547 Cb 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2off h ALA 547 CO -0.03 0.54 0.65 -0.92 0.00 0.00 0.00 179.25 179.48 2off h TYR 548 N 0.55 1.20 -0.58 0.00 5.03 -0.85 -1.55 116.97 120.77 2off h TYR 548 Ca 0.04 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.32 2off h TYR 548 Cb 0.98 -0.39 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 2off h TYR 548 CO 0.07 0.63 0.14 -0.07 -1.32 0.00 0.00 178.16 177.62 2off h LEU 549 N 1.18 0.88 -0.46 2.82 3.38 -1.30 -1.80 115.31 120.01 2off h LEU 549 Ca 0.43 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 2off h LEU 549 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2off h LEU 549 CO -0.17 0.89 -0.14 -0.33 0.09 0.00 0.00 178.44 178.78 2off h GLU 550 N 0.84 0.91 0.60 1.13 5.08 -1.35 -1.10 114.58 120.68 2off h GLU 550 Ca 0.18 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2off h GLU 550 Cb 0.35 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2off h GLU 550 CO 0.00 1.02 -0.29 0.00 -1.00 0.00 0.00 179.01 178.74 2off h ARG 551 N 0.75 -0.77 0.00 2.33 3.08 -1.21 -1.91 114.38 116.64 2off h ARG 551 Ca 0.11 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2off h ARG 551 Cb 0.70 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 2off h ARG 551 CO 0.05 -0.46 -0.48 0.93 -1.07 0.00 0.00 179.97 178.94 2off h GLU 552 N -1.09 0.00 0.00 0.04 3.07 -1.44 -3.39 114.58 111.78 2off h GLU 552 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2off h GLU 552 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2off h GLU 552 CO 0.13 0.08 0.00 0.66 -1.40 0.00 0.00 179.01 178.49 2off n TYR 553 N -2.97 0.00 -4.16 4.33 4.01 -0.49 -5.05 117.16 112.83 2off n TYR 553 Ca 0.02 -0.06 -0.31 0.00 -0.16 0.00 0.00 57.90 57.38 2off n TYR 553 Cb 0.58 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.56 2off n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2off n LYS 554 N -0.06 -2.56 -5.25 -0.72 4.76 -0.72 -4.90 118.16 108.71 2off n LYS 554 Ca 0.00 0.31 -0.31 0.00 -2.87 0.00 0.00 58.31 55.43 2off n LYS 554 Cb 0.40 -4.52 -0.17 0.00 -1.84 0.00 0.00 35.03 28.90 2off n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2off s VAL 555 N -3.78 2.03 -0.19 -0.18 -7.23 -1.17 -4.95 120.40 104.92 2off s VAL 555 Ca 0.30 -1.05 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 2off s VAL 555 Cb -0.17 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2off s VAL 555 CO 0.94 0.56 0.17 -1.00 -0.31 0.00 0.00 175.10 175.46 2off s HIS 556 N -0.10 3.42 0.05 2.82 0.09 -1.26 -3.47 115.29 116.84 2off s HIS 556 Ca -0.05 0.38 0.01 0.00 -0.00 0.00 0.00 55.06 55.40 2off s HIS 556 Cb -0.14 -2.20 -0.03 0.00 -0.00 0.00 0.00 32.58 30.21 2off s HIS 556 CO 0.04 0.27 -0.06 0.96 -0.00 0.00 0.00 174.74 175.95 2off s ILE 557 N 0.42 0.45 -0.38 0.60 -4.36 -1.26 -5.11 121.20 111.56 2off s ILE 557 Ca 0.10 -1.25 -0.26 0.00 -0.26 0.00 0.00 60.65 58.98 2off s ILE 557 Cb -0.12 -0.79 0.02 0.00 1.25 0.00 0.00 42.46 42.82 2off s ILE 557 CO -0.01 -0.54 0.94 0.21 0.24 0.00 0.00 174.94 175.78 2off s ASN 558 N -1.91 6.67 0.00 4.36 2.47 -1.26 -4.94 114.94 120.33 2off s ASN 558 Ca -0.06 0.55 0.20 0.00 0.42 0.00 0.00 52.86 53.97 2off s ASN 558 Cb -0.06 -2.47 1.03 0.00 -1.45 0.00 0.00 41.25 38.30 2off s ASN 558 CO -0.02 -0.89 1.60 -2.65 -3.72 0.00 0.00 177.10 171.42 2off n PRO 559 N 6.85 0.36 0.00 0.43 -0.02 -1.26 -2.47 135.00 138.90 2off n PRO 559 Ca 0.07 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 2off n PRO 559 Cb 0.48 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.52 2off n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2off n ASN 560 N -1.21 1.42 -4.84 2.55 4.13 -1.26 -4.86 115.26 111.19 2off n ASN 560 Ca 0.11 -1.14 -0.30 0.00 1.68 0.00 0.00 54.58 54.92 2off n ASN 560 Cb 0.13 0.54 0.06 0.00 -1.54 0.00 0.00 39.78 38.97 2off n ASN 560 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2off s SER 561 N -2.68 5.26 -0.06 6.41 1.04 -1.03 -4.95 113.70 117.69 2off s SER 561 Ca 0.16 1.38 -0.30 0.00 0.48 0.00 0.00 55.95 57.67 2off s SER 561 Cb 0.18 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 2off s SER 561 CO 0.66 -1.49 1.34 -0.22 0.98 0.00 0.00 173.24 174.51 2off s LEU 562 N -5.52 4.27 -0.64 2.42 0.20 -0.15 -4.77 118.68 114.50 2off s LEU 562 Ca 0.58 1.94 -0.25 0.00 0.69 0.00 0.00 54.13 57.09 2off s LEU 562 Cb -0.13 -3.55 0.04 0.00 -0.43 0.00 0.00 46.19 42.12 2off s LEU 562 CO 0.54 -0.71 1.08 -0.36 -0.29 0.00 0.00 176.35 176.61 2off s PHE 563 N 2.77 2.58 -0.44 5.38 2.99 -1.26 -0.84 117.98 129.17 2off s PHE 563 Ca 0.60 -0.12 -0.13 0.00 0.00 0.00 0.00 56.93 57.28 2off s PHE 563 Cb -0.27 -4.36 0.06 0.00 0.00 0.00 0.00 43.02 38.45 2off s PHE 563 CO 0.23 -1.68 0.33 0.34 -0.00 0.00 0.00 175.22 174.43 2off s ASP 564 N 3.36 5.98 -0.05 1.36 3.68 0.26 -1.66 116.67 129.59 2off s ASP 564 Ca 0.31 -1.27 0.03 0.00 2.13 0.00 0.00 52.55 53.76 2off s ASP 564 Cb -0.12 -2.12 0.00 0.00 -1.45 0.00 0.00 42.92 39.24 2off s ASP 564 CO 0.16 -0.56 -0.15 0.54 0.13 0.00 0.00 175.17 175.29 2off s VAL 565 N 1.59 1.30 -0.28 1.11 0.11 -0.58 0.03 120.40 123.67 2off s VAL 565 Ca 0.04 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.49 2off s VAL 565 Cb -0.23 -1.15 0.08 0.00 -1.53 0.00 0.00 36.38 33.56 2off s VAL 565 CO 0.06 0.39 -0.00 -1.58 -3.33 0.00 0.00 175.10 170.63 2off s GLN 566 N 0.32 1.53 -0.11 1.54 0.74 -0.31 -1.71 119.66 121.67 2off s GLN 566 Ca -0.09 -1.35 0.02 0.00 0.05 0.00 0.00 55.36 53.99 2off s GLN 566 Cb -0.13 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.25 2off s GLN 566 CO 0.03 -0.77 -0.15 0.14 -0.55 0.00 0.00 175.29 174.00 2off s VAL 567 N 1.22 1.46 0.00 1.34 -7.23 -1.26 -1.82 120.40 114.12 2off s VAL 567 Ca 0.02 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 2off s VAL 567 Cb -0.19 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2off s VAL 567 CO -0.10 0.43 0.00 2.29 -0.31 0.00 0.00 175.10 177.42 2off n LYS 568 N 4.22 0.00 -1.73 4.82 2.85 -0.98 -4.98 118.16 122.35 2off n LYS 568 Ca -0.19 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.69 2off n LYS 568 Cb 0.51 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.94 2off n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2off n ARG 569 N -0.45 1.56 -2.60 -1.58 5.12 -1.26 -3.93 116.66 113.52 2off n ARG 569 Ca 0.00 0.58 -0.43 0.00 -1.93 0.00 0.00 57.85 56.07 2off n ARG 569 Cb 0.00 -2.55 -0.02 0.00 -1.16 0.00 0.00 32.46 28.73 2off n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2off s ILE 570 N -1.31 4.51 -0.02 0.55 -1.09 -0.47 -4.90 121.20 118.46 2off s ILE 570 Ca 0.74 1.77 -0.11 0.00 -2.23 0.00 0.00 60.65 60.82 2off s ILE 570 Cb -0.41 -4.31 0.01 0.00 -1.58 0.00 0.00 42.46 36.17 2off s ILE 570 CO 0.47 -0.34 0.23 -1.00 -1.23 0.00 0.00 174.94 173.08 2off s HIS 571 N 3.55 -0.10 0.24 3.97 3.76 -1.26 -4.71 115.29 120.73 2off s HIS 571 Ca 0.47 0.15 -0.07 0.00 -0.15 0.00 0.00 55.06 55.47 2off s HIS 571 Cb -0.15 0.04 0.27 0.00 1.11 0.00 0.00 32.58 33.85 2off s HIS 571 CO 0.13 -0.32 1.89 0.93 -0.85 0.00 0.00 174.74 176.52 2off h GLU 572 N 4.27 1.10 0.00 1.40 5.08 -1.96 -2.95 114.58 121.52 2off h GLU 572 Ca -0.30 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2off h GLU 572 Cb 1.19 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2off h GLU 572 CO 0.40 0.72 -0.25 0.10 -1.00 0.00 0.00 179.01 178.98 2off h TYR 573 N 1.13 0.00 0.00 4.33 -0.00 -1.97 -2.18 116.97 118.27 2off h TYR 573 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.08 2off h TYR 573 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.72 2off h TYR 573 CO -0.02 0.25 0.00 1.63 -0.00 0.00 0.00 178.16 180.02 2off n LYS 574 N -4.07 0.20 -3.58 0.10 5.02 -1.12 -3.11 118.16 111.61 2off n LYS 574 Ca -0.02 0.19 -0.21 0.00 -2.02 0.00 0.00 58.31 56.25 2off n LYS 574 Cb 0.31 -1.75 0.07 0.00 -0.02 0.00 0.00 35.03 33.64 2off n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2off n ARG 575 N -2.11 -6.54 -0.04 1.97 1.74 -0.82 -3.92 116.66 106.95 2off n ARG 575 Ca 0.06 0.77 0.23 0.00 -0.77 0.00 0.00 57.85 58.14 2off n ARG 575 Cb 0.39 -5.70 0.72 0.00 -1.02 0.00 0.00 32.46 26.85 2off n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2off h GLN 576 N -2.13 0.00 -0.67 5.56 7.50 -1.85 -1.53 115.11 121.99 2off h GLN 576 Ca -0.59 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.52 2off h GLN 576 Cb 1.36 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.85 2off h GLN 576 CO 0.55 0.00 0.24 -0.07 -1.50 0.00 0.00 178.83 178.04 2off h LEU 577 N 0.00 0.93 -0.55 1.46 3.38 -1.90 -1.21 115.31 117.42 2off h LEU 577 Ca 0.30 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2off h LEU 577 Cb 1.26 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2off h LEU 577 CO -0.00 0.85 0.33 0.25 0.09 0.00 0.00 178.44 179.96 2off h LEU 578 N 0.98 0.54 -0.53 1.67 5.85 -1.65 -1.75 115.31 120.42 2off h LEU 578 Ca 0.22 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.02 2off h LEU 578 Cb 0.24 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2off h LEU 578 CO -0.01 0.38 0.20 -1.13 -0.34 0.00 0.00 178.44 177.54 2off h ASN 579 N 0.66 0.21 -0.96 1.25 -0.00 -1.40 -2.35 115.58 112.99 2off h ASN 579 Ca 0.22 0.06 0.06 0.00 -0.00 0.00 0.00 56.30 56.64 2off h ASN 579 Cb 0.02 0.04 -0.06 0.00 -0.00 0.00 0.00 38.32 38.32 2off h ASN 579 CO -0.09 0.14 0.62 0.00 -0.00 0.00 0.00 177.43 178.10 2off h LEU 581 N 1.14 0.87 -0.30 0.00 3.38 -0.83 -2.03 115.31 117.54 2off h LEU 581 Ca 0.40 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2off h LEU 581 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2off h LEU 581 CO -0.15 1.02 0.06 -0.74 0.09 0.00 0.00 178.44 178.73 2off h HIS 582 N 0.77 0.52 -0.34 1.13 2.76 -0.93 -1.64 115.15 117.41 2off h HIS 582 Ca 0.12 -0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.28 2off h HIS 582 Cb 0.67 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.44 2off h HIS 582 CO 0.04 0.56 0.02 0.28 -1.30 0.00 0.00 177.93 177.53 2off h VAL 583 N 0.32 0.77 -0.53 5.26 2.07 -1.07 -1.11 116.25 121.97 2off h VAL 583 Ca 0.09 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 2off h VAL 583 Cb 0.31 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2off h VAL 583 CO 0.00 0.02 0.14 