#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgt s PRO 2 N 0.00 2.00 0.58 -0.24 0.04 -1.26 -4.60 135.00 131.52 1cgt s PRO 2 Ca 0.00 0.70 0.28 0.00 0.04 0.00 0.00 61.00 62.02 1cgt s PRO 2 Cb 0.00 -1.90 1.52 0.00 0.04 0.00 0.00 34.50 34.15 1cgt s PRO 2 CO 0.00 -1.70 1.96 0.38 0.04 0.00 0.00 177.00 177.68 1cgt h ASP 3 N -1.15 0.00 0.61 6.66 2.03 -1.93 -1.93 116.42 120.71 1cgt h ASP 3 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1cgt h ASP 3 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1cgt h ASP 3 CO 0.58 0.00 -0.51 0.41 -1.03 0.00 0.00 179.24 178.70 1cgt n THR 4 N -3.81 0.08 -2.17 1.15 -1.04 -1.26 -4.78 114.28 102.45 1cgt n THR 4 Ca 0.07 -0.06 -0.35 0.00 -2.04 0.00 0.00 64.05 61.67 1cgt n THR 4 Cb 0.58 0.12 0.01 0.00 -1.82 0.00 0.00 70.33 69.22 1cgt n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cgt s ALA 5 N -3.04 2.64 0.64 2.41 0.00 -0.73 -4.89 121.76 118.79 1cgt s ALA 5 Ca 0.10 0.86 0.36 0.00 0.00 0.00 0.00 51.96 53.28 1cgt s ALA 5 Cb 0.17 -3.38 2.03 0.00 0.00 0.00 0.00 23.12 21.94 1cgt s ALA 5 CO 0.70 -0.90 2.23 -0.24 0.00 0.00 0.00 175.76 177.54 1cgt h VAL 6 N 1.05 0.21 0.00 0.00 3.04 -1.90 -1.61 116.25 117.04 1cgt h VAL 6 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1cgt h VAL 6 Cb 1.27 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1cgt h VAL 6 CO 0.56 0.00 0.00 0.74 -1.01 0.00 0.00 177.57 177.86 1cgt h THR 7 N 0.00 0.00 -0.95 3.17 2.02 -1.92 -3.41 112.91 111.82 1cgt h THR 7 Ca 0.02 -0.30 -0.58 0.00 0.77 0.00 0.00 66.41 66.32 1cgt h THR 7 Cb 0.20 1.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 1cgt h THR 7 CO -0.00 0.00 1.64 0.21 0.37 0.00 0.00 175.52 177.74 1cgt s ASN 8 N -4.79 6.40 0.25 4.18 3.84 -0.61 -4.76 114.94 119.45 1cgt s ASN 8 Ca 0.02 -1.72 0.25 0.00 0.21 0.00 0.00 52.86 51.62 1cgt s ASN 8 Cb 0.09 -2.57 0.88 0.00 -0.55 0.00 0.00 41.25 39.09 1cgt s ASN 8 CO 0.43 -1.61 1.75 0.11 -2.79 0.00 0.00 177.10 175.00 1cgt h LYS 9 N 9.20 0.00 -0.00 0.43 1.57 -1.85 -3.31 116.57 122.61 1cgt h LYS 9 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1cgt h LYS 9 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1cgt h LYS 9 CO 1.41 0.00 -0.38 1.04 -0.57 0.00 0.00 179.45 180.94 1cgt n GLN 10 N -2.31 0.34 -3.73 3.15 3.00 -1.26 -0.57 117.38 115.99 1cgt n GLN 10 Ca 0.04 -0.19 -0.13 0.00 -0.01 0.00 0.00 57.00 56.71 1cgt n GLN 10 Cb 0.36 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.97 1cgt n GLN 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1cgt s SER 11 N -2.80 -0.25 0.00 1.08 0.15 -1.25 -4.52 113.70 106.12 1cgt s SER 11 Ca 0.17 0.50 0.10 0.00 0.70 0.00 0.00 55.95 57.41 1cgt s SER 11 Cb 0.18 0.39 0.29 0.00 -1.71 0.00 0.00 66.02 65.17 1cgt s SER 11 CO 0.62 -0.16 1.24 0.49 1.20 0.00 0.00 173.24 176.63 1cgt n PHE 12 N 4.13 0.44 -0.01 3.44 3.01 -1.26 -4.72 117.46 122.49 1cgt n PHE 12 Ca -0.24 -0.50 0.19 0.00 1.01 0.00 0.00 57.45 57.90 1cgt n PHE 12 Cb 0.53 -0.03 0.66 0.00 -0.01 0.00 0.00 39.48 40.64 1cgt n PHE 12 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1cgt h SER 13 N 1.90 0.05 -0.20 4.37 0.02 -1.87 0.33 113.55 118.16 1cgt h SER 13 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cgt h SER 13 Cb 0.72 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1cgt h SER 13 CO 0.00 0.03 0.00 0.35 -1.14 0.00 0.00 176.83 176.07 1cgt n THR 14 N -4.40 0.26 -3.70 -2.27 -2.24 -1.26 -4.56 114.28 96.11 1cgt n THR 14 Ca 0.10 -0.41 -0.21 0.00 -2.27 0.00 0.00 64.05 61.26 1cgt n THR 14 Cb 0.56 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1cgt n THR 14 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1cgt s ASP 15 N -1.54 5.34 -0.12 3.42 1.01 0.10 -3.76 116.67 121.13 1cgt s ASP 15 Ca 0.33 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.09 1cgt s ASP 15 Cb 0.18 -0.92 0.02 0.00 1.01 0.00 0.00 42.92 43.21 1cgt s ASP 15 CO 0.27 -0.43 -0.10 -0.69 0.21 0.00 0.00 175.17 174.42 1cgt s VAL 16 N -2.32 1.23 0.02 -1.27 1.01 -1.26 -4.33 120.40 113.48 1cgt s VAL 16 Ca 0.43 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1cgt s VAL 16 Cb -0.06 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 1cgt s VAL 16 CO 0.28 0.40 0.38 -0.63 0.00 0.00 0.00 175.10 175.53 1cgt s ILE 17 N 1.52 5.09 -0.25 2.22 1.01 -0.26 -1.39 121.20 129.14 1cgt s ILE 17 Ca 0.03 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1cgt s ILE 17 Cb -0.13 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.71 1cgt s ILE 17 CO -0.08 0.47 -0.09 -0.47 0.00 0.00 0.00 174.94 174.77 1cgt s TYR 18 N -1.20 3.10 -0.28 3.97 5.04 -0.16 -0.19 117.35 127.63 1cgt s TYR 18 Ca 0.27 -1.82 -0.20 0.00 -2.44 0.00 0.00 57.07 52.88 1cgt s TYR 18 Cb -0.15 -2.01 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 1cgt s TYR 18 CO 0.14 -0.79 0.62 -1.14 -1.34 0.00 0.00 175.55 173.05 1cgt s GLN 19 N 1.25 4.01 -0.03 4.97 0.74 0.48 -0.82 119.66 130.26 1cgt s GLN 19 Ca -0.02 0.42 0.04 0.00 0.05 0.00 0.00 55.36 55.85 1cgt s GLN 19 Cb -0.17 -3.69 -0.00 0.00 1.10 0.00 0.00 33.01 30.25 1cgt s GLN 19 CO -0.06 -0.48 -0.14 0.54 -0.55 0.00 0.00 175.29 174.60 1cgt s VAL 20 N 2.55 1.19 -0.49 1.34 0.11 0.06 -0.41 120.40 124.75 1cgt s VAL 20 Ca 0.25 -0.60 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 1cgt s VAL 20 Cb -0.15 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1cgt s VAL 20 CO 0.10 0.35 1.27 -0.36 -3.33 0.00 0.00 175.10 173.13 1cgt s PHE 21 N -0.01 2.58 0.31 1.54 0.40 -1.26 -3.36 117.98 118.18 1cgt s PHE 21 Ca -0.01 0.61 0.08 0.00 -0.60 0.00 0.00 56.93 57.00 1cgt s PHE 21 Cb -0.09 -4.42 0.83 0.00 0.51 0.00 0.00 43.02 39.84 1cgt s PHE 21 CO 0.01 -1.64 1.74 1.15 0.70 0.00 0.00 175.22 177.18 1cgt h THR 22 N 6.31 0.59 0.00 0.64 2.02 -1.91 -0.23 112.91 120.33 1cgt h THR 22 Ca -0.25 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1cgt h THR 22 Cb 1.08 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1cgt h THR 22 CO 1.14 0.11 -0.16 -0.78 0.37 0.00 0.00 175.52 176.20 1cgt h ASP 23 N 0.63 0.00 -0.38 4.18 3.58 -1.80 -3.09 116.42 119.54 1cgt h ASP 23 Ca 0.62 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.07 1cgt h ASP 23 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1cgt h ASP 23 CO -0.45 0.16 0.00 0.54 -2.88 0.00 0.00 179.24 176.61 1cgt n ARG 24 N -4.18 2.39 0.00 0.28 5.12 -0.11 -0.98 116.66 119.18 1cgt n ARG 24 Ca -0.02 -2.19 0.00 0.00 -1.93 0.00 0.00 57.85 53.71 1cgt n ARG 24 Cb 0.23 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 1cgt n ARG 24 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1cgt n PHE 25 N 1.31 0.00 -3.68 -1.55 7.35 -1.17 -0.26 117.46 119.47 1cgt n PHE 25 Ca 0.18 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.75 1cgt n PHE 25 Cb 0.56 -0.04 -0.12 0.00 0.35 0.00 0.00 39.48 40.22 1cgt n PHE 25 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1cgt s LEU 26 N -4.27 -0.24 -0.97 -2.13 0.20 -1.26 -4.41 118.68 105.60 1cgt s LEU 26 Ca 0.00 0.69 -0.24 0.00 0.69 0.00 0.00 54.13 55.27 1cgt s LEU 26 Cb 0.00 0.90 0.02 0.00 -0.43 0.00 0.00 46.19 46.68 1cgt s LEU 26 CO 0.00 -0.22 1.60 -0.62 -0.29 0.00 0.00 176.35 176.82 1cgt s ASP 27 N 2.18 6.06 0.09 3.68 2.15 -1.26 -1.95 116.67 127.62 1cgt s ASP 27 Ca -0.02 -1.15 0.27 0.00 0.43 0.00 0.00 52.55 52.07 1cgt s ASP 27 Cb -0.11 -2.57 0.82 0.00 -0.30 0.00 0.00 42.92 40.76 1cgt s ASP 27 CO -0.10 -1.91 1.69 0.61 -0.17 0.00 0.00 175.17 175.29 1cgt n GLY 28 N 6.81 -1.51 2.74 2.66 0.00 -1.26 -4.55 105.19 110.08 1cgt n GLY 28 Ca 0.34 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1cgt n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cgt s ASN 29 N -3.73 1.37 0.63 1.61 3.04 -1.26 -4.70 114.94 111.89 1cgt s ASN 29 Ca 0.11 -1.47 0.38 0.00 0.04 0.00 0.00 52.86 51.92 1cgt s ASN 29 Cb 0.16 0.49 2.11 0.00 -1.54 0.00 0.00 41.25 42.47 1cgt s ASN 29 CO 0.61 -0.29 2.30 -0.65 -3.04 0.00 0.00 177.10 176.03 1cgt h PRO 30 N 7.28 0.00 0.00 0.43 0.11 -1.90 -3.00 132.00 134.92 1cgt h PRO 30 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1cgt h PRO 30 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1cgt h PRO 30 CO 0.23 0.01 0.00 0.77 -0.21 0.00 0.00 178.00 178.80 1cgt h SER 31 N 0.00 0.00 -0.37 -2.05 0.02 -1.99 -2.02 113.55 107.15 1cgt h SER 31 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cgt h SER 31 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1cgt h SER 31 CO 0.00 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.23 1cgt n ASN 32 N -2.54 3.06 -4.76 3.07 0.23 -1.13 -4.99 115.26 108.21 1cgt n ASN 32 Ca 0.01 -1.94 -0.36 0.00 -0.53 0.00 0.00 54.58 51.77 1cgt n ASN 32 Cb 0.25 -0.24 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 1cgt n ASN 32 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1cgt s ASN 33 N -1.45 5.32 0.91 0.53 -0.87 -0.76 -4.34 114.94 114.29 1cgt s ASN 33 Ca 0.38 2.34 -0.11 0.00 -1.57 0.00 0.00 52.86 53.89 1cgt s ASN 33 Cb 0.21 -2.59 0.14 0.00 -0.02 0.00 0.00 41.25 38.99 1cgt s ASN 33 CO 0.30 -1.50 1.10 -2.84 -2.57 0.00 0.00 177.10 171.60 1cgt s PRO 34 N -3.32 1.09 0.14 -0.60 0.02 -1.26 -5.05 135.00 126.03 1cgt s PRO 34 Ca 0.76 1.20 0.10 0.00 0.02 0.00 0.00 61.00 63.09 1cgt s PRO 34 Cb -0.29 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1cgt s PRO 34 CO 0.31 -2.46 -0.23 -0.08 -0.33 0.00 0.00 177.00 174.22 1cgt s THR 35 N -2.75 2.51 0.00 0.99 -1.32 -1.26 -4.58 115.64 109.23 1cgt s THR 35 Ca 0.65 -1.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.38 1cgt s THR 35 Cb -0.21 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1cgt s THR 35 CO 0.58 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.63 1cgt n GLY 36 N 0.67 0.33 0.21 6.08 0.00 -1.26 -3.71 105.19 107.50 1cgt n GLY 36 Ca -0.16 -1.02 0.15 0.00 0.00 0.00 0.00 46.02 44.99 1cgt n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgt h ALA 37 N 0.00 1.00 0.00 4.61 0.00 -2.04 -2.58 119.26 120.25 1cgt h ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cgt h ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1cgt h ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1cgt h ALA 38 N 2.14 1.00 -3.56 0.00 0.00 -1.94 -3.47 119.26 113.43 1cgt h ALA 38 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1cgt h ALA 38 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.14 1cgt h ALA 38 CO 0.00 0.00 -0.74 -0.47 0.00 0.00 0.00 179.25 178.04 1cgt s TYR 39 N -3.14 2.75 -0.25 0.00 5.04 -0.98 -1.25 117.35 119.52 1cgt s TYR 39 Ca 0.09 -0.15 -0.03 0.00 -2.44 0.00 0.00 57.07 54.55 1cgt s TYR 39 Cb 0.11 -1.44 0.11 0.00 0.35 0.00 0.00 41.96 41.09 1cgt s TYR 39 CO 0.58 0.42 0.21 0.34 -1.34 0.00 0.00 175.55 175.77 1cgt s ASP 40 N -2.17 2.13 0.37 4.32 -1.08 0.33 -4.88 116.67 115.69 1cgt s ASP 40 Ca 0.21 -0.72 0.06 0.00 -0.52 0.00 0.00 52.55 51.59 1cgt s ASP 40 Cb -0.11 0.18 0.76 0.00 -1.46 0.00 0.00 42.92 42.28 1cgt s ASP 40 CO 0.13 -0.38 1.97 0.00 0.52 0.00 0.00 175.17 177.41 1cgt h ALA 41 N 8.33 1.71 0.00 3.66 0.00 -1.87 0.98 119.26 132.07 1cgt h ALA 41 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1cgt h ALA 41 Cb 1.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1cgt h ALA 41 CO 0.34 0.18 -0.18 1.79 0.00 0.00 0.00 179.25 181.38 1cgt h THR 42 N 0.73 0.00 -6.05 0.00 1.35 -1.94 -3.48 112.91 103.52 1cgt h THR 42 Ca 0.30 -0.82 -0.42 0.00 -0.55 0.00 0.00 66.41 64.91 1cgt h THR 42 Cb 0.25 1.73 0.06 0.00 -1.73 0.00 0.00 68.15 68.45 1cgt h THR 42 CO -0.10 0.00 -0.76 0.00 -0.25 0.00 0.00 175.52 174.42 1cgt n SER 44 N -2.98 0.90 -4.29 0.00 3.41 -1.26 -4.68 113.62 104.72 1cgt n SER 44 Ca -0.09 -0.64 -0.41 0.00 -0.26 0.00 0.00 58.87 57.47 1cgt n SER 44 Cb 0.59 1.16 -0.10 0.00 -0.26 0.00 0.00 64.21 65.60 1cgt n SER 44 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1cgt s ASN 45 N -2.67 5.73 0.00 4.04 3.84 -1.26 -4.94 114.94 119.68 1cgt s ASN 45 Ca 0.03 -1.46 0.26 0.00 0.21 0.00 0.00 52.86 51.90 1cgt s ASN 45 Cb 0.10 -2.02 1.56 0.00 -0.55 0.00 0.00 41.25 40.34 1cgt s ASN 45 CO 0.59 -0.55 1.96 0.18 -2.79 0.00 0.00 177.10 176.49 1cgt n LEU 46 N 4.97 0.00 -0.13 3.21 4.32 -1.26 -2.38 117.00 125.73 1cgt n LEU 46 Ca -0.10 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.01 1cgt n LEU 46 Cb 0.43 0.00 0.27 0.00 -1.62 0.00 0.00 43.42 42.50 1cgt n LEU 46 CO 0.40 0.00 0.50 0.29 -1.22 0.00 0.00 177.39 177.36 1cgt n LYS 47 N -0.94 0.41 -3.33 3.23 4.76 -1.26 -4.89 118.16 116.14 1cgt n LYS 47 Ca 0.20 -0.26 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 1cgt n LYS 47 Cb 0.09 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1cgt n LYS 47 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1cgt s LEU 48 N -2.77 3.33 0.09 -0.35 1.43 -1.00 -1.96 118.68 117.45 1cgt s LEU 48 Ca 0.17 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 1cgt s LEU 48 Cb 0.18 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.29 1cgt s LEU 48 CO 0.63 -0.88 1.12 -0.31 0.23 0.00 0.00 176.35 177.14 1cgt s TYR 49 N -2.51 3.54 -0.81 0.29 2.02 -0.38 -4.87 117.35 114.63 1cgt s TYR 49 Ca 0.51 1.48 0.22 0.00 -0.37 0.00 0.00 57.07 58.91 1cgt s TYR 49 Cb -0.06 -3.31 -0.07 0.00 -0.40 0.00 0.00 41.96 38.12 1cgt s TYR 49 CO 0.31 -0.81 0.96 0.00 -1.57 0.00 0.00 175.55 174.44 1cgt n GLY 51 N 1.44 0.41 3.75 0.00 0.00 -1.25 -4.81 105.19 104.74 1cgt n GLY 51 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1cgt n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgt s GLY 52 N -1.21 2.83 0.27 -0.02 0.00 -0.15 -4.20 107.32 104.84 1cgt s GLY 52 Ca 0.00 1.16 -0.06 0.00 0.00 0.00 0.00 44.72 45.82 1cgt s GLY 52 CO 0.00 1.63 0.46 2.09 0.00 0.00 0.00 173.10 177.28 1cgt n ASP 53 N -1.08 -1.32 0.14 1.64 5.68 -0.82 -3.78 116.55 117.00 1cgt n ASP 53 Ca 0.11 -2.29 -0.01 0.00 -0.50 0.00 0.00 54.79 52.10 1cgt n ASP 53 Cb 0.47 2.31 0.16 0.00 -1.14 0.00 0.00 41.12 42.92 1cgt n ASP 53 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1cgt h TRP 54 N 1.74 0.00 -0.48 2.11 6.55 -1.64 -2.36 115.95 121.87 1cgt h TRP 54 Ca -0.22 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.59 1cgt h TRP 54 Cb 0.89 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.17 1cgt h TRP 54 CO 0.00 0.62 0.19 0.37 -1.05 0.00 0.00 178.44 178.57 1cgt h GLN 55 N 0.00 0.69 -0.75 0.49 5.75 -1.89 -1.07 115.11 118.33 1cgt h GLN 55 Ca -0.01 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 1cgt h GLN 55 Cb 1.14 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.53 1cgt h GLN 55 CO 0.08 0.58 0.27 0.78 -2.65 0.00 0.00 178.83 177.89 1cgt h GLY 56 N 0.84 1.21 1.23 2.39 0.00 -1.49 -0.91 103.07 106.34 1cgt h GLY 56 Ca 0.17 -0.68 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 1cgt h GLY 56 CO -0.02 0.64 -0.43 1.41 0.00 0.00 0.00 176.54 178.14 1cgt h LEU 57 N 1.10 0.89 -0.70 3.11 3.38 -1.27 -2.90 115.31 118.92 1cgt h LEU 57 Ca 0.25 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1cgt h LEU 57 Cb 0.25 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1cgt h LEU 57 CO -0.02 1.20 0.43 0.40 0.09 0.00 0.00 178.44 180.54 1cgt h ILE 58 N 0.67 1.07 -0.11 1.22 2.04 -0.61 -2.20 117.51 119.60 1cgt h ILE 58 Ca 0.05 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1cgt h ILE 58 Cb 1.01 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1cgt h ILE 58 CO 0.10 0.15 -0.05 0.78 0.00 0.00 0.00 178.15 179.13 1cgt h ASN 59 N 0.84 -0.17 0.92 1.72 2.35 -1.12 0.06 115.58 120.18 1cgt h ASN 59 Ca 0.29 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1cgt h ASN 59 Cb 0.05 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1cgt h ASN 59 CO -0.12 -0.07 -0.08 0.11 -1.65 0.00 0.00 177.43 175.62 1cgt h LYS 60 N -0.04 0.00 -0.07 0.81 1.79 -1.38 0.99 116.57 118.67 1cgt h LYS 60 Ca 0.06 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.33 1cgt h LYS 60 Cb 0.13 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1cgt h LYS 60 CO -0.13 0.08 -0.73 0.82 -1.08 0.00 0.00 179.45 178.40 1cgt h ILE 61 N 0.00 1.33 -0.23 1.86 2.04 -1.00 -1.73 117.51 119.78 1cgt h ILE 61 Ca -0.00 -2.02 -0.15 0.00 1.00 0.00 0.00 64.86 63.69 1cgt h ILE 61 Cb 0.56 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1cgt h ILE 61 CO 0.01 0.62 -0.47 0.78 0.00 0.00 0.00 178.15 179.08 1cgt h ASN 62 N 0.26 0.67 -0.27 1.72 2.35 0.04 -2.32 115.58 118.03 1cgt h ASN 62 Ca -0.07 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.32 1cgt h ASN 62 Cb 1.39 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 1cgt h ASN 62 CO 0.15 1.04 0.03 -0.90 -1.65 0.00 0.00 177.43 176.10 1cgt n ASP 63 N -4.00 3.09 -1.75 5.81 5.68 0.25 -4.91 116.55 120.71 1cgt n ASP 63 Ca -0.03 -2.44 -0.21 0.00 -0.50 0.00 0.00 54.79 51.62 1cgt n ASP 63 Cb 0.57 -0.59 -0.07 0.00 -1.14 0.00 0.00 41.12 39.89 1cgt n ASP 63 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1cgt n ASN 64 N 0.22 -5.57 -0.05 -1.12 3.02 -0.87 -4.91 115.26 105.97 1cgt n ASN 64 Ca 0.14 0.40 -0.08 0.00 -0.03 0.00 0.00 54.58 55.00 1cgt n ASN 64 Cb 0.70 -4.82 -0.02 0.00 -0.61 0.00 0.00 39.78 35.03 1cgt n ASN 64 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1cgt h TYR 65 N 0.00 0.04 -0.36 3.10 3.20 -1.55 -1.41 116.97 119.99 1cgt h TYR 65 Ca -0.44 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.28 1cgt h TYR 65 Cb 1.35 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.63 1cgt h TYR 65 CO 0.57 0.00 -0.43 0.74 -1.64 0.00 0.00 178.16 177.41 1cgt h PHE 66 N 0.11 1.13 -0.58 -3.82 0.04 -1.88 -0.61 116.94 111.33 1cgt h PHE 66 Ca 0.10 -0.36 -0.09 0.00 2.80 0.00 0.00 57.97 60.43 1cgt h PHE 66 Cb 0.11 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 1cgt h PHE 66 CO -0.16 1.19 0.02 0.77 -0.60 0.00 0.00 178.31 179.53 1cgt h SER 67 N 0.75 0.98 -0.27 2.17 0.02 -1.81 0.70 113.55 116.09 1cgt h SER 67 Ca 0.05 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 1cgt h SER 67 Cb 1.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1cgt h SER 67 CO 0.10 1.04 -0.34 0.44 -1.14 0.00 0.00 176.83 176.93 1cgt h ASP 68 N 0.90 0.84 0.36 3.07 3.32 -1.16 -2.67 116.42 121.08 1cgt h ASP 68 Ca 0.17 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 1cgt h ASP 68 Cb 0.52 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1cgt h ASP 68 CO 0.03 1.10 -0.26 0.25 -1.72 0.00 0.00 179.24 178.64 1cgt h LEU 69 N 0.67 0.00 0.00 1.55 5.85 -0.81 -3.43 115.31 119.14 1cgt h LEU 69 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1cgt h LEU 69 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1cgt h LEU 69 CO 0.08 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 179.05 1cgt n GLY 70 N -0.61 0.79 3.80 3.75 0.00 0.20 -2.84 105.19 110.29 1cgt n GLY 70 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1cgt n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cgt s VAL 71 N -2.09 4.06 -0.02 1.61 -7.23 -0.99 -4.61 120.40 111.13 1cgt s VAL 71 Ca 0.00 1.44 0.02 0.00 -1.81 0.00 0.00 61.98 61.64 1cgt s VAL 71 Cb 0.00 -3.68 0.04 0.00 0.56 0.00 0.00 36.38 33.30 1cgt s VAL 71 CO 0.00 -0.12 0.99 0.35 -0.31 0.00 0.00 175.10 176.01 1cgt n THR 72 N -0.29 1.04 -3.67 5.32 -2.24 -0.48 -4.63 114.28 109.33 1cgt n THR 72 Ca 0.06 -1.09 -0.14 0.00 -2.27 0.00 0.00 64.05 60.61 1cgt n THR 72 Cb 0.52 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 69.10 1cgt n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cgt s ALA 73 N -1.17 -1.39 -0.17 6.98 0.00 -1.04 -1.29 121.76 123.70 1cgt s ALA 73 Ca 0.04 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.40 1cgt s ALA 73 Cb 0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1cgt s ALA 73 CO 0.00 -0.28 -0.04 -0.51 0.00 0.00 0.00 175.76 174.94 1cgt s LEU 74 N -0.04 3.17 -0.33 0.00 1.43 0.03 -0.99 118.68 121.96 1cgt s LEU 74 Ca -0.03 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1cgt s LEU 74 Cb -0.04 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1cgt s LEU 74 CO 0.02 0.13 0.13 0.86 0.23 0.00 0.00 176.35 177.72 1cgt s TRP 75 N 0.57 3.20 0.30 0.29 -0.00 0.00 -0.32 118.94 122.98 1cgt s TRP 75 Ca -0.03 -1.02 0.09 0.00 -0.00 0.00 0.00 56.10 55.14 1cgt s TRP 75 Cb -0.14 -2.32 -0.04 0.00 -0.00 0.00 0.00 33.47 30.97 1cgt s TRP 75 CO 0.03 -0.61 0.10 0.96 -0.00 0.00 0.00 176.95 177.42 1cgt s ILE 76 N 1.51 3.40 0.83 5.86 -4.36 -0.40 -0.76 121.20 127.28 1cgt s ILE 76 Ca 0.02 -1.73 -0.14 0.00 -0.26 0.00 0.00 60.65 58.54 1cgt s ILE 76 Cb -0.18 -2.99 0.02 0.00 1.25 0.00 0.00 42.46 40.56 1cgt s ILE 76 CO 0.04 -0.28 0.66 -1.20 0.24 0.00 0.00 174.94 174.40 1cgt n SER 77 N -1.06 -0.95 -4.65 4.36 7.64 -1.21 -2.05 113.62 115.69 1cgt n SER 77 Ca -0.05 0.49 -0.50 0.00 1.01 0.00 0.00 58.87 59.82 1cgt n SER 77 Cb 0.60 -1.29 -0.05 0.00 -1.01 0.00 0.00 64.21 62.46 1cgt n SER 77 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1cgt n GLN 78 N -1.75 1.69 0.00 1.43 7.27 -1.26 -4.36 117.38 120.40 1cgt n GLN 78 Ca 0.10 0.61 0.15 0.00 0.07 0.00 0.00 57.00 57.93 1cgt n GLN 78 Cb 0.51 -2.34 0.71 0.00 2.41 0.00 0.00 30.24 31.53 1cgt n GLN 78 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1cgt n PRO 79 