#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qry s PRO 20 N 0.00 4.48 -0.25 1.97 0.04 -1.26 -4.81 135.00 135.17 2qry s PRO 20 Ca 0.00 1.87 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 2qry s PRO 20 Cb 0.00 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2qry s PRO 20 CO 0.00 -0.11 0.10 0.08 0.04 0.00 0.00 177.00 177.12 2qry s VAL 21 N 0.05 4.70 -0.29 -0.36 1.01 -1.26 -0.99 120.40 123.25 2qry s VAL 21 Ca 0.53 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 2qry s VAL 21 Cb -0.32 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2qry s VAL 21 CO 0.36 0.33 0.15 -0.22 0.00 0.00 0.00 175.10 175.73 2qry s LEU 22 N 1.44 3.97 -0.18 3.92 2.96 -0.10 -4.96 118.68 125.72 2qry s LEU 22 Ca 0.06 -0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 2qry s LEU 22 Cb -0.15 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2qry s LEU 22 CO 0.05 -0.12 0.23 -0.89 -1.32 0.00 0.00 176.35 174.30 2qry s THR 23 N 1.67 5.34 -0.17 3.68 2.01 -1.26 -0.13 115.64 126.79 2qry s THR 23 Ca 0.06 0.40 0.01 0.00 0.31 0.00 0.00 61.69 62.46 2qry s THR 23 Cb -0.16 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.81 2qry s THR 23 CO 0.08 0.40 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.57 2qry s VAL 24 N 0.53 1.66 -0.04 3.82 1.01 0.18 -0.75 120.40 126.80 2qry s VAL 24 Ca 0.13 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 2qry s VAL 24 Cb -0.12 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2qry s VAL 24 CO 0.02 0.40 0.84 -0.31 0.00 0.00 0.00 175.10 176.05 2qry s TYR 25 N 1.44 3.60 0.37 5.22 1.51 0.24 -0.50 117.35 129.23 2qry s TYR 25 Ca 0.03 1.46 -0.06 0.00 -1.01 0.00 0.00 57.07 57.49 2qry s TYR 25 Cb -0.14 -2.97 0.02 0.00 -0.11 0.00 0.00 41.96 38.77 2qry s TYR 25 CO -0.10 0.01 0.59 -2.37 -1.11 0.00 0.00 175.55 172.57 2qry n THR 26 N 3.91 0.00 -2.90 -0.71 5.66 0.15 -0.34 114.28 120.05 2qry n THR 26 Ca 0.03 -1.53 -0.25 0.00 -3.05 0.00 0.00 64.05 59.25 2qry n THR 26 Cb 0.51 1.06 0.00 0.00 -1.55 0.00 0.00 70.33 70.35 2qry n THR 26 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2qry s TYR 27 N -2.70 3.45 0.24 1.09 -0.85 -1.24 -1.31 117.35 116.03 2qry s TYR 27 Ca 0.25 0.55 -0.06 0.00 -0.52 0.00 0.00 57.07 57.29 2qry s TYR 27 Cb -0.02 -2.22 0.32 0.00 0.38 0.00 0.00 41.96 40.41 2qry s TYR 27 CO 0.18 -0.23 1.85 0.38 -1.52 0.00 0.00 175.55 176.22 2qry h ASP 28 N 0.37 0.84 0.68 -0.18 3.04 -1.86 -2.41 116.42 116.90 2qry h ASP 28 Ca -0.47 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 2qry h ASP 28 Cb 1.22 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 2qry h ASP 28 CO 0.61 0.54 0.00 0.77 -2.04 0.00 0.00 179.24 179.12 2qry h SER 29 N 0.97 0.00 0.03 4.15 4.64 -1.95 0.23 113.55 121.62 2qry h SER 29 Ca 0.37 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 2qry h SER 29 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2qry h SER 29 CO -0.16 0.00 -0.33 0.15 -0.87 0.00 0.00 176.83 175.61 2qry h PHE 30 N 0.00 0.11 0.00 4.77 3.57 -1.82 -3.35 116.94 120.22 2qry h PHE 30 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2qry h PHE 30 Cb 0.34 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2qry h PHE 30 CO 0.00 1.13 0.00 0.00 -2.23 0.00 0.00 178.31 177.21 2qry h ALA 31 N -0.04 1.00 -2.17 2.41 0.00 -1.33 0.20 119.26 119.33 2qry h ALA 31 Ca -0.07 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.32 2qry h ALA 31 Cb 1.18 0.00 0.21 0.00 0.00 0.00 0.00 17.79 19.18 2qry h ALA 31 CO 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.04 2qry n ALA 32 N -1.91 -1.99 0.28 0.00 0.00 0.78 -4.59 120.51 113.08 2qry n ALA 32 Ca 0.05 -0.70 0.15 0.00 0.00 0.00 0.00 53.44 52.94 2qry n ALA 32 Cb 0.45 -1.97 0.82 0.00 0.00 0.00 0.00 19.45 18.75 2qry n ALA 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qry h ASP 33 N -1.86 0.00 -0.14 0.00 3.32 -1.91 -1.71 116.42 114.13 2qry h ASP 33 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2qry h ASP 33 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2qry h ASP 33 CO 0.39 0.07 0.00 -2.67 -1.72 0.00 0.00 179.24 175.31 2qry n TRP 34 N -3.55 0.15 -2.23 4.55 2.14 -1.26 -4.84 117.44 112.41 2qry n TRP 34 Ca -0.02 -0.08 0.00 0.00 2.07 0.00 0.00 57.50 59.47 2qry n TRP 34 Cb 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.70 2qry n TRP 34 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2qry n GLY 35 N 1.37 1.01 0.17 -1.67 0.00 -0.64 -4.89 105.19 100.53 2qry n GLY 35 Ca 0.16 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.33 2qry n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qry h PRO 36 N 0.00 0.00 -0.21 1.61 0.13 -1.54 -3.40 132.00 128.59 2qry h PRO 36 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2qry h PRO 36 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2qry h PRO 36 CO 0.00 0.00 -0.12 0.41 -0.23 0.00 0.00 178.00 178.06 2qry n GLY 37 N 1.13 -2.92 0.28 1.56 0.00 0.70 -0.93 105.19 105.01 2qry n GLY 37 Ca 0.05 0.69 0.07 0.00 0.00 0.00 0.00 46.02 46.83 2qry n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qry h PRO 38 N 0.00 0.24 -0.23 1.61 0.11 -1.78 0.22 132.00 132.17 2qry h PRO 38 Ca 0.03 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2qry h PRO 38 Cb 0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2qry h PRO 38 CO -0.20 0.16 0.10 0.28 -0.21 0.00 0.00 178.00 178.13 2qry h VAL 39 N 0.24 1.16 -0.26 3.15 2.07 -1.64 -0.76 116.25 120.22 2qry h VAL 39 Ca 0.44 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 2qry h VAL 39 Cb 0.78 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2qry h VAL 39 CO -0.55 0.16 -0.11 0.58 0.02 0.00 0.00 177.57 177.67 2qry h VAL 40 N 0.23 1.21 0.06 2.57 2.07 0.13 -0.22 116.25 122.30 2qry h VAL 40 Ca 0.08 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2qry h VAL 40 Cb 0.16 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2qry h VAL 40 CO -0.01 0.30 -0.03 0.50 0.02 0.00 0.00 177.57 178.35 2qry h LYS 41 N 0.40 -0.07 -0.68 1.57 3.64 -0.36 -1.63 116.57 119.44 2qry h LYS 41 Ca 0.08 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2qry h LYS 41 Cb 0.44 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2qry h LYS 41 CO 0.02 0.33 0.41 -0.22 -2.27 0.00 0.00 179.45 177.72 2qry h LYS 42 N -0.49 0.92 0.02 1.90 3.64 -0.94 -1.80 116.57 119.81 2qry h LYS 42 Ca -0.01 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2qry h LYS 42 Cb 0.43 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2qry h LYS 42 CO 0.01 0.65 -0.01 0.00 -2.27 0.00 0.00 179.45 177.83 2qry h ALA 43 N 1.22 -0.02 -0.82 5.00 0.00 -1.04 -2.72 119.26 120.88 2qry h ALA 43 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qry h ALA 43 Cb -0.04 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2qry h ALA 43 CO -0.05 -0.41 0.52 0.35 0.00 0.00 0.00 179.25 179.67 2qry h PHE 44 N -0.24 1.05 0.00 0.00 3.57 -1.18 -2.45 116.94 117.70 2qry h PHE 44 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2qry h PHE 44 Cb 0.23 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2qry h PHE 44 CO -0.00 0.68 0.00 0.39 -2.23 0.00 0.00 178.31 177.15 2qry n GLU 45 N -4.49 0.14 -1.70 1.11 1.02 -0.69 -1.22 120.64 114.82 2qry n GLU 45 Ca 0.08 0.31 -0.34 0.00 -0.02 0.00 0.00 57.16 57.19 2qry n GLU 45 Cb 0.03 -1.74 0.05 0.00 -0.02 0.00 0.00 31.44 29.77 2qry n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qry n ALA 46 N -1.69 6.05 0.00 0.62 0.00 -0.92 -4.03 120.51 120.55 2qry n ALA 46 Ca 0.03 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.70 2qry n ALA 46 Cb 0.26 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2qry n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qry n ASP 47 N -0.75 0.00 -3.89 0.00 2.03 -1.12 -5.00 116.55 107.81 2qry n ASP 47 Ca 0.55 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.60 2qry n ASP 47 Cb 0.60 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.84 2qry n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qry s ASN 49 N 1.72 4.41 0.25 0.00 0.01 -1.26 -4.38 114.94 115.69 2qry s ASN 49 Ca 0.05 -0.95 -0.18 0.00 -0.71 0.00 0.00 52.86 51.07 2qry s ASN 49 Cb -0.13 -2.58 0.07 0.00 0.41 0.00 0.00 41.25 39.02 2qry s ASN 49 CO -0.08 -3.61 0.88 0.00 -1.51 0.00 0.00 177.10 172.78 2qry s GLU 51 N -2.06 3.11 -0.34 0.00 2.12 -0.16 -4.79 118.70 116.57 2qry s GLU 51 Ca 0.19 -0.79 -0.20 0.00 0.36 0.00 0.00 54.97 54.53 2qry s GLU 51 Cb -0.03 -2.60 -0.00 0.00 0.26 0.00 0.00 34.13 31.75 2qry s GLU 51 CO 0.07 -0.09 0.59 -1.17 -0.54 0.00 0.00 175.26 174.12 2qry s LEU 52 N 1.05 4.26 -0.51 2.70 0.20 -1.26 -0.92 118.68 124.20 2qry s LEU 52 Ca -0.01 0.14 -0.15 0.00 0.69 0.00 0.00 54.13 54.80 2qry s LEU 52 Cb -0.14 -2.72 0.12 0.00 -0.43 0.00 0.00 46.19 43.02 2qry s LEU 52 CO -0.05 -0.53 0.45 -0.75 -0.29 0.00 0.00 176.35 175.18 2qry s LYS 53 N 2.58 2.89 -0.47 1.98 2.47 0.82 -4.97 119.74 125.03 2qry s LYS 53 Ca 0.22 -1.66 -0.18 0.00 -1.56 0.00 0.00 55.97 52.79 2qry s LYS 53 Cb -0.15 -4.19 0.05 0.00 -1.46 0.00 0.00 37.83 32.07 2qry s LYS 53 CO 0.14 -1.25 0.56 -0.51 0.16 0.00 0.00 175.35 174.44 2qry s LEU 54 N 1.56 4.96 -0.25 5.43 1.43 -1.26 0.47 118.68 131.01 2qry s LEU 54 Ca 0.04 -0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 2qry s LEU 54 Cb -0.28 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2qry s LEU 54 CO 0.03 -0.77 0.11 -0.69 0.23 0.00 0.00 176.35 175.26 2qry s VAL 55 N 2.42 4.73 -1.21 -1.59 1.01 0.34 -4.97 120.40 121.13 2qry s VAL 55 Ca 0.14 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 2qry s VAL 55 Cb -0.19 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.07 2qry s VAL 55 CO 0.13 0.32 1.59 0.00 0.00 0.00 0.00 175.10 177.14 2qry s ALA 56 N 1.53 3.35 -0.14 5.51 0.00 -1.26 -0.68 121.76 130.08 2qry s ALA 56 Ca 0.06 -2.88 -0.20 0.00 0.00 0.00 0.00 51.96 48.94 2qry s ALA 56 Cb -0.15 -4.49 -0.18 0.00 0.00 0.00 0.00 23.12 18.30 2qry s ALA 56 CO 0.06 -3.23 0.46 1.25 0.00 0.00 0.00 175.76 174.30 2qry h LEU 57 N 11.91 0.00 -8.37 0.00 5.85 -1.54 -3.44 115.31 119.72 2qry h LEU 57 Ca 0.36 -0.64 -0.15 0.00 0.84 0.00 0.00 57.88 58.29 2qry h LEU 57 Cb 0.90 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.84 2qry h LEU 57 CO 1.39 0.95 -0.20 -1.61 -0.34 0.00 0.00 178.44 178.63 2qry s GLU 58 N -2.10 1.63 0.72 1.25 0.41 -1.24 -5.03 118.70 114.34 2qry s GLU 58 Ca -0.16 -1.47 -0.11 0.00 -0.41 0.00 0.00 54.97 52.82 2qry s GLU 58 Cb -0.01 0.44 0.02 0.00 -1.78 0.00 0.00 34.13 32.80 2qry s GLU 58 CO 0.49 -0.67 1.08 -0.51 -0.49 0.00 0.00 175.26 175.16 2qry s ASP 59 N -3.11 5.26 0.09 -0.19 1.01 -1.26 -3.66 116.67 114.82 2qry s ASP 59 Ca 0.27 1.36 -0.18 0.00 0.71 0.00 0.00 52.55 54.72 2qry s ASP 59 Cb 0.00 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 2qry s ASP 59 CO 0.13 -1.48 0.91 0.61 0.21 0.00 