0.40 0.02 0.00 0.00 177.57 178.16 2off h ILE 584 N 0.13 1.22 -0.51 4.57 2.04 -1.35 -1.61 117.51 121.99 2off h ILE 584 Ca 0.17 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.26 2off h ILE 584 Cb 0.21 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2off h ILE 584 CO -0.26 0.29 0.33 0.74 0.00 0.00 0.00 178.15 179.26 2off h THR 585 N 0.77 1.12 -0.47 -0.27 2.02 -0.56 -0.15 112.91 115.36 2off h THR 585 Ca 0.17 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 2off h THR 585 Cb 0.27 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2off h THR 585 CO -0.00 0.12 0.17 -0.07 0.37 0.00 0.00 175.52 176.11 2off h LEU 586 N 0.68 0.67 -0.13 2.58 4.07 -0.85 -0.90 115.31 121.42 2off h LEU 586 Ca 0.19 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2off h LEU 586 Cb -0.06 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 2off h LEU 586 CO -0.05 0.68 0.09 0.22 -1.08 0.00 0.00 178.44 178.30 2off h TYR 587 N 0.63 0.17 -0.33 1.13 5.03 -1.07 -1.24 116.97 121.28 2off h TYR 587 Ca 0.16 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.41 2off h TYR 587 Cb 0.23 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 2off h TYR 587 CO 0.01 0.11 -0.03 -0.91 -1.32 0.00 0.00 178.16 176.02 2off h ASN 588 N 0.17 0.49 -0.59 -2.11 2.35 -0.92 -1.41 115.58 113.57 2off h ASN 588 Ca 0.05 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 2off h ASN 588 Cb -0.01 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2off h ASN 588 CO -0.01 0.58 0.02 0.03 -1.65 0.00 0.00 177.43 176.40 2off h ARG 589 N 0.50 1.03 -0.21 0.81 3.08 -0.91 -2.04 114.38 116.64 2off h ARG 589 Ca 0.10 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 2off h ARG 589 Cb 0.37 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2off h ARG 589 CO 0.01 1.01 0.06 0.82 -1.07 0.00 0.00 179.97 180.80 2off h ILE 590 N 0.93 1.20 -0.45 2.04 2.04 -0.90 -1.92 117.51 120.46 2off h ILE 590 Ca 0.17 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.41 2off h ILE 590 Cb 0.53 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2off h ILE 590 CO 0.03 0.20 0.30 0.11 0.00 0.00 0.00 178.15 178.78 2off h LYS 591 N 0.16 0.55 -0.16 2.37 1.79 -1.22 -1.34 116.57 118.72 2off h LYS 591 Ca 0.07 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.28 2off h LYS 591 Cb 0.25 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2off h LYS 591 CO -0.00 0.36 -0.76 -0.22 -1.08 0.00 0.00 179.45 177.75 2off h LYS 592 N 0.56 0.79 -2.36 3.15 3.64 -1.22 -3.39 116.57 117.76 2off h LYS 592 Ca 0.17 -0.64 -0.59 0.00 -1.27 0.00 0.00 60.65 58.32 2off h LYS 592 Cb -0.00 0.13 -0.40 0.00 -0.41 0.00 0.00 32.23 31.55 2off h LYS 592 CO -0.04 1.25 -0.84 0.39 -2.27 0.00 0.00 179.45 177.94 2off n GLU 593 N -3.96 1.25 0.06 1.90 1.02 -0.73 -5.00 120.64 115.18 2off n GLU 593 Ca -0.07 -3.82 0.01 0.00 -0.02 0.00 0.00 57.16 53.25 2off n GLU 593 Cb 0.74 -1.80 0.33 0.00 -0.02 0.00 0.00 31.44 30.69 2off n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2off h PRO 594 N 4.73 0.38 -0.62 3.49 0.11 -1.46 -2.79 132.00 135.84 2off h PRO 594 Ca 0.17 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2off h PRO 594 Cb 0.81 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2off h PRO 594 CO 0.58 0.49 0.00 0.09 -0.21 0.00 0.00 178.00 178.95 2off n ASN 595 N -4.25 3.76 -4.85 -2.05 4.13 -1.26 -4.86 115.26 105.88 2off n ASN 595 Ca 0.00 -2.31 -0.36 0.00 1.68 0.00 0.00 54.58 53.59 2off n ASN 595 Cb 0.28 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 37.97 2off n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2off s LYS 596 N -1.72 3.85 0.15 3.52 2.36 -1.05 -5.07 119.74 121.78 2off s LYS 596 Ca 0.40 0.31 -0.30 0.00 -2.55 0.00 0.00 55.97 53.83 2off s LYS 596 Cb 0.25 -3.11 -0.07 0.00 -1.05 0.00 0.00 37.83 33.85 2off s LYS 596 CO 0.20 0.63 1.00 0.12 1.55 0.00 0.00 175.35 178.85 2off s PHE 597 N -1.23 3.77 0.01 4.03 5.36 -1.26 -5.06 117.98 123.60 2off s PHE 597 Ca 0.28 1.75 0.02 0.00 -0.96 0.00 0.00 56.93 58.03 2off s PHE 597 Cb -0.15 -3.12 -0.01 0.00 -0.34 0.00 0.00 43.02 39.40 2off s PHE 597 CO 0.15 -0.02 -0.08 0.14 -1.46 0.00 0.00 175.22 173.95 2off s VAL 598 N -0.24 0.60 0.09 3.12 -7.23 -1.26 -5.12 120.40 110.36 2off s VAL 598 Ca 0.47 -0.57 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 2off s VAL 598 Cb -0.26 -0.55 -0.11 0.00 0.56 0.00 0.00 36.38 36.03 2off s VAL 598 CO 0.32 -0.00 1.87 0.52 -0.31 0.00 0.00 175.10 177.49 2off n VAL 599 N 2.43 0.47 -2.52 1.32 0.31 -1.26 -4.95 118.33 114.13 2off n VAL 599 Ca -0.16 -0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 63.70 2off n VAL 599 Cb 0.57 -2.13 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 2off n VAL 599 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2off s PRO 600 N 3.19 4.37 0.02 5.55 0.05 -1.26 -4.95 135.00 141.96 2off s PRO 600 Ca 0.84 1.63 0.04 0.00 0.05 0.00 0.00 61.00 63.56 2off s PRO 600 Cb -0.50 -2.82 -0.02 0.00 0.05 0.00 0.00 34.50 31.22 2off s PRO 600 CO 0.40 0.02 -0.13 1.03 0.05 0.00 0.00 177.00 178.36 2off s ARG 601 N -2.04 0.95 -0.31 4.56 0.52 -0.56 -0.97 118.95 121.09 2off s ARG 601 Ca 0.52 -0.65 -0.07 0.00 -0.52 0.00 0.00 55.73 55.01 2off s ARG 601 Cb -0.26 -0.94 0.02 0.00 0.52 0.00 0.00 34.95 34.29 2off s ARG 601 CO 0.33 0.24 0.09 0.99 0.02 0.00 0.00 175.30 176.97 2off s THR 602 N -0.67 3.87 -0.31 0.02 2.01 -0.02 -2.19 115.64 118.36 2off s THR 602 Ca 0.02 -0.87 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 2off s THR 602 Cb -0.07 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2off s THR 602 CO 0.01 -0.02 0.43 -0.69 -0.69 0.00 0.00 174.62 173.66 2off s VAL 603 N 1.46 5.11 -0.16 3.82 1.01 0.58 -0.57 120.40 131.64 2off s VAL 603 Ca 0.01 0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 2off s VAL 603 Cb -0.18 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 2off s VAL 603 CO 0.02 -0.04 -0.14 -0.04 0.00 0.00 0.00 175.10 174.91 2off s MET 604 N 2.20 3.23 -0.04 2.72 -1.94 0.10 -0.92 119.30 124.65 2off s MET 604 Ca 0.16 -0.74 0.05 0.00 -1.71 0.00 0.00 55.69 53.45 2off s MET 604 Cb -0.16 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.01 2off s MET 604 CO 0.11 -0.01 -0.17 0.42 -0.01 0.00 0.00 175.02 175.36 2off s ILE 605 N 0.88 1.43 0.04 2.53 1.01 -0.58 -1.16 121.20 125.35 2off s ILE 605 Ca -0.04 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 2off s ILE 605 Cb -0.15 -1.22 0.04 0.00 0.01 0.00 0.00 42.46 41.13 2off s ILE 605 CO -0.01 0.41 0.41 -0.83 0.00 0.00 0.00 174.94 174.92 2off s GLY 606 N -0.07 -0.27 0.00 6.18 0.00 -0.75 -0.07 107.32 112.33 2off s GLY 606 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2off s GLY 606 CO 0.02 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.79 2off n GLY 607 N 0.56 3.89 3.87 0.20 0.00 -1.25 -2.31 105.19 110.15 2off n GLY 607 Ca -0.19 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 2off n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2off s LYS 608 N -2.65 3.78 -0.12 1.61 1.02 -1.26 -4.64 119.74 117.48 2off s LYS 608 Ca 0.00 0.20 -0.06 0.00 0.02 0.00 0.00 55.97 56.13 2off s LYS 608 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2off s LYS 608 CO 0.00 0.48 0.08 0.00 -0.92 0.00 0.00 175.35 174.99 2off s ALA 609 N -1.54 3.60 0.25 5.17 0.00 -1.26 -1.37 121.76 126.60 2off s ALA 609 Ca 0.38 -0.71 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 2off s ALA 609 Cb -0.13 -1.82 -0.12 0.00 0.00 0.00 0.00 23.12 21.05 2off s ALA 609 CO 0.20 0.51 1.60 0.00 0.00 0.00 0.00 175.76 178.07 2off n ALA 610 N 2.39 2.28 -0.19 0.00 0.00 -1.26 -4.87 120.51 118.84 2off n ALA 610 Ca -0.19 0.39 0.25 0.00 0.00 0.00 0.00 53.44 53.90 2off n ALA 610 Cb 0.54 -2.44 0.66 0.00 0.00 0.00 0.00 19.45 18.21 2off n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2off h PRO 611 N 5.36 0.12 -0.04 0.00 0.11 -1.99 -0.64 132.00 134.93 2off h PRO 611 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2off h PRO 611 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2off h PRO 611 CO 0.84 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 2off n GLY 612 N -1.65 0.44 3.43 -0.55 0.00 -1.26 -4.78 105.19 100.82 2off n GLY 612 Ca 0.19 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 2off n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2off s TYR 613 N -1.98 3.28 0.12 1.61 6.04 -0.25 -4.90 117.35 121.28 2off s TYR 613 Ca 0.34 -1.57 -0.21 0.00 0.04 0.00 0.00 57.07 55.67 2off s TYR 613 Cb 0.21 -4.19 -0.04 0.00 -1.04 0.00 0.00 41.96 36.89 2off s TYR 613 CO 0.32 -1.38 1.70 1.25 -1.54 0.00 0.00 175.55 175.90 2off h HIS 614 N 8.51 -0.15 -0.74 4.97 -0.00 -1.86 -2.28 115.15 123.60 2off h HIS 614 Ca 0.16 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 2off h HIS 614 Cb 1.02 0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 28.48 2off h HIS 614 CO 1.13 -0.11 0.44 1.98 -0.00 0.00 0.00 177.93 181.37 2off h MET 615 N -0.05 1.01 -0.29 5.26 1.85 -1.97 -1.21 114.93 119.53 2off h MET 615 Ca 0.08 -0.09 -0.07 0.00 -0.61 0.00 0.00 59.70 59.01 2off h MET 615 Cb 0.17 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 2off h MET 615 CO -0.18 0.72 -0.11 0.00 -0.40 0.00 0.00 176.91 176.94 2off h ALA 616 N 1.45 1.26 -0.14 0.39 0.00 -1.83 -1.79 119.26 118.60 2off h ALA 616 Ca 0.27 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2off h ALA 616 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2off h ALA 616 CO -0.05 0.49 -0.53 0.87 0.00 0.00 0.00 179.25 180.02 2off h LYS 617 N 0.46 0.42 -0.26 0.00 1.57 -0.75 -2.86 116.57 115.14 2off h LYS 617 Ca 0.09 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 2off h LYS 617 Cb 0.47 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2off h LYS 617 CO 0.03 0.85 -0.25 0.52 -0.57 0.00 0.00 179.45 180.03 2off h MET 618 N 0.32 0.50 -0.54 3.15 2.86 -0.97 -2.81 114.93 117.46 2off h MET 618 Ca 0.01 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 2off h MET 618 Cb 1.