N 4.08 0.68 -2.54 3.69 -0.04 -1.26 -4.79 135.00 134.82 1cgt n PRO 79 Ca 0.20 -0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 1cgt n PRO 79 Cb 0.23 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1cgt n PRO 79 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cgt s VAL 80 N -2.42 4.24 0.12 0.52 -7.23 -1.26 -0.61 120.40 113.76 1cgt s VAL 80 Ca 0.32 0.06 -0.31 0.00 -1.81 0.00 0.00 61.98 60.24 1cgt s VAL 80 Cb 0.20 -3.64 -0.09 0.00 0.56 0.00 0.00 36.38 33.41 1cgt s VAL 80 CO 0.45 -0.63 1.62 -0.70 -0.31 0.00 0.00 175.10 175.52 1cgt s GLU 81 N -4.85 4.20 0.37 4.82 2.12 -0.34 -3.64 118.70 121.38 1cgt s GLU 81 Ca 0.51 2.36 0.07 0.00 0.36 0.00 0.00 54.97 58.27 1cgt s GLU 81 Cb -0.10 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1cgt s GLU 81 CO 0.45 -0.67 0.40 -0.80 -0.54 0.00 0.00 175.26 174.09 1cgt s ASN 82 N 1.79 5.44 0.47 -1.70 0.02 -1.26 -0.37 114.94 119.33 1cgt s ASN 82 Ca 0.72 -0.48 -0.24 0.00 -1.02 0.00 0.00 52.86 51.84 1cgt s ASN 82 Cb -0.42 -0.87 -0.08 0.00 0.02 0.00 0.00 41.25 39.90 1cgt s ASN 82 CO 0.32 -0.52 1.29 2.30 0.02 0.00 0.00 177.10 180.51 1cgt n ILE 83 N -1.56 2.98 0.03 0.60 -5.35 -0.61 -4.63 119.36 110.81 1cgt n ILE 83 Ca 0.02 -0.50 -0.03 0.00 -0.27 0.00 0.00 62.75 61.97 1cgt n ILE 83 Cb 0.60 -1.60 -0.09 0.00 -1.74 0.00 0.00 39.64 36.81 1cgt n ILE 83 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1cgt h PHE 84 N 1.84 0.00 -3.93 4.28 0.04 -1.98 -3.43 116.94 113.75 1cgt h PHE 84 Ca -0.49 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 59.72 1cgt h PHE 84 Cb 1.30 0.00 0.17 0.00 2.20 0.00 0.00 35.95 39.62 1cgt h PHE 84 CO 0.47 0.72 0.29 0.00 -0.60 0.00 0.00 178.31 179.18 1cgt n ALA 85 N -2.43 0.36 -2.94 2.45 0.00 -1.26 -5.00 120.51 111.70 1cgt n ALA 85 Ca -0.10 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 1cgt n ALA 85 Cb 0.90 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1cgt n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cgt s THR 86 N -1.66 5.33 -0.03 0.00 2.01 -1.26 -4.72 115.64 115.31 1cgt s THR 86 Ca 0.77 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 62.18 1cgt s THR 86 Cb -0.36 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1cgt s THR 86 CO 0.46 -0.06 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.53 1cgt s ILE 87 N -1.72 1.35 -0.35 1.82 1.01 -0.28 -4.77 121.20 118.27 1cgt s ILE 87 Ca 0.35 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 1cgt s ILE 87 Cb -0.11 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1cgt s ILE 87 CO 0.28 0.39 0.22 0.21 0.00 0.00 0.00 174.94 176.05 1cgt s ASN 88 N -0.15 5.87 -0.38 3.58 2.47 -1.26 -0.01 114.94 125.07 1cgt s ASN 88 Ca 0.01 -0.66 -0.09 0.00 0.42 0.00 0.00 52.86 52.54 1cgt s ASN 88 Cb -0.09 -2.08 0.05 0.00 -1.45 0.00 0.00 41.25 37.67 1cgt s ASN 88 CO 0.01 -0.30 0.20 -0.31 -3.72 0.00 0.00 177.10 172.98 1cgt s TYR 89 N 1.65 3.28 -1.15 0.43 2.02 0.57 -4.65 117.35 119.50 1cgt s TYR 89 Ca 0.05 -1.25 -0.24 0.00 -0.37 0.00 0.00 57.07 55.25 1cgt s TYR 89 Cb -0.18 -2.56 0.03 0.00 -0.40 0.00 0.00 41.96 38.86 1cgt s TYR 89 CO 0.08 -0.73 0.46 -1.13 -1.57 0.00 0.00 175.55 172.66 1cgt n SER 90 N 4.93 -2.56 0.00 2.29 3.41 -1.26 -1.31 113.62 119.12 1cgt n SER 90 Ca -0.11 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1cgt n SER 90 Cb 0.45 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1cgt n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cgt n GLY 91 N -2.08 3.31 3.55 5.00 0.00 -1.26 -5.02 105.19 108.70 1cgt n GLY 91 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1cgt n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cgt s VAL 92 N -2.42 4.10 0.07 1.61 0.11 -0.43 -5.06 120.40 118.38 1cgt s VAL 92 Ca 0.00 -0.29 -0.31 0.00 -2.93 0.00 0.00 61.98 58.45 1cgt s VAL 92 Cb 0.00 -2.79 -0.06 0.00 -1.53 0.00 0.00 36.38 32.00 1cgt s VAL 92 CO 0.00 0.51 1.19 -0.89 -3.33 0.00 0.00 175.10 172.58 1cgt s THR 93 N 0.14 4.04 -0.04 5.04 2.01 -1.26 -0.32 115.64 125.25 1cgt s THR 93 Ca 0.00 1.48 0.06 0.00 0.31 0.00 0.00 61.69 63.54 1cgt s THR 93 Cb -0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1cgt s THR 93 CO 0.02 0.12 -0.22 0.20 -0.69 0.00 0.00 174.62 174.05 1cgt s ASN 94 N 1.00 3.33 0.45 3.53 0.01 0.99 -4.65 114.94 119.60 1cgt s ASN 94 Ca 0.58 -0.41 0.05 0.00 -0.71 0.00 0.00 52.86 52.37 1cgt s ASN 94 Cb -0.29 -0.67 -0.05 0.00 0.41 0.00 0.00 41.25 40.64 1cgt s ASN 94 CO 0.29 0.29 0.04 0.42 -1.51 0.00 0.00 177.10 176.64 1cgt s THR 95 N -0.45 1.75 -0.15 1.60 -4.23 -0.83 -1.12 115.64 112.21 1cgt s THR 95 Ca 0.05 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1cgt s THR 95 Cb -0.12 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.20 1cgt s THR 95 CO 0.01 0.00 1.47 0.00 -0.54 0.00 0.00 174.62 175.57 1cgt n ALA 96 N -1.12 3.75 0.19 3.99 0.00 -1.26 -4.60 120.51 121.45 1cgt n ALA 96 Ca -0.09 -0.87 0.14 0.00 0.00 0.00 0.00 53.44 52.61 1cgt n ALA 96 Cb 0.67 -1.15 0.72 0.00 0.00 0.00 0.00 19.45 19.68 1cgt n ALA 96 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1cgt h TYR 97 N 0.57 0.00 0.00 0.00 -0.00 -1.89 -1.52 116.97 114.13 1cgt h TYR 97 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.91 1cgt h TYR 97 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.10 1cgt h TYR 97 CO 0.49 0.00 0.00 1.12 -0.00 0.00 0.00 178.16 179.77 1cgt h HIS 98 N 0.00 0.00 0.00 0.10 2.07 -1.96 -3.41 115.15 111.95 1cgt h HIS 98 Ca 0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 1cgt h HIS 98 Cb 0.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 1cgt h HIS 98 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 1cgt n GLY 99 N 0.80 1.31 0.11 6.13 0.00 -0.57 -4.49 105.19 108.48 1cgt n GLY 99 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1cgt n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cgt n TYR 100 N -2.00 0.00 -3.08 1.61 4.01 -1.26 -4.36 117.16 112.08 1cgt n TYR 100 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1cgt n TYR 100 Cb 0.00 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.87 1cgt n TYR 100 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1cgt n TRP 101 N -0.88 3.41 -2.01 -0.72 8.01 -1.26 -4.80 117.44 119.19 1cgt n TRP 101 Ca 0.18 -3.59 -0.35 0.00 -1.31 0.00 0.00 57.50 52.43 1cgt n TRP 101 Cb 0.23 -0.75 0.03 0.00 -2.01 0.00 0.00 31.31 28.81 1cgt n TRP 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1cgt s ALA 102 N -3.14 2.54 0.00 6.99 0.00 -1.13 -1.58 121.76 125.45 1cgt s ALA 102 Ca 0.41 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1cgt s ALA 102 Cb 0.18 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1cgt s ALA 102 CO -0.05 -1.13 0.00 2.89 0.00 0.00 0.00 175.76 177.47 1cgt n ARG 103 N -1.69 3.14 -3.50 0.00 1.85 0.50 -4.15 116.66 112.80 1cgt n ARG 103 Ca 0.13 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.80 1cgt n ARG 103 Cb 0.50 -0.73 -0.13 0.00 -1.05 0.00 0.00 32.46 31.06 1cgt n ARG 103 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1cgt s ASP 104 N -1.00 1.29 0.00 2.89 -1.08 -0.89 -0.81 116.67 117.07 1cgt s ASP 104 Ca 0.00 -0.16 0.21 0.00 -0.52 0.00 0.00 52.55 52.07 1cgt s ASP 104 Cb 0.00 0.40 1.20 0.00 -1.46 0.00 0.00 42.92 43.06 1cgt s ASP 104 CO 0.00 -0.32 1.78 0.49 0.52 0.00 0.00 175.17 177.64 1cgt n PHE 105 N 5.32 0.01 0.14 -5.34 3.01 -1.26 -2.50 117.46 116.84 1cgt n PHE 105 Ca -0.05 -0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.45 1cgt n PHE 105 Cb 0.50 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.05 1cgt n PHE 105 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1cgt n LYS 106 N -0.76 1.52 -4.33 -1.08 5.02 -1.26 -4.90 118.16 112.38 1cgt n LYS 106 Ca 0.15 -1.49 -0.21 0.00 -2.02 0.00 0.00 58.31 54.74 1cgt n LYS 106 Cb 0.09 -1.21 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 1cgt n LYS 106 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cgt s LYS 107 N -0.89 1.28 0.67 1.97 1.02 -1.22 -4.83 119.74 117.72 1cgt s LYS 107 Ca 0.15 -1.45 -0.11 0.00 0.02 0.00 0.00 55.97 54.59 1cgt s LYS 107 Cb 0.09 -1.25 -0.01 0.00 -0.52 0.00 0.00 37.83 36.14 1cgt s LYS 107 CO 0.13 0.24 1.06 0.95 -0.92 0.00 0.00 175.35 176.81 1cgt s THR 108 N -2.29 4.16 -0.31 2.17 -4.23 -1.26 -1.20 115.64 112.68 1cgt s THR 108 Ca 0.17 0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 61.09 1cgt s THR 108 Cb -0.04 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.16 1cgt s THR 108 CO 0.07 -0.92 1.15 0.21 -0.54 0.00 0.00 174.62 174.59 1cgt s ASN 109 N -4.17 6.84 0.57 3.99 3.84 0.22 -3.46 114.94 122.78 1cgt s ASN 109 Ca 0.57 1.10 0.33 0.00 0.21 0.00 0.00 52.86 55.06 1cgt s ASN 109 Cb -0.12 -2.54 1.74 0.00 -0.55 0.00 0.00 41.25 39.78 1cgt s ASN 109 CO 0.53 -0.95 2.16 1.55 -2.79 0.00 0.00 177.10 177.61 1cgt h PRO 110 N 8.50 0.00 0.00 0.43 0.13 -1.92 -0.51 132.00 138.63 1cgt h PRO 110 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1cgt h PRO 110 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1cgt h PRO 110 CO 1.03 0.06 -0.22 1.88 -0.23 0.00 0.00 178.00 180.52 1cgt h TYR 111 N 0.00 0.00 0.02 1.56 0.05 -1.91 -3.12 116.97 113.57 1cgt h TYR 111 Ca -0.00 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.46 1cgt h TYR 111 Cb 0.22 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 1cgt h TYR 111 CO 0.00 0.22 -1.89 1.19 -1.05 0.00 0.00 178.16 176.64 1cgt n PHE 112 N -3.32 0.85 0.00 4.88 3.72 -0.29 -4.69 117.46 118.62 1cgt n PHE 112 Ca 0.01 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 1cgt n PHE 112 Cb 0.47 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.86 1cgt n PHE 112 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cgt n GLY 113 N 1.68 -0.49 3.95 1.37 0.00 -0.69 -1.70 105.19 109.32 1cgt n GLY 113 Ca -0.23 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 1cgt n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cgt s THR 114 N -1.94 2.34 0.32 2.61 -4.23 -1.26 -4.04 115.64 109.44 1cgt s THR 114 Ca 0.00 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1cgt s THR 114 Cb 0.00 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 71.20 1cgt s THR 114 CO 0.00 0.00 1.94 0.24 -0.54 0.00 0.00 174.62 176.26 1cgt h MET 115 N -0.47 0.92 -0.78 3.99 2.86 -1.97 -1.05 114.93 118.43 1cgt h MET 115 Ca -0.42 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.12 1cgt h MET 115 Cb 1.30 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 1cgt h MET 115 CO 0.53 0.61 0.31 0.00 1.06 0.00 0.00 176.91 179.41 1cgt h ALA 116 N 1.54 1.06 -0.70 6.32 0.00 -1.99 -0.97 119.26 124.53 1cgt h ALA 116 Ca 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1cgt h ALA 116 Cb 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1cgt h ALA 116 CO -0.11 0.66 0.31 -0.44 0.00 0.00 0.00 179.25 179.67 1cgt h ASP 117 N 1.14 0.93 -0.50 0.00 3.32 -1.60 -1.05 116.42 118.66 1cgt h ASP 117 Ca 0.26 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1cgt h ASP 117 Cb 0.22 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1cgt h ASP 117 CO -0.02 0.83 0.31 0.15 -1.72 0.00 0.00 179.24 178.79 1cgt h PHE 118 N 0.98 0.59 -0.33 4.55 3.57 -0.95 0.33 116.94 125.68 1cgt h PHE 118 Ca 0.24 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1cgt h PHE 118 Cb 0.16 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1cgt h PHE 118 CO 0.01 0.36 -0.02 1.96 -2.23 0.00 0.00 178.31 178.38 1cgt h GLN 119 N 0.63 0.51 -0.15 1.11 4.20 -0.92 -1.49 115.11 119.01 1cgt h GLN 119 Ca 0.19 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 1cgt h GLN 119 Cb -0.03 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1cgt h GLN 119 CO -0.06 0.56 -0.55 -0.97 -0.67 0.00 0.00 178.83 177.13 1cgt h ASN 120 N 0.49 0.49 -0.11 1.46 -0.00 -0.38 -1.74 115.58 115.79 1cgt h ASN 120 Ca 0.10 -0.26 0.01 0.00 -0.00 0.00 0.00 56.30 56.15 1cgt h ASN 120 Cb 0.36 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.53 1cgt h ASN 120 CO 0.01 0.94 0.06 0.25 -0.00 0.00 0.00 177.43 178.69 1cgt h LEU 121 N 0.34 0.09 -0.01 0.34 6.46 -0.12 -0.86 115.31 121.55 1cgt h LEU 121 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1cgt h LEU 121 Cb 1.07 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1cgt h LEU 121 CO 0.10 0.07 -0.01 0.40 -0.62 0.00 0.00 178.44 178.37 1cgt h ILE 122 N 0.12 0.97 -0.04 4.05 1.08 -1.15 -0.88 117.51 121.67 1cgt h ILE 122 Ca 0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1cgt h ILE 122 Cb 0.00 0.97 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1cgt h ILE 122 CO -0.03 0.00 0.02 0.74 -0.69 0.00 0.00 178.15 178.19 1cgt h THR 123 N -0.01 1.07 -0.44 -0.27 2.02 -1.26 -0.60 112.91 113.42 1cgt h THR 123 Ca 0.01 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1cgt h THR 123 Cb 0.03 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1cgt h THR 123 CO -0.02 0.06 0.28 0.74 0.37 0.00 0.00 175.52 176.94 1cgt h THR 124 N -0.02 1.08 -0.16 3.16 2.02 -1.07 -0.56 112.91 117.36 1cgt h THR 124 Ca 0.01 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1cgt h THR 124 Cb 0.07 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1cgt h THR 124 CO -0.00 0.10 0.08 0.00 0.37 0.00 0.00 175.52 176.07 1cgt h ALA 125 N 1.18 0.21 -0.48 6.16 0.00 -1.06 -2.21 119.26 123.05 1cgt h ALA 125 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1cgt h ALA 125 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1cgt h ALA 125 CO -0.06 -0.23 -0.02 0.45 0.00 0.00 0.00 179.25 179.39 1cgt h HIS 126 N 0.13 0.87 0.00 0.00 3.86 -0.92 -0.22 115.15 118.88 1cgt h HIS 126 Ca 0.06 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1cgt h HIS 126 Cb 0.12 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1cgt h HIS 126 CO -0.03 0.82 -0.04 0.00 0.86 0.00 0.00 177.93 179.54 1cgt h ALA 127 N 1.22 1.78 -0.45 2.45 0.00 -0.75 -0.58 119.26 122.92 1cgt h ALA 127 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cgt h ALA 127 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1cgt h ALA 127 CO 0.02 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1cgt n LYS 128 N -4.27 2.24 -1.65 0.00 4.76 -0.35 -4.95 118.16 113.95 1cgt n LYS 128 Ca -0.03 -1.91 -0.02 0.00 -2.87 0.00 0.00 58.31 53.48 1cgt n LYS 128 Cb 0.12 -1.44 -0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1cgt n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cgt n GLY 129 N 1.37 0.38 3.37 0.72 0.00 -0.23 -5.03 105.19 105.77 1cgt n GLY 129 Ca 0.18 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1cgt n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cgt s ILE 130 N -2.08 3.20 0.46 -0.61 1.01 -0.24 -4.75 121.20 118.19 1cgt s ILE 130 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1cgt s ILE 130 Cb 0.00 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 1cgt s ILE 130 CO 0.00 0.50 0.88 -0.54 0.00 0.00 0.00 174.94 175.78 1cgt s LYS 131 N 0.63 3.84 -0.15 2.79 1.02 -0.41 -3.40 119.74 124.06 1cgt s LYS 131 Ca -0.06 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1cgt s LYS 131 Cb -0.15 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1cgt s LYS 131 CO 0.03 -0.17 -0.15 0.42 -0.92 0.00 0.00 175.35 174.56 1cgt s ILE 132 N -2.53 2.76 -0.09 2.17 -1.09 -1.26 -0.79 121.20 120.37 1cgt s ILE 132 Ca 0.55 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1cgt s ILE 132 Cb -0.10 -2.16 -0.02 0.00 -1.58 0.00 0.00 42.46 38.59 1cgt s ILE 132 CO 0.33 0.52 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.73 1cgt s VAL 133 N 0.71 3.12 0.01 2.92 1.01 0.56 -0.85 120.40 127.87 1cgt s VAL 133 Ca -0.07 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1cgt s VAL 133 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1cgt s VAL 133 CO 0.02 0.56 -0.11 0.27 0.00 0.00 0.00 175.10 175.83 1cgt s ILE 134 N -0.24 3.29 0.48 2.22 -4.36 -0.75 -1.27 121.20 120.58 1cgt s ILE 134 Ca 0.01 -0.90 -0.23 0.00 -0.26 0.00 0.00 60.65 59.26 1cgt s ILE 134 Cb -0.13 -2.40 -0.07 0.00 1.25 0.00 0.00 42.46 41.11 1cgt s ILE 134 CO 0.03 0.40 1.31 -1.81 0.24 0.00 0.00 174.94 175.11 1cgt s ASP 135 N -1.34 5.81 -0.08 4.36 1.01 -0.87 -0.84 116.67 124.72 1cgt s ASP 135 Ca 0.16 2.65 -0.03 0.00 0.71 0.00 0.00 52.55 56.03 1cgt s ASP 135 Cb -0.11 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.23 1cgt s ASP 135 CO 0.06 -1.19 0.17 0.12 0.21 0.00 0.00 175.17 174.54 1cgt s PHE 136 N -1.34 -0.21 -0.65 4.23 5.36 -0.06 -4.25 117.98 121.07 1cgt s PHE 136 Ca 0.65 0.59 0.05 0.00 -0.96 0.00 0.00 56.93 57.26 1cgt s PHE 136 Cb -0.37 -0.09 0.16 0.00 -0.34 0.00 0.00 43.02 42.38 1cgt s PHE 136 CO 0.46 -0.21 0.45 0.00 -1.46 0.00 0.00 175.22 174.46 1cgt s ALA 137 N 1.47 3.47 -2.00 11.12 0.00 -1.26 -1.41 121.76 133.14 1cgt s ALA 137 Ca -0.06 -3.60 0.29 0.00 0.00 0.00 0.00 51.96 48.58 1cgt s ALA 137 Cb -0.11 -2.10 1.71 0.00 0.00 0.00 0.00 23.12 22.62 1cgt s ALA 137 CO -0.07 -2.08 2.07 -0.35 0.00 0.00 0.00 175.76 175.34 1cgt n PRO 138 N 2.22 0.95 0.14 0.00 -0.05 -1.26 -3.83 135.00 133.17 1cgt n PRO 138 Ca 0.19 0.00 0.01 0.00 -0.05 0.00 0.00 63.50 63.65 1cgt n PRO 138 Cb 0.36 -1.47 0.15 0.00 -0.05 0.00 0.00 33.50 32.49 1cgt n PRO 138 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 175.50 174.48 1cgt h ASN 139 N 0.00 0.00 -5.01 3.54 -1.24 -1.92 -3.44 115.58 107.50 1cgt h ASN 139 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.07 1cgt h ASN 139 Cb 0.00 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.98 1cgt h ASN 139 CO 0.00 0.58 0.24 -1.38 -1.29 0.00 0.00 177.43 175.58 1cgt s HIS 140 N -3.33 -0.26 0.00 0.67 -3.43 -1.25 -1.55 115.29 106.14 1cgt s HIS 140 Ca 0.01 -0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 1cgt s HIS 140 Cb 0.11 0.67 0.00 0.00 -1.43 0.00 0.00 32.58 31.93 1cgt s HIS 140 CO 0.74 -1.13 0.00 0.25 -2.00 0.00 0.00 174.74 172.60 1cgt n THR 141 N -0.44 0.00 -3.89 -5.38 -2.24 -0.95 -4.72 114.28 96.65 1cgt n THR 141 Ca -0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1cgt n THR 141 Cb 0.60 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1cgt n THR 141 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cgt s SER 142 N -1.00 -0.05 0.26 3.42 1.04 -1.26 -2.84 113.70 113.27 1cgt s SER 142 Ca 0.00 -0.90 -0.31 0.00 0.48 0.00 0.00 55.95 55.22 1cgt s SER 142 Cb 0.00 0.73 -0.13 0.00 0.10 0.00 0.00 66.02 66.72 1cgt s SER 142 CO 0.00 -1.40 1.44 -2.65 0.98 0.00 0.00 173.24 171.61 1cgt n PRO 143 N -0.47 2.20 -3.74 4.02 -0.02 -1.26 -2.26 135.00 133.47 1cgt n PRO 143 Ca -0.04 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 62.08 1cgt n PRO 143 Cb 0.60 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 1cgt n PRO 143 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cgt s ALA 144 N -0.13 -0.87 -0.14 3.55 0.00 -0.11 -3.36 121.76 120.70 1cgt s ALA 144 Ca 0.66 0.40 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1cgt s ALA 144 Cb -0.61 0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1cgt s ALA 144 CO 0.50 -0.28 -0.11 -1.64 0.00 0.00 0.00 175.76 174.24 1cgt s MET 145 N -1.37 1.96 0.33 0.00 -1.94 -1.26 -4.80 119.30 112.22 1cgt s MET 145 Ca -0.13 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1cgt s MET 145 Cb -0.05 -1.96 0.56 0.00 2.01 0.00 0.00 34.83 35.40 1cgt s MET 145 CO 0.04 -0.28 1.94 1.49 -0.01 0.00 0.00 175.02 178.21 1cgt h GLU 146 N 8.09 0.80 0.00 2.03 4.81 -1.97 -2.16 114.58 126.17 1cgt h GLU 146 Ca -0.34 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1cgt h GLU 146 Cb 1.13 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1cgt h GLU 146 CO 0.48 0.61 0.00 0.25 -0.73 0.00 0.00 179.01 179.62 1cgt n THR 147 N -4.37 0.01 -3.51 0.32 -2.24 -1.26 -4.58 114.28 98.64 1cgt n THR 147 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 1cgt n THR 147 Cb 0.12 -0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 67.71 1cgt n THR 147 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cgt s ASP 148 N -2.91 3.29 0.20 3.42 2.15 -0.81 -4.97 116.67 117.04 1cgt s ASP 148 Ca 0.17 -1.77 0.18 0.00 0.43 0.00 0.00 52.55 51.57 1cgt s ASP 148 Cb 0.19 -0.41 0.85 0.00 -0.30 0.00 0.00 42.92 43.25 1cgt s ASP 148 CO 0.51 -0.37 1.57 0.35 -0.17 0.00 0.00 175.17 177.06 1cgt n THR 149 N 4.61 1.06 0.70 1.71 -2.24 -1.26 -1.39 114.28 117.47 1cgt n THR 149 Ca 0.03 0.40 0.13 0.00 -2.27 0.00 0.00 64.05 62.35 1cgt n THR 149 Cb 0.39 -1.33 0.41 0.00 -2.10 0.00 0.00 70.33 67.70 1cgt n THR 149 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1cgt n SER 150 N -2.02 0.64 -4.70 3.42 3.41 -1.26 -4.35 113.62 108.76 1cgt n SER 150 Ca 0.01 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 1cgt n SER 150 Cb 0.14 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1cgt n SER 150 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1cgt s PHE 151 N -3.09 3.32 0.00 7.33 5.36 -0.49 -4.84 117.98 125.58 1cgt s PHE 151 Ca 0.11 1.28 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 1cgt s PHE 151 Cb 0.14 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.41 1cgt s PHE 151 CO 0.61 -1.23 0.00 0.00 -1.46 0.00 0.00 175.22 173.13 