0.00 175.17 175.55 2qry n GLY 60 N -2.41 -1.60 0.24 0.21 0.00 -1.21 -0.82 105.19 99.60 2qry n GLY 60 Ca 0.07 0.70 -0.15 0.00 0.00 0.00 0.00 46.02 46.64 2qry n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qry h VAL 61 N 0.00 1.28 -0.02 1.61 2.07 -1.19 -2.94 116.25 117.07 2qry h VAL 61 Ca 0.09 -1.70 0.01 0.00 0.82 0.00 0.00 66.70 65.92 2qry h VAL 61 Cb 0.23 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2qry h VAL 61 CO -0.53 0.55 0.02 0.28 0.02 0.00 0.00 177.57 177.91 2qry h SER 62 N 0.61 0.00 -0.23 0.57 0.02 -0.57 -2.47 113.55 111.48 2qry h SER 62 Ca 0.02 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2qry h SER 62 Cb 1.12 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2qry h SER 62 CO 0.12 0.00 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.62 2qry h LEU 63 N 0.00 -0.39 0.01 5.07 3.38 -0.78 0.14 115.31 122.74 2qry h LEU 63 Ca 0.01 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qry h LEU 63 Cb 0.04 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2qry h LEU 63 CO -0.00 -0.15 -0.00 0.25 0.09 0.00 0.00 178.44 178.62 2qry h LEU 64 N -0.09 -0.01 -0.75 1.67 5.85 -1.57 -1.86 115.31 118.54 2qry h LEU 64 Ca 0.12 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.80 2qry h LEU 64 Cb 0.28 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 2qry h LEU 64 CO -0.29 0.16 0.33 0.78 -0.34 0.00 0.00 178.44 179.09 2qry h ASN 65 N -0.18 0.36 -0.37 1.25 -0.26 -1.27 -0.96 115.58 114.14 2qry h ASN 65 Ca -0.00 0.09 -0.16 0.00 -0.56 0.00 0.00 56.30 55.68 2qry h ASN 65 Cb 0.18 0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 2qry h ASN 65 CO 0.00 0.16 -0.38 -0.09 -1.06 0.00 0.00 177.43 176.06 2qry h ARG 66 N 0.51 0.92 -0.89 0.81 2.43 -0.62 -3.04 114.38 114.49 2qry h ARG 66 Ca 0.40 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2qry h ARG 66 Cb 0.57 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2qry h ARG 66 CO -0.36 1.14 0.51 1.25 -1.51 0.00 0.00 179.97 181.00 2qry h LEU 67 N 0.73 1.08 -1.71 3.80 5.85 -0.46 -1.81 115.31 122.79 2qry h LEU 67 Ca 0.06 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2qry h LEU 67 Cb 0.97 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2qry h LEU 67 CO 0.09 0.85 0.00 0.54 -0.34 0.00 0.00 178.44 179.58 2qry n ARG 68 N -4.35 0.04 0.00 1.25 1.74 -0.45 -0.54 116.66 114.35 2qry n ARG 68 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2qry n ARG 68 Cb 0.08 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2qry n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2qry n GLU 70 N 0.83 0.00 0.00 5.56 1.02 -0.68 -5.00 120.64 122.37 2qry n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2qry n GLU 70 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 2qry n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qry n GLY 71 N 0.00 4.00 0.10 0.62 0.00 0.29 -1.77 105.19 108.43 2qry n GLY 71 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2qry n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qry h LYS 72 N 0.00 0.00 0.00 1.61 1.79 -1.95 -3.20 116.57 114.82 2qry h LYS 72 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2qry h LYS 72 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2qry h LYS 72 CO 0.00 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.46 2qry n ASN 73 N -2.31 0.00 -4.77 0.86 3.02 -0.73 -4.82 115.26 106.51 2qry n ASN 73 Ca 0.04 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.23 2qry n ASN 73 Cb 0.46 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.60 2qry n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2qry s SER 74 N -1.83 6.79 0.11 6.41 0.15 -1.21 -4.93 113.70 119.20 2qry s SER 74 Ca 0.29 2.67 0.23 0.00 0.70 0.00 0.00 55.95 59.84 2qry s SER 74 Cb 0.13 -2.65 0.18 0.00 -1.71 0.00 0.00 66.02 61.98 2qry s SER 74 CO 0.23 -0.52 1.17 0.29 1.20 0.00 0.00 173.24 175.61 2qry n LYS 75 N 0.81 0.35 -1.80 5.44 5.02 -1.26 -4.93 118.16 121.80 2qry n LYS 75 Ca -0.00 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2qry n LYS 75 Cb 0.42 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 2qry n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qry s ALA 76 N -3.22 3.82 -0.23 7.82 0.00 -1.26 -4.64 121.76 124.05 2qry s ALA 76 Ca 0.04 1.54 0.07 0.00 0.00 0.00 0.00 51.96 53.61 2qry s ALA 76 Cb 0.13 -3.66 -0.19 0.00 0.00 0.00 0.00 23.12 19.40 2qry s ALA 76 CO 0.76 -0.92 -0.12 -0.25 0.00 0.00 0.00 175.76 175.23 2qry n ASP 77 N 3.11 1.45 -3.97 0.00 8.00 0.07 -4.69 116.55 120.53 2qry n ASP 77 Ca 0.12 -0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 2qry n ASP 77 Cb 0.37 0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 2qry n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qry s VAL 78 N -2.49 0.36 -0.24 2.53 1.01 -0.73 -1.06 120.40 119.79 2qry s VAL 78 Ca -0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2qry s VAL 78 Cb 0.08 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.15 2qry s VAL 78 CO 0.65 -0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.95 2qry s VAL 79 N -0.40 2.67 -0.25 2.92 1.01 -0.72 -0.59 120.40 125.03 2qry s VAL 79 Ca -0.01 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 2qry s VAL 79 Cb -0.04 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 34.01 2qry s VAL 79 CO -0.00 0.18 -0.08 -0.22 0.00 0.00 0.00 175.10 174.99 2qry s LEU 80 N 1.28 3.27 0.00 3.92 0.20 0.54 -1.92 118.68 125.97 2qry s LEU 80 Ca -0.01 -1.05 0.00 0.00 0.69 0.00 0.00 54.13 53.76 2qry s LEU 80 Cb -0.17 -1.63 0.00 0.00 -0.43 0.00 0.00 46.19 43.97 2qry s LEU 80 CO -0.05 -0.15 0.00 0.61 -0.29 0.00 0.00 176.35 176.46 2qry n GLY 81 N 4.60 -0.91 3.95 7.98 0.00 -0.63 -4.10 105.19 116.08 2qry n GLY 81 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2qry n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qry s LEU 82 N 0.00 2.80 0.00 0.99 1.43 -1.07 -4.58 118.68 118.26 2qry s LEU 82 Ca 0.00 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2qry s LEU 82 Cb 0.00 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 2qry s LEU 82 CO 0.00 -2.21 0.23 -0.90 0.23 0.00 0.00 176.35 173.71 2qry n ASP 83 N -3.29 -0.61 0.21 2.29 5.68 -1.26 -0.36 116.55 119.20 2qry n ASP 83 Ca 0.13 -2.41 0.16 0.00 -0.50 0.00 0.00 54.79 52.17 2qry n ASP 83 Cb 0.60 1.31 0.81 0.00 -1.14 0.00 0.00 41.12 42.69 2qry n ASP 83 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2qry h ASN 84 N 1.36 0.00 1.10 -1.12 -1.07 -1.49 -0.76 115.58 113.61 2qry h ASN 84 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.21 2qry h ASN 84 Cb 0.80 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.05 2qry h ASN 84 CO 0.23 0.00 0.00 0.59 0.07 0.00 0.00 177.43 178.32 2qry n ASN 85 N -3.98 0.48 -0.03 6.14 3.02 -1.26 -3.61 115.26 116.02 2qry n ASN 85 Ca 0.01 0.56 0.06 0.00 -0.03 0.00 0.00 54.58 55.19 2qry n ASN 85 Cb 0.27 -0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.68 2qry n ASN 85 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qry n LEU 86 N -1.97 0.71 -0.30 3.41 4.77 -0.30 -4.59 117.00 118.72 2qry n LEU 86 Ca 0.05 -0.52 0.14 0.00 -0.03 0.00 0.00 56.01 55.65 2qry n LEU 86 Cb 0.34 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.74 2qry n LEU 86 CO 0.26 0.17 0.99 -0.07 -1.33 0.00 0.00 177.39 177.40 2qry h LEU 87 N 0.13 0.14 -0.41 2.23 3.38 -1.59 0.17 115.31 119.36 2qry h LEU 87 Ca 0.00 0.18 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2qry h LEU 87 Cb 0.33 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2qry h LEU 87 CO 0.00 -0.11 -0.21 -0.78 0.09 0.00 0.00 178.44 177.42 2qry h ASP 88 N 0.27 0.90 -0.33 -0.43 3.58 -1.84 0.17 116.42 118.74 2qry h ASP 88 Ca 0.57 -0.41 -0.17 0.00 0.42 0.00 0.00 57.03 57.44 2qry h ASP 88 Cb 1.15 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 2qry h ASP 88 CO -0.61 1.11 -0.47 0.00 -2.88 0.00 0.00 179.24 176.39 2qry h ALA 89 N 0.82 0.50 -0.43 -0.78 0.00 -1.71 -2.23 119.26 115.43 2qry h ALA 89 Ca 0.09 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2qry h ALA 89 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2qry h ALA 89 CO 0.06 0.67 -0.10 0.00 0.00 0.00 0.00 179.25 179.88 2qry h ALA 90 N 0.72 1.03 -0.38 0.00 0.00 -0.90 -2.97 119.26 116.75 2qry h ALA 90 Ca 0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2qry h ALA 90 Cb 1.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2qry h ALA 90 CO 0.11 0.59 -0.00 1.03 0.00 0.00 0.00 179.25 180.98 2qry h SER 91 N 0.69 0.67 0.24 0.00 0.87 -0.57 -3.01 113.55 112.44 2qry h SER 91 Ca 0.12 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2qry h SER 91 Cb 0.56 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2qry h SER 91 CO 0.03 0.81 0.00 0.29 -0.53 0.00 0.00 176.83 177.44 2qry n LYS 92 N -4.46 0.11 0.06 2.24 5.02 -0.85 -2.29 118.16 118.00 2qry n LYS 92 Ca -0.01 0.22 -0.01 0.00 -2.02 0.00 0.00 58.31 56.49 2qry n LYS 92 Cb 0.28 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 2qry n LYS 92 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2qry h THR 93 N 0.00 0.76 -0.26 -0.18 1.35 -1.48 -3.48 112.91 109.63 2qry h THR 93 Ca 0.00 -2.27 -0.11 0.00 -0.55 0.00 0.00 66.41 63.48 2qry h THR 93 Cb 0.12 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 68.76 2qry h THR 93 CO 0.00 0.44 -0.10 0.61 -0.25 0.00 0.00 175.52 176.22 2qry n GLY 94 N 1.35 0.76 0.09 5.82 0.00 -0.97 -4.88 105.19 107.36 2qry n GLY 94 Ca -0.06 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.71 2qry n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qry n LEU 95 N -0.61 0.74 -4.64 0.99 4.32 -1.26 -4.76 117.00 111.78 2qry n LEU 95 Ca -0.05 0.46 -0.27 0.00 -0.02 0.00 0.00 56.01 56.13 2qry n LEU 95 Cb 0.26 -0.28 -0.08 0.00 -1.62 0.00 0.00 43.42 41.70 2qry n LEU 95 CO 0.08 -0.13 -0.35 -0.36 -1.22 0.00 0.00 177.39 175.41 2qry s PHE 96 N -3.11 2.79 0.44 -1.77 0.40 -1.26 -0.30 117.98 115.16 2qry s PHE 96 Ca 0.09 -0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 2qry s PHE 96 Cb 0.13 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 2qry s PHE 96 CO 0.63 0.52 0.19 0.00 0.70 0.00 0.00 175.22 177.26 2qry s ALA 97 N -1.72 3.73 0.43 5.36 0.00 -0.28 -4.49 121.76 124.79 2qry s ALA 97 Ca 0.27 -1.