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 2off h MET 618 CO 0.09 0.71 0.13 0.82 1.06 0.00 0.00 176.91 179.73 2off h ILE 619 N 0.45 1.24 -0.33 -1.22 2.04 -1.20 -0.98 117.51 117.51 2off h ILE 619 Ca 0.07 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.09 2off h ILE 619 Cb 0.67 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2off h ILE 619 CO 0.05 0.32 0.14 0.40 0.00 0.00 0.00 178.15 179.05 2off h ILE 620 N 0.76 0.94 -0.79 -0.67 2.04 -1.46 -1.51 117.51 116.81 2off h ILE 620 Ca 0.17 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2off h ILE 620 Cb 0.34 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 2off h ILE 620 CO 0.00 0.05 0.51 0.50 0.00 0.00 0.00 178.15 179.21 2off h LYS 621 N 0.29 1.05 -0.20 2.37 1.63 -1.23 -2.13 116.57 118.35 2off h LYS 621 Ca 0.15 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2off h LYS 621 Cb 0.10 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 2off h LYS 621 CO -0.13 0.71 0.05 1.25 -3.45 0.00 0.00 179.45 177.89 2off h LEU 622 N 1.08 0.04 -0.10 5.20 6.46 -0.95 -0.73 115.31 126.31 2off h LEU 622 Ca 0.29 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 58.11 2off h LEU 622 Cb -0.10 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 2off h LEU 622 CO -0.06 0.05 -0.17 0.40 -0.62 0.00 0.00 178.44 178.05 2off h ILE 623 N 0.14 0.57 -0.43 4.05 2.04 -0.82 0.11 117.51 123.17 2off h ILE 623 Ca 0.09 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 2off h ILE 623 Cb 0.07 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2off h ILE 623 CO -0.11 0.00 0.02 0.71 0.00 0.00 0.00 178.15 178.77 2off h THR 624 N -0.22 1.22 -0.59 -0.27 1.35 -1.30 -1.38 112.91 111.71 2off h THR 624 Ca 0.09 -0.88 -0.08 0.00 -0.55 0.00 0.00 66.41 64.99 2off h THR 624 Cb 0.34 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2off h THR 624 CO -0.23 0.31 0.05 0.00 -0.25 0.00 0.00 175.52 175.40 2off h ALA 625 N 1.38 0.79 -0.27 6.62 0.00 -0.51 0.83 119.26 128.10 2off h ALA 625 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2off h ALA 625 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2off h ALA 625 CO 0.01 0.58 0.13 0.82 0.00 0.00 0.00 179.25 180.79 2off h ILE 626 N 0.91 0.99 -1.00 0.00 2.04 -0.49 -2.71 117.51 117.25 2off h ILE 626 Ca 0.17 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 66.04 2off h ILE 626 Cb 0.48 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 2off h ILE 626 CO 0.02 0.05 0.63 1.23 0.00 0.00 0.00 178.15 180.08 2off h GLY 627 N 0.28 1.60 1.59 5.37 0.00 -0.83 0.07 103.07 111.14 2off h GLY 627 Ca 0.11 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2off h GLY 627 CO -0.08 0.21 0.20 -0.55 0.00 0.00 0.00 176.54 176.33 2off h ASP 628 N 1.05 0.47 0.00 0.19 3.45 -0.53 -1.01 116.42 120.04 2off h ASP 628 Ca 0.47 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.81 2off h ASP 628 Cb 0.38 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 2off h ASP 628 CO -0.24 0.40 -0.53 0.58 -1.57 0.00 0.00 179.24 177.87 2off h VAL 629 N 0.54 1.16 0.14 -1.35 2.07 -1.22 -3.37 116.25 114.22 2off h VAL 629 Ca 0.14 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 2off h VAL 629 Cb 0.03 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2off h VAL 629 CO -0.02 0.39 -0.07 0.58 0.02 0.00 0.00 177.57 178.47 2off h VAL 630 N -1.00 0.91 0.00 2.57 2.07 -1.01 -2.99 116.25 116.80 2off h VAL 630 Ca -0.14 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2off h VAL 630 Cb 1.00 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2off h VAL 630 CO -0.08 0.04 0.00 0.59 0.02 0.00 0.00 177.57 178.14 2off n ASN 631 N -5.13 0.59 -0.10 0.57 3.02 -0.39 -2.66 115.26 111.16 2off n ASN 631 Ca -0.08 0.70 0.01 0.00 -0.03 0.00 0.00 54.58 55.17 2off n ASN 631 Cb 0.13 -0.80 0.02 0.00 -0.61 0.00 0.00 39.78 38.52 2off n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2off n HIS 632 N -2.21 0.07 -2.86 3.10 8.25 -1.19 -4.97 115.22 115.41 2off n HIS 632 Ca 0.01 -0.48 -0.42 0.00 -0.26 0.00 0.00 57.72 56.57 2off n HIS 632 Cb 0.14 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 2off n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2off s ASP 633 N -0.96 6.76 0.41 0.41 -1.08 -1.09 -4.95 116.67 116.17 2off s ASP 633 Ca 0.04 0.84 0.09 0.00 -0.52 0.00 0.00 52.55 52.99 2off s ASP 633 Cb 0.02 -2.44 0.85 0.00 -1.46 0.00 0.00 42.92 39.88 2off s ASP 633 CO 0.02 -0.65 1.99 -0.65 0.52 0.00 0.00 175.17 176.41 2off h PRO 634 N 8.00 0.35 -0.17 4.34 0.11 -1.93 -2.41 132.00 140.29 2off h PRO 634 Ca -0.23 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2off h PRO 634 Cb 1.09 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2off h PRO 634 CO 0.91 0.34 -0.26 0.28 -0.21 0.00 0.00 178.00 179.07 2off h VAL 635 N 0.34 1.25 -0.14 3.15 2.07 -1.97 -3.09 116.25 117.86 2off h VAL 635 Ca 0.08 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2off h VAL 635 Cb 0.17 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2off h VAL 635 CO -0.00 0.37 -0.02 0.58 0.02 0.00 0.00 177.57 178.52 2off h VAL 636 N 0.28 1.27 0.00 2.57 2.07 -1.77 -3.49 116.25 117.18 2off h VAL 636 Ca 0.04 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2off h VAL 636 Cb 0.61 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2off h VAL 636 CO 0.04 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.51 2off n GLY 637 N -0.19 1.35 1.68 2.17 0.00 -1.17 -2.85 105.19 106.17 2off n GLY 637 Ca -0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 2off n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2off n ASP 638 N 4.68 3.76 0.16 1.61 3.85 -1.26 -4.48 116.55 124.87 2off n ASP 638 Ca 0.00 -3.46 0.10 0.00 -0.71 0.00 0.00 54.79 50.72 2off n ASP 638 Cb 0.00 -0.71 0.08 0.00 -1.35 0.00 0.00 41.12 39.14 2off n ASP 638 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 2off h ARG 639 N 1.64 0.00 -2.40 0.11 3.08 -1.86 -3.44 114.38 111.52 2off h ARG 639 Ca 0.32 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.31 2off h ARG 639 Cb 2.17 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.97 2off h ARG 639 CO 0.67 0.07 -0.30 -1.17 -1.07 0.00 0.00 179.97 178.17 2off s LEU 640 N -5.94 -0.72 -0.02 3.04 2.96 -1.25 -1.50 118.68 115.25 2off s LEU 640 Ca 0.04 1.13 0.04 0.00 -0.22 0.00 0.00 54.13 55.11 2off s LEU 640 Cb 0.07 1.59 -0.01 0.00 0.50 0.00 0.00 46.19 48.34 2off s LEU 640 CO 0.73 -0.23 -0.15 -0.13 -1.32 0.00 0.00 176.35 175.25 2off s ARG 641 N 2.54 1.30 -0.22 1.98 1.81 -0.93 -4.66 118.95 120.77 2off s ARG 641 Ca -0.04 -0.52 0.02 0.00 -1.72 0.00 0.00 55.73 53.47 2off s ARG 641 Cb -0.11 -1.22 0.04 0.00 -0.45 0.00 0.00 34.95 33.21 2off s ARG 641 CO -0.14 0.28 -0.15 0.08 -0.68 0.00 0.00 175.30 174.69 2off s VAL 642 N -0.21 2.15 -0.08 3.52 1.01 -1.26 -0.31 120.40 125.22 2off s VAL 642 Ca 0.03 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.76 2off s VAL 642 Cb -0.07 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2off s VAL 642 CO 0.00 0.24 -0.23 -0.63 0.00 0.00 0.00 175.10 174.48 2off s ILE 643 N 1.20 1.93 -0.29 2.22 1.09 -0.10 -4.56 121.20 122.70 2off s ILE 643 Ca -0.02 -0.96 -0.18 0.00 -1.10 0.00 0.00 60.65 58.39 2off s ILE 643 Cb -0.17 -1.67 -0.02 0.00 -1.06 0.00 0.00 42.46 39.55 2off s ILE 643 CO -0.09 0.53 0.50 0.12 -0.10 0.00 0.00 174.94 175.91 2off s PHE 644 N 0.25 3.24 -0.57 3.97 2.19 -1.26 -1.53 117.98 124.26 2off s PHE 644 Ca -0.14 0.50 -0.28 0.00 0.33 0.00 0.00 56.93 57.33 2off s PHE 644 Cb -0.17 -2.76 0.03 0.00 -1.31 0.00 0.00 43.02 38.81 2off s PHE 644 CO 0.07 -0.35 1.21 -0.51 1.83 0.00 0.00 175.22 177.47 2off s LEU 645 N 2.32 3.45 0.40 6.12 1.02 0.90 -4.97 118.68 127.91 2off s LEU 645 Ca 0.20 0.13 -0.25 0.00 0.02 0.00 0.00 54.13 54.23 2off s LEU 645 Cb -0.16 -3.18 -0.08 0.00 0.02 0.00 0.00 46.19 42.79 2off s LEU 645 CO 0.10 -1.49 1.16 -0.70 0.02 0.00 0.00 176.35 175.44 2off s GLU 646 N 4.98 4.08 -1.33 1.70 2.12 -1.26 -4.02 118.70 124.97 2off s GLU 646 Ca 0.44 1.81 -0.04 0.00 0.36 0.00 0.00 54.97 57.53 2off s GLU 646 Cb -0.08 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.65 2off s GLU 646 CO 0.26 -0.29 0.94 -1.71 -0.54 0.00 0.00 175.26 173.92 2off n ASN 647 N 0.09 -3.18 -4.73 -1.70 5.15 -1.25 -4.91 115.26 104.72 2off n ASN 647 Ca 0.04 -0.69 -0.42 0.00 -0.60 0.00 0.00 54.58 52.91 2off n ASN 647 Cb 0.47 -4.56 -0.02 0.00 -0.53 0.00 0.00 39.78 35.14 2off n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2off s TYR 648 N -3.44 2.82 0.16 1.20 5.04 -1.26 -4.86 117.35 117.02 2off s TYR 648 Ca 0.24 0.54 -0.24 0.00 -2.44 0.00 0.00 57.07 55.18 2off s TYR 648 Cb -0.11 -4.11 0.07 0.00 0.35 0.00 0.00 41.96 38.15 2off s TYR 648 CO 0.77 -4.00 1.00 -0.98 -1.34 0.00 0.00 175.55 171.00 2off s ARG 649 N 0.38 1.24 0.17 4.97 1.70 -1.26 -4.71 118.95 121.43 2off s ARG 649 Ca 0.69 -0.73 -0.15 0.00 -0.47 0.00 0.00 55.73 55.08 2off s ARG 649 Cb -0.49 0.39 0.13 0.00 -0.57 0.00 0.00 34.95 34.41 2off s ARG 649 CO 0.40 -0.57 1.72 0.28 -1.08 0.00 0.00 175.30 176.04 2off h VAL 650 N 2.00 0.76 -0.29 4.99 2.07 -1.96 -0.20 116.25 123.63 2off h VAL 650 Ca -0.26 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2off h VAL 650 Cb 1.23 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2off h VAL 650 CO 0.29 0.04 -0.07 0.77 0.02 0.00 0.00 177.57 178.62 2off h SER 651 N 0.20 0.44 -0.03 0.57 4.64 -1.97 -1.32 113.55 116.08 2off h SER 651 Ca 0.21 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 2off h SER 651 Cb 0.27 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2off h SER 651 CO -0.29 0.56 -0.50 0.25 -0.87 0.00 0.00 176.83 175.99 2off h LEU 652 N 0.44 0.65 -0.82 5.97 5.85 -1.72 -3.14 115.31 122.54 2off h LEU 652 Ca 0.09 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.49 2off h LEU 652 Cb 0.40 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2off h LEU 652 CO 0.02 1.04 0.54 0.00 -0.34 0.00 0.00 178.44 179.70 2off h ALA 653 N 0.98 1.04 0.00 1.25 0.00 -0.25 -0.37 119.26 121.91 2off h ALA 653 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2off h ALA 653 Cb 1.