1cgt n ALA 152 N 4.55 0.00 -1.34 11.12 0.00 -1.26 -1.91 120.51 131.67 1cgt n ALA 152 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 1cgt n ALA 152 Cb 0.47 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.12 1cgt n ALA 152 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cgt n GLU 153 N 14.00 2.02 -2.78 0.00 1.02 -1.26 -4.94 120.64 128.70 1cgt n GLU 153 Ca 0.00 -3.08 -0.18 0.00 -0.02 0.00 0.00 57.16 53.87 1cgt n GLU 153 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1cgt n GLU 153 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1cgt n ASN 154 N -1.02 -4.65 -2.33 1.62 4.05 -0.80 -1.91 115.26 110.22 1cgt n ASN 154 Ca 0.29 -0.08 -0.15 0.00 0.45 0.00 0.00 54.58 55.09 1cgt n ASN 154 Cb 0.97 -3.86 -0.01 0.00 1.23 0.00 0.00 39.78 38.10 1cgt n ASN 154 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cgt n GLY 155 N -1.08 -0.31 3.77 8.20 0.00 -1.21 -1.11 105.19 113.44 1cgt n GLY 155 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1cgt n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cgt s ARG 156 N -4.87 3.78 -0.06 1.61 0.52 -0.80 -4.50 118.95 114.63 1cgt s ARG 156 Ca 0.00 2.19 0.03 0.00 -0.52 0.00 0.00 55.73 57.43 1cgt s ARG 156 Cb 0.00 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 1cgt s ARG 156 CO 0.00 -0.66 -0.14 -1.17 0.02 0.00 0.00 175.30 173.35 1cgt s LEU 157 N -2.69 2.74 0.17 2.53 2.96 0.16 -4.60 118.68 119.95 1cgt s LEU 157 Ca 0.60 -0.21 0.10 0.00 -0.22 0.00 0.00 54.13 54.41 1cgt s LEU 157 Cb -0.39 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1cgt s LEU 157 CO 0.49 0.33 -0.20 -0.31 -1.32 0.00 0.00 176.35 175.34 1cgt s TYR 158 N -0.62 2.42 -0.37 5.38 1.51 0.01 -0.59 117.35 125.08 1cgt s TYR 158 Ca 0.09 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1cgt s TYR 158 Cb -0.11 -1.23 0.10 0.00 -0.11 0.00 0.00 41.96 40.62 1cgt s TYR 158 CO 0.01 0.46 0.09 0.34 -1.11 0.00 0.00 175.55 175.34 1cgt s ASP 159 N -2.51 4.80 -1.62 2.29 -1.08 0.98 -4.29 116.67 115.24 1cgt s ASP 159 Ca 0.20 -2.22 -0.09 0.00 -0.52 0.00 0.00 52.55 49.92 1cgt s ASP 159 Cb -0.09 -1.66 0.08 0.00 -1.46 0.00 0.00 42.92 39.80 1cgt s ASP 159 CO 0.10 -0.39 0.39 -3.20 0.52 0.00 0.00 175.17 172.60 1cgt n ASN 160 N 4.19 -0.82 0.00 -0.34 5.15 -1.26 -1.79 115.26 120.39 1cgt n ASN 160 Ca 0.03 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 1cgt n ASN 160 Cb 0.41 -2.19 0.00 0.00 -0.53 0.00 0.00 39.78 37.47 1cgt n ASN 160 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cgt n GLY 161 N -1.88 2.76 3.71 8.20 0.00 -1.26 -5.05 105.19 111.67 1cgt n GLY 161 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1cgt n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cgt s THR 162 N -2.73 5.00 0.20 2.61 2.01 -0.74 -4.98 115.64 117.01 1cgt s THR 162 Ca 0.00 1.60 -0.31 0.00 0.31 0.00 0.00 61.69 63.28 1cgt s THR 162 Cb 0.00 -4.11 -0.10 0.00 0.01 0.00 0.00 72.50 68.30 1cgt s THR 162 CO 0.00 0.22 1.57 -0.22 -0.69 0.00 0.00 174.62 175.50 1cgt s LEU 163 N 0.91 4.37 -0.26 4.42 2.96 -1.26 -0.01 118.68 129.81 1cgt s LEU 163 Ca 0.41 2.69 -0.16 0.00 -0.22 0.00 0.00 54.13 56.86 1cgt s LEU 163 Cb -0.18 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.77 1cgt s LEU 163 CO 0.20 -0.83 -0.25 0.52 -1.32 0.00 0.00 176.35 174.67 1cgt n VAL 164 N 3.47 1.53 0.00 1.68 0.31 0.24 -4.84 118.33 120.71 1cgt n VAL 164 Ca 0.12 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1cgt n VAL 164 Cb 0.38 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 1cgt n VAL 164 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cgt n GLY 165 N 1.30 1.54 3.17 2.92 0.00 -1.05 -4.99 105.19 108.08 1cgt n GLY 165 Ca -0.47 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 1cgt n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgt n GLY 166 N -0.48 3.32 0.12 -0.02 0.00 -1.26 -0.67 105.19 106.21 1cgt n GLY 166 Ca 0.00 -2.32 -0.11 0.00 0.00 0.00 0.00 46.02 43.59 1cgt n GLY 166 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1cgt h TYR 167 N 1.00 0.39 -3.45 1.61 3.20 -1.35 -3.38 116.97 114.99 1cgt h TYR 167 Ca -0.34 -0.23 -0.54 0.00 3.14 0.00 0.00 58.73 60.76 1cgt h TYR 167 Cb 1.09 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 1cgt h TYR 167 CO 0.00 1.08 0.14 0.99 -1.64 0.00 0.00 178.16 178.73 1cgt s THR 168 N -3.07 4.54 -1.27 1.81 2.01 -1.26 -3.93 115.64 114.47 1cgt s THR 168 Ca -0.03 1.60 -0.06 0.00 0.31 0.00 0.00 61.69 63.51 1cgt s THR 168 Cb 0.09 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.51 1cgt s THR 168 CO 0.85 0.48 1.10 0.59 -0.69 0.00 0.00 174.62 176.94 1cgt n ASN 169 N 2.00 -4.73 -4.43 3.53 3.02 -1.26 -4.90 115.26 108.50 1cgt n ASN 169 Ca -0.05 -0.56 -0.43 0.00 -0.03 0.00 0.00 54.58 53.50 1cgt n ASN 169 Cb 0.49 -4.98 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 1cgt n ASN 169 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cgt n ASP 170 N -2.98 5.04 0.14 6.41 2.03 -1.25 -4.70 116.55 121.22 1cgt n ASP 170 Ca -0.10 -2.96 -0.01 0.00 0.52 0.00 0.00 54.79 52.25 1cgt n ASP 170 Cb 0.60 -1.64 0.17 0.00 -0.72 0.00 0.00 41.12 39.53 1cgt n ASP 170 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1cgt h THR 171 N 4.89 1.37 0.00 5.18 1.35 -1.92 -2.69 112.91 121.10 1cgt h THR 171 Ca 0.39 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 1cgt h THR 171 Cb 0.84 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1cgt h THR 171 CO 1.39 0.60 0.00 0.59 -0.25 0.00 0.00 175.52 177.85 1cgt n ASN 172 N -3.71 0.09 -1.85 5.36 3.02 -1.26 -4.93 115.26 111.97 1cgt n ASN 172 Ca -0.01 0.51 -0.13 0.00 -0.03 0.00 0.00 54.58 54.93 1cgt n ASN 172 Cb 0.63 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 39.29 1cgt n ASN 172 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cgt n GLY 173 N 0.89 0.03 0.29 7.41 0.00 -1.01 -4.93 105.19 107.86 1cgt n GLY 173 Ca 0.05 -0.26 0.16 0.00 0.00 0.00 0.00 46.02 45.97 1cgt n GLY 173 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1cgt h TYR 174 N -0.89 0.00 -3.05 1.61 0.05 -1.90 -3.43 116.97 109.37 1cgt h TYR 174 Ca -0.30 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.07 1cgt h TYR 174 Cb 1.20 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.80 1cgt h TYR 174 CO 0.29 0.05 -0.69 -0.06 -1.05 0.00 0.00 178.16 176.69 1cgt s PHE 175 N -4.32 1.64 0.17 4.88 0.08 -1.26 -0.38 117.98 118.79 1cgt s PHE 175 Ca -0.04 -0.75 -0.20 0.00 0.12 0.00 0.00 56.93 56.07 1cgt s PHE 175 Cb 0.14 -0.88 -0.08 0.00 -0.57 0.00 0.00 43.02 41.63 1cgt s PHE 175 CO 0.54 0.17 0.68 -1.01 -0.10 0.00 0.00 175.22 175.49 1cgt s HIS 176 N -3.18 3.71 -0.48 0.36 3.76 0.80 -4.62 115.29 115.65 1cgt s HIS 176 Ca 0.25 1.36 0.07 0.00 -0.15 0.00 0.00 55.06 56.59 1cgt s HIS 176 Cb 0.03 -2.58 0.39 0.00 1.11 0.00 0.00 32.58 31.52 1cgt s HIS 176 CO 0.07 0.43 1.00 0.72 -0.85 0.00 0.00 174.74 176.11 1cgt n HIS 177 N 1.06 3.22 -0.68 1.40 8.25 -1.26 -4.64 115.22 122.57 1cgt n HIS 177 Ca -0.05 -3.49 0.07 0.00 -0.26 0.00 0.00 57.72 54.00 1cgt n HIS 177 Cb 0.51 -0.29 0.20 0.00 1.12 0.00 0.00 29.99 31.52 1cgt n HIS 177 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1cgt n ASN 178 N -0.29 3.34 0.00 0.41 5.03 -1.26 -5.09 115.26 117.39 1cgt n ASN 178 Ca 0.32 -2.63 0.00 0.00 0.87 0.00 0.00 54.58 53.14 1cgt n ASN 178 Cb 0.57 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 1cgt n ASN 178 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cgt n GLY 179 N -0.26 -1.83 3.77 7.41 0.00 -1.26 -4.84 105.19 108.19 1cgt n GLY 179 Ca 0.16 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1cgt n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgt s GLY 180 N -0.50 2.01 0.40 -0.02 0.00 -1.26 -1.29 107.32 106.66 1cgt s GLY 180 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 44.72 43.45 1cgt s GLY 180 CO 0.00 -1.00 1.13 -0.45 0.00 0.00 0.00 173.10 172.78 1cgt s SER 181 N -2.40 6.57 0.00 1.64 0.15 0.24 -4.74 113.70 115.16 1cgt s SER 181 Ca 0.29 2.26 0.19 0.00 0.70 0.00 0.00 55.95 59.39 1cgt s SER 181 Cb -0.12 -2.61 0.32 0.00 -1.71 0.00 0.00 66.02 61.91 1cgt s SER 181 CO 0.22 -0.63 1.27 -0.90 1.20 0.00 0.00 173.24 174.39 1cgt n ASP 182 N 0.02 3.08 -2.29 5.45 5.68 -1.26 -4.80 116.55 122.43 1cgt n ASP 182 Ca 0.05 -1.90 -0.19 0.00 -0.50 0.00 0.00 54.79 52.25 1cgt n ASP 182 Cb 0.47 -0.18 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 1cgt n ASP 182 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1cgt n PHE 183 N 1.20 -0.95 0.57 2.11 3.72 -1.26 -4.89 117.46 117.96 1cgt n PHE 183 Ca 0.15 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.68 1cgt n PHE 183 Cb 0.52 -3.66 0.36 0.00 -0.94 0.00 0.00 39.48 35.76 1cgt n PHE 183 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1cgt h SER 184 N 0.00 0.00 -5.20 4.37 4.64 -1.94 -3.46 113.55 111.96 1cgt h SER 184 Ca -0.45 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 1cgt h SER 184 Cb 1.32 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.32 1cgt h SER 184 CO 0.54 0.01 -0.11 -0.94 -0.87 0.00 0.00 176.83 175.46 1cgt s SER 185 N -4.72 -0.11 0.11 4.97 1.04 -1.26 -5.03 113.70 108.70 1cgt s SER 185 Ca 0.10 -0.80 -0.20 0.00 0.48 0.00 0.00 55.95 55.52 1cgt s SER 185 Cb 0.11 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.71 1cgt s SER 185 CO 0.62 -1.08 1.76 0.25 0.98 0.00 0.00 173.24 175.76 1cgt h LEU 186 N 2.29 0.19 -0.20 2.42 5.85 -1.96 -2.29 115.31 121.60 1cgt h LEU 186 Ca -0.27 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1cgt h LEU 186 Cb 1.25 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1cgt h LEU 186 CO 0.38 0.15 0.01 -0.08 -0.34 0.00 0.00 178.44 178.56 1cgt h GLU 187 N 0.21 0.07 -0.83 1.25 4.81 -1.96 -2.35 114.58 115.78 1cgt h GLU 187 Ca 0.06 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1cgt h GLU 187 Cb -0.01 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 1cgt h GLU 187 CO -0.01 0.05 0.52 -0.97 -0.73 0.00 0.00 179.01 177.86 1cgt h ASN 188 N 0.08 0.83 0.86 1.04 -1.24 -1.93 -1.51 115.58 113.70 1cgt h ASN 188 Ca 0.09 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1cgt h ASN 188 Cb 0.11 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.99 1cgt h ASN 188 CO -0.15 0.55 0.00 0.61 -1.29 0.00 0.00 177.43 177.15 1cgt n GLY 189 N -1.32 -1.32 0.13 1.57 0.00 -0.87 -3.11 105.19 100.26 1cgt n GLY 189 Ca 0.11 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1cgt n GLY 189 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cgt n ILE 190 N -1.87 1.73 -0.14 -0.61 5.41 -0.61 -4.55 119.36 118.72 1cgt n ILE 190 Ca 0.04 -0.54 0.09 0.00 1.00 0.00 0.00 62.75 63.34 1cgt n ILE 190 Cb 0.27 -1.79 0.22 0.00 -0.71 0.00 0.00 39.64 37.63 1cgt n ILE 190 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1cgt n TYR 191 N -3.66 0.62 -4.48 1.39 4.01 -0.97 -4.69 117.16 109.39 1cgt n TYR 191 Ca -0.33 -0.43 -0.26 0.00 -0.16 0.00 0.00 57.90 56.72 1cgt n TYR 191 Cb 0.98 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.90 1cgt n TYR 191 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1cgt s LYS 192 N -1.06 1.95 0.29 -0.72 1.02 -1.18 -4.58 119.74 115.45 1cgt s LYS 192 Ca 0.34 -1.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.11 1cgt s LYS 192 Cb 0.18 -1.77 -0.10 0.00 -0.52 0.00 0.00 37.83 35.63 1cgt s LYS 192 CO 0.24 0.07 1.24 -0.80 -0.92 0.00 0.00 175.35 175.18 1cgt s ASN 193 N -3.68 6.96 -0.54 2.83 0.01 -0.41 -4.60 114.94 115.50 1cgt s ASN 193 Ca 0.34 2.49 -0.28 0.00 -0.71 0.00 0.00 52.86 54.71 1cgt s ASN 193 Cb 0.04 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 39.09 1cgt s ASN 193 CO 0.18 -0.40 1.12 -0.76 -1.51 0.00 0.00 177.10 175.73 1cgt s LEU 194 N -1.37 3.63 0.00 0.60 1.43 -1.26 -0.60 118.68 121.12 1cgt s LEU 194 Ca 0.49 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1cgt s LEU 194 Cb -0.36 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1cgt s LEU 194 CO 0.46 -1.36 0.00 -1.22 0.23 0.00 0.00 176.35 174.46 1cgt n TYR 195 N 8.06 0.00 -0.30 0.29 4.01 -1.26 -1.08 117.16 126.88 1cgt n TYR 195 Ca 0.08 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.87 1cgt n TYR 195 Cb 0.49 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.64 1cgt n TYR 195 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1cgt n ASP 196 N 10.76 2.77 -4.70 7.72 5.75 -1.26 -4.74 116.55 132.86 1cgt n ASP 196 Ca 0.00 -2.21 -0.42 0.00 -0.01 0.00 0.00 54.79 52.14 1cgt n ASP 196 Cb 0.00 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 1cgt n ASP 196 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1cgt s LEU 197 N -1.38 4.31 -0.23 -2.12 1.43 -0.24 -0.94 118.68 119.52 1cgt s LEU 197 Ca 0.20 1.86 -0.28 0.00 -1.03 0.00 0.00 54.13 54.87 1cgt s LEU 197 Cb 0.13 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1cgt s LEU 197 CO 0.10 -0.53 2.02 0.00 0.23 0.00 0.00 176.35 178.17 1cgt s ALA 198 N 1.84 2.89 -0.23 4.21 0.00 -0.96 -4.02 121.76 125.49 1cgt s ALA 198 Ca 0.56 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1cgt s ALA 198 Cb -0.26 -4.02 0.01 0.00 0.00 0.00 0.00 23.12 18.85 1cgt s ALA 198 CO 0.24 -2.57 1.02 0.34 0.00 0.00 0.00 175.76 174.80 1cgt s ASP 199 N 6.97 7.08 0.42 0.00 2.15 -1.26 -2.25 116.67 129.79 1cgt s ASP 199 Ca 0.91 1.35 -0.26 0.00 0.43 0.00 0.00 52.55 54.99 1cgt s ASP 199 Cb -0.30 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 39.70 1cgt s ASP 199 CO 0.35 -0.66 1.34 -0.36 -0.17 0.00 0.00 175.17 175.67 1cgt s PHE 200 N 3.16 2.71 -0.60 -5.34 0.08 -0.59 -0.14 117.98 117.25 1cgt s PHE 200 Ca 0.43 1.37 -0.15 0.00 0.12 0.00 0.00 56.93 58.70 1cgt s PHE 200 Cb -0.15 -3.74 0.15 0.00 -0.57 0.00 0.00 43.02 38.71 1cgt s PHE 200 CO 0.06 -2.33 0.56 1.21 -0.10 0.00 0.00 175.22 174.61 1cgt s ASN 201 N -0.69 6.30 0.00 1.36 2.47 0.49 -4.60 114.94 120.27 1cgt s ASN 201 Ca 0.58 -1.99 0.28 0.00 0.42 0.00 0.00 52.86 52.15 1cgt s ASN 201 Cb -0.39 -2.21 1.31 0.00 -1.45 0.00 0.00 41.25 38.51 1cgt s ASN 201 CO 0.51 -0.79 1.93 1.41 -3.72 0.00 0.00 177.10 176.43 1cgt n HIS 202 N 4.96 0.00 0.35 0.43 8.25 -1.26 -1.92 115.22 126.03 1cgt n HIS 202 Ca -0.08 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.52 1cgt n HIS 202 Cb 0.42 -0.37 0.40 0.00 1.12 0.00 0.00 29.99 31.55 1cgt n HIS 202 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 1cgt h ASN 203 N 0.00 0.00 -2.86 0.41 -0.73 -1.95 -3.37 115.58 107.08 1cgt h ASN 203 Ca 0.00 0.00 -0.55 0.00 1.87 0.00 0.00 56.30 57.62 1cgt h ASN 203 Cb 0.35 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.93 1cgt h ASN 203 CO 0.00 0.00 0.88 0.21 -0.37 0.00 0.00 177.43 178.15 1cgt s ASN 204 N -5.43 6.82 0.46 1.15 2.47 -0.81 -4.72 114.94 114.89 1cgt s ASN 204 Ca 0.06 2.11 0.20 0.00 0.42 0.00 0.00 52.86 55.65 1cgt s ASN 204 Cb 0.08 -2.56 1.14 0.00 -1.45 0.00 0.00 41.25 38.46 1cgt s ASN 204 CO 0.58 -0.76 1.99 0.00 -3.72 0.00 0.00 177.10 175.19 1cgt h ALA 205 N 8.11 1.43 -0.58 1.71 0.00 -1.88 -2.07 119.26 125.98 1cgt h ALA 205 Ca -0.37 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1cgt h ALA 205 Cb 1.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1cgt h ALA 205 CO 0.92 0.24 0.06 1.15 0.00 0.00 0.00 179.25 181.62 1cgt h THR 206 N 0.00 1.25 -0.16 0.00 2.02 -1.95 -2.24 112.91 111.83 1cgt h THR 206 Ca -0.00 -1.01 -0.14 0.00 0.77 0.00 0.00 66.41 66.03 1cgt h THR 206 Cb 0.41 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1cgt h THR 206 CO 0.03 0.37 -0.46 0.40 0.37 0.00 0.00 175.52 176.23 1cgt h ILE 207 N 0.89 1.34 -0.19 3.11 1.08 -1.70 0.23 117.51 122.27 1cgt h ILE 207 Ca 0.18 -1.72 0.05 0.00 -0.39 0.00 0.00 64.86 62.97 1cgt h ILE 207 Cb 0.44 2.01 -0.05 0.00 -3.07 0.00 0.00 36.82 36.14 1cgt h ILE 207 CO 0.01 0.53 -0.12 -0.78 -0.69 0.00 0.00 178.15 177.11 1cgt h ASP 208 N 0.23 -0.38 -0.53 1.72 3.58 -1.36 -1.63 116.42 118.05 1cgt h ASP 208 Ca -0.01 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 1cgt h ASP 208 Cb 1.08 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 1cgt h ASP 208 CO 0.10 -0.15 0.18 0.50 -2.88 0.00 0.00 179.24 176.98 1cgt h LYS 209 N -0.11 0.81 -0.29 0.28 1.63 -1.39 -2.31 116.57 115.20 1cgt h LYS 209 Ca 0.11 -0.17 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 1cgt h LYS 209 Cb 0.27 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 1cgt h LYS 209 CO -0.26 0.74 -0.02 -0.92 -3.45 0.00 0.00 179.45 175.54 1cgt h TYR 210 N 0.72 -0.06 0.00 1.91 5.03 -0.58 -0.55 116.97 123.45 1cgt h TYR 210 Ca 0.17 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.37 1cgt h TYR 210 Cb 0.26 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.59 1cgt h TYR 210 CO 0.01 -0.07 -0.64 0.74 -1.32 0.00 0.00 178.16 176.88 1cgt h PHE 211 N 0.06 0.00 -0.55 -3.82 0.04 -1.16 0.20 116.94 111.71 1cgt h PHE 211 Ca 0.14 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 1cgt h PHE 211 Cb 0.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1cgt h PHE 211 CO -0.23 0.64 0.01 0.87 -0.60 0.00 0.00 178.31 179.00 1cgt h LYS 212 N 0.00 0.97 -0.26 1.51 1.57 -1.11 -2.57 116.57 116.68 1cgt h LYS 212 Ca -0.01 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 1cgt h LYS 212 Cb 1.15 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1cgt h LYS 212 CO 0.08 0.97 -0.27 -0.44 -0.57 0.00 0.00 179.45 179.22 1cgt h ASP 213 N 0.85 0.69 -0.47 0.86 3.32 -0.94 -2.99 116.42 117.74 1cgt h ASP 213 Ca 0.16 -0.48 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 1cgt h ASP 213 Cb 0.52 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1cgt h ASP 213 CO 0.03 1.03 0.13 0.00 -1.72 0.00 0.00 179.24 178.70 1cgt h ALA 214 N 0.68 0.62 -0.27 3.45 0.00 -0.60 -2.93 119.26 120.21 1cgt h ALA 214 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1cgt h ALA 214 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1cgt h ALA 214 CO 0.07 0.30 -0.32 0.97 0.00 0.00 0.00 179.25 180.26 1cgt h ILE 215 N 0.64 1.28 -0.91 0.00 6.09 -1.53 -2.65 117.51 120.43 1cgt h ILE 215 Ca 0.15 -1.44 0.15 0.00 -1.37 0.00 0.00 64.86 62.35 1cgt h ILE 215 Cb 0.31 1.42 -0.07 0.00 0.47 0.00 0.00 36.82 38.95 1cgt h ILE 215 CO -0.00 0.46 0.58 0.50 -3.07 0.00 0.00 178.15 176.62 1cgt h LYS 216 N 0.50 0.70 -0.32 2.19 1.63 -1.39 -1.17 116.57 118.70 1cgt h LYS 216 Ca 0.06 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1cgt h LYS 216 Cb 0.80 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1cgt h LYS 216 CO 0.07 0.46 0.03 1.25 -3.45 0.00 0.00 179.45 177.80 1cgt h LEU 217 N 0.72 0.53 -0.67 5.20 6.46 -1.29 0.62 115.31 126.88 1cgt h LEU 217 Ca 0.46 -0.28 -0.13 0.00 -0.12 0.00 0.00 57.88 57.80 1cgt h LEU 217 Cb 0.73 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1cgt h LEU 217 CO -0.22 0.68 -0.42 -0.50 -0.62 0.00 0.00 178.44 177.36 1cgt h TRP 218 N 0.36 0.66 -0.58 1.25 4.06 -1.34 -1.86 115.95 118.50 1cgt h TRP 218 Ca 0.09 -0.19 -0.09 0.00 2.06 0.00 0.00 58.89 60.76 1cgt h TRP 218 Cb 0.39 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1cgt h TRP 218 CO 0.03 0.88 -0.01 -0.07 -3.56 0.00 0.00 178.44 175.71 1cgt h LEU 219 N 0.45 0.99 -1.62 -4.49 3.38 -1.05 -1.87 115.31 111.10 1cgt h LEU 219 Ca 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1cgt h LEU 219 Cb 0.92 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1cgt h LEU 219 CO 0.08 1.05 -0.21 0.44 0.09 0.00 0.00 178.44 179.89 1cgt h ASP 220 N 0.93 0.00 0.00 -0.43 3.32 -0.62 -1.12 116.42 118.50 1cgt h ASP 220 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1cgt h ASP 220 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1cgt h ASP 220 CO 0.03 0.21 0.00 0.23 -1.72 0.00 0.00 179.24 177.99 1cgt n MET 221 N -3.95 0.85 0.00 3.56 2.81 -0.71 -4.91 117.12 114.77 1cgt n MET 221 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1cgt n MET 221 Cb 0.29 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1cgt n MET 221 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cgt n GLY 222 N 0.68 0.94 3.76 3.03 0.00 -0.42 -4.94 105.19 108.23 1cgt n GLY 222 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1cgt n GLY 222 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cgt s VAL 223 N -2.00 2.33 -0.85 1.61 -7.23 -1.20 -4.88 120.40 108.18 1cgt s VAL 223 Ca 0.00 0.25 0.18 0.00 -1.81 0.00 0.00 61.98 60.60 1cgt s VAL 223 Cb 0.00 -3.13 -0.20 0.00 0.56 0.00 0.00 36.38 33.62 1cgt s VAL 223 CO 0.00 -0.00 0.77 0.47 -0.31 0.00 0.00 175.10 176.02 1cgt n ASP 224 N -0.86 0.85 -3.60 4.85 8.00 -0.03 -4.86 116.55 120.90 1cgt n ASP 224 Ca 0.09 -0.92 -0.05 0.00 0.71 0.00 0.00 54.79 54.62 1cgt n ASP 224 Cb 0.46 1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 42.55 1cgt n ASP 224 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1cgt s GLY 225 N -2.73 -0.37 -0.03 0.44 0.00 -1.15 -3.53 107.32 99.95 1cgt s GLY 225 Ca 0.07 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.66 1cgt s GLY 225 CO 0.74 0.26 -0.04 -0.42 0.00 0.00 0.00 173.10 173.65 1cgt s ILE 226 N -2.95 0.44 -0.26 0.90 1.01 -0.37 -1.81 121.20 118.15 1cgt s ILE 226 Ca 0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 1cgt