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.13 2qry s ALA 97 Cb -0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 2qry s ALA 97 CO 0.18 -0.19 1.28 1.63 0.00 0.00 0.00 175.76 178.65 2qry n LYS 98 N -1.30 1.91 -0.03 0.00 4.01 -1.26 -4.54 118.16 116.95 2qry n LYS 98 Ca -0.03 0.68 -0.14 0.00 -0.51 0.00 0.00 58.31 58.31 2qry n LYS 98 Cb 0.65 -2.40 -0.11 0.00 -0.51 0.00 0.00 35.03 32.66 2qry n LYS 98 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2qry h SER 99 N 2.03 0.17 0.00 4.39 4.64 -0.61 -3.46 113.55 120.70 2qry h SER 99 Ca -0.48 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.12 2qry h SER 99 Cb 1.30 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2qry h SER 99 CO 0.60 0.86 0.00 0.61 -0.87 0.00 0.00 176.83 178.03 2qry n GLY 100 N 0.88 0.64 3.63 -0.77 0.00 -1.26 -4.76 105.19 103.54 2qry n GLY 100 Ca -0.09 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2qry n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qry s VAL 101 N -2.00 4.33 0.50 1.61 1.01 -1.26 -4.98 120.40 119.61 2qry s VAL 101 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 2qry s VAL 101 Cb 0.00 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 2qry s VAL 101 CO 0.00 0.55 1.38 0.00 0.00 0.00 0.00 175.10 177.03 2qry n ALA 102 N 2.76 1.73 0.13 5.51 0.00 -1.26 -4.92 120.51 124.47 2qry n ALA 102 Ca -0.18 0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2qry n ALA 102 Cb 0.53 -2.36 0.23 0.00 0.00 0.00 0.00 19.45 17.84 2qry n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qry h ALA 103 N 1.81 1.10 -0.27 0.00 0.00 -1.94 -2.96 119.26 117.00 2qry h ALA 103 Ca -0.51 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2qry h ALA 103 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qry h ALA 103 CO 0.59 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 180.07 2qry n ASP 104 N -3.95 1.68 -0.65 0.00 5.68 -1.26 -3.52 116.55 114.52 2qry n ASP 104 Ca -0.02 -1.89 0.04 0.00 -0.50 0.00 0.00 54.79 52.43 2qry n ASP 104 Cb 0.52 -0.18 0.13 0.00 -1.14 0.00 0.00 41.12 40.46 2qry n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qry n ALA 105 N 0.38 2.60 -3.38 2.12 0.00 -1.12 -4.80 120.51 116.31 2qry n ALA 105 Ca 0.13 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 2qry n ALA 105 Cb 0.29 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.59 2qry n ALA 105 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qry s VAL 106 N -1.63 -0.03 -0.29 0.00 1.01 -1.23 -4.84 120.40 113.39 2qry s VAL 106 Ca 0.19 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2qry s VAL 106 Cb 0.11 -0.06 0.08 0.00 0.00 0.00 0.00 36.38 36.52 2qry s VAL 106 CO 0.11 0.05 0.00 0.21 0.00 0.00 0.00 175.10 175.48 2qry s ASN 107 N 0.61 4.37 0.04 3.32 2.47 0.12 -4.89 114.94 120.97 2qry s ASN 107 Ca -0.05 -1.69 0.06 0.00 0.42 0.00 0.00 52.86 51.60 2qry s ASN 107 Cb -0.07 -1.38 -0.02 0.00 -1.45 0.00 0.00 41.25 38.32 2qry s ASN 107 CO -0.02 -0.31 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.18 2qry s VAL 108 N 1.17 1.41 0.12 -5.21 1.01 -1.26 -4.59 120.40 113.05 2qry s VAL 108 Ca 0.03 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 2qry s VAL 108 Cb -0.19 -1.24 -0.11 0.00 0.00 0.00 0.00 36.38 34.84 2qry s VAL 108 CO -0.10 0.12 1.83 -2.65 0.00 0.00 0.00 175.10 174.30 2qry n PRO 109 N 1.90 2.76 -0.30 2.72 -0.02 -1.26 -0.70 135.00 140.09 2qry n PRO 109 Ca -0.17 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2qry n PRO 109 Cb 0.54 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 2qry n PRO 109 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qry n GLY 110 N 4.20 0.79 0.10 -1.23 0.00 -1.26 -4.95 105.19 102.84 2qry n GLY 110 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2qry n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qry n GLY 111 N -2.00 -1.35 3.57 -0.02 0.00 0.12 -5.01 105.19 100.50 2qry n GLY 111 Ca 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.43 2qry n GLY 111 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qry s TRP 112 N -1.14 -0.99 -0.41 1.61 -0.11 -1.26 -4.79 118.94 111.84 2qry s TRP 112 Ca 0.00 1.99 0.04 0.00 1.22 0.00 0.00 56.10 59.34 2qry s TRP 112 Cb 0.00 0.57 0.17 0.00 -1.50 0.00 0.00 33.47 32.71 2qry s TRP 112 CO 0.00 -0.50 0.41 1.21 -4.62 0.00 0.00 176.95 173.45 2qry s ASN 113 N 1.63 0.93 -0.15 5.86 2.47 -1.26 -4.92 114.94 119.51 2qry s ASN 113 Ca -0.10 -2.26 -0.06 0.00 0.42 0.00 0.00 52.86 50.87 2qry s ASN 113 Cb -0.06 0.33 0.07 0.00 -1.45 0.00 0.00 41.25 40.14 2qry s ASN 113 CO -0.19 -0.19 0.31 0.21 -3.72 0.00 0.00 177.10 173.53 2qry s ASN 114 N 0.75 0.10 0.00 -4.21 2.47 -1.26 -5.04 114.94 107.74 2qry s ASN 114 Ca 0.26 0.71 0.06 0.00 0.42 0.00 0.00 52.86 54.31 2qry s ASN 114 Cb -0.06 0.85 0.38 0.00 -1.45 0.00 0.00 41.25 40.98 2qry s ASN 114 CO -0.09 -0.23 1.24 -0.90 -3.72 0.00 0.00 177.10 173.40 2qry n ASP 115 N 5.22 0.02 0.00 -4.21 5.68 -1.26 -4.19 116.55 117.81 2qry n ASP 115 Ca -0.09 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 2qry n ASP 115 Cb 0.50 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 2qry n ASP 115 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2qry n THR 116 N -0.58 0.01 -3.39 2.12 -1.04 -1.26 -0.05 114.28 110.08 2qry n THR 116 Ca 0.05 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.67 2qry n THR 116 Cb 0.03 -1.41 -0.09 0.00 -1.82 0.00 0.00 70.33 67.04 2qry n THR 116 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2qry s PHE 117 N -2.00 3.25 -0.31 -1.42 0.08 -1.26 -4.07 117.98 112.26 2qry s PHE 117 Ca 0.00 0.43 -0.11 0.00 0.12 0.00 0.00 56.93 57.37 2qry s PHE 117 Cb 0.00 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 2qry s PHE 117 CO 0.00 -0.22 0.19 0.08 -0.10 0.00 0.00 175.22 175.18 2qry s VAL 118 N 2.03 5.09 0.52 -0.44 1.01 -0.26 -4.78 120.40 123.56 2qry s VAL 118 Ca 0.15 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 2qry s VAL 118 Cb -0.16 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 2qry s VAL 118 CO 0.10 0.12 1.26 -2.84 0.00 0.00 0.00 175.10 173.74 2qry s PRO 119 N 1.71 3.37 0.00 2.72 0.02 -1.26 -1.79 135.00 139.76 2qry s PRO 119 Ca 0.06 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2qry s PRO 119 Cb -0.17 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.08 2qry s PRO 119 CO 0.09 -0.93 0.00 1.97 -0.33 0.00 0.00 177.00 177.80 2qry n PHE 120 N -0.88 0.00 -3.67 6.54 1.16 -0.22 -4.87 117.46 115.51 2qry n PHE 120 Ca 0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.64 2qry n PHE 120 Cb 0.47 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.33 2qry n PHE 120 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2qry s ASP 121 N -1.20 -0.18 0.16 5.98 1.47 -1.25 -3.84 116.67 117.81 2qry s ASP 121 Ca 0.00 -0.25 -0.08 0.00 1.18 0.00 0.00 52.55 53.39 2qry s ASP 121 Cb 0.00 0.38 -0.01 0.00 -0.34 0.00 0.00 42.92 42.95 2qry s ASP 121 CO 0.00 -0.68 0.27 -0.72 0.68 0.00 0.00 175.17 174.72 2qry s TYR 122 N -3.01 0.40 0.04 2.11 -0.85 0.38 -1.18 117.35 115.24 2qry s TYR 122 Ca 0.11 -0.77 -0.07 0.00 -0.52 0.00 0.00 57.07 55.82 2qry s TYR 122 Cb 0.00 -0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.29 2qry s TYR 122 CO -0.01 -0.70 0.32 0.41 -1.52 0.00 0.00 175.55 174.05 2qry n GLY 123 N -0.20 0.92 2.89 5.49 0.00 -0.06 -0.82 105.19 113.41 2qry n GLY 123 Ca -0.08 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 2qry n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qry s TYR 124 N -4.25 0.78 0.55 1.61 2.02 -1.26 -0.71 117.35 116.09 2qry s TYR 124 Ca 0.07 -0.23 -0.20 0.00 -0.37 0.00 0.00 57.07 56.34 2qry s TYR 124 Cb -0.01 -0.70 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 2qry s TYR 124 CO 0.01 -0.21 1.19 -0.06 -1.57 0.00 0.00 175.55 174.91 2qry s PHE 125 N 1.01 2.57 -0.17 2.71 0.08 -0.96 -1.22 117.98 122.00 2qry s PHE 125 Ca -0.10 1.52 -0.31 0.00 0.12 0.00 0.00 56.93 58.16 2qry s PHE 125 Cb -0.14 -3.43 0.14 0.00 -0.57 0.00 0.00 43.02 39.02 2qry s PHE 125 CO -0.00 -1.93 1.10 0.00 -0.10 0.00 0.00 175.22 174.29 2qry s ALA 126 N -1.61 -1.99 -0.08 5.36 0.00 0.54 -4.46 121.76 119.53 2qry s ALA 126 Ca 0.73 1.57 -0.24 0.00 0.00 0.00 0.00 51.96 54.02 2qry s ALA 126 Cb -0.29 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 2qry s ALA 126 CO 0.33 -0.41 0.72 -0.06 0.00 0.00 0.00 175.76 176.34 2qry s PHE 127 N -1.68 3.56 -0.05 0.00 0.40 -1.26 0.20 117.98 119.15 2qry s PHE 127 Ca 0.04 1.26 -0.06 0.00 -0.60 0.00 0.00 56.93 57.57 2qry s PHE 127 Cb -0.01 -2.84 -0.04 0.00 0.51 0.00 0.00 43.02 40.64 2qry s PHE 127 CO -0.03 0.04 0.19 0.08 0.70 0.00 0.00 175.22 176.20 2qry s VAL 128 N 0.98 5.42 0.21 -0.44 1.01 0.19 -1.13 120.40 126.65 2qry s VAL 128 Ca 0.38 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 2qry s VAL 128 Cb -0.18 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2qry s VAL 128 CO 0.18 0.47 0.23 -0.72 0.00 0.00 0.00 175.10 175.26 2qry s TYR 129 N -1.18 0.95 -0.38 5.22 1.13 -0.44 -2.04 117.35 120.61 2qry s TYR 129 Ca 0.22 -1.21 -0.14 0.00 -1.41 0.00 0.00 57.07 54.54 2qry s TYR 129 Cb -0.13 -0.36 0.01 0.00 -1.10 0.00 0.00 41.96 40.39 2qry s TYR 129 CO 0.11 -0.74 0.26 0.34 -2.51 0.00 0.00 175.55 173.02 2qry s ASP 130 N -3.12 6.01 0.59 -0.18 -1.08 -1.26 -1.99 116.67 115.63 2qry s ASP 130 Ca 0.35 -0.77 0.29 0.00 -0.52 0.00 0.00 52.55 51.89 2qry s ASP 130 Cb 0.05 -2.12 1.66 0.00 -1.46 0.00 0.00 42.92 41.04 2qry s ASP 130 CO 0.11 -0.37 2.10 0.11 0.52 0.00 0.00 175.17 177.64 2qry h LYS 131 N 8.55 0.00 0.00 4.34 1.57 -1.03 0.29 116.57 130.29 2qry h LYS 131 Ca -0.28 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 2qry h LYS 131 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2qry h LYS 131 CO 0.69 0.00 -0.40 -0.91 -0.57 0.00 0.00 179.45 178.26 2qry h ASN 132 N 0.00 0.00 -0.01 0.86 2.35 -1.93 -3.28 115.58 113.57 2qry h ASN 132 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2qry h ASN 132 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2qry h ASN 132 CO -0.00 0.40 -0.31 0.29 -1.65 0.00 0.00 177.43 176.15 2qry n LYS 133 N -3.39 2.15 -3.58 0.81 5.02 0.52 -4.86 118.16 114.84 2qry n LYS 133 Ca 0.01 -0.55 -0.29 0.00 -2.02 0.00 0.00 58.31 55.45 2qry n LYS 133 Cb 0.58 -1.14 -0.15 0.00 -0.02 0.00 0.00 35.03 34.30 2qry n LYS 133 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qry s LEU 134 N -1.93 0.89 0.10 -0.35 0.20 0.71 -4.99 118.68 113.32 2qry s LEU 134 Ca 0.09 -1.40 -0.05 0.00 0.69 0.00 0.00 54.13 53.46 2qry s LEU 134 Cb 0.10 -0.45 -0.20 0.00 -0.43 0.00 0.00 46.19 45.20 2qry s LEU 134 CO 0.34 -0.43 1.21 0.11 -0.29 0.00 0.00 176.35 177.29 2qry h LYS 135 N 8.29 0.36 -2.33 1.98 1.57 -1.86 -3.40 116.57 121.19 2qry h LYS 135 Ca -0.18 -0.50 -0.60 0.00 -1.87 0.00 0.00 60.65 57.51 2qry h LYS 135 Cb 1.01 0.17 -0.42 0.00 0.08 0.00 0.00 32.23 33.07 2qry h LYS 135 CO 0.44 1.19 -0.65 0.09 -0.57 0.00 0.00 179.45 179.95 2qry n ASN 136 N -3.65 3.18 -4.75 0.86 3.02 -1.26 -5.10 115.26 107.56 2qry n ASN 136 Ca -0.08 -3.30 -0.32 0.00 -0.03 0.00 0.00 54.58 50.84 2qry n ASN 136 Cb 0.94 -0.68 0.09 0.00 -0.61 0.00 0.00 39.78 39.52 2qry n ASN 136 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2qry s PRO 137 N -2.12 2.20 0.46 3.52 0.04 -1.26 -4.99 135.00 132.84 2qry s PRO 137 Ca 0.37 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 2qry s PRO 137 Cb 0.12 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 2qry s PRO 137 CO -0.05 -1.71 1.34 -1.25 0.04 0.00 0.00 177.00 175.37 2qry s PRO 138 N -4.52 3.68 -0.06 0.56 0.04 -1.26 -4.95 135.00 128.49 2qry s PRO 138 Ca 0.65 2.22 0.12 0.00 0.04 0.00 0.00 61.00 64.04 2qry s PRO 138 Cb -0.20 -2.58 0.37 0.00 0.04 0.00 0.00 34.50 32.13 2qry s PRO 138 CO 0.51 -0.76 1.30 1.04 0.04 0.00 0.00 177.00 179.14 2qry n GLN 139 N -0.29 2.90 -3.49 4.56 6.02 -1.26 -4.61 117.38 121.20 2qry n GLN 139 Ca 0.06 -2.30 -0.10 0.00 -0.01 0.00 0.00 57.00 54.66 2qry n GLN 139 Cb 0.44 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 2qry n GLN 139 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2qry s SER 140 N -1.30 -0.42 0.33 1.08 1.04 -1.26 -1.34 113.70 111.84 2qry s SER 140 Ca 0.29 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.84 2qry s SER 140 Cb 0.19 0.43 0.57 0.00 0.10 0.00 0.00 66.02 67.30 2qry s SER 140 CO 0.13 -0.66 1.81 0.25 0.98 0.00 0.00 173.24 175.75 2qry h LEU 141 N 2.09 0.39 -0.72 2.42 5.85 -1.94 -2.33 115.31 121.06 2qry h LEU 141 Ca -0.24 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 2qry h LEU 141 Cb 1.