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2off h ALA 653 CO 0.10 0.43 -0.04 0.93 0.00 0.00 0.00 179.25 180.67 2off h GLU 654 N 1.10 0.00 0.02 0.00 5.08 -1.23 -1.85 114.58 117.71 2off h GLU 654 Ca 0.30 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.45 2off h GLU 654 Cb -0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2off h GLU 654 CO -0.07 0.04 -1.15 0.87 -1.00 0.00 0.00 179.01 177.70 2off h LYS 655 N 0.00 0.05 0.08 2.33 1.57 -1.31 -3.41 116.57 115.88 2off h LYS 655 Ca -0.00 -0.08 -0.25 0.00 -1.87 0.00 0.00 60.65 58.44 2off h LYS 655 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2off h LYS 655 CO 0.01 1.04 -1.13 -0.24 -0.57 0.00 0.00 179.45 178.55 2off h VAL 656 N -0.84 1.47 -0.10 0.50 3.04 -1.01 -3.35 116.25 115.96 2off h VAL 656 Ca -0.30 -2.84 0.00 0.00 -1.01 0.00 0.00 66.70 62.55 2off h VAL 656 Cb 1.37 2.76 -0.01 0.00 -2.01 0.00 0.00 31.29 33.40 2off h VAL 656 CO -0.13 0.84 0.06 0.40 -1.01 0.00 0.00 177.57 177.73 2off h ILE 657 N 0.12 1.02 0.00 3.17 2.04 -1.57 -2.25 117.51 120.04 2off h ILE 657 Ca -0.11 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2off h ILE 657 Cb 1.82 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2off h ILE 657 CO 0.19 0.02 0.00 -0.65 0.00 0.00 0.00 178.15 177.71 2off h PRO 658 N 0.13 0.00 -0.02 2.37 0.11 -1.79 -2.29 132.00 130.50 2off h PRO 658 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2off h PRO 658 Cb -0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2off h PRO 658 CO -0.01 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 177.77 2off n ALA 659 N -1.93 2.54 -2.01 -0.75 0.00 -0.87 -4.75 120.51 112.75 2off n ALA 659 Ca -0.01 -0.54 -0.38 0.00 0.00 0.00 0.00 53.44 52.51 2off n ALA 659 Cb 0.12 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 2off n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2off s ALA 660 N -2.01 3.43 -0.21 0.00 0.00 -0.87 -4.63 121.76 117.48 2off s ALA 660 Ca 0.34 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2off s ALA 660 Cb 0.21 -2.92 -0.21 0.00 0.00 0.00 0.00 23.12 20.20 2off s ALA 660 CO 0.33 0.30 0.01 -0.25 0.00 0.00 0.00 175.76 176.14 2off n ASP 661 N 1.29 1.50 -3.97 0.00 8.00 -0.82 -4.04 116.55 118.51 2off n ASP 661 Ca -0.04 -0.01 -0.25 0.00 0.71 0.00 0.00 54.79 55.20 2off n ASP 661 Cb 0.49 -0.16 -0.17 0.00 -0.02 0.00 0.00 41.12 41.27 2off n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2off s LEU 662 N -6.36 1.44 -0.26 0.64 0.20 -0.66 -0.48 118.68 113.20 2off s LEU 662 Ca -0.25 -0.28 -0.09 0.00 0.69 0.00 0.00 54.13 54.20 2off s LEU 662 Cb 0.08 -0.79 -0.04 0.00 -0.43 0.00 0.00 46.19 45.01 2off s LEU 662 CO 0.70 -0.03 0.12 -0.55 -0.29 0.00 0.00 176.35 176.30 2off s SER 663 N 1.07 5.50 -0.43 3.68 0.15 0.68 -1.53 113.70 122.82 2off s SER 663 Ca -0.07 -0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 2off s SER 663 Cb -0.14 -2.01 0.02 0.00 -1.71 0.00 0.00 66.02 62.18 2off s SER 663 CO -0.01 -0.04 0.62 -1.61 1.20 0.00 0.00 173.24 173.41 2off s GLU 664 N 1.66 3.30 -0.56 5.44 0.41 -0.69 -1.62 118.70 126.63 2off s GLU 664 Ca 0.07 -0.37 0.06 0.00 -0.41 0.00 0.00 54.97 54.31 2off s GLU 664 Cb -0.15 -3.94 0.22 0.00 -1.78 0.00 0.00 34.13 28.48 2off s GLU 664 CO 0.07 -0.97 0.57 1.04 -0.49 0.00 0.00 175.26 175.48 2off n GLN 665 N 6.19 1.57 -0.51 1.61 1.13 -0.39 -4.77 117.38 122.22 2off n GLN 665 Ca -0.02 -4.05 0.07 0.00 -1.94 0.00 0.00 57.00 51.06 2off n GLN 665 Cb 0.48 -1.92 0.19 0.00 0.11 0.00 0.00 30.24 29.11 2off n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2off n ILE 666 N 1.53 2.12 -1.73 5.09 -5.35 -1.26 -2.43 119.36 117.33 2off n ILE 666 Ca 0.25 -3.03 -0.38 0.00 -0.27 0.00 0.00 62.75 59.32 2off n ILE 666 Cb 0.44 -0.23 0.04 0.00 -1.74 0.00 0.00 39.64 38.16 2off n ILE 666 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2off n SER 667 N -1.16 2.48 -4.69 7.28 3.41 -1.25 -4.67 113.62 115.01 2off n SER 667 Ca 0.18 0.96 -0.44 0.00 -0.26 0.00 0.00 58.87 59.31 2off n SER 667 Cb 0.69 -1.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.05 2off n SER 667 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2off n THR 668 N -1.13 0.29 -1.63 6.66 -1.04 -1.18 -4.66 114.28 111.59 2off n THR 668 Ca 0.11 -0.07 -0.54 0.00 -2.04 0.00 0.00 64.05 61.51 2off n THR 668 Cb 0.45 -1.69 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 2off n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2off n ALA 669 N 3.13 -0.71 -0.06 2.41 0.00 -1.26 -1.97 120.51 122.05 2off n ALA 669 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2off n ALA 669 Cb 0.32 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2off n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2off n GLY 670 N 3.05 0.47 0.10 0.00 0.00 -1.26 -4.68 105.19 102.87 2off n GLY 670 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 2off n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2off n THR 671 N -2.00 1.16 -3.05 2.61 -2.24 -0.83 -4.85 114.28 105.08 2off n THR 671 Ca 0.00 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 2off n THR 671 Cb 0.00 -1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 67.15 2off n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2off s GLU 672 N -2.41 3.23 0.21 -0.78 2.56 -1.26 -4.74 118.70 115.52 2off s GLU 672 Ca -0.22 -0.55 -0.09 0.00 0.00 0.00 0.00 54.97 54.11 2off s GLU 672 Cb 0.06 -4.04 0.31 0.00 2.00 0.00 0.00 34.13 32.46 2off s GLU 672 CO 0.54 -1.24 1.71 0.00 -0.56 0.00 0.00 175.26 175.70 2off h ALA 673 N 9.05 0.73 0.00 6.30 0.00 -1.89 -2.89 119.26 130.57 2off h ALA 673 Ca -0.26 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2off h ALA 673 Cb 1.09 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2off h ALA 673 CO 0.98 -0.30 0.00 0.45 0.00 0.00 0.00 179.25 180.38 2off n SER 674 N -5.12 -0.15 0.00 0.00 2.88 -1.26 -4.16 113.62 105.80 2off n SER 674 Ca 0.09 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2off n SER 674 Cb 0.33 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 2off n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2off n GLY 675 N 1.52 -1.71 0.00 0.46 0.00 -1.26 -0.38 105.19 103.82 2off n GLY 675 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2off n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2off n THR 676 N -0.71 0.00 -0.35 2.61 -2.24 -1.26 -4.75 114.28 107.57 2off n THR 676 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2off n THR 676 Cb 0.00 -0.24 0.31 0.00 -2.10 0.00 0.00 70.33 68.30 2off n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2off h GLY 677 N 0.00 1.76 0.35 3.38 0.00 -1.96 -1.60 103.07 105.00 2off h GLY 677 Ca 0.00 -0.37 0.13 0.00 0.00 0.00 0.00 47.33 47.09 2off h GLY 677 CO 0.00 -0.02 0.48 3.45 0.00 0.00 0.00 176.54 180.45 2off h ASN 678 N 0.81 0.64 0.00 0.19 -0.00 -1.94 -2.32 115.58 112.96 2off h ASN 678 Ca 0.56 0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.94 2off h ASN 678 Cb 0.82 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.10 2off h ASN 678 CO -0.36 0.31 0.00 0.23 -0.00 0.00 0.00 177.43 177.61 2off n MET 679 N -4.79 0.51 0.00 4.14 2.81 -0.60 -2.27 117.12 116.91 2off n MET 679 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2off n MET 679 Cb 0.38 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 2off n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2off n PHE 681 N 0.76 0.00 -0.34 2.03 3.72 -0.87 -1.96 117.46 120.80 2off n PHE 681 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2off n PHE 681 Cb 0.26 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.88 2off n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2off h MET 682 N 0.00 1.26 0.00 -1.08 4.05 -1.67 -2.39 114.93 115.11 2off h MET 682 Ca 0.00 -0.14 -0.05 0.00 -0.28 0.00 0.00 59.70 59.22 2off h MET 682 Cb 0.00 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.54 2off h MET 682 CO 0.00 0.92 -0.25 1.25 0.23 0.00 0.00 176.91 179.06 2off h LEU 683 N 1.27 0.00 -3.01 3.39 5.85 -1.69 -3.26 115.31 117.86 2off h LEU 683 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2off h LEU 683 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2off h LEU 683 CO -0.05 0.25 0.00 0.59 -0.34 0.00 0.00 178.44 178.89 2off n ASN 684 N -3.41 3.99 0.00 1.25 3.02 -1.07 -4.92 115.26 114.12 2off n ASN 684 Ca 0.00 -2.31 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 2off n ASN 684 Cb 0.44 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2off n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2off n GLY 685 N 0.85 0.82 3.83 7.41 0.00 -1.13 -4.78 105.19 112.18 2off n GLY 685 Ca 0.21 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2off n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2off s ALA 686 N -2.00 3.74 0.39 4.61 0.00 -0.92 -4.79 121.76 122.78 2off s ALA 686 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2off s ALA 686 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2off s ALA 686 CO 0.00 0.78 0.66 -0.51 0.00 0.00 0.00 175.76 176.69 2off s LEU 687 N -2.38 3.87 -0.16 0.00 1.43 0.37 -4.43 118.68 117.38 2off s LEU 687 Ca 0.31 0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 54.17 2off s LEU 687 Cb -0.12 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 2off s LEU 687 CO 0.24 -0.38 -0.09 -0.89 0.23 0.00 0.00 176.35 175.45 2off s THR 688 N -2.41 3.25 -0.23 5.49 2.01 -1.26 -0.23 115.64 122.26 2off s THR 688 Ca 0.45 -0.57 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 2off s THR 688 Cb -0.10 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 2off s THR 688 CO 0.37 0.49 0.08 -0.51 -0.69 0.00 0.00 174.62 174.36 2off s ILE 689 N 0.65 4.56 0.14 1.82 2.07 -0.64 -1.08 121.20 128.72 2off s ILE 689 Ca -0.05 -0.10 -0.25 0.00 -1.41 0.00 0.00 60.65 58.84 2off s ILE 689 Cb -0.15 -3.11 0.07 0.00 0.13 0.00 0.00 42.46 39.40 2off s ILE 689 CO 0.02 0.37 0.91 -0.83 -1.91 0.00 0.00 174.94 173.51 2off s GLY 690 N 1.19 -0.28 0.50 1.50 0.00 -0.44 -1.26 107.32 108.54 2off s GLY 690 Ca 0.05 0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.98 2off s GLY 690 CO 0.04 0.06 0.80 -0.51 0.00 0.00 0.00 173.10 173.48 2off s THR 691 N -3.33 4.47 -1.12 0.90 -4.23 -1.02 -2.36 115.64 108.95 2off s THR 691 Ca 0.10 0.05 -0.19 0.00 -1.18 0.00 0.00 61.69 60.47 2off s THR 691 Cb -0.02 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 2off s THR 691 CO 0.00 -0.68 2.00 0.23 -0.54 0.00 0.00 174.62 175.63 2off n MET 692 N -2.32 2.17 -4.08 3.99 2.81 -1.26 -4.71 117.12 113.72 2off n MET 692 Ca 0.02 -2.37 -0.14 0.00 -1.81 0.00 0.00 57.70 53.40 2off n MET 692 Cb 0.56 -3.23 -0.12 0.00 -0.71 0.00 0.00 33.22 29.72 2off n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2off s ASP 693 