s ILE 226 Cb -0.00 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.01 1cgt s ILE 226 CO -0.05 0.19 0.02 -0.60 0.00 0.00 0.00 174.94 174.50 1cgt s ARG 227 N 0.71 3.14 -0.15 2.79 3.00 -0.02 -1.54 118.95 126.87 1cgt s ARG 227 Ca -0.09 -0.80 -0.19 0.00 -1.00 0.00 0.00 55.73 53.65 1cgt s ARG 227 Cb -0.12 -3.19 -0.03 0.00 0.00 0.00 0.00 34.95 31.60 1cgt s ARG 227 CO -0.00 -0.36 0.55 0.08 0.00 0.00 0.00 175.30 175.57 1cgt s VAL 228 N 1.46 5.11 0.29 7.11 1.01 0.11 -0.88 120.40 134.61 1cgt s VAL 228 Ca 0.03 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.79 1cgt s VAL 228 Cb -0.16 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1cgt s VAL 228 CO -0.00 0.23 0.95 -0.62 0.00 0.00 0.00 175.10 175.65 1cgt s ASP 229 N 0.93 7.45 -1.33 3.32 2.15 -0.50 -1.60 116.67 127.09 1cgt s ASP 229 Ca 0.27 1.91 -0.05 0.00 0.43 0.00 0.00 52.55 55.11 1cgt s ASP 229 Cb -0.16 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.89 1cgt s ASP 229 CO 0.11 0.01 0.98 0.00 -0.17 0.00 0.00 175.17 176.10 1cgt n ALA 230 N 0.95 -1.68 0.28 3.66 0.00 -1.25 -4.67 120.51 117.82 1cgt n ALA 230 Ca 0.00 0.10 0.17 0.00 0.00 0.00 0.00 53.44 53.71 1cgt n ALA 230 Cb 0.49 -3.60 0.78 0.00 0.00 0.00 0.00 19.45 17.12 1cgt n ALA 230 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1cgt h VAL 231 N -2.16 0.14 0.00 0.00 -1.51 -1.71 0.14 116.25 111.15 1cgt h VAL 231 Ca -0.59 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 1cgt h VAL 231 Cb 1.36 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1cgt h VAL 231 CO 0.56 0.04 0.00 1.17 -1.23 0.00 0.00 177.57 178.11 1cgt n LYS 232 N -3.20 0.07 -0.11 5.19 4.81 -1.26 -3.15 118.16 120.51 1cgt n LYS 232 Ca -0.01 0.28 0.04 0.00 -0.87 0.00 0.00 58.31 57.75 1cgt n LYS 232 Cb 0.26 -1.62 0.10 0.00 0.02 0.00 0.00 35.03 33.78 1cgt n LYS 232 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1cgt n HIS 233 N -1.75 0.29 -4.28 5.64 8.25 0.49 -4.54 115.22 119.32 1cgt n HIS 233 Ca 0.03 -0.48 -0.21 0.00 -0.26 0.00 0.00 57.72 56.80 1cgt n HIS 233 Cb 0.21 -0.03 -0.12 0.00 1.12 0.00 0.00 29.99 31.17 1cgt n HIS 233 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1cgt s MET 234 N -0.99 1.12 0.22 -0.41 -1.94 -1.19 -4.39 119.30 111.73 1cgt s MET 234 Ca 0.15 -1.26 -0.31 0.00 -1.71 0.00 0.00 55.69 52.56 1cgt s MET 234 Cb 0.08 -1.16 -0.10 0.00 2.01 0.00 0.00 34.83 35.66 1cgt s MET 234 CO 0.10 0.24 1.54 -2.14 -0.01 0.00 0.00 175.02 174.75 1cgt s PRO 235 N -2.47 4.21 0.25 2.03 0.02 -1.26 -4.91 135.00 132.87 1cgt s PRO 235 Ca 0.10 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.47 1cgt s PRO 235 Cb -0.07 -3.11 0.35 0.00 0.02 0.00 0.00 34.50 31.70 1cgt s PRO 235 CO 0.04 -0.55 1.85 1.25 -0.33 0.00 0.00 177.00 179.27 1cgt h LEU 236 N 5.76 0.87 -0.78 -5.54 6.46 -1.88 -2.13 115.31 118.07 1cgt h LEU 236 Ca -0.45 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.37 1cgt h LEU 236 Cb 1.21 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.93 1cgt h LEU 236 CO 0.84 0.55 0.49 1.23 -0.62 0.00 0.00 178.44 180.93 1cgt h GLY 237 N 1.00 1.14 0.98 3.75 0.00 -1.91 0.10 103.07 108.13 1cgt h GLY 237 Ca 0.39 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 1cgt h GLY 237 CO -0.18 0.30 -0.18 -0.25 0.00 0.00 0.00 176.54 176.23 1cgt h TRP 238 N 0.95 0.87 -0.60 5.60 7.01 -1.70 -2.51 115.95 125.55 1cgt h TRP 238 Ca 0.32 -0.22 -0.06 0.00 2.11 0.00 0.00 58.89 61.04 1cgt h TRP 238 Cb 0.05 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 1cgt h TRP 238 CO -0.03 0.95 0.15 1.96 -2.79 0.00 0.00 178.44 178.67 1cgt h GLN 239 N 0.53 0.94 -0.69 2.65 4.20 -0.67 0.41 115.11 122.48 1cgt h GLN 239 Ca 0.08 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1cgt h GLN 239 Cb 0.73 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1cgt h GLN 239 CO 0.05 0.83 0.17 -0.22 -0.67 0.00 0.00 178.83 179.00 1cgt h LYS 240 N 0.90 1.10 -0.48 1.46 3.64 -0.81 0.28 116.57 122.66 1cgt h LYS 240 Ca 0.19 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1cgt h LYS 240 Cb 0.32 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1cgt h LYS 240 CO -0.00 0.97 0.02 1.03 -2.27 0.00 0.00 179.45 179.20 1cgt h SER 241 N 1.03 0.82 -0.34 4.20 0.87 -1.07 -0.05 113.55 119.00 1cgt h SER 241 Ca 0.22 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1cgt h SER 241 Cb 0.37 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1cgt h SER 241 CO 0.00 0.91 0.08 -0.25 -0.53 0.00 0.00 176.83 177.04 1cgt h TRP 242 N 0.70 0.58 -0.99 2.24 7.01 -0.63 -2.57 115.95 122.30 1cgt h TRP 242 Ca 0.14 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.11 1cgt h TRP 242 Cb 0.48 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.32 1cgt h TRP 242 CO 0.04 0.59 0.64 0.52 -2.79 0.00 0.00 178.44 177.44 1cgt h MET 243 N 0.40 1.18 -0.07 2.65 2.86 -0.26 -1.55 114.93 120.14 1cgt h MET 243 Ca 0.11 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1cgt h MET 243 Cb 0.31 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1cgt h MET 243 CO 0.00 0.78 -0.34 0.66 1.06 0.00 0.00 176.91 179.08 1cgt h SER 244 N 1.22 0.13 0.43 1.22 4.64 -0.75 -1.47 113.55 118.99 1cgt h SER 244 Ca 0.40 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.55 1cgt h SER 244 Cb 0.05 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1cgt h SER 244 CO -0.13 0.47 -0.54 0.77 -0.87 0.00 0.00 176.83 176.52 1cgt h SER 245 N 0.12 0.13 0.07 4.97 4.64 -0.90 -2.06 113.55 120.52 1cgt h SER 245 Ca 0.01 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1cgt h SER 245 Cb 0.66 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1cgt h SER 245 CO 0.05 0.65 -0.03 0.40 -0.87 0.00 0.00 176.83 177.03 1cgt h ILE 246 N 0.09 1.10 0.00 0.95 2.04 -0.99 -2.31 117.51 118.40 1cgt h ILE 246 Ca -0.00 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1cgt h ILE 246 Cb 0.99 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1cgt h ILE 246 CO 0.08 0.15 -0.26 1.88 0.00 0.00 0.00 178.15 180.00 1cgt h TYR 247 N -0.37 0.00 0.00 1.37 0.05 -1.19 -0.06 116.97 116.77 1cgt h TYR 247 Ca -0.01 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 1cgt h TYR 247 Cb 0.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 1cgt h TYR 247 CO 0.02 0.26 -0.56 0.00 -1.05 0.00 0.00 178.16 176.82 1cgt h ALA 248 N 1.74 0.83 -0.12 3.88 0.00 -1.37 -3.35 119.26 120.88 1cgt h ALA 248 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1cgt h ALA 248 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1cgt h ALA 248 CO 0.03 0.70 0.00 1.58 0.00 0.00 0.00 179.25 181.56 1cgt n HIS 249 N -3.52 0.00 -3.45 0.00 -0.00 -0.22 -4.93 115.22 103.10 1cgt n HIS 249 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1cgt n HIS 249 Cb 0.64 -0.19 -0.11 0.00 -0.00 0.00 0.00 29.99 30.33 1cgt n HIS 249 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1cgt s LYS 250 N -0.96 0.50 0.15 1.57 1.02 -0.21 -5.10 119.74 116.72 1cgt s LYS 250 Ca 0.00 -1.07 -0.31 0.00 0.02 0.00 0.00 55.97 54.61 1cgt s LYS 250 Cb 0.00 -1.13 -0.10 0.00 -0.52 0.00 0.00 37.83 36.08 1cgt s LYS 250 CO 0.00 -1.17 1.69 -1.25 -0.92 0.00 0.00 175.35 173.69 1cgt s PRO 251 N 1.35 4.17 0.06 -1.68 0.04 -1.23 -4.65 135.00 133.06 1cgt s PRO 251 Ca 0.16 2.48 0.01 0.00 0.04 0.00 0.00 61.00 63.69 1cgt s PRO 251 Cb -0.20 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1cgt s PRO 251 CO -0.06 -0.73 -0.05 0.14 0.04 0.00 0.00 177.00 176.34 1cgt s VAL 252 N 1.83 0.45 0.04 -0.36 -7.23 -1.26 -4.52 120.40 109.34 1cgt s VAL 252 Ca 0.75 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 1cgt s VAL 252 Cb -0.45 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.19 1cgt s VAL 252 CO 0.33 -0.75 1.82 0.12 -0.31 0.00 0.00 175.10 176.30 1cgt s PHE 253 N -2.94 1.80 -0.06 2.82 5.36 0.26 -4.86 117.98 120.36 1cgt s PHE 253 Ca 0.02 -0.10 0.05 0.00 -0.96 0.00 0.00 56.93 55.94 1cgt s PHE 253 Cb 0.01 -4.11 -0.00 0.00 -0.34 0.00 0.00 43.02 38.57 1cgt s PHE 253 CO -0.05 -4.78 -0.20 0.99 -1.46 0.00 0.00 175.22 169.72 1cgt s THR 254 N 3.71 1.71 0.07 0.12 2.01 -1.26 -1.24 115.64 120.75 1cgt s THR 254 Ca 0.81 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1cgt s THR 254 Cb -0.41 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1cgt s THR 254 CO 0.36 0.48 -0.05 0.72 -0.69 0.00 0.00 174.62 175.45 1cgt s PHE 255 N 0.03 0.66 0.35 4.92 -0.71 -0.59 -2.22 117.98 120.41 1cgt s PHE 255 Ca -0.06 -0.95 0.05 0.00 -1.04 0.00 0.00 56.93 54.93 1cgt s PHE 255 Cb -0.13 -0.43 -0.07 0.00 -1.21 0.00 0.00 43.02 41.18 1cgt s PHE 255 CO 0.03 -0.26 0.04 0.20 -1.34 0.00 0.00 175.22 173.90 1cgt s GLY 256 N -2.81 2.21 -0.32 1.99 0.00 0.51 -0.71 107.32 108.18 1cgt s GLY 256 Ca 0.07 -2.14 -0.08 0.00 0.00 0.00 0.00 44.72 42.57 1cgt s GLY 256 CO -0.07 -1.91 0.12 1.85 0.00 0.00 0.00 173.10 173.10 1cgt s GLU 257 N -3.84 2.95 -0.35 2.90 2.12 -0.62 -0.69 118.70 121.16 1cgt s GLU 257 Ca 0.36 -0.97 0.02 0.00 0.36 0.00 0.00 54.97 54.74 1cgt s GLU 257 Cb 0.09 -3.49 0.11 0.00 0.26 0.00 0.00 34.13 31.10 1cgt s GLU 257 CO 0.16 -0.55 0.10 -0.46 -0.54 0.00 0.00 175.26 173.98 1cgt s TRP 258 N 1.50 2.64 0.36 5.30 -0.11 -1.26 -2.53 118.94 124.84 1cgt s TRP 258 Ca 0.02 -2.40 -0.28 0.00 1.22 0.00 0.00 56.10 54.65 1cgt s TRP 258 Cb -0.18 -2.28 -0.11 0.00 -1.50 0.00 0.00 33.47 29.40 1cgt s TRP 258 CO 0.04 -0.89 1.47 0.12 -4.62 0.00 0.00 176.95 173.07 1cgt s PHE 259 N 1.08 2.68 0.02 5.86 5.36 -1.26 -4.85 117.98 126.86 1cgt s PHE 259 Ca 0.12 1.17 0.01 0.00 -0.96 0.00 0.00 56.93 57.27 1cgt s PHE 259 Cb -0.19 -3.97 -0.02 0.00 -0.34 0.00 0.00 43.02 38.50 1cgt s PHE 259 CO -0.14 -2.87 -0.06 -0.51 -1.46 0.00 0.00 175.22 170.19 1cgt s LEU 260 N -1.88 2.16 0.00 6.12 1.43 -1.26 -5.06 118.68 120.18 1cgt s LEU 260 Ca 0.53 -0.36 0.18 0.00 -1.03 0.00 0.00 54.13 53.45 1cgt s LEU 260 Cb -0.46 -0.14 0.43 0.00 0.03 0.00 0.00 46.19 46.06 1cgt s LEU 260 CO 0.60 -0.12 1.35 0.61 0.23 0.00 0.00 176.35 179.02 1cgt n GLY 261 N 2.07 2.13 3.12 -3.19 0.00 -1.26 -4.84 105.19 103.22 1cgt n GLY 261 Ca -0.19 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1cgt n GLY 261 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cgt n SER 262 N 1.17 -1.54 -0.28 1.61 3.41 -1.26 -5.02 113.62 111.71 1cgt n SER 262 Ca 0.18 -2.57 0.15 0.00 -0.26 0.00 0.00 58.87 56.36 1cgt n SER 262 Cb 0.53 2.71 0.65 0.00 -0.26 0.00 0.00 64.21 67.84 1cgt n SER 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cgt n ALA 263 N -0.92 2.66 -1.78 7.33 0.00 -1.26 -4.22 120.51 122.32 1cgt n ALA 263 Ca -0.13 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.61 1cgt n ALA 263 Cb 0.52 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 1cgt n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cgt s ALA 264 N -2.09 2.75 0.39 0.00 0.00 -1.26 -4.86 121.76 116.70 1cgt s ALA 264 Ca 0.39 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.89 1cgt s ALA 264 Cb 0.21 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 1cgt s ALA 264 CO 0.37 -0.70 1.36 0.43 0.00 0.00 0.00 175.76 177.22 1cgt n SER 265 N -1.15 3.04 -3.99 0.00 7.64 -1.26 -4.97 113.62 112.93 1cgt n SER 265 Ca 0.11 1.17 -0.28 0.00 1.01 0.00 0.00 58.87 60.87 1cgt n SER 265 Cb 0.51 -1.54 -0.17 0.00 -1.01 0.00 0.00 64.21 62.00 1cgt n SER 265 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cgt s ASP 266 N -0.36 2.42 0.25 6.43 2.15 -1.26 -5.03 116.67 121.26 1cgt s ASP 266 Ca 0.58 -0.41 -0.06 0.00 0.43 0.00 0.00 52.55 53.09 1cgt s ASP 266 Cb -0.51 -1.03 0.26 0.00 -0.30 0.00 0.00 42.92 41.34 1cgt s ASP 266 CO 0.61 -0.06 1.89 0.00 -0.17 0.00 0.00 175.17 177.44 1cgt h ALA 267 N 7.90 1.23 -0.28 3.66 0.00 -1.99 -0.57 119.26 129.22 1cgt h ALA 267 Ca -0.34 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1cgt h ALA 267 Cb 1.14 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1cgt h ALA 267 CO 0.48 0.65 -0.25 -0.44 0.00 0.00 0.00 179.25 179.69 1cgt h ASP 268 N 1.26 0.55 -0.26 0.00 3.32 -1.99 -0.78 116.42 118.53 1cgt h ASP 268 Ca 0.33 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1cgt h ASP 268 Cb -0.04 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1cgt h ASP 268 CO -0.06 0.79 -0.40 -1.13 -1.72 0.00 0.00 179.24 176.72 1cgt h ASN 269 N 0.48 0.80 -0.33 6.45 -0.73 -1.86 -1.78 115.58 118.62 1cgt h ASN 269 Ca 0.07 -0.52 -0.02 0.00 1.87 0.00 0.00 56.30 57.70 1cgt h ASN 269 Cb 0.69 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 1cgt h ASN 269 CO 0.05 1.16 0.12 0.74 -0.37 0.00 0.00 177.43 179.13 1cgt h THR 270 N 0.46 1.20 -0.94 -3.57 2.02 -0.88 -2.30 112.91 108.89 1cgt h THR 270 Ca 0.02 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1cgt h THR 270 Cb 0.99 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 1cgt h THR 270 CO 0.09 0.21 0.62 0.44 0.37 0.00 0.00 175.52 177.25 1cgt h ASP 271 N 0.37 1.05 -0.26 4.18 3.32 -1.09 -1.01 116.42 122.99 1cgt h ASP 271 Ca 0.11 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1cgt h ASP 271 Cb 0.22 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1cgt h ASP 271 CO -0.01 0.74 0.15 0.15 -1.72 0.00 0.00 179.24 178.56 1cgt h PHE 272 N 1.23 0.35 -0.33 4.55 3.04 -1.09 0.27 116.94 124.96 1cgt h PHE 272 Ca 0.36 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.25 1cgt h PHE 272 Cb -0.07 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 1cgt h PHE 272 CO -0.01 0.28 -0.01 0.00 -2.02 0.00 0.00 178.31 176.55 1cgt h ALA 273 N 1.04 1.36 0.00 2.41 0.00 -1.00 -1.42 119.26 121.64 1cgt h ALA 273 Ca 0.09 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1cgt h ALA 273 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1cgt h ALA 273 CO -0.02 0.44 -0.91 -0.91 0.00 0.00 0.00 179.25 177.86 1cgt h ASN 274 N 0.50 0.00 0.00 0.00 2.35 -0.71 -3.41 115.58 114.31 1cgt h ASN 274 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1cgt h ASN 274 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1cgt h ASN 274 CO 0.01 0.57 -0.76 0.29 -1.65 0.00 0.00 177.43 175.90 1cgt n LYS 275 N -3.10 2.58 0.18 0.81 5.02 0.89 -4.72 118.16 119.83 1cgt n LYS 275 Ca -0.03 -0.02 0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1cgt n LYS 275 Cb 0.79 -0.93 0.19 0.00 -0.02 0.00 0.00 35.03 35.06 1cgt n LYS 275 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1cgt h SER 276 N 0.00 0.00 0.00 4.39 4.64 -1.44 -3.48 113.55 117.66 1cgt h SER 276 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cgt h SER 276 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1cgt h SER 276 CO 0.00 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 1cgt n GLY 277 N 0.88 0.41 3.30 -0.77 0.00 -1.26 -3.96 105.19 103.79 1cgt n GLY 277 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1cgt n GLY 277 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1cgt s MET 278 N -0.91 1.23 0.00 1.61 0.23 -1.26 -4.86 119.30 115.34 1cgt s MET 278 Ca 0.00 -1.58 0.00 0.00 -1.03 0.00 0.00 55.69 53.08 1cgt s MET 278 Cb 0.00 -0.71 0.00 0.00 -1.53 0.00 0.00 34.83 32.59 1cgt s MET 278 CO 0.00 0.02 0.00 -1.13 -2.03 0.00 0.00 175.02 171.88 1cgt n SER 279 N -0.33 0.00 -4.15 -1.18 3.41 -0.94 -4.59 113.62 105.83 1cgt n SER 279 Ca -0.08 -0.93 -0.11 0.00 -0.26 0.00 0.00 58.87 57.49 1cgt n SER 279 Cb 0.62 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 1cgt n SER 279 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cgt s LEU 280 N 0.00 2.46 0.18 1.04 1.02 -1.26 -0.37 118.68 121.76 1cgt s LEU 280 Ca 0.00 -0.92 -0.31 0.00 0.02 0.00 0.00 54.13 52.92 1cgt s LEU 280 Cb 0.00 -0.10 -0.09 0.00 0.02 0.00 0.00 46.19 46.02 1cgt s LEU 280 CO 0.00 -0.41 1.44 -0.76 0.02 0.00 0.00 176.35 176.64 1cgt s LEU 281 N -2.77 4.38 -1.08 1.79 1.43 0.13 -1.43 118.68 121.14 1cgt s LEU 281 Ca 0.08 2.52 -0.16 0.00 -1.03 0.00 0.00 54.13 55.54 1cgt s LEU 281 Cb 0.02 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.79 1cgt s LEU 281 CO -0.04 -0.70 1.30 -0.62 0.23 0.00 0.00 176.35 176.53 1cgt s ASP 282 N 0.78 6.87 0.44 2.29 -1.08 0.46 -4.78 116.67 121.65 1cgt s ASP 282 Ca 0.63 -2.57 0.24 0.00 -0.52 0.00 0.00 52.55 50.33 1cgt s ASP 282 Cb -0.40 -2.40 0.87 0.00 -1.46 0.00 0.00 42.92 39.53 1cgt s ASP 282 CO 0.36 -0.89 1.80 -0.26 0.52 0.00 0.00 175.17 176.70 1cgt h PHE 283 N 7.90 0.00 -0.30 -5.34 -1.00 -1.88 -1.95 116.94 114.36 1cgt h PHE 283 Ca 0.25 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.90 1cgt h PHE 283 Cb 0.94 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.50 1cgt h PHE 283 CO 1.13 0.22 -0.30 0.00 -1.61 0.00 0.00 178.31 177.75 1cgt h ARG 284 N 0.00 0.74 -0.22 1.51 3.08 -1.87 -0.59 114.38 117.04 1cgt h ARG 284 Ca -0.00 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 1cgt h ARG 284 Cb 0.78 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1cgt h ARG 284 CO 0.03 1.01 0.13 0.35 -1.07 0.00 0.00 179.97 180.42 1cgt h PHE 285 N 0.49 0.30 -0.53 3.04 3.04 -1.87 -2.63 116.94 118.78 1cgt h PHE 285 Ca 0.05 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.07 1cgt h PHE 285 Cb 0.87 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 39.23 1cgt h PHE 285 CO 0.07 0.24 0.20 -0.97 -2.02 0.00 0.00 178.31 175.83 1cgt h ASN 286 N 0.27 0.22 -0.50 0.41 -0.73 -1.29 -0.98 115.58 112.97 1cgt h ASN 286 Ca 0.08 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1cgt h ASN 286 Cb 0.03 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 1cgt h ASN 286 CO -0.01 0.15 0.24 0.28 -0.37 0.00 0.00 177.43 177.72 1cgt h SER 287 N 0.39 0.66 -0.49 1.15 0.02 -0.94 -1.04 113.55 113.31 1cgt h SER 287 Ca 0.26 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1cgt h SER 287 Cb 0.27 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1cgt h SER 287 CO -0.25 0.61 0.20 0.00 -1.14 0.00 0.00 176.83 176.24 1cgt h ALA 288 N 1.08 0.64 -0.61 3.77 0.00 -1.23 -0.25 119.26 122.66 1cgt h ALA 288 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1cgt h ALA 288 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1cgt h ALA 288 CO -0.02 0.24 0.35 0.28 0.00 0.00 0.00 179.25 180.10 1cgt h VAL 289 N 0.65 1.19 -0.20 0.00 2.07 -0.81 -0.88 116.25 118.28 1cgt h VAL 289 Ca 0.16 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 1cgt h VAL 289 Cb 0.19 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1cgt h VAL 289 CO -0.01 0.20 -0.54 0.03 0.02 0.00 0.00 177.57 177.27 1cgt h ARG 290 N 0.83 0.58 -0.68 1.57 3.08 -0.94 -0.78 114.38 118.04 1cgt h ARG 290 Ca 0.22 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1cgt h ARG 290 Cb 0.02 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1cgt h ARG 290 CO -0.04 0.97 0.21 -0.91 -1.07 0.00 0.00 179.97 179.13 1cgt h ASN 291 N 0.45 0.99 0.03 7.04 2.35 -0.53 0.11 115.58 126.01 1cgt h ASN 291 Ca 0.01 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1cgt h ASN 291 Cb 1.09 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 39.20 1cgt h ASN 291 CO 0.10 0.94 -0.25 0.58 -1.65 0.00 0.00 177.43 177.15 1cgt h VAL 292 N 0.99 1.66 0.00 2.81 2.07 -1.10 0.14 116.25 122.82 1cgt h VAL 292 Ca 0.22 -2.25 -0.31 0.00 0.82 0.00 0.00 66.70 65.17 1cgt h VAL 292 Cb 0.30 3.16 -0.06 0.00 -1.52 0.00 0.00 31.29 33.18 1cgt h VAL 292 CO -0.01 0.60 -1.91 0.49 0.02 0.00 0.00 177.57 176.77 1cgt n PHE 293 N -4.48 0.72 -0.10 1.57 3.72 -0.31 -4.21 117.46 114.37 1cgt n PHE 293 Ca -0.11 0.26 -0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1cgt n PHE 293 Cb 0.56 -1.13 -0.04 0.00 -0.94 0.00 0.00 39.48 37.92 1cgt n PHE 293 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1cgt n ARG 294 N -2.97 0.53 0.00 -1.08 0.63 -0.27 -4.75 116.66 108.75 1cgt n ARG 294 Ca -0.22 0.29 0.10 0.00 -0.92 0.00 0.00 57.85 57.10 1cgt n ARG 294 Cb 1.08 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 32.45 1cgt n ARG 294 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1cgt n ASP 295 N -4.45 1.07 -2.75 6.15 8.00 0.22 -4.90 116.55 119.89 1cgt n ASP 295 Ca -0.21 -0.98 -0.22 0.00 0.71 0.00 0.00 54.79 54.10 1cgt n ASP 295 Cb 0.55 0.83 0.02 0.00 -0.02 0.00 0.00 41.12 42.49 1cgt n ASP 295 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1cgt n ASN 296 N -1.29 -6.04 0.00 -2.24 3.02 -0.57 -4.89 115.26 103.24 1cgt n ASN 296 Ca 0.05 -0.19 0.10 0.00 -0.03 0.00 0.00 54.58 54.52 1cgt n ASN 296 Cb 0.35 -4.93 -0.08 0.00 -0.61 0.00 0.00 39.78 34.51 1cgt n ASN 296 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1cgt n THR 297 N -4.33 0.00 -4.27 3.41 -2.24 -0.07 -4.94 114.28 101.84 1cgt n THR 297 Ca -0.16 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 1cgt n THR 297 Cb 0.65 0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 1cgt n THR 297 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1cgt s SER 298 N -3.07 1.56 0.35 3.42 0.01 -1.08 -5.00 113.70 109.89 1cgt s SER 298 Ca 0.08 -1.13 0.03 0.00 1.31 0.00 0.00 55.95 56.23 1cgt s SER 298 Cb 0.16 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.47 1cgt s SER 298 CO 0.85 -0.48 0.22 -0.46 0.41 0.00 0.00 173.24 173.79 1cgt n ASN 299 N -0.27 2.24 0.29 2.44 0.23 -1.26 -4.24 115.26 114.68 1cgt n ASN 299 Ca -0.07 -2.25 0.17 0.00 -0.53 0.00 0.00 54.58 51.89 1cgt n ASN 299 Cb 0.63 0.01 0.95 0.00 -2.08 0.00 0.00 39.78 39.28 1cgt n ASN 299 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1cgt h MET 300 N 0.00 0.00 -0.02 -3.83 2.86 -1.50 -0.35 114.93 112.09 1cgt h MET 300 Ca -0.23 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.35 1cgt h MET 300 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1cgt h MET 300 CO 0.37 0.00 -0.26 1.88 1.06 0.00 0.00 176.91 179.95 1cgt h TYR 301 N 0.00 0.04 -0.01 -0.22 0.05 -1.84 -1.85 116.97 113.13 1cgt h TYR 301 Ca 0.01 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 1cgt h TYR 301 Cb 0.10 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1cgt h TYR 301 CO 0.00 0.30 -0.46 0.00 -1.05 0.00 0.00 178.16 176.95 1cgt h ALA 302 N 1.70 1.23 -0.02 3.88 0.00 -1.44 -0.74 119.26 123.87 1cgt h ALA 302 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1cgt h ALA 302 Cb 0.