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2qry h LEU 141 CO 0.33 0.58 -0.02 0.11 -0.34 0.00 0.00 178.44 179.09 2qry h LYS 142 N 0.37 0.96 0.04 1.25 1.57 -1.99 -2.50 116.57 116.27 2qry h LYS 142 Ca 0.07 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2qry h LYS 142 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2qry h LYS 142 CO 0.03 0.96 -0.02 1.49 -0.57 0.00 0.00 179.45 181.34 2qry h GLU 143 N 0.88 -0.05 -0.86 3.15 4.81 -1.87 0.96 114.58 121.60 2qry h GLU 143 Ca 0.16 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.56 2qry h GLU 143 Cb 0.55 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.83 2qry h GLU 143 CO 0.03 0.27 0.43 1.25 -0.73 0.00 0.00 179.01 180.26 2qry h LEU 144 N -0.37 0.48 0.40 1.64 6.46 -1.37 0.14 115.31 122.69 2qry h LEU 144 Ca -0.01 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2qry h LEU 144 Cb 0.34 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2qry h LEU 144 CO 0.01 0.16 -0.19 0.58 -0.62 0.00 0.00 178.44 178.38 2qry h VAL 145 N 0.57 0.00 0.00 1.05 2.07 -1.31 -3.39 116.25 115.24 2qry h VAL 145 Ca 0.49 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2qry h VAL 145 Cb 0.77 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2qry h VAL 145 CO -0.41 0.00 -0.07 -0.33 0.02 0.00 0.00 177.57 176.78 2qry h GLU 146 N -1.14 0.00 -6.77 1.57 5.08 -0.66 -3.41 114.58 109.25 2qry h GLU 146 Ca -0.05 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.73 2qry h GLU 146 Cb 0.41 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.83 2qry h GLU 146 CO 0.09 0.04 0.01 0.45 -1.00 0.00 0.00 179.01 178.59 2qry n SER 147 N -3.10 0.32 -0.11 1.42 2.88 0.49 -4.86 113.62 110.67 2qry n SER 147 Ca 0.04 0.77 0.11 0.00 -1.33 0.00 0.00 58.87 58.46 2qry n SER 147 Cb 0.55 -1.34 0.60 0.00 -0.75 0.00 0.00 64.21 63.27 2qry n SER 147 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qry n ASP 148 N -0.60 0.32 -4.76 -3.46 9.92 -1.26 -4.82 116.55 111.90 2qry n ASP 148 Ca 0.13 -1.38 -0.41 0.00 -0.53 0.00 0.00 54.79 52.60 2qry n ASP 148 Cb 0.48 -0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 40.91 2qry n ASP 148 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2qry s GLN 149 N -1.97 4.53 -0.79 -1.24 -1.52 -1.26 -4.94 119.66 112.48 2qry s GLN 149 Ca 0.33 1.93 -0.04 0.00 -1.95 0.00 0.00 55.36 55.62 2qry s GLN 149 Cb 0.16 -3.17 0.08 0.00 -0.22 0.00 0.00 33.01 29.85 2qry s GLN 149 CO 0.26 0.04 2.63 0.09 -0.25 0.00 0.00 175.29 178.06 2qry n ASN 150 N 1.44 7.08 -4.76 5.90 3.02 -1.26 -4.97 115.26 121.72 2qry n ASN 150 Ca 0.01 -3.17 -0.41 0.00 -0.03 0.00 0.00 54.58 50.98 2qry n ASN 150 Cb 0.44 -1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.30 2qry n ASN 150 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2qry s TRP 151 N -1.46 3.20 -0.14 3.10 0.51 -1.26 -5.00 118.94 117.88 2qry s TRP 151 Ca 0.57 1.41 -0.12 0.00 -2.12 0.00 0.00 56.10 55.83 2qry s TRP 151 Cb 0.30 -3.59 -0.05 0.00 -0.81 0.00 0.00 33.47 29.32 2qry s TRP 151 CO -0.17 -1.65 0.26 1.03 -0.51 0.00 0.00 176.95 175.90 2qry s ARG 152 N -1.27 4.09 0.09 4.98 0.52 -1.26 -4.69 118.95 121.41 2qry s ARG 152 Ca 0.50 0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.84 2qry s ARG 152 Cb -0.38 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 2qry s ARG 152 CO 0.47 0.38 -0.19 0.08 0.02 0.00 0.00 175.30 176.05 2qry s VAL 153 N 0.07 1.56 -0.01 3.52 1.01 0.51 -0.31 120.40 126.75 2qry s VAL 153 Ca 0.16 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.72 2qry s VAL 153 Cb -0.13 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2qry s VAL 153 CO 0.04 -0.07 -0.08 -0.63 0.00 0.00 0.00 175.10 174.36 2qry s ILE 154 N -1.14 0.65 0.16 2.22 1.01 -0.58 -0.61 121.20 122.92 2qry s ILE 154 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2qry s ILE 154 Cb -0.10 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.82 2qry s ILE 154 CO 0.03 0.19 0.23 0.00 0.00 0.00 0.00 174.94 175.40 2qry n TYR 155 N 2.97 -0.97 -4.21 3.97 0.18 -1.18 -1.91 117.16 116.02 2qry n TYR 155 Ca -0.14 -1.04 -0.26 0.00 1.88 0.00 0.00 57.90 58.34 2qry n TYR 155 Cb 0.57 0.27 -0.08 0.00 -0.38 0.00 0.00 39.34 39.72 2qry n TYR 155 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2qry s GLN 156 N -2.33 2.39 -0.13 -3.48 1.11 -1.26 -2.05 119.66 113.91 2qry s GLN 156 Ca 0.12 -1.13 -0.29 0.00 0.01 0.00 0.00 55.36 54.07 2qry s GLN 156 Cb -0.01 -2.34 -0.04 0.00 -1.01 0.00 0.00 33.01 29.61 2qry s GLN 156 CO 0.09 0.45 1.64 0.34 0.01 0.00 0.00 175.29 177.81 2qry s ASP 157 N -2.99 6.52 0.18 5.90 -1.08 0.59 -4.31 116.67 121.49 2qry s ASP 157 Ca 0.28 1.94 0.16 0.00 -0.52 0.00 0.00 52.55 54.40 2qry s ASP 157 Cb -0.09 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.60 2qry s ASP 157 CO 0.19 -1.09 1.49 -0.81 0.52 0.00 0.00 175.17 175.47 2qry n PRO 158 N 7.38 0.10 0.15 4.34 -0.04 -1.26 -0.65 135.00 145.01 2qry n PRO 158 Ca 0.18 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 2qry n PRO 158 Cb 0.44 -1.76 0.27 0.00 -0.04 0.00 0.00 33.50 32.41 2qry n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qry h ARG 159 N 0.00 0.00 0.00 0.54 3.08 -1.92 -3.37 114.38 112.70 2qry h ARG 159 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qry h ARG 159 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2qry h ARG 159 CO 0.00 0.00 -0.62 0.25 -1.07 0.00 0.00 179.97 178.53 2qry n THR 160 N -2.60 0.00 -4.15 2.04 -2.24 -0.86 -4.30 114.28 102.17 2qry n THR 160 Ca 0.04 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 2qry n THR 160 Cb 0.48 -0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.05 2qry n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qry s SER 161 N -2.45 5.68 0.16 3.42 0.15 0.17 -0.73 113.70 120.09 2qry s SER 161 Ca 0.00 0.24 -0.09 0.00 0.70 0.00 0.00 55.95 56.80 2qry s SER 161 Cb 0.00 -1.76 -0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2qry s SER 161 CO 0.00 0.35 1.48 0.71 1.20 0.00 0.00 173.24 176.99 2qry h THR 162 N 4.23 1.28 -0.32 6.45 1.35 -1.89 0.16 112.91 124.16 2qry h THR 162 Ca -0.50 -1.60 -0.05 0.00 -0.55 0.00 0.00 66.41 63.70 2qry h THR 162 Cb 1.20 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 2qry h THR 162 CO 0.58 0.53 -0.03 -0.65 -0.25 0.00 0.00 175.52 175.70 2qry h PRO 163 N 0.69 0.51 -0.24 4.72 0.11 -1.95 0.24 132.00 136.08 2qry h PRO 163 Ca 0.05 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 2qry h PRO 163 Cb 1.01 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2qry h PRO 163 CO 0.10 0.56 0.03 0.78 -0.21 0.00 0.00 178.00 179.26 2qry h GLY 164 N 0.85 0.44 0.99 -0.55 0.00 -1.66 -1.09 103.07 102.05 2qry h GLY 164 Ca 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2qry h GLY 164 CO 0.01 0.28 0.61 -2.00 0.00 0.00 0.00 176.54 175.44 2qry h LEU 165 N 0.21 1.04 -1.11 3.11 6.46 -0.10 -1.61 115.31 123.30 2qry h LEU 165 Ca 0.07 -0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 2qry h LEU 165 Cb 0.34 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 2qry h LEU 165 CO 0.01 0.75 0.60 1.23 -0.62 0.00 0.00 178.44 180.41 2qry h GLY 166 N 1.23 1.35 1.25 3.75 0.00 -0.08 -0.99 103.07 109.58 2qry h GLY 166 Ca 0.34 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 2qry h GLY 166 CO -0.08 0.34 -0.41 -2.00 0.00 0.00 0.00 176.54 174.39 2qry h LEU 167 N 1.10 0.88 -0.00 3.11 5.85 -0.31 0.11 115.31 126.05 2qry h LEU 167 Ca 0.39 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2qry h LEU 167 Cb 0.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2qry h LEU 167 CO -0.14 1.17 -0.11 0.25 -0.34 0.00 0.00 178.44 179.28 2qry h LEU 168 N 0.67 -0.32 -1.08 2.25 5.85 -0.59 -2.59 115.31 119.50 2qry h LEU 168 Ca 0.05 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2qry h LEU 168 Cb 0.98 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2qry h LEU 168 CO 0.09 -0.16 0.01 -0.07 -0.34 0.00 0.00 178.44 177.98 2qry h LEU 169 N -0.19 0.63 -1.25 2.25 3.38 -1.05 -1.89 115.31 117.19 2qry h LEU 169 Ca 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qry h LEU 169 Cb 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qry h LEU 169 CO -0.11 0.69 0.00 1.87 0.09 0.00 0.00 178.44 180.98 2qry n TRP 170 N -4.25 0.00 0.00 1.13 -0.00 0.37 -1.20 117.44 113.49 2qry n TRP 170 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2qry n TRP 170 Cb 0.27 -0.05 0.00 0.00 -0.00 0.00 0.00 31.31 31.53 2qry n TRP 170 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 2qry n GLN 172 N 0.53 0.00 -0.28 5.87 -0.06 -0.71 -2.13 117.38 120.60 2qry n GLN 172 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.96 2qry n GLN 172 Cb 0.06 0.00 0.10 0.00 -4.06 0.00 0.00 30.24 26.34 2qry n GLN 172 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2qry h LYS 173 N 0.00 1.15 0.20 3.69 1.79 -1.44 -0.52 116.57 121.45 2qry h LYS 173 Ca 0.00 -0.18 -0.27 0.00 -2.18 0.00 0.00 60.65 58.02 2qry h LYS 173 Cb 0.00 -0.20 0.03 0.00 -1.58 0.00 0.00 32.23 30.48 2qry h LYS 173 CO 0.00 0.90 -1.19 0.28 -1.08 0.00 0.00 179.45 178.37 2qry h VAL 174 N 1.14 1.38 0.00 0.50 2.07 -1.70 -3.40 116.25 116.23 2qry h VAL 174 Ca 0.27 -2.62 -0.08 0.00 0.82 0.00 0.00 66.70 65.09 2qry h VAL 174 Cb 0.15 3.