N 4.55 0.80 0.67 7.83 3.68 -1.26 -4.66 116.67 128.28 2off s ASP 693 Ca 0.55 -0.46 0.00 0.00 2.13 0.00 0.00 52.55 54.78 2off s ASP 693 Cb 0.11 0.02 0.00 0.00 -1.45 0.00 0.00 42.92 41.59 2off s ASP 693 CO 0.05 -0.15 0.00 0.61 0.13 0.00 0.00 175.17 175.81 2off n GLY 694 N 1.77 2.40 0.00 2.66 0.00 -1.09 -1.62 105.19 109.31 2off n GLY 694 Ca -0.21 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.65 2off n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2off n ALA 695 N 7.72 2.18 -0.30 4.61 0.00 0.49 -3.16 120.51 132.06 2off n ALA 695 Ca 0.00 -0.10 0.16 0.00 0.00 0.00 0.00 53.44 53.50 2off n ALA 695 Cb 0.00 -1.41 0.41 0.00 0.00 0.00 0.00 19.45 18.46 2off n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2off h ASN 696 N 0.00 0.60 -0.41 0.00 2.35 -1.50 -0.29 115.58 116.34 2off h ASN 696 Ca 0.00 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2off h ASN 696 Cb 0.38 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2off h ASN 696 CO 0.00 0.23 0.27 0.58 -1.65 0.00 0.00 177.43 176.86 2off h VAL 697 N 0.60 1.10 -0.02 2.81 2.07 -1.64 -1.16 116.25 120.00 2off h VAL 697 Ca 0.52 -0.19 -0.20 0.00 0.82 0.00 0.00 66.70 67.66 2off h VAL 697 Cb 1.02 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2off h VAL 697 CO -0.27 0.10 -0.84 -0.33 0.02 0.00 0.00 177.57 176.25 2off h GLU 698 N 0.55 0.30 0.03 1.57 5.08 -1.57 -1.79 114.58 118.74 2off h GLU 698 Ca 0.15 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2off h GLU 698 Cb -0.06 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2off h GLU 698 CO -0.04 0.98 -0.04 0.52 -1.00 0.00 0.00 179.01 179.43 2off h MET 699 N 0.18 -0.09 -0.58 2.33 2.86 -0.91 -0.00 114.93 118.72 2off h MET 699 Ca -0.05 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2off h MET 699 Cb 1.45 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.10 2off h MET 699 CO 0.14 -0.06 0.29 0.00 1.06 0.00 0.00 176.91 178.34 2off h ALA 700 N 0.88 1.43 -0.34 6.32 0.00 -1.21 -0.78 119.26 125.57 2off h ALA 700 Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2off h ALA 700 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2off h ALA 700 CO -0.03 0.46 0.01 1.49 0.00 0.00 0.00 179.25 181.18 2off h GLU 701 N 0.80 0.59 -0.26 0.00 4.81 -1.07 0.13 114.58 119.59 2off h GLU 701 Ca 0.20 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2off h GLU 701 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2off h GLU 701 CO -0.03 0.70 0.09 0.93 -0.73 0.00 0.00 179.01 179.97 2off h GLU 702 N 0.40 0.39 0.00 1.92 4.39 -0.65 -3.26 114.58 117.77 2off h GLU 702 Ca 0.10 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 2off h GLU 702 Cb 0.43 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2off h GLU 702 CO 0.02 0.45 -0.76 0.00 -1.16 0.00 0.00 179.01 177.55 2off h ALA 703 N 0.92 0.66 0.00 3.43 0.00 -1.18 -3.46 119.26 119.62 2off h ALA 703 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2off h ALA 703 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2off h ALA 703 CO -0.00 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2off n GLY 704 N 1.27 1.02 0.38 0.00 0.00 0.43 -4.64 105.19 103.65 2off n GLY 704 Ca -0.01 -1.33 0.20 0.00 0.00 0.00 0.00 46.02 44.87 2off n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2off h GLU 705 N 0.00 0.07 0.00 1.61 5.08 -1.83 -0.03 114.58 119.47 2off h GLU 705 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2off h GLU 705 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2off h GLU 705 CO 0.00 0.04 0.00 0.93 -1.00 0.00 0.00 179.01 178.98 2off h GLU 706 N 0.07 0.00 -0.59 2.33 3.07 -1.89 -2.75 114.58 114.81 2off h GLU 706 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2off h GLU 706 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2off h GLU 706 CO -0.02 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.68 2off n ASN 707 N -2.99 5.64 -3.94 1.42 3.02 -0.03 -4.92 115.26 113.47 2off n ASN 707 Ca 0.00 -2.87 -0.10 0.00 -0.03 0.00 0.00 54.58 51.59 2off n ASN 707 Cb 0.28 -0.68 -0.12 0.00 -0.61 0.00 0.00 39.78 38.66 2off n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2off s PHE 708 N -2.64 0.17 -0.89 3.10 5.36 -1.04 -4.81 117.98 117.23 2off s PHE 708 Ca 0.54 -0.34 -0.11 0.00 -0.96 0.00 0.00 56.93 56.06 2off s PHE 708 Cb 0.41 -0.13 0.23 0.00 -0.34 0.00 0.00 43.02 43.19 2off s PHE 708 CO 0.17 -0.14 0.83 -0.06 -1.46 0.00 0.00 175.22 174.57 2off s PHE 709 N -1.02 3.88 -0.03 10.12 0.08 -0.24 -4.96 117.98 125.81 2off s PHE 709 Ca -0.11 -2.29 -0.15 0.00 0.12 0.00 0.00 56.93 54.49 2off s PHE 709 Cb -0.07 -3.75 -0.05 0.00 -0.57 0.00 0.00 43.02 38.58 2off s PHE 709 CO -0.01 -0.95 0.42 0.42 -0.10 0.00 0.00 175.22 174.99 2off s ILE 710 N -0.31 5.07 0.19 0.64 1.01 -1.26 -1.32 121.20 125.22 2off s ILE 710 Ca 0.22 0.85 -0.10 0.00 0.00 0.00 0.00 60.65 61.62 2off s ILE 710 Cb -0.11 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2off s ILE 710 CO -0.08 0.52 0.34 0.72 0.00 0.00 0.00 174.94 176.43 2off s PHE 711 N -0.65 0.42 0.00 3.97 -0.71 -1.00 -4.97 117.98 115.05 2off s PHE 711 Ca 0.24 -0.77 0.00 0.00 -1.04 0.00 0.00 56.93 55.36 2off s PHE 711 Cb -0.16 -0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 2off s PHE 711 CO 0.12 -0.80 0.00 0.41 -1.34 0.00 0.00 175.22 173.62 2off n GLY 712 N -0.27 -3.09 3.78 1.99 0.00 -1.26 -4.28 105.19 102.06 2off n GLY 712 Ca -0.05 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 2off n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2off s MET 713 N -0.95 4.18 0.69 1.61 -1.94 -1.26 -4.91 119.30 116.72 2off s MET 713 Ca 0.00 2.48 -0.09 0.00 -1.71 0.00 0.00 55.69 56.37 2off s MET 713 Cb 0.00 -3.00 0.04 0.00 2.01 0.00 0.00 34.83 33.88 2off s MET 713 CO 0.00 -0.44 1.04 1.03 -0.01 0.00 0.00 175.02 176.64 2off s ARG 714 N -2.00 2.52 0.30 2.03 1.81 -1.26 -4.51 118.95 117.84 2off s ARG 714 Ca 0.52 0.07 0.06 0.00 -1.72 0.00 0.00 55.73 54.65 2off s ARG 714 Cb -0.45 -2.12 0.76 0.00 -0.45 0.00 0.00 34.95 32.70 2off s ARG 714 CO 0.60 -1.11 1.74 0.28 -0.68 0.00 0.00 175.30 176.13 2off h VAL 715 N -0.59 0.60 -0.82 3.52 2.07 -1.83 -0.77 116.25 118.43 2off h VAL 715 Ca -0.45 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2off h VAL 715 Cb 1.29 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2off h VAL 715 CO 0.62 0.11 0.47 -0.33 0.02 0.00 0.00 177.57 178.47 2off h GLU 716 N 0.60 1.12 -0.27 1.57 3.07 -1.95 -1.86 114.58 116.86 2off h GLU 716 Ca 0.58 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 59.21 2off h GLU 716 Cb 1.01 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 2off h GLU 716 CO -0.44 0.80 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.18 2off h ASP 717 N 1.14 0.61 -0.26 1.42 5.19 -1.53 -1.43 116.42 121.56 2off h ASP 717 Ca 0.29 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2off h ASP 717 Cb -0.01 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 2off h ASP 717 CO -0.05 0.91 0.08 0.58 -3.12 0.00 0.00 179.24 177.64 2off h VAL 718 N 0.50 1.20 -0.57 -1.35 2.07 -0.98 -1.67 116.25 115.44 2off h VAL 718 Ca 0.05 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2off h VAL 718 Cb 0.84 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2off h VAL 718 CO 0.07 0.21 0.37 0.44 0.02 0.00 0.00 177.57 178.68 2off h ASP 719 N 0.26 0.63 -0.74 0.57 3.32 -1.25 -0.14 116.42 119.06 2off h ASP 719 Ca 0.08 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.19 2off h ASP 719 Cb 0.25 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 2off h ASP 719 CO -0.00 0.45 0.42 0.03 -1.72 0.00 0.00 179.24 178.42 2off h ARG 720 N 0.75 0.74 -0.25 3.56 3.08 -1.17 -1.90 114.38 119.19 2off h ARG 720 Ca 0.22 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 2off h ARG 720 Cb -0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2off h ARG 720 CO -0.06 0.49 -0.43 1.25 -1.07 0.00 0.00 179.97 180.15 2off h LEU 721 N 0.76 0.65 -0.57 3.04 6.46 -0.68 -2.69 115.31 122.27 2off h LEU 721 Ca 0.34 -0.30 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2off h LEU 721 Cb 0.23 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2off h LEU 721 CO -0.20 0.99 0.17 0.44 -0.62 0.00 0.00 178.44 179.22 2off h ASP 722 N 0.49 0.83 -0.06 1.25 3.32 -0.73 0.15 116.42 121.68 2off h ASP 722 Ca 0.04 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 2off h ASP 722 Cb 0.95 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2off h ASP 722 CO 0.08 0.82 -0.24 1.56 -1.72 0.00 0.00 179.24 179.75 2off h GLN 723 N 0.80 0.48 0.09 3.56 4.20 -1.28 -2.87 115.11 120.08 2off h GLN 723 Ca 0.18 -0.17 -0.28 0.00 0.06 0.00 0.00 58.65 58.44 2off h GLN 723 Cb 0.29 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.06 2off h GLN 723 CO -0.01 0.68 -1.18 -0.09 -0.67 0.00 0.00 178.83 177.57 2off h ARG 724 N 0.43 0.54 0.00 1.46 2.43 -1.37 -3.50 114.38 114.36 2off h ARG 724 Ca 0.06 -0.70 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 2off h ARG 724 Cb 0.65 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2off h ARG 724 CO 0.05 1.30 0.00 0.41 -1.51 0.00 0.00 179.97 180.22 2off n GLY 725 N 1.29 1.81 3.65 2.80 0.00 0.52 -5.03 105.19 110.23 2off n GLY 725 Ca -0.11 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 2off n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2off s TYR 726 N 0.00 2.85 -0.38 1.61 5.04 -1.19 -4.90 117.35 120.39 2off s TYR 726 Ca 0.00 1.02 0.02 0.00 -2.44 0.00 0.00 57.07 55.67 2off s TYR 726 Cb 0.00 -3.64 0.11 0.00 0.35 0.00 0.00 41.96 38.78 2off s TYR 726 CO 0.00 -1.53 0.11 1.21 -1.34 0.00 0.00 175.55 174.01 2off s ASN 727 N 2.18 4.84 0.36 4.32 3.04 -1.26 -4.99 114.94 123.43 2off s ASN 727 Ca 0.54 -2.24 0.05 0.00 0.04 0.00 0.00 52.86 51.25 2off s ASN 727 Cb -0.19 -1.68 0.70 0.00 -1.54 0.00 0.00 41.25 38.54 2off s ASN 727 CO 0.17 -0.40 1.96 0.00 -3.04 0.00 0.00 177.10 175.79 2off h ALA 728 N 7.57 1.52 -0.91 1.71 0.00 -1.88 -2.75 119.26 124.53 2off h ALA 728 Ca -0.06 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 54.94 2off h ALA 728 Cb 1.01 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 2off h ALA 728 CO 0.58 0.37 0.46 0.37 0.00 0.00 0.00 179.25 181.03 2off h GLN 729 N 0.58 0.51 -0.71 0.00 5.75 -1.92 -1.52 115.11 117.81 2off h