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1cgt h ALA 302 CO 0.04 0.58 0.00 1.25 0.00 0.00 0.00 179.25 181.11 1cgt h LEU 303 N 0.02 0.04 -0.85 0.00 5.85 -1.42 -1.68 115.31 117.27 1cgt h LEU 303 Ca -0.00 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 1cgt h LEU 303 Cb 0.82 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1cgt h LEU 303 CO 0.06 0.33 0.11 -0.78 -0.34 0.00 0.00 178.44 177.82 1cgt h ASP 304 N -0.25 0.91 -0.38 1.25 3.58 -1.35 -0.96 116.42 119.23 1cgt h ASP 304 Ca 0.01 -0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.17 1cgt h ASP 304 Cb 0.31 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1cgt h ASP 304 CO 0.00 0.91 -0.08 -1.28 -2.88 0.00 0.00 179.24 175.91 1cgt h SER 305 N 0.91 0.80 -0.42 2.28 0.87 -1.09 -1.17 113.55 115.73 1cgt h SER 305 Ca 0.19 -0.23 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 1cgt h SER 305 Cb 0.38 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1cgt h SER 305 CO 0.01 0.91 -0.21 -0.03 -0.53 0.00 0.00 176.83 176.98 1cgt h MET 306 N 0.74 0.93 -0.36 2.24 1.85 -0.82 -1.16 114.93 118.35 1cgt h MET 306 Ca 0.13 -0.38 0.02 0.00 -0.61 0.00 0.00 59.70 58.86 1cgt h MET 306 Cb 0.57 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.53 1cgt h MET 306 CO 0.03 1.04 0.20 0.82 -0.40 0.00 0.00 176.91 178.60 1cgt h ILE 307 N 0.80 1.01 -0.31 1.77 1.08 -0.75 -0.93 117.51 120.17 1cgt h ILE 307 Ca 0.11 -0.14 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 1cgt h ILE 307 Cb 0.76 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 1cgt h ILE 307 CO 0.06 0.07 -0.19 0.78 -0.69 0.00 0.00 178.15 178.19 1cgt h ASN 308 N 0.40 0.71 -0.32 1.72 2.35 -1.06 -2.52 115.58 116.86 1cgt h ASN 308 Ca 0.15 -0.42 -0.14 0.00 -0.55 0.00 0.00 56.30 55.34 1cgt h ASN 308 Cb 0.04 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1cgt h ASN 308 CO -0.09 0.98 -0.34 -1.28 -1.65 0.00 0.00 177.43 175.05 1cgt h SER 309 N 0.44 0.85 -0.08 5.81 0.87 -1.14 -2.00 113.55 118.30 1cgt h SER 309 Ca 0.07 -0.48 -0.09 0.00 -1.23 0.00 0.00 61.79 60.06 1cgt h SER 309 Cb 0.73 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1cgt h SER 309 CO 0.05 1.15 -0.21 0.71 -0.53 0.00 0.00 176.83 178.00 1cgt h THR 310 N 0.56 1.26 0.00 2.23 1.35 -1.23 0.23 112.91 117.30 1cgt h THR 310 Ca 0.05 -1.20 -0.06 0.00 -0.55 0.00 0.00 66.41 64.65 1cgt h THR 310 Cb 0.92 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1cgt h THR 310 CO 0.08 0.38 -0.31 0.00 -0.25 0.00 0.00 175.52 175.43 1cgt h ALA 311 N 1.33 1.42 -0.00 6.62 0.00 -1.29 -1.97 119.26 125.37 1cgt h ALA 311 Ca 0.07 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1cgt h ALA 311 Cb 0.62 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1cgt h ALA 311 CO 0.04 0.39 -0.33 1.15 0.00 0.00 0.00 179.25 180.50 1cgt h THR 312 N 0.00 1.52 -0.21 0.00 2.02 -0.72 -3.39 112.91 112.14 1cgt h THR 312 Ca -0.00 -1.98 -0.15 0.00 0.77 0.00 0.00 66.41 65.05 1cgt h THR 312 Cb 0.57 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1cgt h THR 312 CO 0.04 0.55 -0.45 0.44 0.37 0.00 0.00 175.52 176.47 1cgt h ASP 313 N -0.42 0.75 -3.31 4.18 3.32 -0.50 -3.44 116.42 117.01 1cgt h ASP 313 Ca -0.04 -0.55 -0.57 0.00 0.02 0.00 0.00 57.03 55.88 1cgt h ASP 313 Cb 1.08 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 40.34 1cgt h ASP 313 CO 0.06 1.17 -0.08 -0.31 -1.72 0.00 0.00 179.24 178.37 1cgt s TYR 314 N -4.03 3.57 0.21 4.55 2.02 -0.78 -4.96 117.35 117.92 1cgt s TYR 314 Ca -0.12 1.02 -0.10 0.00 -0.37 0.00 0.00 57.07 57.50 1cgt s TYR 314 Cb 0.08 -2.59 0.16 0.00 -0.40 0.00 0.00 41.96 39.20 1cgt s TYR 314 CO 0.84 0.21 1.87 -0.91 -1.57 0.00 0.00 175.55 176.00 1cgt h ASN 315 N 6.41 0.89 -3.20 2.29 2.35 -1.88 -3.29 115.58 119.15 1cgt h ASN 315 Ca -0.42 -0.04 -0.62 0.00 -0.55 0.00 0.00 56.30 54.67 1cgt h ASN 315 Cb 1.19 -0.22 -0.41 0.00 0.05 0.00 0.00 38.32 38.92 1cgt h ASN 315 CO 0.74 0.66 -0.66 -1.10 -1.65 0.00 0.00 177.43 175.42 1cgt s GLN 316 N -6.07 2.06 0.55 0.81 1.11 -1.26 -4.94 119.66 111.92 1cgt s GLN 316 Ca -0.13 -2.94 0.22 0.00 0.01 0.00 0.00 55.36 52.52 1cgt s GLN 316 Cb 0.15 -3.01 1.52 0.00 -1.01 0.00 0.00 33.01 30.67 1cgt s GLN 316 CO 0.79 -1.27 2.20 -0.24 0.01 0.00 0.00 175.29 176.78 1cgt h VAL 317 N 4.65 0.78 0.00 1.09 3.04 -1.87 -0.84 116.25 123.10 1cgt h VAL 317 Ca 0.12 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1cgt h VAL 317 Cb 0.81 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 1cgt h VAL 317 CO 0.64 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.79 1cgt n ASN 318 N -4.22 0.00 -0.49 3.17 5.03 -1.26 -2.21 115.26 115.28 1cgt n ASN 318 Ca -0.03 0.25 0.13 0.00 0.87 0.00 0.00 54.58 55.80 1cgt n ASN 318 Cb 0.09 -0.39 0.37 0.00 -1.02 0.00 0.00 39.78 38.83 1cgt n ASN 318 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1cgt n ASP 319 N -1.39 1.66 -4.79 6.41 8.00 -0.32 -4.13 116.55 121.99 1cgt n ASP 319 Ca 0.07 -1.42 -0.38 0.00 0.71 0.00 0.00 54.79 53.77 1cgt n ASP 319 Cb 0.20 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 1cgt n ASP 319 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cgt s GLN 320 N -2.18 4.47 -0.28 -1.24 -1.52 -0.94 -4.47 119.66 113.50 1cgt s GLN 320 Ca 0.31 1.07 -0.13 0.00 -1.95 0.00 0.00 55.36 54.66 1cgt s GLN 320 Cb 0.20 -3.13 -0.04 0.00 -0.22 0.00 0.00 33.01 29.83 1cgt s GLN 320 CO 0.40 0.51 0.29 0.08 -0.25 0.00 0.00 175.29 176.32 1cgt s VAL 321 N -1.28 5.23 0.28 1.09 1.01 -0.51 -0.39 120.40 125.83 1cgt s VAL 321 Ca 0.38 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.74 1cgt s VAL 321 Cb -0.21 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1cgt s VAL 321 CO 0.24 0.16 0.40 0.42 0.00 0.00 0.00 175.10 176.32 1cgt s THR 322 N 1.93 4.71 -0.12 3.92 -4.23 0.18 -0.40 115.64 121.63 1cgt s THR 322 Ca 0.11 -1.01 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 1cgt s THR 322 Cb -0.16 -3.65 0.12 0.00 1.34 0.00 0.00 72.50 70.16 1cgt s THR 322 CO 0.11 -0.26 1.04 0.72 -0.54 0.00 0.00 174.62 175.69 1cgt s PHE 323 N -2.07 -0.26 -0.56 3.99 -0.71 -1.26 -0.62 117.98 116.49 1cgt s PHE 323 Ca 0.39 0.25 0.22 0.00 -1.04 0.00 0.00 56.93 56.75 1cgt s PHE 323 Cb -0.09 0.51 -0.15 0.00 -1.21 0.00 0.00 43.02 42.08 1cgt s PHE 323 CO 0.30 -0.36 0.83 0.44 -1.34 0.00 0.00 175.22 175.09 1cgt n ILE 324 N 0.06 0.08 -3.84 -4.49 -5.35 -1.26 -4.34 119.36 100.21 1cgt n ILE 324 Ca -0.05 -0.25 -0.03 0.00 -0.27 0.00 0.00 62.75 62.15 1cgt n ILE 324 Cb 0.60 0.38 0.01 0.00 -1.74 0.00 0.00 39.64 38.88 1cgt n ILE 324 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1cgt s ASP 325 N -3.84 -0.04 0.00 7.28 1.47 -1.26 -4.70 116.67 115.58 1cgt s ASP 325 Ca 0.02 -0.59 0.00 0.00 1.18 0.00 0.00 52.55 53.16 1cgt s ASP 325 Cb 0.15 0.48 0.00 0.00 -0.34 0.00 0.00 42.92 43.21 1cgt s ASP 325 CO 0.85 -0.94 0.00 -0.46 0.68 0.00 0.00 175.17 175.31 1cgt n ASN 326 N -1.01 0.00 0.16 2.11 0.23 -1.26 -4.52 115.26 110.97 1cgt n ASN 326 Ca -0.04 -0.96 0.09 0.00 -0.53 0.00 0.00 54.58 53.14 1cgt n ASN 326 Cb 0.60 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.79 1cgt n ASN 326 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cgt n HIS 327 N 0.00 0.61 -0.16 -2.53 1.44 -1.26 -3.00 115.22 110.32 1cgt n HIS 327 Ca 0.00 0.32 0.09 0.00 -2.01 0.00 0.00 57.72 56.12 1cgt n HIS 327 Cb 0.00 -0.92 0.22 0.00 0.12 0.00 0.00 29.99 29.41 1cgt n HIS 327 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1cgt n ASP 328 N -2.17 3.36 -3.52 4.39 8.00 -1.26 -4.86 116.55 120.49 1cgt n ASP 328 Ca -0.01 -1.97 -0.12 0.00 0.71 0.00 0.00 54.79 53.40 1cgt n ASP 328 Cb 0.15 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.89 1cgt n ASP 328 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cgt s MET 329 N -1.05 1.79 0.43 -1.24 0.23 -1.16 -5.03 119.30 113.26 1cgt s MET 329 Ca 0.35 -1.54 -0.25 0.00 -1.03 0.00 0.00 55.69 53.22 1cgt s MET 329 Cb 0.19 0.47 -0.08 0.00 -1.53 0.00 0.00 34.83 33.87 1cgt s MET 329 CO 0.25 -0.75 1.25 -0.51 -2.03 0.00 0.00 175.02 173.22 1cgt s ASP 330 N -3.14 6.21 0.46 -1.18 1.01 -1.26 -4.57 116.67 114.20 1cgt s ASP 330 Ca 0.26 2.52 -0.23 0.00 0.71 0.00 0.00 52.55 55.81 1cgt s ASP 330 Cb -0.01 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 1cgt s ASP 330 CO 0.15 -0.90 1.06 0.54 0.21 0.00 0.00 175.17 176.22 1cgt n ARG 331 N -0.14 1.38 -0.07 8.23 5.12 -0.71 -4.81 116.66 125.66 1cgt n ARG 331 Ca 0.05 0.50 -0.10 0.00 -1.93 0.00 0.00 57.85 56.38 1cgt n ARG 331 Cb 0.45 -2.15 -0.02 0.00 -1.16 0.00 0.00 32.46 29.58 1cgt n ARG 331 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1cgt h PHE 332 N 1.43 0.35 -3.05 -1.55 3.04 -1.85 -3.41 116.94 111.90 1cgt h PHE 332 Ca -0.46 0.00 -0.54 0.00 3.98 0.00 0.00 57.97 60.95 1cgt h PHE 332 Cb 1.33 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 39.73 1cgt h PHE 332 CO 0.43 0.25 0.69 0.21 -2.02 0.00 0.00 178.31 177.87 1cgt s LYS 333 N -6.04 4.35 0.11 1.11 2.47 -1.26 -4.90 119.74 115.57 1cgt s LYS 333 Ca -0.13 1.90 -0.01 0.00 -1.56 0.00 0.00 55.97 56.17 1cgt s LYS 333 Cb 0.09 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 33.02 1cgt s LYS 333 CO 0.71 -0.41 0.01 0.99 0.16 0.00 0.00 175.35 176.81 1cgt s THR 334 N 1.52 0.24 0.31 3.43 2.01 -1.26 -4.39 115.64 117.49 1cgt s THR 334 Ca 0.61 -1.89 0.00 0.00 0.31 0.00 0.00 61.69 60.73 1cgt s THR 334 Cb -0.32 -1.86 0.20 0.00 0.01 0.00 0.00 72.50 70.54 1cgt s THR 334 CO 0.28 -0.67 1.90 0.77 -0.69 0.00 0.00 174.62 176.21 1cgt h SER 335 N 2.95 0.76 0.39 3.53 4.64 -2.00 -1.32 113.55 122.51 1cgt h SER 335 Ca -0.35 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1cgt h SER 335 Cb 1.18 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1cgt h SER 335 CO 0.62 0.66 0.00 0.00 -0.87 0.00 0.00 176.83 177.24 1cgt n ALA 336 N -2.45 1.66 -3.11 5.18 0.00 -1.26 -4.72 120.51 115.82 1cgt n ALA 336 Ca 0.05 -0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1cgt n ALA 336 Cb 0.15 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 1cgt n ALA 336 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1cgt s VAL 337 N -2.87 4.18 0.55 0.00 1.01 -0.50 -5.09 120.40 117.68 1cgt s VAL 337 Ca 0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1cgt s VAL 337 Cb 0.09 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 1cgt s VAL 337 CO 0.23 0.36 1.00 0.54 0.00 0.00 0.00 175.10 177.23 1cgt s ASN 338 N 1.48 6.49 0.36 3.32 4.22 -1.26 -4.51 114.94 125.04 1cgt s ASN 338 Ca 0.06 1.54 0.08 0.00 -2.14 0.00 0.00 52.86 52.40 1cgt s ASN 338 Cb -0.15 -2.50 0.80 0.00 1.28 0.00 0.00 41.25 40.69 1cgt s ASN 338 CO 0.03 -0.69 1.89 0.78 -2.04 0.00 0.00 177.10 177.07 1cgt h ASN 339 N 0.58 0.65 0.20 3.54 4.21 -1.98 -0.97 115.58 121.81 1cgt h ASN 339 Ca -0.46 0.03 -0.08 0.00 1.21 0.00 0.00 56.30 57.00 1cgt h ASN 339 Cb 1.19 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 1cgt h ASN 339 CO 0.61 0.35 -0.30 -0.09 -1.29 0.00 0.00 177.43 176.72 1cgt h ARG 340 N 0.70 0.15 -0.18 0.81 9.65 -1.98 -1.01 114.38 122.52 1cgt h ARG 340 Ca 0.41 -0.05 -0.13 0.00 -1.10 0.00 0.00 59.98 59.11 1cgt h ARG 340 Cb 0.61 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1cgt h ARG 340 CO -0.18 0.44 -0.45 0.00 2.80 0.00 0.00 179.97 182.58 1cgt h ARG 341 N 0.14 0.46 -0.35 0.20 2.47 -1.49 -0.29 114.38 115.51 1cgt h ARG 341 Ca 0.02 -0.25 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 1cgt h ARG 341 Cb 0.60 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1cgt h ARG 341 CO 0.04 0.82 -0.09 1.25 0.56 0.00 0.00 179.97 182.56 1cgt h LEU 342 N 0.37 0.69 -0.85 3.04 7.12 -1.32 -1.00 115.31 123.35 1cgt h LEU 342 Ca 0.03 -0.36 -0.03 0.00 0.13 0.00 0.00 57.88 57.64 1cgt h LEU 342 Cb 0.94 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.84 1cgt h LEU 342 CO 0.08 0.89 0.41 -0.33 -0.13 0.00 0.00 178.44 179.37 1cgt h GLU 343 N 0.47 1.23 -0.36 1.25 5.08 -0.91 -0.08 114.58 121.26 1cgt h GLU 343 Ca 0.09 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1cgt h GLU 343 Cb 0.59 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1cgt h GLU 343 CO 0.04 0.94 0.05 1.96 -1.00 0.00 0.00 179.01 180.99 1cgt h GLN 344 N 1.22 0.61 -0.33 2.33 4.20 -0.98 -0.46 115.11 121.69 1cgt h GLN 344 Ca 0.29 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1cgt h GLN 344 Cb 0.11 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1cgt h GLN 344 CO -0.04 0.68 -0.05 0.00 -0.67 0.00 0.00 178.83 178.76 1cgt h ALA 345 N 0.90 1.29 -0.07 3.87 0.00 -0.82 0.00 119.26 124.43 1cgt h ALA 345 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1cgt h ALA 345 Cb 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1cgt h ALA 345 CO 0.01 0.47 0.01 -0.07 0.00 0.00 0.00 179.25 179.68 1cgt h LEU 346 N 0.51 0.11 -0.71 0.00 3.38 -0.85 -1.53 115.31 116.22 1cgt h LEU 346 Ca 0.10 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1cgt h LEU 346 Cb 0.41 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1cgt h LEU 346 CO 0.02 0.32 0.43 0.00 0.09 0.00 0.00 178.44 179.30 1cgt h ALA 347 N 0.79 0.93 0.10 1.53 0.00 -0.51 -0.97 119.26 121.12 1cgt h ALA 347 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cgt h ALA 347 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1cgt h ALA 347 CO 0.00 0.19 -0.05 0.35 0.00 0.00 0.00 179.25 179.74 1cgt h PHE 348 N 0.83 -0.12 -0.93 0.00 3.57 -0.96 -2.76 116.94 116.58 1cgt h PHE 348 Ca 0.29 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1cgt h PHE 348 Cb 0.06 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1cgt h PHE 348 CO -0.05 0.03 0.60 1.15 -2.23 0.00 0.00 178.31 177.81 1cgt h THR 349 N -0.25 1.24 0.00 4.41 2.02 -1.01 -1.62 112.91 117.71 1cgt h THR 349 Ca -0.01 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1cgt h THR 349 Cb 0.20 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1cgt h THR 349 CO 0.02 0.24 -0.30 -0.07 0.37 0.00 0.00 175.52 175.79 1cgt h LEU 350 N 1.26 0.00 -1.02 2.58 3.38 -1.07 -2.93 115.31 117.51 1cgt h LEU 350 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1cgt h LEU 350 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1cgt h LEU 350 CO -0.07 0.30 -0.41 0.35 0.09 0.00 0.00 178.44 178.69 1cgt n THR 351 N -3.58 0.00 -2.49 0.22 -2.24 -1.05 -4.88 114.28 100.25 1cgt n THR 351 Ca -0.01 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 1cgt n THR 351 Cb 0.43 1.25 0.04 0.00 -2.10 0.00 0.00 70.33 69.96 1cgt n THR 351 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1cgt s SER 352 N -2.29 5.27 0.79 3.42 0.01 -0.63 -4.88 113.70 115.39 1cgt s SER 352 Ca 0.18 0.34 -0.12 0.00 1.31 0.00 0.00 55.95 57.66 1cgt s SER 352 Cb 0.17 -1.22 0.07 0.00 0.21 0.00 0.00 66.02 65.25 1cgt s SER 352 CO 0.51 -1.21 1.12 0.00 0.41 0.00 0.00 173.24 174.08 1cgt s ARG 353 N -4.94 1.96 0.00 12.44 3.03 -1.26 -4.87 118.95 125.30 1cgt s ARG 353 Ca 0.56 1.39 0.00 0.00 2.03 0.00 0.00 55.73 59.71 1cgt s ARG 353 Cb -0.10 -1.85 0.00 0.00 -1.03 0.00 0.00 34.95 31.97 1cgt s ARG 353 CO 0.42 -1.90 0.00 0.41 -1.13 0.00 0.00 175.30 173.10 1cgt n GLY 354 N -0.50 -1.00 3.14 3.88 0.00 -1.26 -4.87 105.19 104.59 1cgt n GLY 354 Ca 0.11 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 1cgt n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgt s VAL 355 N 0.00 2.66 0.19 1.61 1.01 0.47 -4.80 120.40 121.55 1cgt s VAL 355 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 1cgt s VAL 355 Cb 0.00 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 1cgt s VAL 355 CO 0.00 -0.00 1.07 -2.16 0.00 0.00 0.00 175.10 174.00 1cgt s PRO 356 N 1.22 4.64 -0.02 2.72 0.04 -1.26 -0.65 135.00 141.68 1cgt s PRO 356 Ca -0.05 1.67 0.08 0.00 0.04 0.00 0.00 61.00 62.74 1cgt s PRO 356 Cb -0.19 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 1cgt s PRO 356 CO -0.03 0.15 -0.25 0.00 0.04 0.00 0.00 177.00 176.90 1cgt s ALA 357 N -0.41 2.12 -0.13 8.56 0.00 0.21 -1.10 121.76 131.01 1cgt s ALA 357 Ca 0.48 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1cgt s ALA 357 Cb -0.29 -0.55 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 1cgt s ALA 357 CO 0.35 0.51 -0.18 0.42 0.00 0.00 0.00 175.76 176.86 1cgt s ILE 358 N -0.55 2.56 0.07 0.00 1.01 0.73 -4.42 121.20 120.61 1cgt s ILE 358 Ca 0.08 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 1cgt s ILE 358 Cb -0.10 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 1cgt s ILE 358 CO -0.00 0.53 1.09 -0.47 0.00 0.00 0.00 174.94 176.09 1cgt s TYR 359 N 0.54 3.57 0.14 3.97 5.04 -1.26 -0.39 117.35 128.95 1cgt s TYR 359 Ca -0.11 1.52 -0.34 0.00 -2.44 0.00 0.00 57.07 55.70 1cgt s TYR 359 Cb -0.16 -3.27 -0.16 0.00 0.35 0.00 0.00 41.96 38.72 1cgt s TYR 359 CO 0.04 -0.64 1.21 2.48 -1.34 0.00 0.00 175.55 177.31 1cgt n TYR 360 N 3.54 1.32 -0.05 4.97 4.11 0.46 -1.68 117.16 129.83 1cgt n TYR 360 Ca 0.06 0.68 0.00 0.00 -0.00 0.00 0.00 57.90 58.64 1cgt n TYR 360 Cb 0.48 -2.29 0.00 0.00 -0.00 0.00 0.00 39.34 37.53 1cgt n TYR 360 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1cgt n GLY 361 N 2.17 0.80 0.35 -7.48 0.00 -1.26 -4.92 105.19 94.85 1cgt n GLY 361 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1cgt n GLY 361 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cgt h THR 362 N 0.00 1.09 0.00 2.61 2.02 -1.68 -0.96 112.91 116.00 1cgt h THR 362 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1cgt h THR 362 Cb 0.00 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1cgt h THR 362 CO 0.00 0.21 0.00 -1.84 0.37 0.00 0.00 175.52 174.26 1cgt n GLU 363 N -4.53 0.05 -0.15 6.66 0.00 -1.26 -1.13 120.64 120.28 1cgt n GLU 363 Ca 0.14 0.25 0.07 0.00 0.00 0.00 0.00 57.16 57.61 1cgt n GLU 363 Cb 0.16 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.24 1cgt n GLU 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1cgt n GLN 364 N -1.44 2.23 -3.09 3.44 1.13 -0.42 -4.17 117.38 115.06 1cgt n GLN 364 Ca 0.04 -1.89 -0.23 0.00 -1.94 0.00 0.00 57.00 52.98 1cgt n GLN 364 Cb 0.14 -1.30 0.03 0.00 0.11 0.00 0.00 30.24 29.22 1cgt n GLN 364 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1cgt n TYR 365 N 0.72 -2.02 -1.67 1.08 4.01 -0.29 -4.93 117.16 114.07 1cgt n TYR 365 Ca 0.12 0.55 -0.45 0.00 -0.16 0.00 0.00 57.90 57.96 1cgt n TYR 365 Cb 0.42 -4.41 -0.03 0.00 -0.31 0.00 0.00 39.34 35.01 1cgt n TYR 365 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1cgt n LEU 366 N -4.08 3.04 -4.94 7.72 4.77 -0.86 -4.88 117.00 117.78 1cgt n LEU 366 Ca -0.10 1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 56.78 1cgt n LEU 366 Cb 0.61 -1.