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2qry h VAL 174 CO -0.03 0.77 -1.88 -1.22 0.02 0.00 0.00 177.57 175.23 2qry n TYR 175 N -3.90 0.00 0.00 1.57 4.02 -1.22 -5.04 117.16 112.58 2qry n TYR 175 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2qry n TYR 175 Cb 0.98 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2qry n TYR 175 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qry n GLY 176 N 1.64 3.64 0.26 2.72 0.00 -0.21 -0.73 105.19 112.51 2qry n GLY 176 Ca -0.09 0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.28 2qry n GLY 176 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qry h ASP 177 N 0.00 0.00 -0.09 1.61 3.32 -1.96 -1.68 116.42 117.62 2qry h ASP 177 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qry h ASP 177 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qry h ASP 177 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 2qry n ASP 178 N -2.78 1.99 -0.21 6.45 8.00 0.09 -4.43 116.55 125.65 2qry n ASP 178 Ca -0.01 -1.69 0.02 0.00 0.71 0.00 0.00 54.79 53.82 2qry n ASP 178 Cb 0.13 -0.05 0.12 0.00 -0.02 0.00 0.00 41.12 41.30 2qry n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qry h ALA 179 N 4.36 0.76 -0.38 2.24 0.00 -1.38 -0.64 119.26 124.22 2qry h ALA 179 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2qry h ALA 179 Cb 0.63 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2qry h ALA 179 CO 0.00 -0.31 0.14 -1.35 0.00 0.00 0.00 179.25 177.73 2qry h PRO 180 N 0.27 0.29 -0.50 0.00 0.11 -1.82 0.53 132.00 130.88 2qry h PRO 180 Ca 0.34 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.39 2qry h PRO 180 Cb 0.51 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 2qry h PRO 180 CO -0.42 0.19 0.17 0.37 -0.21 0.00 0.00 178.00 178.10 2qry h GLN 181 N 0.29 0.76 -0.61 1.05 4.15 -1.73 -1.84 115.11 117.18 2qry h GLN 181 Ca 0.17 -0.15 0.02 0.00 0.77 0.00 0.00 58.65 59.46 2qry h GLN 181 Cb 0.15 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 2qry h GLN 181 CO -0.18 0.70 0.39 0.00 -1.93 0.00 0.00 178.83 177.81 2qry h ALA 182 N 1.03 0.79 -0.76 3.38 0.00 -0.44 -2.10 119.26 121.17 2qry h ALA 182 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2qry h ALA 182 Cb 0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2qry h ALA 182 CO -0.01 0.15 0.40 -1.49 0.00 0.00 0.00 179.25 178.30 2qry h TRP 183 N 0.77 1.04 -0.46 0.00 4.06 0.37 -0.04 115.95 121.69 2qry h TRP 183 Ca 0.24 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.16 2qry h TRP 183 Cb -0.02 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.79 2qry h TRP 183 CO -0.05 0.73 0.28 1.96 -3.56 0.00 0.00 178.44 177.81 2qry h GLN 184 N 1.06 0.63 -0.47 0.49 4.20 -0.79 0.51 115.11 120.74 2qry h GLN 184 Ca 0.27 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 2qry h GLN 184 Cb 0.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2qry h GLN 184 CO -0.04 0.45 0.20 0.87 -0.67 0.00 0.00 178.83 179.64 2qry h LYS 185 N 0.62 0.70 -0.43 1.46 1.57 -0.80 -2.79 116.57 116.89 2qry h LYS 185 Ca 0.17 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2qry h LYS 185 Cb -0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2qry h LYS 185 CO -0.03 0.62 -0.03 1.25 -0.57 0.00 0.00 179.45 180.68 2qry h LEU 186 N 0.62 0.69 -1.26 2.94 5.85 -0.65 -2.71 115.31 120.79 2qry h LEU 186 Ca 0.16 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.85 2qry h LEU 186 Cb 0.17 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 2qry h LEU 186 CO -0.02 0.78 0.58 0.00 -0.34 0.00 0.00 178.44 179.44 2qry h ALA 187 N 1.30 1.80 0.00 1.25 0.00 -0.63 0.20 119.26 123.18 2qry h ALA 187 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qry h ALA 187 Cb 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qry h ALA 187 CO 0.02 -0.03 -0.02 0.87 0.00 0.00 0.00 179.25 180.08 2qry h LYS 188 N 0.72 0.00 -0.10 0.00 1.57 -1.38 -1.58 116.57 115.81 2qry h LYS 188 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2qry h LYS 188 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2qry h LYS 188 CO -0.21 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.33 2qry n LYS 189 N -3.24 1.85 -3.02 3.15 5.02 0.65 -4.97 118.16 117.59 2qry n LYS 189 Ca -0.02 -1.77 -0.40 0.00 -2.02 0.00 0.00 58.31 54.10 2qry n LYS 189 Cb 0.17 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 2qry n LYS 189 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qry s THR 190 N -1.55 4.97 -0.03 -0.18 2.01 -0.60 -0.36 115.64 119.90 2qry s THR 190 Ca 0.25 1.39 -0.15 0.00 0.31 0.00 0.00 61.69 63.49 2qry s THR 190 Cb 0.17 -4.03 -0.32 0.00 0.01 0.00 0.00 72.50 68.33 2qry s THR 190 CO 0.25 0.10 0.79 0.58 -0.69 0.00 0.00 174.62 175.65 2qry h VAL 191 N 5.12 1.15 -1.83 3.82 2.07 -1.17 -3.47 116.25 121.93 2qry h VAL 191 Ca -0.32 -2.56 0.20 0.00 0.82 0.00 0.00 66.70 64.84 2qry h VAL 191 Cb 1.15 2.91 -0.16 0.00 -1.52 0.00 0.00 31.29 33.67 2qry h VAL 191 CO 0.79 0.80 0.67 0.28 0.02 0.00 0.00 177.57 180.13 2qry s THR 192 N -2.55 0.00 -0.12 2.57 -1.32 -1.25 -5.08 115.64 107.89 2qry s THR 192 Ca -0.14 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.28 2qry s THR 192 Cb 0.04 -1.16 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 2qry s THR 192 CO 0.87 0.00 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.45 2qry s VAL 193 N -2.74 1.42 0.21 5.08 1.01 -1.26 -3.09 120.40 121.03 2qry s VAL 193 Ca 0.08 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.56 2qry s VAL 193 Cb -0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2qry s VAL 193 CO -0.06 0.43 0.21 0.42 0.00 0.00 0.00 175.10 176.10 2qry s THR 194 N 1.27 4.67 0.22 3.92 -4.23 -0.87 -4.83 115.64 115.79 2qry s THR 194 Ca -0.01 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 2qry s THR 194 Cb -0.14 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 2qry s THR 194 CO -0.06 -0.25 1.57 0.11 -0.54 0.00 0.00 174.62 175.45 2qry h LYS 195 N 1.77 0.53 -5.57 3.99 1.57 -1.91 0.17 116.57 117.12 2qry h LYS 195 Ca -0.49 -0.29 -0.46 0.00 -1.87 0.00 0.00 60.65 57.53 2qry h LYS 195 Cb 1.22 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.41 2qry h LYS 195 CO 0.62 0.88 -0.72 0.20 -0.57 0.00 0.00 179.45 179.87 2qry s GLY 196 N -4.10 1.54 0.20 3.86 0.00 -1.26 -3.49 107.32 104.07 2qry s GLY 196 Ca -0.07 -1.72 -0.08 0.00 0.00 0.00 0.00 44.72 42.84 2qry s GLY 196 CO 0.83 -1.78 1.73 -0.25 0.00 0.00 0.00 173.10 173.63 2qry h TRP 197 N 2.48 1.20 -0.37 1.90 7.01 -1.97 -3.18 115.95 123.03 2qry h TRP 197 Ca -0.39 -0.13 0.08 0.00 2.11 0.00 0.00 58.89 60.56 2qry h TRP 197 Cb 1.23 -0.34 -0.07 0.00 -2.10 0.00 0.00 29.16 27.87 2qry h TRP 197 CO 0.71 0.96 -0.12 0.77 -2.79 0.00 0.00 178.44 177.97 2qry h SER 198 N 1.10 -0.41 -0.63 2.65 0.02 -1.99 0.81 113.55 115.10 2qry h SER 198 Ca 0.23 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 2qry h SER 198 Cb 0.34 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2qry h SER 198 CO -0.00 -0.15 0.15 -0.08 -1.14 0.00 0.00 176.83 175.61 2qry h GLU 199 N -0.03 1.03 -0.26 3.45 4.81 -1.99 -1.46 114.58 120.12 2qry h GLU 199 Ca 0.18 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2qry h GLU 199 Cb 0.31 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2qry h GLU 199 CO -0.40 0.92 0.01 0.00 -0.73 0.00 0.00 179.01 178.81 2qry h ALA 200 N 1.18 0.35 -0.54 2.92 0.00 -1.36 -1.18 119.26 120.63 2qry h ALA 200 Ca 0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2qry h ALA 200 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2qry h ALA 200 CO 0.00 0.07 0.02 -0.92 0.00 0.00 0.00 179.25 178.42 2qry h TYR 201 N 0.24 0.98 -0.18 0.00 5.03 -0.76 -2.25 116.97 120.03 2qry h TYR 201 Ca 0.08 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.23 2qry h TYR 201 Cb 0.39 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 2qry h TYR 201 CO 0.03 0.87 0.06 0.78 -1.32 0.00 0.00 178.16 178.59 2qry h GLY 202 N 1.00 0.30 0.77 1.82 0.00 -1.11 -0.79 103.07 105.05 2qry h GLY 202 Ca 0.16 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2qry h GLY 202 CO 0.02 0.16 0.52 1.41 0.00 0.00 0.00 176.54 178.65 2qry h LEU 203 N 0.13 0.83 0.18 3.11 3.38 -1.10 -0.95 115.31 120.89 2qry h LEU 203 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qry h LEU 203 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qry h LEU 203 CO -0.00 0.54 -0.14 0.15 0.09 0.00 0.00 178.44 179.08 2qry h PHE 204 N 0.97 -0.36 -0.11 1.13 3.57 -1.12 -1.05 116.94 119.97 2qry h PHE 204 Ca 0.35 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.89 2qry h PHE 204 Cb 0.12 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2qry h PHE 204 CO -0.03 -0.22 0.08 -0.07 -2.23 0.00 0.00 178.31 175.84 2qry h LEU 205 N -0.33 0.00 0.00 0.59 3.38 -0.63 0.49 115.31 118.81 2qry h LEU 205 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qry h LEU 205 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qry h LEU 205 CO -0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.81 2qry n LYS 206 N -4.40 0.40 -0.44 1.13 5.02 -0.41 -4.88 118.16 114.58 2qry n LYS 206 Ca -0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2qry n LYS 206 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2qry n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qry n GLY 207 N 0.84 0.75 0.00 0.72 0.00 0.17 -4.99 105.19 102.68 2qry n GLY 207 Ca 0.13 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.98 2qry n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qry n GLU 208 N -2.44 0.26 -3.82 1.61 1.02 -0.46 -4.88 120.64 111.94 2qry n GLU 208 Ca 0.00 0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 2qry n GLU 208 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 2qry n GLU 208 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2qry s SER 209 N -2.72 -0.18 0.03 1.62 1.04 -1.26 -4.94 113.70 107.29 2qry s SER 209 Ca 0.22 -0.61 0.11 0.00 0.48 0.00 0.00 55.95 56.15 2qry s SER 209 Cb 0.18 0.56 -0.20 0.00 0.10 0.00 0.00 66.02 66.66 2qry s SER 209 CO 0.45 -1.04 0.91 0.44 0.98 0.00 0.00 173.24 174.98 2qry h ASP 210 N 2.27 0.00 -4.80 7.02 3.32 -1.00 -3.47 116.42 119.76 2qry h ASP 210 Ca -0.29 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.58 2qry h ASP 210 Cb 1.25 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.58 2qry h ASP 210 CO 0.39 0.94 -0.70 -0.76 -1.72 0.00 0.00 179.24 177.39 2qry s LEU 211 N -6.28 2.21 -0.00 1.55 1.02 -0.61 -4.29 118.68 112.27 2qry s LEU 211 Ca -0.02 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.73 2qry s LEU 211 Cb 0.09 0.07 -0.01 0.00 0.02 0.00 0.00 46.19 46.36 2qry s LEU 211 CO 0.82 -0.25 -0.11 0.68 0.02 0.00 0.00 176.35 177.51 2qry s VAL 212 N -1.25 0.86 -0.09 -1.59 -7.23 -0.87 -1.52 120.40 108.71 2qry s VAL 212 Ca -0.13 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 2qry s VAL 212 Cb -0.09 -0.73 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 2qry s VAL 212 CO -0.01 0.21 1.33 -0.22 -0.31 0.00 0.00 175.10 176.09 2qry s LEU 213 N -0.35 4.25 0.00 1.32 2.96 -0.80 -0.64 118.68 125.41 2qry s LEU 213 Ca 0.04 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 2qry s LEU 213 Cb -0.05 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2qry