GLN 729 Ca 0.14 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.75 2off h GLN 729 Cb 0.12 -0.11 -0.09 0.00 1.07 0.00 0.00 27.48 28.46 2off h GLN 729 CO -0.01 0.34 0.24 1.49 -2.65 0.00 0.00 178.83 178.24 2off h GLU 730 N 0.52 0.37 -0.30 1.69 4.81 -1.91 0.40 114.58 120.16 2off h GLU 730 Ca 0.55 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.66 2off h GLU 730 Cb 0.97 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2off h GLU 730 CO -0.46 0.25 -0.20 1.88 -0.73 0.00 0.00 179.01 179.75 2off h TYR 731 N 0.38 0.77 -0.87 0.92 -1.99 -1.44 -2.62 116.97 112.12 2off h TYR 731 Ca 0.38 -0.21 0.07 0.00 2.00 0.00 0.00 58.73 60.97 2off h TYR 731 Cb 0.58 -0.17 -0.06 0.00 2.00 0.00 0.00 36.73 39.07 2off h TYR 731 CO -0.19 0.91 0.53 -0.92 -0.00 0.00 0.00 178.16 178.49 2off h TYR 732 N 0.40 0.99 -0.04 4.88 5.03 -1.05 -1.62 116.97 125.56 2off h TYR 732 Ca 0.06 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.28 2off h TYR 732 Cb 0.74 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 2off h TYR 732 CO 0.07 0.49 -0.53 -0.44 -1.32 0.00 0.00 178.16 176.42 2off h ASP 733 N 0.96 0.12 -0.01 -2.11 3.32 -0.86 -3.33 116.42 114.51 2off h ASP 733 Ca 0.38 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2off h ASP 733 Cb 0.20 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2off h ASP 733 CO -0.18 0.63 -0.51 0.54 -1.72 0.00 0.00 179.24 178.00 2off n ARG 734 N -3.91 1.51 -3.89 3.56 1.74 -1.00 -4.79 116.66 109.88 2off n ARG 734 Ca -0.02 -0.59 -0.30 0.00 -0.77 0.00 0.00 57.85 56.17 2off n ARG 734 Cb 0.55 -1.32 -0.15 0.00 -1.02 0.00 0.00 32.46 30.53 2off n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2off s ILE 735 N -2.23 1.74 0.30 0.55 1.01 -0.64 -5.01 121.20 116.92 2off s ILE 735 Ca 0.12 -2.12 0.01 0.00 0.00 0.00 0.00 60.65 58.66 2off s ILE 735 Cb 0.14 -2.28 0.28 0.00 0.01 0.00 0.00 42.46 40.61 2off s ILE 735 CO 0.53 -0.67 1.90 -0.65 0.00 0.00 0.00 174.94 176.04 2off h PRO 736 N 7.61 0.99 -0.59 2.79 0.11 -1.87 -1.51 132.00 139.53 2off h PRO 736 Ca -0.07 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.92 2off h PRO 736 Cb 1.00 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2off h PRO 736 CO 0.51 0.65 0.16 0.93 -0.21 0.00 0.00 178.00 180.05 2off h GLU 737 N 1.02 0.93 -0.62 1.05 5.08 -1.95 -1.28 114.58 118.82 2off h GLU 737 Ca 0.41 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2off h GLU 737 Cb 0.27 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2off h GLU 737 CO -0.17 0.85 0.30 1.25 -1.00 0.00 0.00 179.01 180.24 2off h LEU 738 N 0.85 0.81 -0.31 1.33 5.85 -1.79 -2.83 115.31 119.23 2off h LEU 738 Ca 0.19 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2off h LEU 738 Cb 0.32 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2off h LEU 738 CO -0.00 0.72 0.11 -0.09 -0.34 0.00 0.00 178.44 178.84 2off h ARG 739 N 0.85 0.24 -0.79 1.25 2.43 -0.98 -2.32 114.38 115.05 2off h ARG 739 Ca 0.21 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.46 2off h ARG 739 Cb 0.12 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 2off h ARG 739 CO -0.03 0.16 0.44 0.37 -1.51 0.00 0.00 179.97 179.40 2off h GLN 740 N 0.25 0.72 -0.26 0.20 4.15 -1.12 -1.49 115.11 117.56 2off h GLN 740 Ca 0.14 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2off h GLN 740 Cb 0.10 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2off h GLN 740 CO -0.14 0.48 0.10 0.82 -1.93 0.00 0.00 178.83 178.16 2off h ILE 741 N 0.74 1.18 -0.64 2.39 2.04 -1.21 0.19 117.51 122.21 2off h ILE 741 Ca 0.38 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2off h ILE 741 Cb 0.36 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2off h ILE 741 CO -0.25 0.18 0.30 0.40 0.00 0.00 0.00 178.15 178.78 2off h ILE 742 N 0.27 1.21 -0.36 -0.67 1.08 -1.15 -0.62 117.51 117.26 2off h ILE 742 Ca 0.09 -0.59 -0.17 0.00 -0.39 0.00 0.00 64.86 63.79 2off h ILE 742 Cb 0.19 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2off h ILE 742 CO -0.01 0.25 -0.43 -0.33 -0.69 0.00 0.00 178.15 176.94 2off h GLU 743 N 0.91 0.92 -0.53 2.37 5.08 -1.04 -1.03 114.58 121.26 2off h GLU 743 Ca 0.22 -0.51 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2off h GLU 743 Cb 0.10 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2off h GLU 743 CO -0.03 1.16 0.32 1.96 -1.00 0.00 0.00 179.01 181.42 2off h GLN 744 N 0.74 0.61 -0.17 2.33 4.20 -0.50 -1.12 115.11 121.20 2off h GLN 744 Ca 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2off h GLN 744 Cb 1.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2off h GLN 744 CO 0.10 0.41 0.06 -0.07 -0.67 0.00 0.00 178.83 178.66 2off h LEU 745 N 0.63 0.24 -0.42 1.46 3.38 -1.00 -1.64 115.31 117.97 2off h LEU 745 Ca 0.21 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2off h LEU 745 Cb 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2off h LEU 745 CO -0.10 0.37 0.12 0.28 0.09 0.00 0.00 178.44 179.20 2off h SER 746 N 0.11 0.63 1.55 -0.43 0.02 -1.10 -3.25 113.55 111.08 2off h SER 746 Ca 0.06 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2off h SER 746 Cb 0.21 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2off h SER 746 CO -0.00 0.69 0.00 0.77 -1.14 0.00 0.00 176.83 177.14 2off h SER 747 N 0.55 0.00 0.00 3.07 4.64 -1.24 -3.43 113.55 117.14 2off h SER 747 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2off h SER 747 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2off h SER 747 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2off n GLY 748 N 0.83 1.35 0.34 -0.77 0.00 -1.11 -4.85 105.19 100.97 2off n GLY 748 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2off n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2off h PHE 749 N 0.00 0.82 -0.15 1.61 3.04 -1.56 -2.34 116.94 118.35 2off h PHE 749 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2off h PHE 749 Cb 0.00 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.23 2off h PHE 749 CO 0.00 0.51 0.00 1.19 -2.02 0.00 0.00 178.31 177.99 2off n PHE 750 N -4.44 0.17 -3.06 0.41 3.72 -1.26 -4.59 117.46 108.42 2off n PHE 750 Ca 0.07 -0.09 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 2off n PHE 750 Cb 0.06 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 2off n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2off n SER 751 N 1.32 -1.35 -0.29 4.37 3.41 -0.91 -4.77 113.62 115.39 2off n SER 751 Ca 0.16 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2off n SER 751 Cb 0.58 0.39 0.13 0.00 -0.26 0.00 0.00 64.21 65.06 2off n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2off h PRO 752 N 4.56 0.87 0.00 4.33 0.11 -1.74 -2.33 132.00 137.80 2off h PRO 752 Ca 0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2off h PRO 752 Cb 0.96 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 2off h PRO 752 CO 0.33 0.58 -0.15 0.87 -0.21 0.00 0.00 178.00 179.42 2off h LYS 753 N 0.90 0.00 -2.47 1.05 1.57 -1.96 -3.36 116.57 112.29 2off h LYS 753 Ca 0.36 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.55 2off h LYS 753 Cb 0.19 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.10 2off h LYS 753 CO -0.18 0.03 -0.82 1.04 -0.57 0.00 0.00 179.45 178.95 2off n GLN 754 N -3.05 1.18 -0.08 3.15 6.02 -0.91 -5.00 117.38 118.68 2off n GLN 754 Ca 0.03 -3.83 0.21 0.00 -0.01 0.00 0.00 57.00 53.40 2off n GLN 754 Cb 0.54 -1.86 0.65 0.00 1.02 0.00 0.00 30.24 30.59 2off n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2off h PRO 755 N 4.99 0.10 -0.52 -1.09 0.11 -1.64 -0.95 132.00 133.00 2off h PRO 755 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2off h PRO 755 Cb 0.81 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2off h PRO 755 CO 0.57 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 2off n ASP 756 N -4.38 2.93 -0.27 -2.05 3.85 -1.26 -3.64 116.55 111.72 2off n ASP 756 Ca 0.13 -1.98 0.08 0.00 -0.71 0.00 0.00 54.79 52.31 2off n ASP 756 Cb 0.67 -0.35 0.22 0.00 -1.35 0.00 0.00 41.12 40.31 2off n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2off h LEU 757 N 3.28 -0.03 -3.89 -2.12 5.85 -1.50 -2.04 115.31 114.85 2off h LEU 757 Ca 0.00 0.17 -0.40 0.00 0.84 0.00 0.00 57.88 58.49 2off h LEU 757 Cb 0.75 0.24 -0.24 0.00 0.37 0.00 0.00 40.66 41.78 2off h LEU 757 CO 0.00 -0.10 0.50 0.49 -0.34 0.00 0.00 178.44 178.99 2off n PHE 758 N -5.21 2.81 0.12 1.25 3.01 -1.26 -4.54 117.46 113.64 2off n PHE 758 Ca 0.17 -1.60 0.02 0.00 1.01 0.00 0.00 57.45 57.05 2off n PHE 758 Cb 0.55 -0.84 0.38 0.00 -0.01 0.00 0.00 39.48 39.56 2off n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2off h LYS 759 N 1.64 0.23 -0.56 -1.08 2.10 -1.69 -2.50 116.57 114.70 2off h LYS 759 Ca 0.49 -0.06 -0.10 0.00 -2.00 0.00 0.00 60.65 58.99 2off h LYS 759 Cb 2.66 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 33.94 2off h LYS 759 CO 0.96 0.39 -0.04 -0.44 -2.00 0.00 0.00 179.45 178.31 2off h ASP 760 N 0.21 1.01 -0.01 7.07 3.32 -1.84 -1.61 116.42 124.58 2off h ASP 760 Ca 0.04 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 2off h ASP 760 Cb 0.41 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2off h ASP 760 CO 0.03 1.09 0.00 0.40 -1.72 0.00 0.00 179.24 179.04 2off h ILE 761 N 0.90 1.24 -0.06 0.35 2.04 -1.84 -1.00 117.51 119.14 2off h ILE 761 Ca 0.15 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2off h ILE 761 Cb 0.60 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2off h ILE 761 CO 0.04 0.18 -0.02 0.58 0.00 0.00 0.00 178.15 178.93 2off h VAL 762 N -0.28 0.93 -0.64 1.67 2.07 -1.47 0.57 116.25 119.09 2off h VAL 762 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2off h VAL 762 Cb 0.30 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2off h VAL 762 CO 0.00 0.00 0.32 -1.13 0.02 0.00 0.00 177.57 176.78 2off h ASN 763 N -0.01 0.44 -0.28 0.57 -1.24 -1.29 0.59 115.58 114.36 2off h ASN 763 Ca 0.03 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 2off h ASN 763 Cb 0.05 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 2off h ASN 763 CO -0.06 0.28 0.14 -0.03 -1.29 0.00 0.00 177.43 176.46 2off h MET 764 N 0.58 0.40 -0.91 6.67 4.05 -0.85 0.20 114.93 125.07 2off h MET 764 Ca 0.30 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 2off h MET 764 Cb 0.26 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 2off h MET 764 CO -0.22 0.37 0.52 -0.07 0.23 0.00 0.00 176.91 177.73 2off h LEU 765 N 0.33 1.12 0.08 3.39 4.07 -0.30 -1.54 115.31 122.45 2off h LEU 765 Ca 0.10 -0.09 -0.26 0.00 0.08 0.00 0.00 57.88 57.71 2off h LEU 765 Cb 0.09 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 2off h LEU 765 CO -0.01 0.89 -1.26 0.24 -1.08 0.00 0.00 178.44 177.22 2off h MET 766 N 1.27 0.16 0.00 1.13 2.86 -0.78 -3.42 114.93 116.15 2off h MET 766 Ca 0.32 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2off h MET 766 Cb -0.00 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2off h MET 766 CO -0.05 1.08 -0.77 0.72 1.06 0.00 0.00 176.91 178.94 2off n HIS 767 N -3.42 0.00 -2.74 -0.22 8.25 0.05 -4.42 115.22 112.71 2off n HIS 767 Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 2off n HIS 767 Cb 1.