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.29 1cgt n LEU 366 CO 0.49 -0.46 0.12 0.42 -1.33 0.00 0.00 177.39 176.63 1cgt s THR 367 N 0.20 2.05 0.00 -5.08 -4.23 -1.26 -4.44 115.64 102.88 1cgt s THR 367 Ca 0.71 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1cgt s THR 367 Cb -0.67 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1cgt s THR 367 CO 0.47 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 1cgt n GLY 368 N -1.85 3.00 3.54 3.99 0.00 -1.26 -4.77 105.19 107.84 1cgt n GLY 368 Ca 0.05 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1cgt n GLY 368 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cgt s ASN 369 N 0.00 4.93 0.04 1.61 0.02 -1.26 -1.73 114.94 118.55 1cgt s ASN 369 Ca 0.00 -0.06 0.00 0.00 -1.02 0.00 0.00 52.86 51.78 1cgt s ASN 369 Cb 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 41.25 39.55 1cgt s ASN 369 CO 0.00 0.21 0.00 0.61 0.02 0.00 0.00 177.10 177.94 1cgt n GLY 370 N 3.26 -1.84 3.70 0.66 0.00 -1.26 -4.27 105.19 105.44 1cgt n GLY 370 Ca -0.17 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 1cgt n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cgt s ASP 371 N -4.53 6.65 0.00 1.61 2.15 -1.26 0.00 116.67 121.29 1cgt s ASP 371 Ca 0.00 0.77 0.21 0.00 0.43 0.00 0.00 52.55 53.96 1cgt s ASP 371 Cb 0.00 -2.29 0.45 0.00 -0.30 0.00 0.00 42.92 40.78 1cgt s ASP 371 CO 0.00 -0.06 1.38 -0.81 -0.17 0.00 0.00 175.17 175.52 1cgt n PRO 372 N 4.02 2.50 0.29 4.34 -0.04 -1.26 -4.94 135.00 139.91 1cgt n PRO 372 Ca -0.06 -2.30 0.16 0.00 -0.04 0.00 0.00 63.50 61.26 1cgt n PRO 372 Cb 0.51 -1.48 0.92 0.00 -0.04 0.00 0.00 33.50 33.42 1cgt n PRO 372 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1cgt h ASP 373 N 3.95 0.00 0.00 3.54 3.32 -1.61 -0.22 116.42 125.40 1cgt h ASP 373 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cgt h ASP 373 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1cgt h ASP 373 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 1cgt n ASN 374 N -3.81 0.00 -2.40 6.45 0.23 0.10 -3.53 115.26 112.30 1cgt n ASN 374 Ca -0.03 -1.74 -0.18 0.00 -0.53 0.00 0.00 54.58 52.10 1cgt n ASN 374 Cb 0.11 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.83 1cgt n ASN 374 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1cgt n ARG 375 N -0.53 2.85 -1.55 -3.83 3.00 -0.09 -4.89 116.66 111.61 1cgt n ARG 375 Ca 0.02 -4.00 -0.31 0.00 -0.01 0.00 0.00 57.85 53.54 1cgt n ARG 375 Cb 0.01 -1.99 0.06 0.00 0.00 0.00 0.00 32.46 30.53 1cgt n ARG 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cgt s ALA 376 N -3.56 2.55 0.34 7.54 0.00 -1.23 -4.93 121.76 122.47 1cgt s ALA 376 Ca 0.42 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 1cgt s ALA 376 Cb 0.40 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 20.17 1cgt s ALA 376 CO -0.04 -1.34 1.37 1.17 0.00 0.00 0.00 175.76 176.92 1cgt n LYS 377 N -3.06 2.30 -1.61 0.00 4.81 -1.26 -4.88 118.16 114.46 1cgt n LYS 377 Ca 0.08 0.81 -0.47 0.00 -0.87 0.00 0.00 58.31 57.87 1cgt n LYS 377 Cb 0.53 -2.45 -0.05 0.00 0.02 0.00 0.00 35.03 33.09 1cgt n LYS 377 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1cgt n MET 378 N 0.71 2.00 0.20 1.64 0.00 0.64 -4.87 117.12 117.45 1cgt n MET 378 Ca 0.04 0.67 0.11 0.00 -0.00 0.00 0.00 57.70 58.52 1cgt n MET 378 Cb 0.36 -2.81 0.14 0.00 0.00 0.00 0.00 33.22 30.92 1cgt n MET 378 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1cgt h PRO 379 N 11.47 0.00 -2.48 2.12 0.13 -1.91 -3.48 132.00 137.85 1cgt h PRO 379 Ca -0.43 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.78 1cgt h PRO 379 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 1cgt h PRO 379 CO 0.96 0.05 0.42 0.45 -0.23 0.00 0.00 178.00 179.65 1cgt s SER 380 N -6.16 -0.40 -0.20 1.44 0.15 -1.26 -5.02 113.70 102.26 1cgt s SER 380 Ca 0.06 -0.05 0.13 0.00 0.70 0.00 0.00 55.95 56.79 1cgt s SER 380 Cb 0.06 0.45 0.43 0.00 -1.71 0.00 0.00 66.02 65.26 1cgt s SER 380 CO 0.69 -0.75 1.20 0.49 1.20 0.00 0.00 173.24 176.07 1cgt n PHE 381 N -0.30 0.60 -1.85 3.44 3.72 -1.26 -5.00 117.46 116.81 1cgt n PHE 381 Ca -0.10 -1.52 -0.41 0.00 -0.05 0.00 0.00 57.45 55.36 1cgt n PHE 381 Cb 0.62 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1cgt n PHE 381 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1cgt s SER 382 N -3.15 6.44 -0.17 4.37 0.15 -1.26 -4.92 113.70 115.17 1cgt s SER 382 Ca 0.39 2.92 0.16 0.00 0.70 0.00 0.00 55.95 60.11 1cgt s SER 382 Cb 0.38 -2.64 0.59 0.00 -1.71 0.00 0.00 66.02 62.64 1cgt s SER 382 CO -0.06 -0.84 1.50 0.29 1.20 0.00 0.00 173.24 175.33 1cgt n LYS 383 N 1.61 3.45 -0.00 5.44 5.02 -1.26 -4.58 118.16 127.84 1cgt n LYS 383 Ca 0.05 -2.84 0.09 0.00 -2.02 0.00 0.00 58.31 53.60 1cgt n LYS 383 Cb 0.39 -1.88 -0.11 0.00 -0.02 0.00 0.00 35.03 33.40 1cgt n LYS 383 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1cgt n SER 384 N 0.03 0.93 -4.75 4.39 7.64 -1.26 -4.72 113.62 115.87 1cgt n SER 384 Ca 0.22 -0.95 -0.31 0.00 1.01 0.00 0.00 58.87 58.84 1cgt n SER 384 Cb 0.91 1.02 0.11 0.00 -1.01 0.00 0.00 64.21 65.24 1cgt n SER 384 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1cgt s THR 385 N -2.89 3.08 0.17 0.44 -4.23 -1.26 -4.88 115.64 106.06 1cgt s THR 385 Ca 0.07 0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 60.81 1cgt s THR 385 Cb 0.15 -2.75 0.07 0.00 1.34 0.00 0.00 72.50 71.31 1cgt s THR 385 CO 0.82 -0.46 1.73 0.74 -0.54 0.00 0.00 174.62 176.91 1cgt h THR 386 N -1.28 1.22 -0.79 3.99 2.02 -1.94 -1.89 112.91 114.24 1cgt h THR 386 Ca -0.44 -0.67 0.14 0.00 0.77 0.00 0.00 66.41 66.21 1cgt h THR 386 Cb 1.24 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 68.16 1cgt h THR 386 CO 0.50 0.26 0.37 0.00 0.37 0.00 0.00 175.52 177.01 1cgt h ALA 387 N 1.08 1.14 -0.34 6.16 0.00 -1.92 0.11 119.26 125.48 1cgt h ALA 387 Ca 0.19 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1cgt h ALA 387 Cb 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1cgt h ALA 387 CO -0.02 -0.13 0.16 0.35 0.00 0.00 0.00 179.25 179.61 1cgt h PHE 388 N 0.54 0.49 -0.70 0.00 3.04 -1.63 -2.08 116.94 116.61 1cgt h PHE 388 Ca 0.42 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.32 1cgt h PHE 388 Cb 0.59 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 1cgt h PHE 388 CO -0.13 0.43 0.34 -0.97 -2.02 0.00 0.00 178.31 175.96 1cgt h ASN 389 N 0.41 0.90 -0.25 0.41 -0.73 -0.45 -0.64 115.58 115.24 1cgt h ASN 389 Ca 0.12 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1cgt h ASN 389 Cb 0.12 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 1cgt h ASN 389 CO -0.01 0.78 0.16 0.58 -0.37 0.00 0.00 177.43 178.57 1cgt h VAL 390 N 0.97 1.06 -0.55 2.57 2.07 -0.50 -1.71 116.25 120.16 1cgt h VAL 390 Ca 0.24 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 1cgt h VAL 390 Cb 0.11 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1cgt h VAL 390 CO -0.03 0.06 0.02 0.40 0.02 0.00 0.00 177.57 178.04 1cgt h ILE 391 N 0.33 1.26 0.00 4.57 2.04 -1.19 -1.40 117.51 123.12 1cgt h ILE 391 Ca 0.09 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 64.80 1cgt h ILE 391 Cb -0.04 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1cgt h ILE 391 CO -0.02 0.39 -0.32 0.77 0.00 0.00 0.00 178.15 178.97 1cgt h SER 392 N 0.84 0.00 0.66 1.72 4.64 -0.82 -0.45 113.55 120.14 1cgt h SER 392 Ca 0.16 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.21 1cgt h SER 392 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1cgt h SER 392 CO 0.02 0.32 -1.21 0.11 -0.87 0.00 0.00 176.83 175.20 1cgt h LYS 393 N 0.00 0.25 0.05 4.77 1.57 -1.07 -3.40 116.57 118.74 1cgt h LYS 393 Ca -0.00 -0.42 -0.34 0.00 -1.87 0.00 0.00 60.65 58.01 1cgt h LYS 393 Cb 0.73 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1cgt h LYS 393 CO 0.04 1.20 -2.00 1.28 -0.57 0.00 0.00 179.45 179.40 1cgt n LEU 394 N -3.52 1.72 -0.19 2.94 4.77 -0.55 -4.39 117.00 117.77 1cgt n LEU 394 Ca -0.08 0.22 -0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1cgt n LEU 394 Cb 1.01 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 41.77 1cgt n LEU 394 CO 0.53 0.65 0.97 0.00 -1.33 0.00 0.00 177.39 178.21 1cgt h ALA 395 N 0.51 0.73 -0.54 -1.18 0.00 -1.29 -1.28 119.26 116.22 1cgt h ALA 395 Ca -0.41 0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.75 1cgt h ALA 395 Cb 2.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1cgt h ALA 395 CO 0.06 -0.22 0.40 -1.35 0.00 0.00 0.00 179.25 178.13 1cgt h PRO 396 N 0.36 0.00 0.00 0.00 0.11 -1.77 -1.47 132.00 129.23 1cgt h PRO 396 Ca 0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.40 1cgt h PRO 396 Cb 0.38 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1cgt h PRO 396 CO -0.32 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.39 1cgt h LEU 397 N 0.00 0.00 -1.29 2.35 4.07 -1.43 -0.97 115.31 118.04 1cgt h LEU 397 Ca 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.17 1cgt h LEU 397 Cb 1.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1cgt h LEU 397 CO -0.00 0.01 -0.24 0.03 -1.08 0.00 0.00 178.44 177.16 1cgt h ARG 398 N 0.00 0.00 0.08 1.13 3.08 -1.37 -0.42 114.38 116.88 1cgt h ARG 398 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1cgt h ARG 398 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1cgt h ARG 398 CO 0.00 0.24 -1.78 0.87 -1.07 0.00 0.00 179.97 178.23 1cgt h LYS 399 N 0.00 0.18 0.00 0.04 1.79 -1.35 -3.40 116.57 113.82 1cgt h LYS 399 Ca -0.00 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1cgt h LYS 399 Cb 0.67 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1cgt h LYS 399 CO 0.03 0.96 -1.19 -1.13 -1.08 0.00 0.00 179.45 177.04 1cgt n SER 400 N -3.33 0.60 -3.92 0.86 3.41 -0.48 -4.79 113.62 105.97 1cgt n SER 400 Ca -0.23 0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.17 1cgt n SER 400 Cb 1.05 0.85 -0.16 0.00 -0.26 0.00 0.00 64.21 65.69 1cgt n SER 400 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1cgt s ASN 401 N -4.70 3.90 0.28 4.04 3.04 -0.19 -5.00 114.94 116.32 1cgt s ASN 401 Ca -0.00 -1.28 0.22 0.00 0.04 0.00 0.00 52.86 51.83 1cgt s ASN 401 Cb 0.12 -1.16 1.06 0.00 -1.54 0.00 0.00 41.25 39.73 1cgt s ASN 401 CO 0.81 -0.27 1.68 -0.81 -3.04 0.00 0.00 177.10 175.47 1cgt n PRO 402 N 4.67 0.17 0.01 0.43 -0.04 -1.26 -1.65 135.00 137.32 1cgt n PRO 402 Ca -0.10 0.53 -0.04 0.00 -0.04 0.00 0.00 63.50 63.85 1cgt n PRO 402 Cb 0.44 -1.91 0.19 0.00 -0.04 0.00 0.00 33.50 32.18 1cgt n PRO 402 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cgt h ALA 403 N 2.14 1.08 -0.00 0.55 0.00 -1.83 -0.48 119.26 120.72 1cgt h ALA 403 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1cgt h ALA 403 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cgt h ALA 403 CO 0.00 0.57 -0.13 0.82 0.00 0.00 0.00 179.25 180.51 1cgt h ILE 404 N 0.42 1.58 -0.24 0.00 1.08 -1.62 0.85 117.51 119.58 1cgt h ILE 404 Ca 0.06 -1.88 -0.12 0.00 -0.39 0.00 0.00 64.86 62.52 1cgt h ILE 404 Cb 0.69 2.80 -0.01 0.00 -3.07 0.00 0.00 36.82 37.23 1cgt h ILE 404 CO 0.05 0.50 -0.36 0.00 -0.69 0.00 0.00 178.15 177.66 1cgt h ALA 405 N 0.24 0.92 0.00 1.87 0.00 -1.51 -3.39 119.26 117.40 1cgt h ALA 405 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1cgt h ALA 405 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1cgt h ALA 405 CO 0.03 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.56 1cgt n TYR 406 N -4.05 0.00 -1.39 0.00 4.01 -0.19 -4.77 117.16 110.76 1cgt n TYR 406 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 1cgt n TYR 406 Cb 0.48 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.66 1cgt n TYR 406 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cgt s GLY 407 N -0.46 1.58 0.98 2.72 0.00 0.29 -4.95 107.32 107.48 1cgt s GLY 407 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 44.72 44.14 1cgt s GLY 407 CO 0.00 0.14 1.26 -1.35 0.00 0.00 0.00 173.10 173.15 1cgt s SER 408 N -3.79 2.99 -0.04 1.64 1.04 -0.80 -4.76 113.70 109.97 1cgt s SER 408 Ca 0.64 0.44 0.02 0.00 0.48 0.00 0.00 55.95 57.54 1cgt s SER 408 Cb -0.16 -0.62 0.01 0.00 0.10 0.00 0.00 66.02 65.35 1cgt s SER 408 CO 0.55 -2.83 -0.10 -0.89 0.98 0.00 0.00 173.24 170.96 1cgt s THR 409 N -3.67 0.89 -0.01 2.02 2.01 -1.26 -3.14 115.64 112.48 1cgt s THR 409 Ca 0.71 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1cgt s THR 409 Cb -0.06 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1cgt s THR 409 CO 0.53 0.29 -0.02 -1.58 -0.69 0.00 0.00 174.62 173.14 1cgt s GLN 410 N 0.45 0.32 0.11 4.92 0.74 0.03 -4.96 119.66 121.27 1cgt s GLN 410 Ca -0.08 -0.05 -0.31 0.00 0.05 0.00 0.00 55.36 54.97 1cgt s GLN 410 Cb -0.12 -0.38 -0.08 0.00 1.10 0.00 0.00 33.01 33.53 1cgt s GLN 410 CO 0.01 -0.01 1.45 -1.14 -0.55 0.00 0.00 175.29 175.05 1cgt s GLN 411 N 0.38 4.28 -0.03 1.67 -0.44 -1.26 -0.33 119.66 123.93 1cgt s GLN 411 Ca -0.04 2.14 0.06 0.00 -2.50 0.00 0.00 55.36 55.02 1cgt s GLN 411 Cb -0.07 -3.29 -0.08 0.00 -1.64 0.00 0.00 33.01 27.93 1cgt s GLN 411 CO -0.01 -0.51 0.09 0.54 0.50 0.00 0.00 175.29 175.90 1cgt n ARG 412 N 4.22 1.33 -3.63 1.67 5.12 0.01 -4.91 116.66 120.47 1cgt n ARG 412 Ca 0.12 -0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.89 1cgt n ARG 412 Cb 0.41 -1.14 -0.07 0.00 -1.16 0.00 0.00 32.46 30.50 1cgt n ARG 412 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1cgt s TRP 413 N -2.30 -0.79 -0.16 -1.55 -0.00 -1.01 -4.68 118.94 108.45 1cgt s TRP 413 Ca -0.02 1.87 -0.24 0.00 -0.00 0.00 0.00 56.10 57.70 1cgt s TRP 413 Cb 0.03 0.33 0.06 0.00 -0.00 0.00 0.00 33.47 33.89 1cgt s TRP 413 CO 0.24 -0.38 0.62 -1.50 -0.00 0.00 0.00 176.95 175.93 1cgt s ILE 414 N 0.54 0.01 0.00 5.86 2.07 -1.26 -0.77 121.20 127.65 1cgt s ILE 414 Ca -0.01 -0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1cgt s ILE 414 Cb -0.05 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1cgt s ILE 414 CO -0.03 -0.02 0.00 -0.46 -1.91 0.00 0.00 174.94 172.52 1cgt n ASN 415 N 1.99 0.00 -0.30 4.50 0.23 -0.60 -4.96 115.26 116.12 1cgt n ASN 415 Ca -0.16 -0.40 0.01 0.00 -0.53 0.00 0.00 54.58 53.50 1cgt n ASN 415 Cb 0.56 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.47 1cgt n ASN 415 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1cgt h ASN 416 N 0.00 0.96 -0.00 0.53 -1.07 -1.98 -3.20 115.58 110.82 1cgt h ASN 416 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 1cgt h ASN 416 Cb 0.00 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.03 1cgt h ASN 416 CO 0.00 0.66 -0.11 0.47 0.07 0.00 0.00 177.43 178.52 1cgt n ASP 417 N -4.44 0.73 -4.37 6.14 8.00 -1.26 -1.66 116.55 119.69 1cgt n ASP 417 Ca 0.12 -0.87 -0.32 0.00 0.71 0.00 0.00 54.79 54.43 1cgt n ASP 417 Cb 0.10 0.56 -0.15 0.00 -0.02 0.00 0.00 41.12 41.61 1cgt n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cgt s VAL 418 N -0.97 2.49 -0.04 2.53 1.01 -1.21 -1.73 120.40 122.48 1cgt s VAL 418 Ca 0.03 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1cgt s VAL 418 Cb 0.04 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1cgt s VAL 418 CO 0.13 0.58 0.00 -0.47 0.00 0.00 0.00 175.10 175.34 1cgt s TYR 419 N -0.56 0.41 -0.13 5.22 5.04 -0.50 -1.55 117.35 125.29 1cgt s TYR 419 Ca 0.08 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.70 1cgt s TYR 419 Cb -0.11 -0.55 0.01 0.00 0.35 0.00 0.00 41.96 41.67 1cgt s TYR 419 CO 0.00 -0.20 -0.18 0.08 -1.34 0.00 0.00 175.55 173.92 1cgt s VAL 420 N 1.42 1.72 0.16 3.14 1.01 0.05 -0.60 120.40 127.29 1cgt s VAL 420 Ca -0.04 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1cgt s VAL 420 Cb -0.13 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1cgt s VAL 420 CO -0.03 0.48 -0.01 -0.72 0.00 0.00 0.00 175.10 174.83 1cgt s TYR 421 N 1.00 1.13 -0.02 5.22 1.13 -0.62 -0.81 117.35 124.39 1cgt s TYR 421 Ca -0.05 -1.00 0.04 0.00 -1.41 0.00 0.00 57.07 54.64 1cgt s TYR 421 Cb -0.15 -0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 40.06 1cgt s TYR 421 CO -0.03 -0.21 -0.12 -2.00 -2.51 0.00 0.00 175.55 170.68 1cgt s GLU 422 N -3.90 1.09 -0.09 -3.49 2.12 0.55 -1.29 118.70 113.69 1cgt s GLU 422 Ca 0.21 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 55.11 1cgt s GLU 422 Cb 0.06 -1.03 -0.03 0.00 0.26 0.00 0.00 34.13 33.39 1cgt s GLU 422 CO 0.02 0.23 -0.06 1.03 -0.54 0.00 0.00 175.26 175.94 1cgt s ARG 423 N -0.14 3.01 -0.11 4.30 1.81 -0.17 -0.79 118.95 126.86 1cgt s ARG 423 Ca 0.02 -0.54 -0.09 0.00 -1.72 0.00 0.00 55.73 53.40 1cgt s ARG 423 Cb -0.06 -2.68 0.03 0.00 -0.45 0.00 0.00 34.95 31.79 1cgt s ARG 423 CO 0.00 0.55 0.29 0.21 -0.68 0.00 0.00 175.30 175.66 1cgt s LYS 424 N -0.48 0.32 -0.19 3.54 2.20 -1.19 -1.43 119.74 122.51 1cgt s LYS 424 Ca 0.07 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 56.09 1cgt s LYS 424 Cb -0.12 0.11 0.10 0.00 -1.51 0.00 0.00 37.83 36.40 1cgt s LYS 424 CO 0.02 -0.07 0.30 0.12 -0.36 0.00 0.00 175.35 175.37 1cgt s PHE 425 N 0.41 -0.54 0.00 4.03 5.36 -0.35 -1.90 117.98 124.99 1cgt s PHE 425 Ca -0.02 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 1cgt s PHE 425 Cb -0.04 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 1cgt s PHE 425 CO -0.02 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.61 1cgt n GLY 426 N 5.35 4.06 0.14 13.12 0.00 -1.26 -1.09 105.19 125.50 1cgt n GLY 426 Ca -0.05 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1cgt n GLY 426 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cgt n LYS 427 N 13.94 0.35 -2.63 1.61 5.02 -1.26 -4.90 118.16 130.30 1cgt n LYS 427 Ca 0.00 -0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 55.62 1cgt n LYS 427 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 1cgt n LYS 427 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1cgt s SER 428 N -2.83 7.41 -0.00 4.39 0.01 -0.25 -4.72 113.70 117.70 1cgt s SER 428 Ca 0.13 2.08 -0.01 0.00 1.31 0.00 0.00 55.95 59.45 1cgt s SER 428 Cb 0.17 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 1cgt s SER 428 CO 0.74 -0.02 0.02 -0.69 0.41 0.00 0.00 173.24 173.69 1cgt s VAL 429 N -1.24 0.02 -0.01 3.43 1.01 0.12 -1.21 120.40 122.51 1cgt s VAL 429 Ca 0.44 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1cgt s VAL 429 Cb -0.28 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1cgt s VAL 429 CO 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 175.10 175.31 1cgt s ALA 430 N -0.32 0.36 -0.05 5.51 0.00 -0.51 -0.97 121.76 125.77 1cgt s ALA 430 Ca -0.04 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.90 1cgt s ALA 430 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1cgt s ALA 430 CO -0.00 0.03 -0.19 0.08 0.00 0.00 0.00 175.76 175.69 1cgt s VAL 431 N 0.29 1.57 -0.06 0.00 1.01 0.18 -1.00 120.40 122.39 1cgt s VAL 431 Ca -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1cgt s VAL 431 Cb -0.06 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1cgt s VAL 431 CO -0.01 0.45 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 1cgt s VAL 432 N 0.08 1.44 -0.09 2.92 1.01 -0.41 -0.77 120.40 124.59 1cgt s VAL 432 Ca -0.06 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1cgt s VAL 432 Cb -0.13 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1cgt s VAL 432 CO 0.03 0.42 -0.20 0.00 0.00 0.00 0.00 175.10 175.35 1cgt s ALA 433 N 0.35 2.34 -0.05 5.51 0.00 -0.51 -1.59 121.76 127.81 1cgt s ALA 433 Ca -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1cgt s ALA 433 Cb -0.15 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.11 1cgt s ALA 433 CO 0.04 0.36 -0.10 0.08 0.00 0.00 0.00 175.76 176.14 1cgt s VAL 434 N 0.03 0.91 -0.34 0.00 1.01 0.23 -2.02 120.40 120.22 1cgt s VAL 434 Ca -0.08 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1cgt s VAL 434 Cb -0.15 -0.85 0.09 0.00 0.00 0.00 0.00 36.38 35.47 1cgt s VAL 434 CO 0.05 0.30 0.05 0.21 0.00 0.00 0.00 175.10 175.72 1cgt s ASN 435 N 0.67 4.85 0.00 3.32 2.47 0.10 -1.41 114.94 124.93 1cgt s ASN 435 Ca -0.12 -1.89 0.26 0.00 0.42 0.00 0.00 52.86 51.53 1cgt s ASN 435 Cb -0.15 -1.67 1.18 0.00 -1.45 0.00 0.00 41.25 39.16 1cgt s ASN 435 CO 0.02 -0.37 1.85 -2.11 -3.72 0.00 0.00 177.10 172.77 1cgt n ARG 436 N 4.41 0.13 -2.40 0.43 1.85 -0.71 -3.07 116.66 117.30 1cgt n ARG 436 Ca -0.03 0.05 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 1cgt n ARG 436 Cb 0.42 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.30 1cgt n ARG 436 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1cgt s ASN 437 N -2.85 7.00 0.03 2.89 3.84 -1.26 -4.75 114.94 119.83 1cgt s ASN 437 Ca 0.17 1.90 0.26 0.00 0.21 0.00 0.00 52.86 55.40 1cgt s ASN 437 Cb 0.17 -2.56 0.77 0.00 -0.55 0.00 0.00 41.25 39.09 1cgt s ASN 437 CO 0.45 -0.61 1.61 0.18 -2.79 0.00 0.00 177.10 175.94 1cgt n LEU 438 N 5.20 0.36 -0.00 3.21 4.77 -1.26 -0.56 117.00 128.72 1cgt n LEU 438 Ca 0.11 0.25 0.01 0.00 -0.03 0.00 0.00 56.01 56.35 1cgt n LEU 438 Cb 0.46 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1cgt n LEU 438 CO 0.56 0.04 -0.53 -1.54 -1.33 0.00 0.00 177.39 174.59 1cgt n SER 439 N -1.62 4.56 -4.11 -1.43 3.41 -1.26 -4.55 113.62 108.61 1cgt n SER 439 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.43 1cgt n SER 439 Cb 0.36 0.95 -0.16 0.00 -0.26 0.00 0.00 64.21 65.10 1cgt n SER 439 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1cgt s THR 440 N -2.11 1.23 0.78 6.66 -1.32 -1.26 -4.87 115.64 114.75 1cgt s THR 440 Ca -0.01 -0.63 -0.12 0.00 -1.21 0.00 0.00 61.69 59.72 1cgt s THR 440 Cb 0.01 -1.05 0.06 0.00 -1.51 0.00 0.00 72.50 70.01 1cgt s THR 440 CO 0.08 0.36 1.12 -0.94 -2.21 0.00 0.00 174.62 173.02 1cgt s SER 441 N -0.13 4.74 -0.07 8.08 1.04 -1.26 -3.99 113.70 122.11 1cgt s SER 441 Ca 0.01 1.11 0.03 0.00 0.48 0.00 0.00 55.95 57.57 1cgt s SER 441 Cb -0.08 -1.81 0.01 0.00 0.10 0.00 0.00 66.02 64.24 1cgt s SER 441 CO 0.01 -1.79 -0.14 0.00 0.98 0.00 0.00 173.24 172.29 1cgt s ALA 442 N -3.32 1.43 -0.16 5.32 0.00 0.51 -4.90 121.76 120.63 1cgt s ALA 442 Ca 0.60 -0.52 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 1cgt s ALA 442 Cb -0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1cgt s ALA 442 CO 0.52 0.15 0.80 -1.12 0.00 0.00 0.00 175.76 176.11 1cgt s SER 443 N 0.59 6.93 -0.25 0.00 0.01 -1.26 -0.61 113.70 119.10 1cgt s SER 443 Ca -0.15 1.14 -0.06 0.00 1.31 0.00 0.00 55.95 58.18 1cgt s SER 443 Cb -0.16 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1cgt s SER 443 CO 0.05 -0.36 0.04 -0.63 0.41 0.00 0.00 173.24 172.75 1cgt s ILE 444 N 2.02 4.06 0.08 1.44 -1.09 0.65 -4.98 121.20 123.38 1cgt s ILE 444 Ca 0.37 -0.30 0.06 0.00 -2.23 0.00 0.00 60.65 