s LEU 213 CO -0.00 -0.73 0.00 -0.24 -1.32 0.00 0.00 176.35 174.06 2qry n SER 214 N 6.09 2.48 -4.43 3.68 2.88 0.13 -4.87 113.62 119.58 2qry n SER 214 Ca 0.13 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.46 2qry n SER 214 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.80 2qry n SER 214 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2qry s TYR 215 N 1.04 1.97 -0.62 0.66 1.51 -1.24 -0.34 117.35 120.33 2qry s TYR 215 Ca 0.00 -0.66 0.21 0.00 -1.01 0.00 0.00 57.07 55.61 2qry s TYR 215 Cb 0.00 -1.09 0.88 0.00 -0.11 0.00 0.00 41.96 41.64 2qry s TYR 215 CO 0.00 0.32 1.65 0.25 -1.11 0.00 0.00 175.55 176.66 2qry n THR 216 N -0.58 0.87 1.02 -0.71 -2.24 -0.36 -2.24 114.28 110.04 2qry n THR 216 Ca -0.06 0.23 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 2qry n THR 216 Cb 0.63 -1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2qry n THR 216 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qry n THR 217 N -2.04 0.00 -0.28 4.28 -2.24 -1.26 -4.47 114.28 108.26 2qry n THR 217 Ca 0.03 -0.06 0.04 0.00 -2.27 0.00 0.00 64.05 61.78 2qry n THR 217 Cb 0.22 0.89 0.18 0.00 -2.10 0.00 0.00 70.33 69.51 2qry n THR 217 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qry h SER 218 N 0.55 0.59 -0.73 3.42 0.02 -1.68 -1.89 113.55 113.83 2qry h SER 218 Ca 0.00 0.06 0.18 0.00 -0.84 0.00 0.00 61.79 61.19 2qry h SER 218 Cb 0.55 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 2qry h SER 218 CO 0.00 0.31 0.50 -0.65 -1.14 0.00 0.00 176.83 175.86 2qry h PRO 219 N 0.70 0.20 -0.71 3.45 0.11 -1.80 -1.39 132.00 132.56 2qry h PRO 219 Ca 0.41 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.60 2qry h PRO 219 Cb 0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 2qry h PRO 219 CO -0.28 0.13 0.47 0.00 -0.21 0.00 0.00 178.00 178.10 2qry h ALA 220 N 1.65 1.85 -0.03 -0.75 0.00 -1.63 -1.22 119.26 119.12 2qry h ALA 220 Ca 0.36 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2qry h ALA 220 Cb 1.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2qry h ALA 220 CO -0.07 0.01 -0.03 -0.92 0.00 0.00 0.00 179.25 178.23 2qry h TYR 221 N 0.62 -0.08 -0.53 0.00 3.20 -1.38 0.21 116.97 119.00 2qry h TYR 221 Ca 0.33 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 2qry h TYR 221 Cb 0.46 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2qry h TYR 221 CO -0.00 -0.06 -0.04 0.45 -1.64 0.00 0.00 178.16 176.87 2qry h HIS 222 N -0.05 1.01 0.30 -3.82 3.86 -1.46 -0.16 115.15 114.84 2qry h HIS 222 Ca 0.03 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2qry h HIS 222 Cb 0.08 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.29 2qry h HIS 222 CO -0.12 0.93 -0.14 0.82 0.86 0.00 0.00 177.93 180.27 2qry h ILE 223 N 0.85 0.73 0.23 2.45 2.04 -0.89 0.80 117.51 123.71 2qry h ILE 223 Ca 0.15 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2qry h ILE 223 Cb 0.56 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2qry h ILE 223 CO 0.03 0.06 -0.11 0.25 0.00 0.00 0.00 178.15 178.38 2qry h LEU 224 N -0.55 -0.26 -0.12 1.44 6.46 -0.95 -2.97 115.31 118.37 2qry h LEU 224 Ca -0.04 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 2qry h LEU 224 Cb 0.40 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 2qry h LEU 224 CO 0.07 0.21 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.73 2qry h GLU 225 N -1.08 0.23 -0.01 1.25 4.39 -1.18 -3.33 114.58 114.85 2qry h GLU 225 Ca -0.03 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2qry h GLU 225 Cb 0.25 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2qry h GLU 225 CO 0.05 0.54 -0.62 0.39 -1.16 0.00 0.00 179.01 178.21 2qry n GLU 226 N -4.74 0.55 -2.22 2.33 1.02 -0.92 -4.96 120.64 111.70 2qry n GLU 226 Ca -0.06 -0.42 -0.17 0.00 -0.02 0.00 0.00 57.16 56.49 2qry n GLU 226 Cb 0.25 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 2qry n GLU 226 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qry n LYS 227 N -0.86 -1.32 -4.52 3.49 4.76 0.06 -4.97 118.16 114.79 2qry n LYS 227 Ca 0.07 0.85 -0.33 0.00 -2.87 0.00 0.00 58.31 56.03 2qry n LYS 227 Cb 0.38 -5.26 -0.13 0.00 -1.84 0.00 0.00 35.03 28.18 2qry n LYS 227 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qry s LYS 228 N -4.67 3.52 0.00 1.97 1.02 0.03 -4.95 119.74 116.65 2qry s LYS 228 Ca 0.00 -0.60 0.16 0.00 0.02 0.00 0.00 55.97 55.55 2qry s LYS 228 Cb 0.00 -2.80 0.19 0.00 -0.52 0.00 0.00 37.83 34.70 2qry s LYS 228 CO 0.00 0.19 1.09 -0.25 -0.92 0.00 0.00 175.35 175.46 2qry n ASP 229 N 3.65 2.56 0.00 2.83 9.92 -1.26 -2.40 116.55 131.85 2qry n ASP 229 Ca -0.18 -1.75 0.09 0.00 -0.53 0.00 0.00 54.79 52.43 2qry n ASP 229 Cb 0.52 -0.06 0.44 0.00 -0.64 0.00 0.00 41.12 41.39 2qry n ASP 229 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2qry n ASN 230 N 0.95 0.00 -4.80 -2.24 6.94 -1.26 -4.74 115.26 110.11 2qry n ASN 230 Ca 0.11 0.25 -0.37 0.00 -0.02 0.00 0.00 54.58 54.55 2qry n ASN 230 Cb 0.43 -0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 2qry n ASN 230 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2qry s TYR 231 N -2.78 3.58 0.06 -2.53 1.51 -1.26 -0.51 117.35 115.42 2qry s TYR 231 Ca 0.14 0.73 -0.03 0.00 -1.01 0.00 0.00 57.07 56.90 2qry s TYR 231 Cb 0.13 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2qry s TYR 231 CO 0.32 0.47 0.04 0.00 -1.11 0.00 0.00 175.55 175.27 2qry s ALA 232 N -0.35 0.25 -0.25 3.71 0.00 -0.84 -4.75 121.76 119.53 2qry s ALA 232 Ca 0.19 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 2qry s ALA 232 Cb -0.14 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2qry s ALA 232 CO 0.07 -0.40 0.09 0.00 0.00 0.00 0.00 175.76 175.52 2qry s ALA 233 N -3.75 3.23 0.31 0.00 0.00 -1.26 -1.33 121.76 118.97 2qry s ALA 233 Ca 0.05 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2qry s ALA 233 Cb 0.06 -2.12 -0.11 0.00 0.00 0.00 0.00 23.12 20.95 2qry s ALA 233 CO -0.10 -0.44 1.44 0.00 0.00 0.00 0.00 175.76 176.66 2qry s ALA 234 N 1.53 3.59 -0.27 0.00 0.00 -0.28 -4.99 121.76 121.34 2qry s ALA 234 Ca 0.06 1.41 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 2qry s ALA 234 Cb -0.15 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 2qry s ALA 234 CO 0.05 -0.84 0.16 -0.80 0.00 0.00 0.00 175.76 174.33 2qry s ASN 235 N -0.00 5.84 -0.14 0.00 0.01 -1.26 -4.51 114.94 114.87 2qry s ASN 235 Ca 0.55 -0.05 -0.06 0.00 -0.71 0.00 0.00 52.86 52.59 2qry s ASN 235 Cb -0.43 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2qry s ASN 235 CO 0.52 -0.04 0.09 -0.36 -1.51 0.00 0.00 177.10 175.80 2qry s PHE 236 N 1.71 3.39 0.56 2.20 0.08 -1.26 -4.31 117.98 120.34 2qry s PHE 236 Ca 0.07 0.31 0.24 0.00 0.12 0.00 0.00 56.93 57.66 2qry s PHE 236 Cb -0.16 -1.97 1.53 0.00 -0.57 0.00 0.00 43.02 41.85 2qry s PHE 236 CO 0.09 0.47 2.16 0.66 -0.10 0.00 0.00 175.22 178.50 2qry h SER 237 N 5.69 0.00 0.58 1.36 4.64 -1.57 -1.98 113.55 122.26 2qry h SER 237 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2qry h SER 237 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qry h SER 237 CO 0.63 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.97 2qry n GLU 238 N -4.17 0.08 0.00 4.77 4.71 -1.26 -4.90 120.64 119.86 2qry n GLU 238 Ca -0.01 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 2qry n GLU 238 Cb 0.18 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 2qry n GLU 238 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qry n GLY 239 N 0.45 0.72 3.18 0.62 0.00 -0.75 -4.89 105.19 104.52 2qry n GLY 239 Ca 0.06 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 2qry n GLY 239 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qry s HIS 240 N -1.20 1.50 0.07 1.61 3.76 0.69 -4.78 115.29 116.93 2qry s HIS 240 Ca 0.00 -0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.28 2qry s HIS 240 Cb 0.00 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.71 2qry s HIS 240 CO 0.00 0.02 1.07 -0.47 -0.85 0.00 0.00 174.74 174.52 2qry s TYR 241 N -0.62 3.59 -0.09 1.40 6.14 -1.26 -0.99 117.35 125.52 2qry s TYR 241 Ca 0.05 1.56 -0.20 0.00 0.64 0.00 0.00 57.07 59.12 2qry s TYR 241 Cb -0.07 -3.24 -0.04 0.00 0.42 0.00 0.00 41.96 39.02 2qry s TYR 241 CO 0.01 -0.52 0.56 -1.17 0.64 0.00 0.00 175.55 175.07 2qry s LEU 242 N 0.66 4.31 -0.08 6.97 1.98 -0.92 -2.25 118.68 129.34 2qry s LEU 242 Ca 0.53 0.98 0.04 0.00 -2.89 0.00 0.00 54.13 52.79 2qry s LEU 242 Cb -0.26 -2.84 -0.01 0.00 0.66 0.00 0.00 46.19 43.74 2qry s LEU 242 CO 0.30 -0.02 -0.21 -1.58 -1.89 0.00 0.00 176.35 172.95 2qry s GLN 243 N 0.55 2.86 -0.23 1.98 0.74 0.11 -4.94 119.66 120.73 2qry s GLN 243 Ca 0.30 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.90 2qry s GLN 243 Cb -0.16 -2.32 0.05 0.00 1.10 0.00 0.00 33.01 31.68 2qry s GLN 243 CO 0.14 0.32 -0.11 0.08 -0.55 0.00 0.00 175.29 175.16 2qry s VAL 244 N 0.02 1.89 0.31 1.34 1.01 -1.26 -0.88 120.40 122.83 2qry s VAL 244 Ca -0.08 -1.28 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 2qry s VAL 244 Cb -0.15 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 2qry s VAL 244 CO 0.05 0.10 0.84 -1.61 0.00 0.00 0.00 175.10 174.48 2qry s GLU 245 N 1.26 4.32 0.26 2.72 2.02 -0.32 -1.12 118.70 127.84 2qry s GLU 245 Ca -0.04 1.04 0.01 0.00 0.02 0.00 0.00 54.97 55.99 2qry s GLU 245 Cb -0.18 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 2qry s GLU 245 CO -0.07 0.24 0.12 0.14 0.02 0.00 0.00 175.26 175.71 2qry s VAL 246 N -1.75 0.35 0.05 2.63 -7.23 0.51 -1.06 120.40 113.91 2qry s VAL 246 Ca 0.51 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2qry s VAL 246 Cb -0.15 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2qry s VAL 246 CO 0.20 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.95 2qry s ALA 247 N -3.82 0.54 -0.09 1.32 0.00 -0.74 -1.61 121.76 117.36 2qry s ALA 247 Ca 0.38 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 2qry s ALA 247 Cb 0.07 0.24 0.07 0.00 0.00 0.00 0.00 23.12 23.49 2qry s ALA 247 CO 0.14 -0.33 0.66 0.00 0.00 0.00 0.00 175.76 176.24 2qry s ALA 248 N -3.61 -1.69 0.19 0.00 0.00 -0.81 -1.11 121.76 114.74 2qry s ALA 248 Ca 0.05 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 2qry s ALA 248 Cb 0.06 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 2qry s ALA 248 CO -0.08 -0.35 0.55 -0.98 0.00 0.00 0.00 175.76 174.89 2qry s ARG 249 N -0.86 3.88 0.38 0.00 1.70 -1.26 -1.76 118.95 121.02 2qry s ARG 249 Ca -0.09 0.37 -0.25 0.00 -0.47 0.00 0.00 55.73 55.29 2qry s ARG 249 Cb -0.01 -2.78 -0.09 0.00 -0.57 0.00 0.00 34.95 31.50 2qry s ARG 249 CO 0.08 0.39 1.02 0.95 -1.08 0.00 0.00 175.30 176.66 2qry s THR 250 N -1.65 3.88 0.34 4.99 -4.23 -0.22 -1.13 115.64 117.62 2qry s THR 250 Ca 0.43 1.47 0.11 0.00 -1.18 0.00 0.00 61.69 62.52 2qry s THR 250 Cb -0.13 -3.77 0.07 0.00 1.34 0.00 