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.16 2off n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2off n HIS 768 N -1.33 -0.22 -2.99 4.41 -0.00 -0.69 -5.04 115.22 109.37 2off n HIS 768 Ca 0.00 -2.64 -0.43 0.00 -0.00 0.00 0.00 57.72 54.64 2off n HIS 768 Cb 0.14 0.28 -0.05 0.00 -0.00 0.00 0.00 29.99 30.37 2off n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2off s ASP 769 N -2.39 6.24 0.40 4.39 2.15 -0.67 -4.87 116.67 121.92 2off s ASP 769 Ca 0.27 -0.86 0.29 0.00 0.43 0.00 0.00 52.55 52.68 2off s ASP 769 Cb 0.42 -2.36 1.28 0.00 -0.30 0.00 0.00 42.92 41.96 2off s ASP 769 CO -0.02 -1.15 1.86 0.03 -0.17 0.00 0.00 175.17 175.72 2off h ARG 770 N 9.25 0.00 -0.15 4.34 3.08 -1.97 -3.25 114.38 125.68 2off h ARG 770 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2off h ARG 770 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2off h ARG 770 CO 1.07 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.16 2off n PHE 771 N -2.59 0.20 -3.64 3.04 3.72 -1.26 -5.02 117.46 111.92 2off n PHE 771 Ca 0.01 -0.48 -0.21 0.00 -0.05 0.00 0.00 57.45 56.71 2off n PHE 771 Cb 0.20 -0.04 0.05 0.00 -0.94 0.00 0.00 39.48 38.76 2off n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2off n LYS 772 N -0.02 -5.75 -0.11 -1.08 5.02 -1.23 -4.73 118.16 110.26 2off n LYS 772 Ca 0.05 0.70 -0.05 0.00 -2.02 0.00 0.00 58.31 56.99 2off n LYS 772 Cb 0.32 -5.48 0.02 0.00 -0.02 0.00 0.00 35.03 29.87 2off n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2off h VAL 773 N -1.97 0.75 -0.41 -0.18 2.07 -1.94 -2.54 116.25 112.03 2off h VAL 773 Ca -0.60 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 2off h VAL 773 Cb 1.36 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2off h VAL 773 CO 0.56 0.02 0.10 -0.26 0.02 0.00 0.00 177.57 178.01 2off h PHE 774 N 0.13 0.61 0.00 1.57 0.05 -1.91 -2.95 116.94 114.44 2off h PHE 774 Ca 0.18 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.91 2off h PHE 774 Cb 0.24 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.00 2off h PHE 774 CO -0.23 0.53 -0.05 0.00 -0.18 0.00 0.00 178.31 178.38 2off h ALA 775 N 1.52 1.69 -0.02 2.45 0.00 -1.83 -2.55 119.26 120.51 2off h ALA 775 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2off h ALA 775 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2off h ALA 775 CO -0.00 0.06 -0.03 -0.25 0.00 0.00 0.00 179.25 179.03 2off n ASP 776 N -4.15 2.54 0.22 0.00 8.00 -1.12 -4.72 116.55 117.32 2off n ASP 776 Ca -0.03 -1.77 -0.15 0.00 0.71 0.00 0.00 54.79 53.55 2off n ASP 776 Cb 0.13 0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 2off n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2off h TYR 777 N 3.65 -0.68 -0.17 1.24 5.03 -1.36 -1.50 116.97 123.18 2off h TYR 777 Ca 0.00 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 2off h TYR 777 Cb 0.79 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 39.29 2off h TYR 777 CO 0.00 -0.39 -0.04 0.93 -1.32 0.00 0.00 178.16 177.34 2off h GLU 778 N -0.60 -0.00 -0.14 1.82 5.08 -1.85 -0.81 114.58 118.08 2off h GLU 778 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2off h GLU 778 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2off h GLU 778 CO 0.00 -0.00 -0.24 0.93 -1.00 0.00 0.00 179.01 178.70 2off h GLU 779 N -0.00 0.25 0.09 2.33 5.08 -1.88 -2.30 114.58 118.15 2off h GLU 779 Ca 0.08 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2off h GLU 779 Cb 0.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2off h GLU 779 CO -0.18 0.48 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.35 2off h TYR 780 N 0.22 -0.11 -0.44 4.33 3.20 -0.80 -1.03 116.97 122.34 2off h TYR 780 Ca 0.04 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2off h TYR 780 Cb 0.55 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 2off h TYR 780 CO 0.01 0.17 0.27 0.28 -1.64 0.00 0.00 178.16 177.26 2off h VAL 781 N -0.40 1.07 -0.43 1.81 2.07 -1.09 -0.05 116.25 119.23 2off h VAL 781 Ca -0.01 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2off h VAL 781 Cb 0.34 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2off h VAL 781 CO 0.02 0.10 0.25 0.50 0.02 0.00 0.00 177.57 178.46 2off h LYS 782 N 0.55 0.50 -0.67 1.57 1.63 -1.45 -2.05 116.57 116.66 2off h LYS 782 Ca 0.17 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 2off h LYS 782 Cb -0.02 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 2off h LYS 782 CO -0.06 0.33 0.19 0.00 -3.45 0.00 0.00 179.45 176.45 2off h GLN 784 N 1.00 0.41 -0.68 0.00 1.08 -0.61 -2.17 115.11 114.14 2off h GLN 784 Ca 0.22 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.33 2off h GLN 784 Cb 0.31 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2off h GLN 784 CO -0.00 0.31 0.23 0.93 -0.95 0.00 0.00 178.83 179.35 2off h GLU 785 N 0.42 1.04 -0.54 1.46 5.08 -0.97 -2.28 114.58 118.79 2off h GLU 785 Ca 0.11 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2off h GLU 785 Cb 0.02 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2off h GLU 785 CO -0.02 0.90 0.20 0.00 -1.00 0.00 0.00 179.01 179.09 2off h ARG 786 N 0.98 0.79 0.19 2.33 3.08 -1.23 -1.67 114.38 118.86 2off h ARG 786 Ca 0.22 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2off h ARG 786 Cb 0.27 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2off h ARG 786 CO -0.01 0.66 -0.09 0.28 -1.07 0.00 0.00 179.97 179.74 2off h VAL 787 N 0.78 0.84 -0.94 2.04 2.07 -1.24 -2.32 116.25 117.48 2off h VAL 787 Ca 0.18 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.67 2off h VAL 787 Cb 0.18 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2off h VAL 787 CO -0.01 0.03 0.61 0.28 0.02 0.00 0.00 177.57 178.49 2off h SER 788 N -0.30 0.93 -0.44 0.57 0.02 -1.18 -1.64 113.55 111.52 2off h SER 788 Ca -0.03 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2off h SER 788 Cb 0.24 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2off h SER 788 CO 0.04 0.58 0.18 0.00 -1.14 0.00 0.00 176.83 176.50 2off h ALA 789 N 1.50 0.56 -0.52 3.77 0.00 -1.20 -2.76 119.26 120.62 2off h ALA 789 Ca 0.42 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2off h ALA 789 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2off h ALA 789 CO -0.17 0.16 -0.07 1.25 0.00 0.00 0.00 179.25 180.41 2off h LEU 790 N 0.56 0.93 -1.71 0.00 6.46 -1.01 -3.04 115.31 117.51 2off h LEU 790 Ca 0.15 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 2off h LEU 790 Cb 0.17 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2off h LEU 790 CO -0.01 1.03 -0.17 0.22 -0.62 0.00 0.00 178.44 178.89 2off h TYR 791 N 0.85 0.00 0.00 1.25 3.20 -1.17 -0.44 116.97 120.66 2off h TYR 791 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2off h TYR 791 Cb 0.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2off h TYR 791 CO 0.04 0.17 0.00 0.87 -1.64 0.00 0.00 178.16 177.60 2off h LYS 792 N 0.00 0.00 -3.27 1.82 1.57 -1.37 -3.33 116.57 112.00 2off h LYS 792 Ca -0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2off h LYS 792 Cb 0.33 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.26 2off h LYS 792 CO 0.02 0.00 -0.40 1.21 -0.57 0.00 0.00 179.45 179.71 2off s ASN 793 N -5.05 5.18 0.28 0.86 3.84 -0.17 -4.99 114.94 114.88 2off s ASN 793 Ca -0.04 -3.56 0.01 0.00 0.21 0.00 0.00 52.86 49.47 2off s ASN 793 Cb 0.12 -1.75 0.64 0.00 -0.55 0.00 0.00 41.25 39.70 2off s ASN 793 CO 0.39 -0.17 1.70 -0.65 -2.79 0.00 0.00 177.10 175.58 2off h PRO 794 N 5.97 0.37 -0.51 0.43 0.11 -1.76 -0.45 132.00 136.16 2off h PRO 794 Ca 0.10 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 2off h PRO 794 Cb 0.82 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 2off h PRO 794 CO 0.76 0.24 0.19 -0.09 -0.21 0.00 0.00 178.00 178.89 2off h ARG 795 N 0.38 0.78 0.00 1.05 2.43 -1.94 -1.09 114.38 115.99 2off h ARG 795 Ca 0.51 -0.15 -0.17 0.00 -0.81 0.00 0.00 59.98 59.36 2off h ARG 795 Cb 0.93 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2off h ARG 795 CO -0.51 0.70 -0.79 0.93 -1.51 0.00 0.00 179.97 178.78 2off h GLU 796 N 0.69 0.00 0.05 0.20 4.39 -1.60 -1.64 114.58 116.67 2off h GLU 796 Ca 0.17 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2off h GLU 796 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2off h GLU 796 CO -0.01 0.79 -0.02 2.35 -1.16 0.00 0.00 179.01 180.96 2off h TRP 797 N 0.00 -0.06 -0.22 4.33 2.91 -0.97 -2.72 115.95 119.21 2off h TRP 797 Ca -0.01 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.92 2off h TRP 797 Cb 1.42 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 30.08 2off h TRP 797 CO 0.00 -0.04 -0.26 1.15 -1.03 0.00 0.00 178.44 178.27 2off h THR 798 N -0.07 1.26 -0.60 2.65 2.02 -1.08 -1.35 112.91 115.74 2off h THR 798 Ca -0.01 -1.25 -0.10 0.00 0.77 0.00 0.00 66.41 65.82 2off h THR 798 Cb 0.05 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2off h THR 798 CO 0.01 0.39 -0.02 0.03 0.37 0.00 0.00 175.52 176.30 2off h ARG 799 N 0.37 1.08 -0.53 6.66 3.08 -1.30 -0.26 114.38 123.47 2off h ARG 799 Ca 0.06 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 2off h ARG 799 Cb 0.65 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2off h ARG 799 CO 0.05 1.06 0.10 1.98 -1.07 0.00 0.00 179.97 182.09 2off h MET 800 N 0.98 0.87 -0.38 0.04 4.05 -1.14 -2.28 114.93 117.08 2off h MET 800 Ca 0.17 -0.22 