58.56 1cgt s ILE 444 Cb -0.17 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 1cgt s ILE 444 CO 0.13 0.33 -0.17 0.42 -1.23 0.00 0.00 174.94 174.42 1cgt s THR 445 N 1.57 1.37 -0.96 2.92 -4.23 -1.26 -2.28 115.64 112.77 1cgt s THR 445 Ca 0.06 -1.35 -0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1cgt s THR 445 Cb -0.15 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.42 1cgt s THR 445 CO 0.02 -0.11 0.06 0.61 -0.54 0.00 0.00 174.62 174.66 1cgt n GLY 446 N 1.32 -0.08 3.71 3.99 0.00 -1.26 -5.01 105.19 107.86 1cgt n GLY 446 Ca -0.20 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1cgt n GLY 446 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cgt s LEU 447 N -3.41 4.40 0.06 0.99 2.96 -1.26 -4.98 118.68 117.43 1cgt s LEU 447 Ca 0.03 1.75 0.09 0.00 -0.22 0.00 0.00 54.13 55.78 1cgt s LEU 447 Cb -0.01 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1cgt s LEU 447 CO 0.04 -0.25 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.13 1cgt s SER 448 N 0.80 3.35 0.23 3.68 0.01 -1.26 -0.91 113.70 119.60 1cgt s SER 448 Ca 0.52 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 57.25 1cgt s SER 448 Cb -0.23 -0.36 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 1cgt s SER 448 CO 0.29 0.25 0.23 0.35 0.41 0.00 0.00 173.24 174.76 1cgt n THR 449 N 1.60 0.00 -0.49 1.44 -2.24 0.42 -4.90 114.28 110.10 1cgt n THR 449 Ca -0.17 -1.58 0.10 0.00 -2.27 0.00 0.00 64.05 60.13 1cgt n THR 449 Cb 0.52 0.82 0.33 0.00 -2.10 0.00 0.00 70.33 69.90 1cgt n THR 449 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1cgt n SER 450 N -2.02 4.27 -4.72 3.42 7.64 -1.26 -4.38 113.62 116.56 1cgt n SER 450 Ca 0.04 -2.24 -0.42 0.00 1.01 0.00 0.00 58.87 57.27 1cgt n SER 450 Cb 0.41 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1cgt n SER 450 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1cgt s LEU 451 N -1.44 4.39 0.92 -3.43 1.43 -1.26 -4.90 118.68 114.39 1cgt s LEU 451 Ca 0.48 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.63 1cgt s LEU 451 Cb 0.28 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.99 1cgt s LEU 451 CO 0.27 -0.51 0.72 -0.81 0.23 0.00 0.00 176.35 176.26 1cgt n PRO 452 N 3.57 -0.31 -1.64 1.29 -0.04 -1.26 -2.29 135.00 134.32 1cgt n PRO 452 Ca 0.09 -0.04 -0.47 0.00 -0.04 0.00 0.00 63.50 63.04 1cgt n PRO 452 Cb 0.45 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 1cgt n PRO 452 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1cgt n THR 453 N -3.79 0.55 0.00 0.52 -1.04 -1.26 -4.63 114.28 104.63 1cgt n THR 453 Ca 0.09 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1cgt n THR 453 Cb 0.53 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 1cgt n THR 453 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cgt n GLY 454 N 2.51 -0.51 3.38 3.41 0.00 -0.54 -4.93 105.19 108.51 1cgt n GLY 454 Ca 0.15 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1cgt n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cgt s SER 455 N 0.00 3.34 -0.05 1.61 1.04 -1.26 -0.36 113.70 118.01 1cgt s SER 455 Ca 0.00 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 55.87 1cgt s SER 455 Cb 0.00 -0.34 -0.00 0.00 0.10 0.00 0.00 66.02 65.78 1cgt s SER 455 CO 0.00 0.24 -0.17 -0.31 0.98 0.00 0.00 173.24 173.98 1cgt s TYR 456 N -0.90 1.74 0.13 5.02 1.51 0.14 -4.97 117.35 120.03 1cgt s TYR 456 Ca 0.13 -0.55 -0.16 0.00 -1.01 0.00 0.00 57.07 55.49 1cgt s TYR 456 Cb -0.10 -1.19 -0.07 0.00 -0.11 0.00 0.00 41.96 40.49 1cgt s TYR 456 CO 0.04 -0.21 0.56 0.99 -1.11 0.00 0.00 175.55 175.82 1cgt s THR 457 N 0.17 4.82 -0.02 -0.71 2.01 -1.26 -0.52 115.64 120.13 1cgt s THR 457 Ca -0.07 0.93 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1cgt s THR 457 Cb -0.13 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 1cgt s THR 457 CO 0.03 0.31 1.74 -0.62 -0.69 0.00 0.00 174.62 175.39 1cgt s ASP 458 N -1.59 6.60 0.49 3.53 2.15 -1.26 -4.68 116.67 121.91 1cgt s ASP 458 Ca 0.36 2.38 0.20 0.00 0.43 0.00 0.00 52.55 55.92 1cgt s ASP 458 Cb -0.16 -2.53 1.23 0.00 -0.30 0.00 0.00 42.92 41.16 1cgt s ASP 458 CO 0.19 -0.96 1.99 0.58 -0.17 0.00 0.00 175.17 176.80 1cgt h VAL 459 N 5.53 0.80 0.00 1.11 2.07 -1.30 0.99 116.25 125.45 1cgt h VAL 459 Ca -0.42 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1cgt h VAL 459 Cb 1.20 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1cgt h VAL 459 CO 0.95 0.03 0.00 0.18 0.02 0.00 0.00 177.57 178.75 1cgt n LEU 460 N -4.43 0.00 -2.39 2.57 4.77 -1.26 -4.89 117.00 111.37 1cgt n LEU 460 Ca 0.10 0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 1cgt n LEU 460 Cb 0.50 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1cgt n LEU 460 CO 0.35 -0.02 -0.25 0.61 -1.33 0.00 0.00 177.39 176.76 1cgt n GLY 461 N 0.70 -0.44 2.46 -0.72 0.00 0.34 -2.10 105.19 105.43 1cgt n GLY 461 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1cgt n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgt n GLY 462 N -0.97 0.39 0.27 -0.02 0.00 -1.26 -4.89 105.19 98.71 1cgt n GLY 462 Ca -0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.93 1cgt n GLY 462 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1cgt h VAL 463 N 0.00 0.35 -1.04 1.61 -1.51 -1.77 -1.30 116.25 112.59 1cgt h VAL 463 Ca 0.00 -0.57 -0.61 0.00 -1.23 0.00 0.00 66.70 64.30 1cgt h VAL 463 Cb 0.27 1.42 -0.38 0.00 -2.13 0.00 0.00 31.29 30.47 1cgt h VAL 463 CO 0.00 0.09 -0.22 0.18 -1.23 0.00 0.00 177.57 176.39 1cgt n LEU 464 N -3.38 5.81 -1.92 4.19 4.77 -1.26 -4.92 117.00 120.29 1cgt n LEU 464 Ca -0.01 -4.72 -0.18 0.00 -0.03 0.00 0.00 56.01 51.07 1cgt n LEU 464 Cb 0.27 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 1cgt n LEU 464 CO 0.29 1.94 -0.20 0.59 -1.33 0.00 0.00 177.39 178.68 1cgt n ASN 465 N -0.71 -5.00 -4.79 -1.43 3.02 -0.49 -1.55 115.26 104.32 1cgt n ASN 465 Ca 0.49 0.27 -0.30 0.00 -0.03 0.00 0.00 54.58 55.01 1cgt n ASN 465 Cb 0.78 -4.34 0.09 0.00 -0.61 0.00 0.00 39.78 35.70 1cgt n ASN 465 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1cgt s GLY 466 N -2.32 1.65 0.42 7.41 0.00 -1.22 -4.51 107.32 108.75 1cgt s GLY 466 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.78 1cgt s GLY 466 CO 0.00 0.40 0.06 0.54 0.00 0.00 0.00 173.10 174.10 1cgt s ASN 467 N -3.67 3.19 0.24 1.64 4.22 -1.26 -4.37 114.94 114.93 1cgt s ASN 467 Ca 0.60 -1.56 0.01 0.00 -2.14 0.00 0.00 52.86 49.78 1cgt s ASN 467 Cb -0.15 0.24 -0.04 0.00 1.28 0.00 0.00 41.25 42.58 1cgt s ASN 467 CO 0.55 -0.77 0.41 0.20 -2.04 0.00 0.00 177.10 175.45 1cgt s ASN 468 N -3.66 6.35 0.26 3.54 0.01 -1.26 -4.05 114.94 116.12 1cgt s ASN 468 Ca 0.24 0.31 0.01 0.00 -0.71 0.00 0.00 52.86 52.71 1cgt s ASN 468 Cb 0.05 -1.97 -0.05 0.00 0.41 0.00 0.00 41.25 39.69 1cgt s ASN 468 CO 0.12 -0.09 0.11 0.27 -1.51 0.00 0.00 177.10 176.00 1cgt s ILE 469 N -1.98 0.49 -0.06 0.60 -4.36 0.32 -4.96 121.20 111.24 1cgt s ILE 469 Ca 0.37 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 1cgt s ILE 469 Cb -0.10 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.02 1cgt s ILE 469 CO 0.30 0.00 -0.10 -0.89 0.24 0.00 0.00 174.94 174.49 1cgt s THR 470 N -3.75 0.97 -0.11 8.37 2.01 -1.26 0.25 115.64 122.12 1cgt s THR 470 Ca 0.37 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1cgt s THR 470 Cb 0.07 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 1cgt s THR 470 CO 0.14 0.32 0.03 -0.55 -0.69 0.00 0.00 174.62 173.87 1cgt s SER 471 N 0.76 5.43 -0.42 3.53 0.15 0.51 -2.05 113.70 121.61 1cgt s SER 471 Ca -0.13 0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.71 1cgt s SER 471 Cb -0.15 -1.65 0.12 0.00 -1.71 0.00 0.00 66.02 62.63 1cgt s SER 471 CO 0.02 0.34 0.18 -0.89 1.20 0.00 0.00 173.24 174.10 1cgt s THR 472 N -0.64 1.77 -1.43 6.45 2.01 -0.04 -1.47 115.64 122.29 1cgt s THR 472 Ca 0.11 -2.51 -0.08 0.00 0.31 0.00 0.00 61.69 59.53 1cgt s THR 472 Cb -0.12 -2.26 0.05 0.00 0.01 0.00 0.00 72.50 70.17 1cgt s THR 472 CO 0.02 -0.78 0.85 0.59 -0.69 0.00 0.00 174.62 174.61 1cgt n ASN 473 N 3.79 -3.16 0.00 3.53 4.13 -1.26 -1.91 115.26 120.39 1cgt n ASN 473 Ca 0.05 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.51 1cgt n ASN 473 Cb 0.37 -3.94 0.00 0.00 -1.54 0.00 0.00 39.78 34.67 1cgt n ASN 473 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cgt n GLY 474 N -1.66 2.96 3.72 7.41 0.00 -0.97 -4.93 105.19 111.72 1cgt n GLY 474 Ca -0.11 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1cgt n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cgt s SER 475 N 0.81 7.15 -0.15 1.61 0.01 -0.80 -0.44 113.70 121.89 1cgt s SER 475 Ca 0.00 2.02 -0.07 0.00 1.31 0.00 0.00 55.95 59.21 1cgt s SER 475 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1cgt s SER 475 CO 0.00 -0.38 0.08 -0.63 0.41 0.00 0.00 173.24 172.72 1cgt s ILE 476 N 0.67 5.00 0.59 1.44 -1.09 -0.08 -0.86 121.20 126.86 1cgt s ILE 476 Ca 0.55 0.03 -0.20 0.00 -2.23 0.00 0.00 60.65 58.81 1cgt s ILE 476 Cb -0.29 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1cgt s ILE 476 CO 0.31 0.52 1.27 0.20 -1.23 0.00 0.00 174.94 176.01 1cgt s ASN 477 N -0.22 5.11 0.34 3.58 0.02 -0.87 -4.34 114.94 118.56 1cgt s ASN 477 Ca 0.09 2.54 -0.29 0.00 -1.02 0.00 0.00 52.86 54.18 1cgt s ASN 477 Cb -0.12 -2.61 -0.11 0.00 0.02 0.00 0.00 41.25 38.43 1cgt s ASN 477 CO 0.01 -1.66 1.47 0.20 0.02 0.00 0.00 177.10 177.14 1cgt s ASN 478 N -1.37 6.47 0.20 -1.22 0.01 -1.26 -4.84 114.94 112.94 1cgt s ASN 478 Ca 0.77 2.91 -0.11 0.00 -0.71 0.00 0.00 52.86 55.72 1cgt s ASN 478 Cb -0.35 -2.65 -0.01 0.00 0.41 0.00 0.00 41.25 38.65 1cgt s ASN 478 CO 0.38 -0.79 0.37 0.72 -1.51 0.00 0.00 177.10 176.27 1cgt s PHE 479 N -0.78 0.40 -0.20 2.20 -0.71 -0.97 -5.01 117.98 112.92 1cgt s PHE 479 Ca 0.55 -0.75 -0.06 0.00 -1.04 0.00 0.00 56.93 55.63 1cgt s PHE 479 Cb -0.45 0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.37 1cgt s PHE 479 CO 0.56 -0.84 0.03 0.99 -1.34 0.00 0.00 175.22 174.62 1cgt s THR 480 N -3.99 4.24 -0.32 -4.49 2.01 -1.26 -0.25 115.64 111.57 1cgt s THR 480 Ca 0.20 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.81 1cgt s THR 480 Cb 0.02 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 1cgt s THR 480 CO 0.04 0.42 0.49 -0.22 -0.69 0.00 0.00 174.62 174.66 1cgt s LEU 481 N 0.91 4.26 0.88 4.42 2.96 0.21 -4.92 118.68 127.41 1cgt s LEU 481 Ca 0.02 0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.93 1cgt s LEU 481 Cb -0.14 -2.57 0.12 0.00 0.50 0.00 0.00 46.19 44.10 1cgt s LEU 481 CO 0.02 -0.40 1.11 0.00 -1.32 0.00 0.00 176.35 175.76 1cgt s ALA 482 N 2.32 1.63 0.18 5.97 0.00 -1.26 -0.36 121.76 130.23 1cgt s ALA 482 Ca 0.18 0.34 -0.33 0.00 0.00 0.00 0.00 51.96 52.15 1cgt s ALA 482 Cb -0.16 -3.34 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 1cgt s ALA 482 CO 0.12 -2.42 1.50 0.00 0.00 0.00 0.00 175.76 174.95 1cgt n ALA 483 N -3.98 1.00 -1.32 0.00 0.00 -1.26 -1.63 120.51 113.32 1cgt n ALA 483 Ca 0.10 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.87 1cgt n ALA 483 Cb 0.53 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 1cgt n ALA 483 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cgt n GLY 484 N 2.94 1.13 3.83 0.00 0.00 0.28 -4.95 105.19 108.41 1cgt n GLY 484 Ca 0.16 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1cgt n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgt s ALA 485 N -2.13 3.04 -0.08 4.61 0.00 -0.65 -4.82 121.76 121.73 1cgt s ALA 485 Ca 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 1cgt s ALA 485 Cb 0.00 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1cgt s ALA 485 CO 0.00 0.00 0.21 -0.08 0.00 0.00 0.00 175.76 175.89 1cgt s THR 486 N -2.30 -0.02 0.03 0.00 -1.32 -0.59 -0.73 115.64 110.72 1cgt s THR 486 Ca 0.61 0.06 0.03 0.00 -1.21 0.00 0.00 61.69 61.18 1cgt s THR 486 Cb -0.10 -0.30 -0.02 0.00 -1.51 0.00 0.00 72.50 70.57 1cgt s THR 486 CO 0.19 0.02 -0.09 0.00 -2.21 0.00 0.00 174.62 172.53 1cgt s ALA 487 N 0.51 0.70 -0.08 11.08 0.00 -0.86 -3.41 121.76 129.69 1cgt s ALA 487 Ca -0.03 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1cgt s ALA 487 Cb -0.05 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1cgt s ALA 487 CO -0.03 0.08 -0.12 0.08 0.00 0.00 0.00 175.76 175.78 1cgt s VAL 488 N -0.91 1.15 -0.03 0.00 1.01 -1.26 -1.43 120.40 118.93 1cgt s VAL 488 Ca -0.04 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1cgt s VAL 488 Cb -0.07 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1cgt s VAL 488 CO 0.00 0.37 -0.21 0.26 0.00 0.00 0.00 175.10 175.52 1cgt s TRP 489 N 0.92 2.02 0.12 5.22 0.51 0.05 -0.71 118.94 127.06 1cgt s TRP 489 Ca -0.10 -0.50 -0.04 0.00 -2.12 0.00 0.00 56.10 53.34 1cgt s TRP 489 Cb -0.15 -1.32 -0.03 0.00 -0.81 0.00 0.00 33.47 31.16 1cgt s TRP 489 CO 0.01 -0.12 0.12 1.14 -0.51 0.00 0.00 176.95 177.58 1cgt s GLN 490 N -0.27 0.91 -0.13 4.98 -2.07 -1.26 -0.65 119.66 121.17 1cgt s GLN 490 Ca 0.02 -1.25 -0.05 0.00 -1.82 0.00 0.00 55.36 52.26 1cgt s GLN 490 Cb -0.11 0.28 0.06 0.00 -1.09 0.00 0.00 33.01 32.16 1cgt s GLN 490 CO 0.01 -0.27 0.26 -0.47 -1.32 0.00 0.00 175.29 173.50 1cgt s TYR 491 N -3.97 -0.41 0.15 9.60 5.04 -0.14 -5.00 117.35 122.62 1cgt s TYR 491 Ca 0.16 0.94 0.10 0.00 -2.44 0.00 0.00 57.07 55.83 1cgt s TYR 491 Cb 0.06 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.31 1cgt s TYR 491 CO -0.03 -0.33 -0.23 0.99 -1.34 0.00 0.00 175.55 174.61 1cgt s THR 492 N 2.21 2.10 0.33 4.34 2.01 -1.26 -0.71 115.64 124.65 1cgt s THR 492 Ca -0.01 -1.85 -0.12 0.00 0.31 0.00 0.00 61.69 60.03 1cgt s THR 492 Cb -0.12 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.49 1cgt s THR 492 CO -0.09 -0.09 0.62 0.28 -0.69 0.00 0.00 174.62 174.65 1cgt s THR 493 N -1.49 0.00 0.21 -0.82 -1.32 -1.26 -4.98 115.64 105.97 1cgt s THR 493 Ca 0.15 -1.26 -0.26 0.00 -1.21 0.00 0.00 61.69 59.12 1cgt s THR 493 Cb -0.08 -2.55 -0.08 0.00 -1.51 0.00 0.00 72.50 68.27 1cgt s THR 493 CO 0.07 0.00 0.82 0.00 -2.21 0.00 0.00 174.62 173.30 1cgt s ALA 494 N -3.10 3.40 0.11 11.08 0.00 -1.26 -4.80 121.76 127.19 1cgt s ALA 494 Ca 0.21 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 1cgt s ALA 494 Cb -0.03 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 1cgt s ALA 494 CO 0.13 0.27 0.53 -2.00 0.00 0.00 0.00 175.76 174.68 1cgt s GLU 495 N -1.37 4.01 -0.04 0.00 2.56 -1.26 -4.97 118.70 117.62 1cgt s GLU 495 Ca 0.39 0.52 0.08 0.00 0.00 0.00 0.00 54.97 55.96 1cgt s GLU 495 Cb -0.22 -3.04 -0.11 0.00 2.00 0.00 0.00 34.13 32.75 1cgt s GLU 495 CO 0.26 0.55 0.11 -2.37 -0.56 0.00 0.00 175.26 173.25 1cgt n THR 496 N 1.15 0.26 -4.16 -1.70 5.66 -1.26 -4.31 114.28 109.93 1cgt n THR 496 Ca -0.08 -0.26 -0.24 0.00 -3.05 0.00 0.00 64.05 60.43 1cgt n THR 496 Cb 0.52 -0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 69.00 1cgt n THR 496 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1cgt s THR 497 N -2.39 4.16 0.07 1.09 -4.23 -1.26 -4.93 115.64 108.15 1cgt s THR 497 Ca -0.03 -1.44 -0.31 0.00 -1.18 0.00 0.00 61.69 58.73 1cgt s THR 497 Cb 0.04 -3.19 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 1cgt s THR 497 CO 0.34 -0.27 1.36 -2.16 -0.54 0.00 0.00 174.62 173.34 1cgt s PRO 498 N -3.53 4.33 -0.03 3.99 0.04 -0.95 -4.27 135.00 134.59 1cgt s PRO 498 Ca 0.31 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 1cgt s PRO 498 Cb -0.08 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1cgt s PRO 498 CO 0.23 -0.45 0.05 -0.08 0.04 0.00 0.00 177.00 176.79 1cgt s THR 499 N 1.51 -0.09 -0.17 1.26 -1.32 -0.22 -4.20 115.64 112.41 1cgt s THR 499 Ca 0.63 0.32 -0.26 0.00 -1.21 0.00 0.00 61.69 61.18 1cgt s THR 499 Cb -0.34 -0.12 -0.01 0.00 -1.51 0.00 0.00 72.50 70.52 1cgt s THR 499 CO 0.29 0.13 0.84 -0.63 -2.21 0.00 0.00 174.62 173.04 1cgt s ILE 500 N 1.61 4.87 -0.17 5.08 1.01 -1.26 -1.53 121.20 130.81 1cgt s ILE 500 Ca -0.02 1.66 0.10 0.00 0.00 0.00 0.00 60.65 62.39 1cgt s ILE 500 Cb -0.13 -4.15 -0.23 0.00 0.01 0.00 0.00 42.46 37.97 1cgt s ILE 500 CO -0.03 0.02 0.17 0.61 0.00 0.00 0.00 174.94 175.71 1cgt n GLY 501 N 3.43 -0.80 3.47 6.18 0.00 0.74 -4.96 105.19 113.25 1cgt n GLY 501 Ca 0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 1cgt n GLY 501 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1cgt s HIS 502 N -2.53 -0.58 -0.07 1.61 5.65 -0.95 -4.87 115.29 113.55 1cgt s HIS 502 Ca -0.16 0.95 0.02 0.00 0.25 0.00 0.00 55.06 56.13 1cgt s HIS 502 Cb 0.07 0.37 0.01 0.00 -1.18 0.00 0.00 32.58 31.86 1cgt s HIS 502 CO 0.77 -0.59 -0.14 0.08 -0.65 0.00 0.00 174.74 174.21 1cgt s VAL 503 N -1.38 1.28 -0.02 0.89 1.01 -1.26 -0.93 120.40 119.99 1cgt s VAL 503 Ca -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1cgt s VAL 503 Cb -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1cgt s VAL 503 CO 0.08 0.39 0.06 -0.83 0.00 0.00 0.00 175.10 174.79 1cgt s GLY 504 N 0.68 -0.03 1.24 4.51 0.00 -0.34 -4.39 107.32 108.99 1cgt s GLY 504 Ca -0.14 0.19 -0.19 0.00 0.00 0.00 0.00 44.72 44.57 1cgt s GLY 504 CO 0.04 0.20 1.07 2.56 0.00 0.00 0.00 173.10 176.98 1cgt s PRO 505 N 0.14 -1.48 -0.23 2.90 0.04 -1.26 -0.74 135.00 134.36 1cgt s PRO 505 Ca -0.01 0.01 0.13 0.00 0.04 0.00 0.00 61.00 61.17 1cgt s PRO 505 Cb -0.02 -1.56 0.52 0.00 0.04 0.00 0.00 34.50 33.49 1cgt s PRO 505 CO -0.00 -3.90 1.45 1.33 0.04 0.00 0.00 177.00 175.92 1cgt n VAL 506 N -4.91 2.42 -3.78 -0.36 0.24 -1.26 -4.82 118.33 105.85 1cgt n VAL 506 Ca 0.12 -2.24 -0.13 0.00 -2.04 0.00 0.00 64.34 60.06 1cgt n VAL 506 Cb 0.59 -0.29 -0.12 0.00 -1.47 0.00 0.00 33.84 32.56 1cgt n VAL 506 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1cgt s MET 507 N -3.02 0.28 0.00 7.34 -2.45 -1.26 -0.69 119.30 119.51 1cgt s MET 507 Ca 0.43 0.35 0.00 0.00 -1.25 0.00 0.00 55.69 55.23 1cgt s MET 507 Cb 0.37 0.13 0.00 0.00 1.25 0.00 0.00 34.83 36.58 1cgt s MET 507 CO 0.05 -0.04 0.00 0.41 1.05 0.00 0.00 175.02 176.49 1cgt n GLY 508 N 3.02 0.47 3.97 2.11 0.00 -0.48 -4.97 105.19 109.31 1cgt n GLY 508 Ca -0.13 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1cgt n GLY 508 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cgt s LYS 509 N -2.00 3.24 0.18 1.61 -2.85 -1.26 0.06 119.74 118.72 1cgt s LYS 509 Ca 0.00 -0.78 -0.33 0.00 -1.00 0.00 0.00 55.97 53.86 1cgt s LYS 509 Cb 0.00 -2.78 -0.15 0.00 -2.06 0.00 0.00 37.83 32.84 1cgt s LYS 509 CO 0.00 0.11 1.25 -2.30 0.10 0.00 0.00 175.35 174.52 1cgt n PRO 510 N -1.67 1.42 0.00 1.78 -0.02 -1.26 -2.17 135.00 133.09 1cgt n PRO 510 Ca -0.03 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1cgt n PRO 510 Cb 0.57 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1cgt n PRO 510 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cgt n GLY 511 N 2.13 3.10 3.79 -1.23 0.00 0.23 -4.94 105.19 108.28 1cgt n GLY 511 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1cgt n GLY 511 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cgt s ASN 512 N -0.89 5.75 -0.20 1.61 -0.87 -0.92 -4.70 114.94 114.72 1cgt s ASN 512 Ca 0.00 1.90 -0.08 0.00 -1.57 0.00 0.00 52.86 53.11 1cgt s ASN 512 Cb 0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 1cgt s ASN 512 CO 0.00 -1.19 0.07 -0.69 -2.57 0.00 0.00 177.10 172.72 1cgt s VAL 513 N -2.30 4.74 0.21 1.60 1.01 -1.26 -0.90 120.40 123.50 1cgt s VAL 513 Ca 0.66 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.69 1cgt s VAL 513 Cb -0.18 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1cgt s VAL 513 CO 0.34 0.43 -0.12 0.68 0.00 0.00 0.00 175.10 176.43 1cgt s VAL 514 N 0.60 2.98 -0.23 2.92 -7.23 -0.50 -4.79 120.40 114.15 1cgt s VAL 514 Ca 0.03 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 1cgt s VAL 514 Cb -0.13 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1cgt s VAL 514 CO 0.01 -0.19 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.70 1cgt s THR 515 N -1.90 3.51 -0.25 5.32 2.01 0.08 -1.73 115.64 122.69 1cgt s THR 515 Ca 0.26 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 1cgt s THR 515 Cb -0.08 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1cgt s THR 515 CO 0.15 0.39 0.13 -0.63 -0.69 0.00 0.00 174.62 173.97 1cgt s ILE 516 N 1.50 4.94 0.14 1.82 1.01 -0.16 -1.19 121.20 129.25 1cgt s ILE 516 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.83 1cgt s ILE 516 Cb -0.15 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1cgt s ILE 516 CO -0.02 0.32 -0.11 -1.81 0.00 0.00 0.00 174.94 173.32 1cgt s ASP 517 N 1.45 4.25 0.00 3.58 1.01 -0.10 -0.95 116.67 125.90 1cgt s ASP 517 Ca 0.06 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.83 1cgt s ASP 517 Cb -0.15 -0.74 0.00 0.00 1.01 0.00 0.00 42.92 43.04 1cgt s ASP 517 CO 0.06 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.20 1cgt n GLY 518 N 0.42 -0.60 3.04 0.21 0.00 -0.09 -0.19 105.19 107.99 1cgt n GLY 518 Ca -0.13 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1cgt n GLY 518 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cgt s ARG 519 N -1.48 0.39 -0.38 1.61 1.81 -0.58 -4.29 118.95 116.03 1cgt s ARG 