0.00 72.50 70.01 2qry s THR 250 CO 0.20 0.03 1.78 0.00 -0.54 0.00 0.00 174.62 176.09 2qry h ALA 251 N 2.68 1.28 -0.01 3.99 0.00 -0.88 -2.78 119.26 123.55 2qry h ALA 251 Ca -0.48 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2qry h ALA 251 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qry h ALA 251 CO 0.63 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 180.32 2qry n ALA 252 N -2.47 2.76 -1.66 0.00 0.00 -1.26 -4.93 120.51 112.95 2qry n ALA 252 Ca -0.02 -0.34 -0.46 0.00 0.00 0.00 0.00 53.44 52.62 2qry n ALA 252 Cb 0.44 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 2qry n ALA 252 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qry n SER 253 N -0.54 2.82 -0.91 0.00 2.88 -1.05 -4.85 113.62 111.97 2qry n SER 253 Ca 0.17 1.11 0.03 0.00 -1.33 0.00 0.00 58.87 58.84 2qry n SER 253 Cb 0.29 -1.40 0.14 0.00 -0.75 0.00 0.00 64.21 62.49 2qry n SER 253 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qry n LYS 254 N 2.79 2.24 -2.87 -1.46 5.02 -1.26 -4.04 118.16 118.58 2qry n LYS 254 Ca 0.15 -1.07 -0.12 0.00 -2.02 0.00 0.00 58.31 55.25 2qry n LYS 254 Cb 0.29 -1.68 0.04 0.00 -0.02 0.00 0.00 35.03 33.66 2qry n LYS 254 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qry n GLN 255 N 0.22 1.06 0.05 1.97 6.02 -1.26 -4.97 117.38 120.47 2qry n GLN 255 Ca 0.09 -2.75 0.17 0.00 -0.01 0.00 0.00 57.00 54.51 2qry n GLN 255 Cb 0.52 -1.16 0.68 0.00 1.02 0.00 0.00 30.24 31.30 2qry n GLN 255 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2qry h PRO 256 N 2.84 0.01 0.36 -1.09 0.13 -1.93 -1.44 132.00 130.87 2qry h PRO 256 Ca -0.06 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2qry h PRO 256 Cb 1.11 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qry h PRO 256 CO 0.32 0.00 -0.17 0.93 -0.23 0.00 0.00 178.00 178.85 2qry h GLU 257 N 0.01 -0.46 -0.76 0.86 3.07 -1.95 -1.48 114.58 113.87 2qry h GLU 257 Ca 0.20 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.11 2qry h GLU 257 Cb 0.79 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.77 2qry h GLU 257 CO -0.00 -0.16 0.49 1.25 -1.40 0.00 0.00 179.01 179.19 2qry h LEU 258 N -0.99 0.84 -0.62 1.33 6.46 -1.95 -0.36 115.31 120.02 2qry h LEU 258 Ca -0.05 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2qry h LEU 258 Cb 0.51 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2qry h LEU 258 CO 0.08 0.60 0.40 0.00 -0.62 0.00 0.00 178.44 178.91 2qry h ALA 259 N 1.29 0.79 -0.48 1.25 0.00 -1.33 0.64 119.26 121.42 2qry h ALA 259 Ca 0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2qry h ALA 259 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2qry h ALA 259 CO -0.08 0.19 0.11 0.37 0.00 0.00 0.00 179.25 179.85 2qry h GLN 260 N 0.82 0.78 -0.90 0.00 -0.00 -0.82 -1.95 115.11 113.04 2qry h GLN 260 Ca 0.23 -0.19 0.05 0.00 -0.00 0.00 0.00 58.65 58.74 2qry h GLN 260 Cb -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 27.48 27.26 2qry h GLN 260 CO -0.07 0.76 0.59 -0.22 0.00 0.00 0.00 178.83 179.89 2qry h LYS 261 N 0.66 1.05 -0.28 1.69 3.64 -0.40 -1.52 116.57 121.41 2qry h LYS 261 Ca 0.15 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 2qry h LYS 261 Cb 0.34 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2qry h LYS 261 CO 0.00 0.69 -0.44 0.35 -2.27 0.00 0.00 179.45 177.79 2qry h PHE 262 N 1.08 0.84 -0.18 1.91 3.04 -0.50 -1.73 116.94 121.40 2qry h PHE 262 Ca 0.37 -0.26 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 2qry h PHE 262 Cb 0.09 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 2qry h PHE 262 CO -0.00 1.01 -0.21 -0.07 -2.02 0.00 0.00 178.31 177.02 2qry h LEU 263 N 0.56 0.30 -0.01 0.59 3.38 -0.56 -2.88 115.31 116.70 2qry h LEU 263 Ca 0.04 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 2qry h LEU 263 Cb 0.98 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.67 2qry h LEU 263 CO 0.09 0.53 -1.10 -0.61 0.09 0.00 0.00 178.44 177.44 2qry h GLN 264 N 0.28 0.52 -2.05 1.13 5.75 -1.19 -3.28 115.11 116.28 2qry h GLN 264 Ca 0.05 -0.64 -0.00 0.00 -0.15 0.00 0.00 58.65 57.91 2qry h GLN 264 Cb 0.54 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.28 2qry h GLN 264 CO 0.04 1.25 0.02 0.34 -2.65 0.00 0.00 178.83 177.83 2qry n PHE 265 N -3.75 0.00 0.00 3.99 -0.00 -0.66 -2.85 117.46 114.18 2qry n PHE 265 Ca -0.10 -0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.04 2qry n PHE 265 Cb 0.92 -0.36 0.00 0.00 -0.00 0.00 0.00 39.48 40.04 2qry n PHE 265 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2qry n VAL 267 N 1.92 0.00 -1.58 -2.13 0.31 -1.24 -4.04 118.33 111.57 2qry n VAL 267 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.04 2qry n VAL 267 Cb 0.16 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.17 2qry n VAL 267 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qry s SER 268 N 0.00 4.69 0.52 4.52 1.04 -1.13 -4.73 113.70 118.61 2qry s SER 268 Ca 0.00 1.34 0.19 0.00 0.48 0.00 0.00 55.95 57.96 2qry s SER 268 Cb 0.00 -2.10 1.32 0.00 0.10 0.00 0.00 66.02 65.34 2qry s SER 268 CO 0.00 -1.85 2.10 -0.65 0.98 0.00 0.00 173.24 173.83 2qry h PRO 269 N -1.00 0.00 -1.00 4.02 0.11 -1.95 -0.94 132.00 131.24 2qry h PRO 269 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2qry h PRO 269 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 2qry h PRO 269 CO 0.59 0.00 0.66 0.00 -0.21 0.00 0.00 178.00 179.05 2qry h ALA 270 N 1.92 1.29 0.00 -0.75 0.00 -1.92 -0.15 119.26 119.65 2qry h ALA 270 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2qry h ALA 270 Cb 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qry h ALA 270 CO -0.00 0.66 -0.32 0.35 0.00 0.00 0.00 179.25 179.93 2qry h PHE 271 N 1.35 0.00 -0.94 0.00 3.57 -1.57 -3.39 116.94 115.97 2qry h PHE 271 Ca 0.37 0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.07 2qry h PHE 271 Cb -0.15 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.52 2qry h PHE 271 CO -0.00 0.76 0.61 1.96 -2.23 0.00 0.00 178.31 179.41 2qry h GLN 272 N -1.00 0.47 0.00 1.11 1.08 -1.12 -0.80 115.11 114.85 2qry h GLN 272 Ca -0.07 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2qry h GLN 272 Cb 0.78 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2qry h GLN 272 CO -0.04 0.31 0.00 -0.91 -0.95 0.00 0.00 178.83 177.24 2qry h ASN 273 N 0.49 0.00 1.00 1.46 2.35 -1.20 -1.52 115.58 118.15 2qry h ASN 273 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 2qry h ASN 273 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2qry h ASN 273 CO -0.22 0.00 -0.53 0.00 -1.65 0.00 0.00 177.43 175.02 2qry h ALA 274 N 2.04 0.65 0.06 -0.83 0.00 -1.35 -3.39 119.26 116.45 2qry h ALA 274 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qry h ALA 274 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qry h ALA 274 CO 0.00 0.00 -0.03 0.82 0.00 0.00 0.00 179.25 180.04 2qry h ILE 275 N 0.00 1.12 -0.39 0.00 1.08 -1.31 -0.49 117.51 117.52 2qry h ILE 275 Ca 0.00 -0.59 0.08 0.00 -0.39 0.00 0.00 64.86 63.97 2qry h ILE 275 Cb 0.77 1.50 -0.09 0.00 -3.07 0.00 0.00 36.82 35.93 2qry h ILE 275 CO 0.00 0.15 -0.21 -0.65 -0.69 0.00 0.00 178.15 176.75 2qry h PRO 276 N -0.34 -0.14 -0.02 2.37 0.11 -1.75 0.23 132.00 132.46 2qry h PRO 276 Ca -0.01 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qry h PRO 276 Cb 0.30 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2qry h PRO 276 CO 0.01 -0.09 -0.13 0.25 -0.21 0.00 0.00 178.00 177.83 2qry n THR 277 N -5.38 0.00 -0.11 -1.15 -2.24 -1.25 -2.25 114.28 101.89 2qry n THR 277 Ca 0.02 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 2qry n THR 277 Cb 0.29 1.33 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 2qry n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qry n GLY 278 N 1.35 -0.54 0.07 3.38 0.00 -0.19 -4.62 105.19 104.64 2qry n GLY 278 Ca 0.13 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.11 2qry n GLY 278 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qry n ASN 279 N -4.01 0.74 -3.06 1.61 5.15 0.77 -3.37 115.26 113.09 2qry n ASN 279 Ca -0.45 -0.87 -0.09 0.00 -0.60 0.00 0.00 54.58 52.56 2qry n ASN 279 Cb 0.88 0.86 0.01 0.00 -0.53 0.00 0.00 39.78 41.00 2qry n ASN 279 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2qry n TRP 280 N -0.99 -3.13 -3.94 1.20 7.02 -0.87 -5.02 117.44 111.71 2qry n TRP 280 Ca 0.03 1.24 -0.35 0.00 -1.02 0.00 0.00 57.50 57.41 2qry n TRP 280 Cb 0.19 -3.78 -0.09 0.00 -2.42 0.00 0.00 31.31 25.21 2qry n TRP 280 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 2qry s TYR 282 N -2.67 3.30 0.59 -5.99 2.02 0.00 -4.53 117.35 110.07 2qry s TYR 282 Ca 0.16 0.15 -0.16 0.00 -0.37 0.00 0.00 57.07 56.84 2qry s TYR 282 Cb -0.04 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 2qry s TYR 282 CO 0.78 0.21 1.06 -1.25 -1.57 0.00 0.00 175.55 174.78 2qry s PRO 283 N 0.31 3.30 0.00 -1.71 0.04 -1.26 -0.47 135.00 135.21 2qry s PRO 283 Ca 0.05 1.23 0.27 0.00 0.04 0.00 0.00 61.00 62.58 2qry s PRO 283 Cb -0.12 -2.03 0.87 0.00 0.04 0.00 0.00 34.50 33.27 2qry s PRO 283 CO -0.00 -0.83 1.66 1.55 0.04 0.00 0.00 177.00 179.41 2qry n VAL 284 N -2.01 0.00 -4.15 -0.36 3.14 -1.25 -4.81 118.33 108.89 2qry n VAL 284 Ca 0.09 -0.03 -0.26 0.00 -2.96 0.00 0.00 64.34 61.18 2qry n VAL 284 Cb 0.53 0.02 -0.07 0.00 -1.06 0.00 0.00 33.84 33.27 2qry n VAL 284 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qry s ALA 285 N -2.80 3.38 -1.22 1.55 0.00 -1.26 -0.71 121.76 120.70 2qry s ALA 285 Ca 0.18 -1.31 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 2qry s ALA 285 Cb 0.19 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2qry s ALA 285 CO 0.58 0.48 1.89 -1.71 0.00 0.00 0.00 175.76 177.00 2qry n ASN 286 N -0.28 3.87 -4.80 0.00 4.05 -1.26 -4.90 115.26 111.94 2qry n ASN 286 Ca -0.09 -2.80 -0.23 0.00 0.45 0.00 0.00 54.58 51.91 2qry n ASN 286 Cb 0.55 -1.66 -0.05 0.00 1.23 0.00 0.00 39.78 39.84 2qry n ASN 286 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qry s VAL 287 N 6.62 2.42 0.27 3.44 0.11 -1.26 -5.10 120.40 126.90 2qry s VAL 287 Ca 0.59 -1.55 -0.29 0.00 -2.93 0.00 0.00 61.98 57.79 2qry s VAL 287 Cb 0.05 -2.97 -0.09 0.00 -1.53 0.00 0.00 36.38 31.83 2qry s VAL 287 CO 0.08 0.00 1.09 -0.89 -3.33 0.00 0.00 175.10 172.06 2qry s THR 288 N -2.56 3.53 -0.08 5.04 2.01 -1.26 -5.05 115.64 117.28 2qry s THR 288 Ca 0.44 1.53 -0.03 0.00 0.31 0.00 0.00 61.69 63.94 2qry s THR 288 Cb 0.01 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2qry s THR 288 CO 0.25 0.36 0.06 -0.76 -0.69 0.00 0.00 174.62 173.83 2qry s LEU 289 N -1.37 3.88 0.97 4.42 1.43 -1.26 -4.96 118.68 121.78 2qry s LEU 289 Ca 0.45 0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 2qry s LEU 289 Cb -0.32 -1.98 0.17 0.00 0.03 0.00 0.00 46.19 44.10 2qry s LEU 289 CO 0.40 0.37 1.09 -2.16 0.23 