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 2off h MET 800 Cb 0.59 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.22 2off h MET 800 CO 0.04 0.84 -0.03 0.28 0.23 0.00 0.00 176.91 178.26 2off h VAL 801 N 0.76 0.68 -0.92 -5.77 2.07 -1.00 -1.92 116.25 110.15 2off h VAL 801 Ca 0.16 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.69 2off h VAL 801 Cb 0.38 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2off h VAL 801 CO 0.01 0.01 0.61 0.40 0.02 0.00 0.00 177.57 178.62 2off h ILE 802 N 0.07 1.19 0.00 4.57 2.04 -0.83 -0.99 117.51 123.55 2off h ILE 802 Ca 0.18 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 2off h ILE 802 Cb 0.27 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 2off h ILE 802 CO -0.34 0.22 -0.26 0.03 0.00 0.00 0.00 178.15 177.80 2off h ARG 803 N 1.19 0.00 0.14 2.37 3.08 -0.91 -1.38 114.38 118.87 2off h ARG 803 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 2off h ARG 803 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2off h ARG 803 CO -0.10 0.26 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.09 2off h ASN 804 N 0.00 -0.16 -0.75 7.04 2.35 -0.46 -3.17 115.58 120.43 2off h ASN 804 Ca -0.00 -0.39 0.11 0.00 -0.55 0.00 0.00 56.30 55.46 2off h ASN 804 Cb 0.49 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.83 2off h ASN 804 CO 0.03 0.42 0.37 0.40 -1.65 0.00 0.00 177.43 177.01 2off h ILE 805 N -0.85 0.81 0.00 2.81 2.04 -1.20 -1.76 117.51 119.35 2off h ILE 805 Ca -0.02 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2off h ILE 805 Cb 0.54 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2off h ILE 805 CO 0.03 0.11 -0.09 0.00 0.00 0.00 0.00 178.15 178.20 2off h ALA 806 N 1.47 1.14 -0.41 1.87 0.00 -1.36 -2.75 119.26 119.21 2off h ALA 806 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2off h ALA 806 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2off h ALA 806 CO -0.30 0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.31 2off n THR 807 N -3.40 1.14 1.29 0.00 -2.24 -0.70 -2.31 114.28 108.06 2off n THR 807 Ca -0.01 -1.08 0.14 0.00 -2.27 0.00 0.00 64.05 60.83 2off n THR 807 Cb 0.25 0.42 0.57 0.00 -2.10 0.00 0.00 70.33 69.47 2off n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2off n SER 808 N 0.64 0.39 -0.24 3.42 3.41 -0.95 -4.37 113.62 115.91 2off n SER 808 Ca 0.15 -0.35 0.21 0.00 -0.26 0.00 0.00 58.87 58.63 2off n SER 808 Cb 0.51 -0.10 0.55 0.00 -0.26 0.00 0.00 64.21 64.91 2off n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2off h GLY 809 N 4.98 0.74 2.00 5.00 0.00 -1.79 -0.96 103.07 113.03 2off h GLY 809 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2off h GLY 809 CO 0.00 -0.02 -0.01 1.70 0.00 0.00 0.00 176.54 178.21 2off h LYS 810 N 0.33 0.00 -0.65 4.80 3.64 -1.88 -2.93 116.57 119.89 2off h LYS 810 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2off h LYS 810 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2off h LYS 810 CO -0.16 0.01 0.00 1.19 -2.27 0.00 0.00 179.45 178.22 2off n PHE 811 N -3.77 1.45 -2.56 1.91 3.01 -0.37 -4.75 117.46 112.39 2off n PHE 811 Ca -0.03 -0.54 -0.41 0.00 1.01 0.00 0.00 57.45 57.48 2off n PHE 811 Cb 0.09 -0.32 -0.04 0.00 -0.01 0.00 0.00 39.48 39.21 2off n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2off s SER 812 N -0.73 7.29 0.02 4.37 0.15 -1.10 -0.90 113.70 122.79 2off s SER 812 Ca 0.43 1.98 0.11 0.00 0.70 0.00 0.00 55.95 59.17 2off s SER 812 Cb 0.30 -2.59 0.47 0.00 -1.71 0.00 0.00 66.02 62.49 2off s SER 812 CO 0.17 -0.23 1.35 -1.54 1.20 0.00 0.00 173.24 174.18 2off n SER 813 N 2.83 0.04 -0.21 5.45 3.41 -0.20 -1.87 113.62 123.07 2off n SER 813 Ca 0.04 0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 59.07 2off n SER 813 Cb 0.47 -0.52 0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2off n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2off h ASP 814 N 0.00 1.00 -0.12 4.04 3.32 -1.92 -0.55 116.42 122.19 2off h ASP 814 Ca 0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 2off h ASP 814 Cb 0.18 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2off h ASP 814 CO 0.00 1.04 0.02 -0.09 -1.72 0.00 0.00 179.24 178.50 2off h ARG 815 N 0.92 0.19 -0.30 3.56 1.12 -1.69 -1.94 114.38 116.24 2off h ARG 815 Ca 0.17 -0.05 0.05 0.00 -1.11 0.00 0.00 59.98 59.04 2off h ARG 815 Cb 0.52 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.41 2off h ARG 815 CO 0.02 0.37 -0.01 1.15 -3.11 0.00 0.00 179.97 178.40 2off h THR 816 N -0.03 0.78 -0.57 0.20 2.02 -1.43 -2.22 112.91 111.66 2off h THR 816 Ca 0.04 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 2off h THR 816 Cb 0.27 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2off h THR 816 CO 0.00 0.01 0.01 0.40 0.37 0.00 0.00 175.52 176.31 2off h ILE 817 N 0.08 1.26 -0.86 3.11 1.08 -1.10 -1.50 117.51 119.58 2off h ILE 817 Ca 0.14 -1.12 0.06 0.00 -0.39 0.00 0.00 64.86 63.55 2off h ILE 817 Cb 0.19 0.85 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 2off h ILE 817 CO -0.24 0.40 0.56 0.00 -0.69 0.00 0.00 178.15 178.18 2off h ALA 818 N 0.97 1.55 -0.17 1.87 0.00 -1.16 0.14 119.26 122.47 2off h ALA 818 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2off h ALA 818 Cb 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2off h ALA 818 CO 0.03 0.32 -0.12 1.96 0.00 0.00 0.00 179.25 181.44 2off h GLN 819 N 0.97 0.37 -0.40 0.00 4.20 -0.92 -1.91 115.11 117.42 2off h GLN 819 Ca 0.37 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 58.98 2off h GLN 819 Cb 0.20 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.90 2off h GLN 819 CO -0.13 0.71 -0.09 1.88 -0.67 0.00 0.00 178.83 180.53 2off h TYR 820 N 0.03 -0.19 -0.21 2.96 0.05 -0.95 -0.14 116.97 118.51 2off h TYR 820 Ca 0.03 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.86 2off h TYR 820 Cb 0.62 0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 2off h TYR 820 CO 0.07 -0.16 0.12 0.00 -1.05 0.00 0.00 178.16 177.14 2off h ALA 821 N 1.39 0.26 0.04 3.88 0.00 -0.66 0.49 119.26 124.66 2off h ALA 821 Ca 0.19 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 2off h ALA 821 Cb 0.29 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.05 2off h ALA 821 CO -0.40 -0.29 -0.92 0.00 0.00 0.00 0.00 179.25 177.63 2off h ARG 822 N 0.24 0.56 0.00 0.00 3.08 -1.27 0.24 114.38 117.23 2off h ARG 822 Ca 0.08 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.48 2off h ARG 822 Cb 0.00 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2off h ARG 822 CO -0.05 1.26 -1.40 0.39 -1.07 0.00 0.00 179.97 179.10 2off n GLU 823 N -3.99 0.34 0.03 0.04 1.02 -0.07 -4.26 120.64 113.74 2off n GLU 823 Ca -0.12 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 2off n GLU 823 Cb 0.83 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 2off n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2off n ILE 824 N -1.93 0.65 0.17 -3.67 5.41 0.02 -4.87 119.36 115.14 2off n ILE 824 Ca 0.00 0.21 0.08 0.00 1.00 0.00 0.00 62.75 64.05 2off n ILE 824 Cb 0.45 -1.54 0.10 0.00 -0.71 0.00 0.00 39.64 37.94 2off n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2off h TRP 825 N 0.00 0.00 -3.48 1.39 6.55 -1.18 -3.48 115.95 115.75 2off h TRP 825 Ca 0.00 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.64 2off h TRP 825 Cb 0.47 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 28.84 2off h TRP 825 CO 0.00 0.18 -0.35 0.41 -1.05 0.00 0.00 178.44 177.64 2off n GLY 826 N 1.16 0.18 3.22 1.49 0.00 0.58 -4.94 105.19 106.89 2off n GLY 826 Ca 0.02 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 2off n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2off s VAL 827 N -3.16 1.28 -0.24 1.61 -7.23 0.34 -5.00 120.40 107.99 2off s VAL 827 Ca 0.26 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 58.77 2off s VAL 827 Cb -0.11 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 2off s VAL 827 CO 0.36 -0.32 0.16 -0.70 -0.31 0.00 0.00 175.10 174.30 2off s GLU 828 N -2.27 4.04 0.78 4.82 2.56 -1.26 -3.39 118.70 123.99 2off s GLU 828 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 54.97 54.62 2off s GLU 828 Cb -0.07 -3.54 0.06 0.00 2.00 0.00 0.00 34.13 32.58 2off s GLU 828 CO 0.03 0.02 1.10 -1.25 -0.56 0.00 0.00 175.26 174.60 2off s PRO 829 N 1.16 2.13 -0.06 4.30 0.04 -1.26 -4.95 135.00 136.35 2off s PRO 829 Ca 0.07 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 2off s PRO 829 Cb -0.14 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.56 2off s PRO 829 CO 0.05 -1.75 0.12 0.45 0.04 0.00 0.00 177.00 175.92 2off s SER 830 N -3.26 0.50 -0.13 6.66 0.15 -0.01 -5.01 113.70 112.60 2off s SER 830 Ca 0.62 0.24 0.09 0.00 0.70 0.00 0.00 55.95 57.60 2off s SER 830 Cb -0.18 0.13 0.48 0.00 -1.71 0.00 0.00 66.02 64.74 2off s SER 830 CO 0.55 -0.21 1.26 0.54 1.20 0.00 0.00 173.24 176.59 2off n ARG 831 N 4.87 3.20 -2.98 5.44 5.12 -1.26 -3.21 116.66 127.84 2off n ARG 831 Ca -0.13 -1.86 -0.40 0.00 -1.93 0.00 0.00 57.85 53.53 2off n ARG 831 Cb 0.50 -1.89 -0.04 0.00 -1.16 0.00 0.00 32.46 29.87 2off n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2off s GLN 832 N -1.98 4.47 0.54 5.56 -0.21 -1.26 -5.04 119.66 121.73 2off s GLN 832 Ca 0.32 1.01 -0.22 0.00 0.02 0.00 0.00 55.36 56.49 2off s GLN 832 Cb 0.24 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.77 2off s GLN 832 CO 0.11 0.10 1.32 1.03 -2.12 0.00 0.00 175.29 175.73 2off s ARG 833 N 0.62 3.21 0.20 2.91 3.00 -1.26 -4.96 118.95 122.67 2off s ARG 833 Ca 0.40 2.15 -0.09 0.00 0.00 0.00 0.00 55.73 58.19 2off s ARG 833 Cb -0.19 -2.26 -0.07 0.00 0.00 0.00 0.00 34.95 32.44 2off s ARG 833 CO 0.21 -1.11 0.50 -0.51 0.00 0.00 0.00 175.30 174.39 2off s LEU 834 N -3.49 4.20 0.36 2.53 1.43 -0.41 -5.05 118.68 118.25 2off s LEU 834 Ca 0.71 0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 54.37 2off s LEU 834 Cb -0.38 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 2off s LEU 834 CO 0.45 -0.03 1.48 -2.16 0.23 0.00 0.00 176.35 176.32 2off s PRO 835 N -2.73 4.15 0.00 1.29 0.04 -1.26 -4.58 135.00 131.91 2off s PRO 835 Ca 0.45 2.52 0.11 0.00 0.04 0.00 0.00 61.00 64.12 2off s PRO 835 Cb -0.12 -2.99 0.63 0.00 0.04 0.00 0.00 34.50 32.06 2off s PRO 835 CO 0.22 -0.50 1.07 0.00 0.04 0.00 0.00 177.00 177.83