0.00 0.00 176.35 176.28 2qry s PRO 290 N -1.08 0.68 -0.36 1.29 0.04 -1.26 -4.93 135.00 129.38 2qry s PRO 290 Ca 0.16 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.81 2qry s PRO 290 Cb -0.12 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.70 2qry s PRO 290 CO 0.05 -2.66 1.28 0.00 0.04 0.00 0.00 177.00 175.71 2qry s ALA 291 N -2.79 3.26 0.00 8.56 0.00 -1.26 -3.06 121.76 126.47 2qry s ALA 291 Ca 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2qry s ALA 291 Cb -0.20 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.09 2qry s ALA 291 CO 0.59 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.77 2qry n GLY 292 N 4.55 2.10 0.27 0.00 0.00 -1.26 -4.64 105.19 106.22 2qry n GLY 292 Ca 0.14 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2qry n GLY 292 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2qry h PHE 293 N 0.00 0.00 -0.00 1.61 0.05 -1.91 -1.05 116.94 115.64 2qry h PHE 293 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2qry h PHE 293 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 2qry h PHE 293 CO 0.00 0.08 -0.02 0.39 -0.18 0.00 0.00 178.31 178.58 2qry n GLU 294 N -3.32 0.86 0.00 1.51 -0.58 -1.26 -2.18 120.64 115.66 2qry n GLU 294 Ca -0.01 -0.11 0.11 0.00 -0.42 0.00 0.00 57.16 56.73 2qry n GLU 294 Cb 0.27 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2qry n GLU 294 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qry n LYS 295 N -0.98 1.02 -2.20 3.49 5.02 -0.40 -4.96 118.16 119.15 2qry n LYS 295 Ca 0.20 -0.83 -0.28 0.00 -2.02 0.00 0.00 58.31 55.38 2qry n LYS 295 Cb 0.19 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 2qry n LYS 295 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qry s LEU 296 N -2.56 3.12 -0.17 -0.35 1.43 -0.93 -5.08 118.68 114.14 2qry s LEU 296 Ca 0.17 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2qry s LEU 296 Cb 0.18 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.71 2qry s LEU 296 CO 0.61 -1.15 -0.20 -0.89 0.23 0.00 0.00 176.35 174.95 2qry s THR 297 N -3.13 2.09 0.01 5.49 2.01 -1.26 -5.06 115.64 115.79 2qry s THR 297 Ca 0.55 -0.94 -0.27 0.00 0.31 0.00 0.00 61.69 61.34 2qry s THR 297 Cb -0.11 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2qry s THR 297 CO 0.48 0.54 0.85 -0.54 -0.69 0.00 0.00 174.62 175.26 2qry s LYS 298 N 1.18 4.53 0.22 4.92 1.02 -1.26 -4.97 119.74 125.39 2qry s LYS 298 Ca 0.02 1.20 -0.32 0.00 0.02 0.00 0.00 55.97 56.89 2qry s LYS 298 Cb -0.14 -3.42 -0.13 0.00 -0.52 0.00 0.00 37.83 33.63 2qry s LYS 298 CO -0.10 0.10 1.59 -0.35 -0.92 0.00 0.00 175.35 175.66 2qry n PRO 299 N 3.44 2.43 0.24 -1.68 -0.04 -1.26 -4.88 135.00 133.25 2qry n PRO 299 Ca 0.02 0.87 0.10 0.00 -0.04 0.00 0.00 63.50 64.45 2qry n PRO 299 Cb 0.51 -2.64 0.60 0.00 -0.04 0.00 0.00 33.50 31.92 2qry n PRO 299 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qry h ALA 300 N 5.50 1.25 -3.54 0.55 0.00 -1.94 -3.42 119.26 117.67 2qry h ALA 300 Ca -0.45 -0.17 -0.44 0.00 0.00 0.00 0.00 54.91 53.85 2qry h ALA 300 Cb 1.24 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.67 2qry h ALA 300 CO 0.86 0.24 -0.79 0.99 0.00 0.00 0.00 179.25 180.55 2qry s THR 301 N -4.08 0.73 -0.07 0.00 2.01 -1.26 -5.08 115.64 107.89 2qry s THR 301 Ca -0.02 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 2qry s THR 301 Cb 0.13 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2qry s THR 301 CO 0.62 0.26 0.01 -0.89 -0.69 0.00 0.00 174.62 173.93 2qry s THR 302 N 0.66 4.35 0.16 -0.82 2.01 -1.26 -0.23 115.64 120.51 2qry s THR 302 Ca -0.10 -0.28 0.10 0.00 0.31 0.00 0.00 61.69 61.72 2qry s THR 302 Cb -0.13 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2qry s THR 302 CO 0.01 0.57 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.54 2qry s LEU 303 N -1.00 2.54 -0.27 4.42 1.43 -0.16 -4.85 118.68 120.79 2qry s LEU 303 Ca 0.14 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.24 2qry s LEU 303 Cb -0.11 -1.32 0.15 0.00 0.03 0.00 0.00 46.19 44.94 2qry s LEU 303 CO 0.04 0.14 1.20 -0.70 0.23 0.00 0.00 176.35 177.26 2qry s GLU 304 N -2.47 0.32 0.15 1.70 2.56 -1.26 -2.17 118.70 117.52 2qry s GLU 304 Ca 0.19 0.29 0.07 0.00 0.00 0.00 0.00 54.97 55.52 2qry s GLU 304 Cb -0.09 0.15 -0.04 0.00 2.00 0.00 0.00 34.13 36.15 2qry s GLU 304 CO 0.10 -0.06 -0.03 -0.06 -0.56 0.00 0.00 175.26 174.65 2qry s PHE 305 N -0.17 2.81 0.48 5.30 2.99 -1.26 -5.11 117.98 123.03 2qry s PHE 305 Ca 0.05 -0.14 -0.20 0.00 0.00 0.00 0.00 56.93 56.64 2qry s PHE 305 Cb -0.04 -1.40 -0.09 0.00 0.00 0.00 0.00 43.02 41.49 2qry s PHE 305 CO -0.09 0.49 1.01 0.95 -0.00 0.00 0.00 175.22 177.58 2qry s THR 306 N -1.55 4.06 0.27 0.64 -4.23 -1.26 -4.88 115.64 108.68 2qry s THR 306 Ca 0.26 1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 61.98 2qry s THR 306 Cb -0.10 -3.52 0.25 0.00 1.34 0.00 0.00 72.50 70.48 2qry s THR 306 CO 0.17 -0.34 1.73 -0.65 -0.54 0.00 0.00 174.62 174.99 2qry h PRO 307 N 1.49 0.47 -0.38 3.99 0.11 -1.90 -0.67 132.00 135.12 2qry h PRO 307 Ca -0.49 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.65 2qry h PRO 307 Cb 1.20 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 2qry h PRO 307 CO 0.60 0.31 0.10 0.00 -0.21 0.00 0.00 178.00 178.80 2qry h ALA 308 N 1.61 0.42 -0.51 -0.75 0.00 -1.92 -0.91 119.26 117.21 2qry h ALA 308 Ca 0.48 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.46 2qry h ALA 308 Cb 0.80 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2qry h ALA 308 CO -0.44 -0.30 0.33 0.93 0.00 0.00 0.00 179.25 179.78 2qry h GLU 309 N 0.24 0.66 -0.13 0.00 5.08 -1.52 -2.07 114.58 116.84 2qry h GLU 309 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2qry h GLU 309 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2qry h GLU 309 CO -0.21 0.44 0.08 0.28 -1.00 0.00 0.00 179.01 178.59 2qry h VAL 310 N 0.68 1.02 -0.83 3.13 2.07 -0.78 -2.74 116.25 118.80 2qry h VAL 310 Ca 0.19 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2qry h VAL 310 Cb -0.07 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2qry h VAL 310 CO -0.05 0.03 0.54 0.00 0.02 0.00 0.00 177.57 178.11 2qry h ALA 311 N 1.05 1.10 0.00 1.67 0.00 -1.01 0.47 119.26 122.55 2qry h ALA 311 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qry h ALA 311 Cb -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2qry h ALA 311 CO -0.02 0.37 -0.15 0.00 0.00 0.00 0.00 179.25 179.45 2qry h ALA 312 N 1.35 0.99 0.00 0.00 0.00 -1.23 -3.36 119.26 117.01 2qry h ALA 312 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qry h ALA 312 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qry h ALA 312 CO -0.11 0.18 0.00 1.04 0.00 0.00 0.00 179.25 180.36 2qry n GLN 313 N -3.26 -0.65 -0.11 0.00 1.13 -1.04 -4.80 117.38 108.66 2qry n GLN 313 Ca 0.01 -0.41 -0.08 0.00 -1.94 0.00 0.00 57.00 54.58 2qry n GLN 313 Cb 0.42 -0.91 0.08 0.00 0.11 0.00 0.00 30.24 29.94 2qry n GLN 313 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2qry h ARG 314 N 0.00 0.83 -0.17 -1.09 0.11 -1.06 -1.95 114.38 111.05 2qry h ARG 314 Ca 0.00 -0.31 0.01 0.00 0.10 0.00 0.00 59.98 59.78 2qry h ARG 314 Cb 0.08 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 2qry h ARG 314 CO 0.00 0.94 0.09 0.37 0.10 0.00 0.00 179.97 181.46 2qry h GLN 315 N 0.74 0.18 -0.45 0.08 4.15 -1.84 0.24 115.11 118.20 2qry h GLN 315 Ca 0.11 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 2qry h GLN 315 Cb 0.68 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 2qry h GLN 315 CO 0.05 0.12 -0.05 0.00 -1.93 0.00 0.00 178.83 177.01 2qry h ALA 316 N 1.08 1.06 -0.05 3.38 0.00 -1.88 -1.31 119.26 121.53 2qry h ALA 316 Ca 0.07 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2qry h ALA 316 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qry h ALA 316 CO -0.04 0.58 -0.56 -1.49 0.00 0.00 0.00 179.25 177.74 2qry h TRP 317 N 0.71 0.20 -0.17 0.00 6.55 -0.88 -1.29 115.95 121.08 2qry h TRP 317 Ca 0.13 -0.07 -0.22 0.00 0.95 0.00 0.00 58.89 59.68 2qry h TRP 317 Cb 0.51 -0.04 0.01 0.00 -0.86 0.00 0.00 29.16 28.78 2qry h TRP 317 CO 0.03 0.68 -0.77 0.82 -1.05 0.00 0.00 178.44 178.15 2qry h ILE 318 N 0.12 1.27 -0.59 1.49 2.04 -0.30 -0.57 117.51 120.97 2qry h ILE 318 Ca -0.00 -1.95 -0.00 0.00 1.00 0.00 0.00 64.86 63.90 2qry h ILE 318 Cb 1.02 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 2qry h ILE 318 CO 0.08 0.62 0.35 -1.28 0.00 0.00 0.00 178.15 177.92 2qry h SER 319 N 0.56 0.71 -0.58 1.72 0.87 -1.13 0.17 113.55 115.87 2qry h SER 319 Ca -0.05 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 2qry h SER 319 Cb 1.39 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2qry h SER 319 CO 0.16 0.57 0.17 -0.33 -0.53 0.00 0.00 176.83 176.87 2qry h GLU 320 N 0.79 0.91 0.39 2.24 5.08 -1.17 -2.16 114.58 120.67 2qry h GLU 320 Ca 0.21 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2qry h GLU 320 Cb -0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2qry h GLU 320 CO -0.04 0.82 -0.19 2.35 -1.00 0.00 0.00 179.01 180.96 2qry h TRP 321 N 0.82 -0.49 -0.82 4.33 7.01 -0.56 -2.09 115.95 124.15 2qry h TRP 321 Ca 0.19 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.23 2qry h TRP 321 Cb 0.30 0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.47 2qry h TRP 321 CO 0.02 -0.28 0.51 0.37 -2.79 0.00 0.00 178.44 176.27 2qry h GLN 322 N -0.57 0.92 -0.14 2.65 4.15 -0.63 -0.83 115.11 120.65 2qry h GLN 322 Ca -0.05 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 2qry h GLN 322 Cb 0.43 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2qry h GLN 322 CO 0.09 0.61 0.08 -0.09 -1.93 0.00 0.00 178.83 177.59 2qry h ARG 323 N 0.94 0.19 -0.40 1.69 2.43 -1.34 -2.52 114.38 115.38 2qry h ARG 323 Ca 0.35 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 2qry h ARG 323 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2qry h ARG 323 CO -0.16 0.18 0.12 0.00 -1.51 0.00 0.00 179.97 178.61 2qry h ALA 324 N 1.00 1.46 -0.03 2.80 0.00 -0.63 -3.20 119.26 120.66 2qry h ALA 324 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qry h ALA 324 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qry h ALA 324 CO -0.01 0.40 -0.13 1.33 0.00 0.00 0.00 179.25 180.85 2qry n VAL 325 N -4.35 0.00 -3.78 0.00 0.24 -0.39 -4.13 118.33 105.92 2qry n VAL 325 Ca 0.03 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.34 61.55 2qry n VAL 325 Cb 0.17 1.43 -0.05 0.00 -1.47 0.00 0.00 33.84 33.92 2qry n VAL 325 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2qry s SER 326 N -2.13 6.47 0.00 -1.34 0.01 -0.95 -4.96 113.70 110.80 2qry s SER 326 Ca 0.26 0.51 0.26 0.00 1.31 0.00 0.00 55.95 58.29 2qry s SER 326 Cb 0.20 -2.07 1.56 0.00 0.21 0.00 0.00 66.02 65.92 2qry s SER 326 CO 0.37 0.23 1.91 0.54 0.41 0.00 0.00 173.24 176.71