519 Ca 0.00 -0.50 -0.00 0.00 -1.72 0.00 0.00 55.73 53.51 1cgt s ARG 519 Cb 0.00 0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.65 1cgt s ARG 519 CO 0.00 -0.08 0.03 0.41 -0.68 0.00 0.00 175.30 174.98 1cgt n GLY 520 N 1.56 0.23 0.09 -3.53 0.00 -1.04 -1.06 105.19 101.44 1cgt n GLY 520 Ca -0.23 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.24 1cgt n GLY 520 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1cgt h PHE 521 N -0.07 0.00 -1.41 1.61 0.04 -1.50 -2.51 116.94 113.10 1cgt h PHE 521 Ca -0.11 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.83 1cgt h PHE 521 Cb 1.08 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.19 1cgt h PHE 521 CO 0.12 0.00 -0.23 0.41 -0.60 0.00 0.00 178.31 178.01 1cgt n GLY 522 N 1.30 -1.56 0.06 -1.45 0.00 -1.26 -4.57 105.19 97.71 1cgt n GLY 522 Ca 0.04 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.80 1cgt n GLY 522 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cgt n SER 523 N -2.45 0.84 -4.56 1.61 7.64 -1.26 -2.34 113.62 113.09 1cgt n SER 523 Ca 0.00 -0.67 -0.39 0.00 1.01 0.00 0.00 58.87 58.82 1cgt n SER 523 Cb 0.29 0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 63.91 1cgt n SER 523 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1cgt s THR 524 N -2.92 5.29 -0.11 0.44 2.01 -1.26 -4.82 115.64 114.27 1cgt s THR 524 Ca 0.12 0.02 -0.35 0.00 0.31 0.00 0.00 61.69 61.79 1cgt s THR 524 Cb 0.17 -3.63 -0.13 0.00 0.01 0.00 0.00 72.50 68.92 1cgt s THR 524 CO 0.74 0.12 1.84 1.17 -0.69 0.00 0.00 174.62 177.79 1cgt n LYS 525 N 5.11 1.99 0.00 4.92 4.81 -1.26 -4.87 118.16 128.87 1cgt n LYS 525 Ca -0.13 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1cgt n LYS 525 Cb 0.51 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1cgt n LYS 525 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cgt n GLY 526 N 4.30 2.82 3.18 3.14 0.00 -1.26 -5.01 105.19 112.36 1cgt n GLY 526 Ca 0.23 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1cgt n GLY 526 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cgt s THR 527 N 4.71 1.36 -0.08 2.61 -1.32 -0.99 -4.58 115.64 117.35 1cgt s THR 527 Ca 0.00 -1.01 -0.01 0.00 -1.21 0.00 0.00 61.69 59.46 1cgt s THR 527 Cb 0.00 -1.19 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 1cgt s THR 527 CO 0.00 0.16 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.87 1cgt s VAL 528 N -0.72 4.15 -0.11 5.08 1.01 -0.52 -0.70 120.40 128.59 1cgt s VAL 528 Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1cgt s VAL 528 Cb -0.08 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1cgt s VAL 528 CO 0.01 0.60 -0.14 -0.31 0.00 0.00 0.00 175.10 175.27 1cgt s TYR 529 N -0.84 2.78 -0.41 5.22 2.02 0.85 0.09 117.35 127.05 1cgt s TYR 529 Ca 0.13 -0.52 -0.05 0.00 -0.37 0.00 0.00 57.07 56.26 1cgt s TYR 529 Cb -0.11 -1.79 0.10 0.00 -0.40 0.00 0.00 41.96 39.76 1cgt s TYR 529 CO 0.02 -0.11 0.21 -0.06 -1.57 0.00 0.00 175.55 174.04 1cgt s PHE 530 N 0.07 3.49 0.00 2.71 0.40 -0.11 -1.87 117.98 122.66 1cgt s PHE 530 Ca -0.05 -2.14 0.00 0.00 -0.60 0.00 0.00 56.93 54.14 1cgt s PHE 530 Cb -0.15 -3.10 0.00 0.00 0.51 0.00 0.00 43.02 40.28 1cgt s PHE 530 CO 0.04 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.44 1cgt n GLY 531 N 4.69 3.78 0.11 4.36 0.00 -0.29 -1.77 105.19 116.07 1cgt n GLY 531 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1cgt n GLY 531 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cgt h THR 532 N 0.00 0.92 -2.81 2.61 2.02 -1.92 -3.47 112.91 110.26 1cgt h THR 532 Ca 0.00 -2.41 -0.54 0.00 0.77 0.00 0.00 66.41 64.23 1cgt h THR 532 Cb 0.00 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1cgt h THR 532 CO 0.00 0.52 0.92 -0.89 0.37 0.00 0.00 175.52 176.44 1cgt s THR 533 N -2.88 3.54 0.11 3.16 2.01 -0.73 -5.01 115.64 115.85 1cgt s THR 533 Ca 0.01 0.90 -0.22 0.00 0.31 0.00 0.00 61.69 62.69 1cgt s THR 533 Cb 0.08 -3.58 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 1cgt s THR 533 CO 0.78 -0.02 0.66 0.00 -0.69 0.00 0.00 174.62 175.36 1cgt s ALA 534 N 2.75 3.53 -0.10 7.40 0.00 -1.26 -0.94 121.76 133.14 1cgt s ALA 534 Ca 0.67 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.84 1cgt s ALA 534 Cb -0.33 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1cgt s ALA 534 CO 0.28 0.35 -0.18 0.08 0.00 0.00 0.00 175.76 176.28 1cgt s VAL 535 N -1.10 1.66 0.23 0.00 1.01 0.11 -4.97 120.40 117.35 1cgt s VAL 535 Ca 0.32 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1cgt s VAL 535 Cb -0.21 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1cgt s VAL 535 CO 0.22 0.47 0.19 0.42 0.00 0.00 0.00 175.10 176.40 1cgt s THR 536 N 0.62 0.00 0.00 3.92 -4.23 -1.26 -1.44 115.64 113.25 1cgt s THR 536 Ca -0.14 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1cgt s THR 536 Cb -0.16 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1cgt s THR 536 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1cgt n GLY 537 N -0.34 2.15 0.23 3.99 0.00 -1.26 -2.82 105.19 107.14 1cgt n GLY 537 Ca 0.03 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1cgt n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgt h ALA 538 N -0.58 1.29 0.00 4.61 0.00 -2.00 -1.96 119.26 120.62 1cgt h ALA 538 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1cgt h ALA 538 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1cgt h ALA 538 CO 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.42 1cgt h ALA 539 N 1.79 1.65 -1.93 0.00 0.00 -1.93 -3.35 119.26 115.49 1cgt h ALA 539 Ca -0.00 -0.08 -0.62 0.00 0.00 0.00 0.00 54.91 54.21 1cgt h ALA 539 Cb 0.48 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 1cgt h ALA 539 CO 0.03 0.10 0.47 0.42 0.00 0.00 0.00 179.25 180.27 1cgt s ILE 540 N -4.66 4.52 0.21 0.00 1.01 -0.74 -1.25 121.20 120.29 1cgt s ILE 540 Ca -0.04 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.08 1cgt s ILE 540 Cb 0.15 -4.43 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 1cgt s ILE 540 CO 0.63 -0.91 1.47 0.71 0.00 0.00 0.00 174.94 176.85 1cgt h THR 541 N 6.01 1.56 -2.84 2.92 1.35 -0.86 -3.46 112.91 117.59 1cgt h THR 541 Ca -0.25 -2.67 -0.07 0.00 -0.55 0.00 0.00 66.41 62.86 1cgt h THR 541 Cb 1.08 2.44 -0.17 0.00 -1.73 0.00 0.00 68.15 69.77 1cgt h THR 541 CO 1.03 0.76 -0.03 -0.94 -0.25 0.00 0.00 175.52 176.09 1cgt s SER 542 N -6.79 -0.37 -0.15 5.36 1.04 -1.05 -4.94 113.70 106.80 1cgt s SER 542 Ca -0.00 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.52 1cgt s SER 542 Cb 0.12 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.76 1cgt s SER 542 CO 0.79 -0.67 0.26 0.86 0.98 0.00 0.00 173.24 175.46 1cgt s TRP 543 N -2.29 -0.43 0.32 5.02 -0.11 -1.26 -1.15 118.94 119.05 1cgt s TRP 543 Ca -0.06 0.86 0.07 0.00 1.22 0.00 0.00 56.10 58.19 1cgt s TRP 543 Cb -0.01 -0.08 -0.02 0.00 -1.50 0.00 0.00 33.47 31.86 1cgt s TRP 543 CO -0.01 -0.41 0.29 -0.85 -4.62 0.00 0.00 176.95 171.35 1cgt n GLU 544 N 5.35 0.42 -0.24 5.86 0.28 -0.56 -4.78 120.64 126.97 1cgt n GLU 544 Ca -0.06 -3.19 0.03 0.00 -0.16 0.00 0.00 57.16 53.78 1cgt n GLU 544 Cb 0.50 2.66 0.26 0.00 1.43 0.00 0.00 31.44 36.28 1cgt n GLU 544 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1cgt h ASP 545 N 1.98 0.85 -0.01 -1.84 3.58 -1.78 -3.06 116.42 116.14 1cgt h ASP 545 Ca -0.23 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1cgt h ASP 545 Cb 1.16 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1cgt h ASP 545 CO 0.33 0.58 -0.28 0.35 -2.88 0.00 0.00 179.24 177.34 1cgt n THR 546 N -4.45 0.00 -3.69 2.25 -2.24 -1.26 -1.46 114.28 103.42 1cgt n THR 546 Ca 0.11 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1cgt n THR 546 Cb 0.13 1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 69.44 1cgt n THR 546 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1cgt s GLN 547 N -1.73 0.48 -0.04 -0.78 0.74 -1.16 -0.91 119.66 116.26 1cgt s GLN 547 Ca 0.13 0.81 0.06 0.00 0.05 0.00 0.00 55.36 56.41 1cgt s GLN 547 Cb 0.12 0.08 -0.01 0.00 1.10 0.00 0.00 33.01 34.30 1cgt s GLN 547 CO 0.35 -0.13 -0.22 0.42 -0.55 0.00 0.00 175.29 175.16 1cgt s ILE 548 N 1.11 1.83 -0.14 -2.34 1.01 -0.13 -1.50 121.20 121.04 1cgt s ILE 548 Ca -0.07 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.62 1cgt s ILE 548 Cb -0.06 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1cgt s ILE 548 CO -0.10 0.51 -0.13 -0.54 0.00 0.00 0.00 174.94 174.69 1cgt s LYS 549 N -0.19 3.36 0.02 2.79 1.02 -0.30 -0.99 119.74 125.45 1cgt s LYS 549 Ca -0.01 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.31 1cgt s LYS 549 Cb -0.12 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1cgt s LYS 549 CO 0.02 0.14 -0.07 0.54 -0.92 0.00 0.00 175.35 175.06 1cgt s VAL 550 N 0.54 0.52 0.14 3.17 0.11 -0.70 -0.38 120.40 123.79 1cgt s VAL 550 Ca -0.08 -0.64 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 1cgt s VAL 550 Cb -0.16 -0.51 -0.07 0.00 -1.53 0.00 0.00 36.38 34.12 1cgt s VAL 550 CO 0.04 -0.10 1.09 -0.89 -3.33 0.00 0.00 175.10 171.90 1cgt s THR 551 N -0.71 4.03 -0.02 5.04 2.01 -0.38 -1.40 115.64 124.21 1cgt s THR 551 Ca -0.03 1.68 -0.30 0.00 0.31 0.00 0.00 61.69 63.34 1cgt s THR 551 Cb -0.06 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 1cgt s THR 551 CO 0.00 0.25 1.53 -0.63 -0.69 0.00 0.00 174.62 175.09 1cgt s ILE 552 N 0.05 3.57 0.69 1.82 1.01 -0.08 -4.86 121.20 123.41 1cgt s ILE 552 Ca 0.51 0.87 -0.15 0.00 0.00 0.00 0.00 60.65 61.87 1cgt s ILE 552 Cb -0.28 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1cgt s ILE 552 CO 0.33 -0.03 1.17 -2.16 0.00 0.00 0.00 174.94 174.24 1cgt s PRO 553 N 3.11 2.44 -1.10 2.79 0.04 -1.26 -0.60 135.00 140.43 1cgt s PRO 553 Ca 0.68 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 63.13 1cgt s PRO 553 Cb -0.33 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1cgt s PRO 553 CO 0.28 -1.57 1.55 -1.12 0.04 0.00 0.00 177.00 176.17 1cgt s SER 554 N -2.22 6.54 0.35 6.66 0.01 -1.26 -4.49 113.70 119.30 1cgt s SER 554 Ca 0.72 -1.70 0.05 0.00 1.31 0.00 0.00 55.95 56.32 1cgt s SER 554 Cb -0.26 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.33 1cgt s SER 554 CO 0.43 -1.47 0.03 0.68 0.41 0.00 0.00 173.24 173.32 1cgt s VAL 555 N 4.98 1.49 0.29 3.43 -7.23 -1.26 -5.10 120.40 117.00 1cgt s VAL 555 Ca 0.49 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 1cgt s VAL 555 Cb 0.01 -2.84 -0.12 0.00 0.56 0.00 0.00 36.38 33.99 1cgt s VAL 555 CO -0.05 -0.02 1.53 0.00 -0.31 0.00 0.00 175.10 176.26 1cgt n ALA 556 N -0.77 2.17 -1.67 1.32 0.00 -1.26 -4.93 120.51 115.36 1cgt n ALA 556 Ca -0.03 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 1cgt n ALA 556 Cb 0.67 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 1cgt n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cgt n ALA 557 N 1.88 0.90 0.00 0.00 0.00 -1.26 -4.90 120.51 117.13 1cgt n ALA 557 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1cgt n ALA 557 Cb 0.36 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1cgt n ALA 557 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cgt n GLY 558 N 1.04 -1.05 3.72 0.00 0.00 -0.68 -4.72 105.19 103.50 1cgt n GLY 558 Ca 0.07 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1cgt n GLY 558 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cgt s ASN 559 N -4.00 6.17 0.12 1.61 2.47 -1.26 -0.98 114.94 119.07 1cgt s ASN 559 Ca 0.00 0.21 0.06 0.00 0.42 0.00 0.00 52.86 53.55 1cgt s ASN 559 Cb 0.00 -2.09 -0.04 0.00 -1.45 0.00 0.00 41.25 37.68 1cgt s ASN 559 CO 0.00 0.17 -0.15 -0.31 -3.72 0.00 0.00 177.10 173.09 1cgt s TYR 560 N 0.43 1.44 -0.09 0.43 1.51 0.61 -4.92 117.35 116.76 1cgt s TYR 560 Ca 0.08 -0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 55.57 1cgt s TYR 560 Cb -0.11 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1cgt s TYR 560 CO -0.01 0.16 0.06 0.00 -1.11 0.00 0.00 175.55 174.65 1cgt s ALA 561 N -2.02 3.55 -0.11 3.71 0.00 -1.26 -0.94 121.76 124.69 1cgt s ALA 561 Ca 0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1cgt s ALA 561 Cb -0.06 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1cgt s ALA 561 CO 0.03 0.61 0.06 0.08 0.00 0.00 0.00 175.76 176.55 1cgt s VAL 562 N -0.97 4.83 0.00 0.00 1.01 -0.14 -1.13 120.40 124.00 1cgt s VAL 562 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1cgt s VAL 562 Cb -0.12 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1cgt s VAL 562 CO 0.04 0.60 0.02 -0.75 0.00 0.00 0.00 175.10 175.00 1cgt s LYS 563 N -0.80 0.22 0.01 2.72 2.20 -0.78 -0.11 119.74 123.19 1cgt s LYS 563 Ca 0.13 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.48 1cgt s LYS 563 Cb -0.12 0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.26 1cgt s LYS 563 CO 0.03 -0.04 -0.15 0.08 -0.36 0.00 0.00 175.35 174.90 1cgt s VAL 564 N -0.85 2.98 -0.14 4.02 1.01 -1.26 -0.11 120.40 126.06 1cgt s VAL 564 Ca -0.09 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1cgt s VAL 564 Cb -0.06 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1cgt s VAL 564 CO -0.00 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.37 1cgt s ALA 565 N -0.87 1.87 -0.12 5.51 0.00 0.13 -0.49 121.76 127.78 1cgt s ALA 565 Ca 0.14 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1cgt s ALA 565 Cb -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1cgt s ALA 565 CO 0.04 -0.25 -0.13 0.00 0.00 0.00 0.00 175.76 175.42 1cgt s ALA 566 N 1.25 1.62 -1.39 0.00 0.00 0.62 -2.35 121.76 121.51 1cgt s ALA 566 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1cgt s ALA 566 Cb -0.14 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.13 1cgt s ALA 566 CO -0.07 -0.22 0.92 0.43 0.00 0.00 0.00 175.76 176.82 1cgt n SER 567 N 4.50 -3.53 0.00 0.00 7.64 -1.26 -0.98 113.62 119.99 1cgt n SER 567 Ca -0.17 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1cgt n SER 567 Cb 0.51 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 1cgt n SER 567 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cgt n GLY 568 N -1.65 0.38 3.60 0.23 0.00 -1.26 -4.98 105.19 101.51 1cgt n GLY 568 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1cgt n GLY 568 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgt s VAL 569 N -2.01 4.70 0.10 1.61 1.01 -0.15 -5.09 120.40 120.57 1cgt s VAL 569 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 1cgt s VAL 569 Cb 0.00 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 1cgt s VAL 569 CO 0.00 0.44 0.84 0.20 0.00 0.00 0.00 175.10 176.58 1cgt s ASN 570 N 0.56 7.35 0.92 3.32 -0.87 -1.26 -0.28 114.94 124.68 1cgt s ASN 570 Ca 0.03 1.61 -0.11 0.00 -1.57 0.00 0.00 52.86 52.82 1cgt s ASN 570 Cb -0.13 -2.52 0.19 0.00 -0.02 0.00 0.00 41.25 38.77 1cgt s ASN 570 CO 0.01 0.03 1.16 -1.54 -2.57 0.00 0.00 177.10 174.19 1cgt n SER 571 N 2.53 0.45 -4.74 -1.22 3.41 0.36 -4.87 113.62 109.54 1cgt n SER 571 Ca -0.02 -1.64 -0.35 0.00 -0.26 0.00 0.00 58.87 56.60 1cgt n SER 571 Cb 0.49 -0.85 0.07 0.00 -0.26 0.00 0.00 64.21 63.66 1cgt n SER 571 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cgt s ASN 572 N -5.36 4.63 0.08 4.04 4.22 -1.26 -4.75 114.94 116.54 1cgt s ASN 572 Ca 0.68 2.41 -0.20 0.00 -2.14 0.00 0.00 52.86 53.61 1cgt s ASN 572 Cb -0.02 -2.60 -0.07 0.00 1.28 0.00 0.00 41.25 39.84 1cgt s ASN 572 CO 0.47 -1.98 0.58 0.00 -2.04 0.00 0.00 177.10 174.14 1cgt s ALA 573 N -1.76 3.58 -0.37 3.54 0.00 -1.26 -4.57 121.76 120.93 1cgt s ALA 573 Ca 0.77 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 1cgt s ALA 573 Cb -0.31 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.17 1cgt s ALA 573 CO 0.40 0.39 0.20 -0.47 0.00 0.00 0.00 175.76 176.29 1cgt s TYR 574 N -1.12 3.23 0.72 0.00 5.04 0.85 -4.90 117.35 121.18 1cgt s TYR 574 Ca 0.30 -0.87 -0.11 0.00 -2.44 0.00 0.00 57.07 53.94 1cgt s TYR 574 Cb -0.20 -2.43 0.02 0.00 0.35 0.00 0.00 41.96 39.70 1cgt s TYR 574 CO 0.20 -0.61 1.08 -0.80 -1.34 0.00 0.00 175.55 174.07 1cgt s ASN 575 N 1.57 5.27 -1.10 4.32 0.01 -1.26 -0.96 114.94 122.78 1cgt s ASN 575 Ca 0.03 1.33 -0.00 0.00 -0.71 0.00 0.00 52.86 53.50 1cgt s ASN 575 Cb -0.19 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1cgt s ASN 575 CO 0.07 -1.48 0.92 0.59 -1.51 0.00 0.00 177.10 175.68 1cgt n ASN 576 N -3.12 -2.21 -4.69 -1.22 5.03 -1.12 -4.92 115.26 103.00 1cgt n ASN 576 Ca 0.07 -0.56 -0.39 0.00 0.87 0.00 0.00 54.58 54.57 1cgt n ASN 576 Cb 0.56 -4.70 -0.06 0.00 -1.02 0.00 0.00 39.78 34.56 1cgt n ASN 576 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1cgt s PHE 577 N -3.33 3.47 -0.30 3.10 2.19 -0.11 -4.90 117.98 118.11 1cgt s PHE 577 Ca 0.02 1.00 -0.16 0.00 0.33 0.00 0.00 56.93 58.13 1cgt s PHE 577 Cb -0.01 -2.72 -0.02 0.00 -1.31 0.00 0.00 43.02 38.95 1cgt s PHE 577 CO 0.66 0.01 0.40 0.99 1.83 0.00 0.00 175.22 179.11 1cgt s THR 578 N 1.20 5.14 -0.20 0.12 2.01 0.14 -0.29 115.64 123.75 1cgt s THR 578 Ca 0.30 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.62 1cgt s THR 578 Cb -0.16 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1cgt s THR 578 CO 0.12 0.03 0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 1cgt s ILE 579 N 2.13 5.36 0.50 1.82 1.01 -0.16 -1.39 121.20 130.48 1cgt s ILE 579 Ca 0.15 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 1cgt s ILE 579 Cb -0.16 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1cgt s ILE 579 CO 0.11 0.39 0.78 -0.76 0.00 0.00 0.00 174.94 175.46 1cgt s LEU 580 N 0.61 3.55 0.30 2.97 1.43 0.11 -1.69 118.68 125.96 1cgt s LEU 580 Ca 0.10 0.69 0.09 0.00 -1.03 0.00 0.00 54.13 53.98 1cgt s LEU 580 Cb -0.12 -3.58 0.48 0.00 0.03 0.00 0.00 46.19 43.00 1cgt s LEU 580 CO 0.01 -0.73 1.69 0.74 0.23 0.00 0.00 176.35 178.30 1cgt h THR 581 N 0.19 1.35 0.00 5.49 2.02 -1.94 -3.40 112.91 116.62 1cgt h THR 581 Ca -0.47 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1cgt h THR 581 Cb 1.23 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1cgt h THR 581 CO 0.60 0.49 0.00 0.61 0.37 0.00 0.00 175.52 177.60 1cgt n GLY 582 N -0.07 -0.60 3.71 2.16 0.00 -1.26 -4.86 105.19 104.27 1cgt n GLY 582 Ca -0.02 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1cgt n GLY 582 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cgt n ASP 583 N 0.00 2.23 -4.70 1.61 8.00 -1.26 -4.79 116.55 117.65 1cgt n ASP 583 Ca 0.00 0.97 -0.31 0.00 0.71 0.00 0.00 54.79 56.16 1cgt n ASP 583 Cb 0.00 -1.52 -0.08 0.00 -0.02 0.00 0.00 41.12 39.50 1cgt n ASP 583 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cgt s GLN 584 N -2.72 2.67 0.18 -1.24 -1.52 -1.26 -0.18 119.66 115.59 1cgt s GLN 584 Ca 0.71 -0.75 0.04 0.00 -1.95 0.00 0.00 55.36 53.40 1cgt s GLN 584 Cb -0.44 -2.61 -0.05 0.00 -0.22 0.00 0.00 33.01 29.70 1cgt s GLN 584 CO 0.50 0.57 -0.05 0.14 -0.25 0.00 0.00 175.29 176.20 1cgt s VAL 585 N -1.26 1.05 -0.19 1.09 -7.23 -0.08 -4.77 120.40 109.02 1cgt s VAL 585 Ca 0.25 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.32 1cgt s VAL 585 Cb -0.12 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 1cgt s VAL 585 CO 0.17 -0.54 0.01 -0.89 -0.31 0.00 0.00 175.10 173.53 1cgt s THR 586 N -3.41 4.16 -0.09 5.32 2.01 -1.07 -1.42 115.64 121.14 1cgt s THR 586 Ca 0.22 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1cgt s THR 586 Cb 0.04 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1cgt s THR 586 CO 0.04 0.44 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.52 1cgt s VAL 587 N 0.76 2.39 -0.25 3.82 1.01 -0.39 -2.68 120.40 125.07 1cgt s VAL 587 Ca 0.01 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 1cgt s VAL 587 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1cgt s VAL 587 CO 0.02 0.56 0.74 -0.60 0.00 0.00 0.00 175.10 175.81 1cgt s ARG 588 N 0.06 4.13 -0.18 2.72 3.52 -0.36 -0.58 118.95 128.26 1cgt s ARG 588 Ca -0.09 0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 56.09 1cgt s ARG 588 Cb -0.15 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1cgt s ARG 588 CO 0.06 -0.49 0.35 -0.06 -0.81 0.00 0.00 175.30 174.35 1cgt s PHE 589 N 2.70 3.42 -0.08 5.12 0.40 -0.14 -1.35 117.98 128.06 1cgt s PHE 589 Ca 0.31 0.62 0.04 0.00 -0.60 0.00 0.00 56.93 57.30 1cgt s PHE 589 Cb -0.15 -2.44 -0.00 0.00 0.51 0.00 0.00 43.02 40.94 1cgt s PHE 589 CO 0.08 0.12 -0.22 0.08 0.70 0.00 0.00 175.22 175.98 1cgt s VAL 590 N 0.86 1.85 -0.09 -0.44 1.01 -0.18 -1.84 120.40 121.57 1cgt s VAL 590 Ca 0.18 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1cgt s VAL 590 Cb -0.14 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.66 1cgt s VAL 590 CO 0.06 0.52 -0.13 0.54 0.00 0.00 0.00 175.10 176.09 1cgt s VAL 591 N 0.23 1.27 0.33 2.92 0.11 -0.34 -1.13 120.40 123.80 1cgt s VAL 591 Ca -0.13 -0.51 -0.06 0.00 -2.93 0.00 0.00 61.98 58.35 1cgt s VAL 591 Cb -0.16 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.45 1cgt s VAL 591 CO 0.06 0.40 0.62 0.20 -3.33 0.00 0.00 175.10 173.04 1cgt s ASN 592 N 1.03 6.45 -1.50 3.54 0.01 -0.30 -1.60 114.94 122.57 1cgt s ASN 592 Ca -0.07 0.81 -0.06 0.00 -0.71 0.00 0.00 52.86 52.84 1cgt s ASN 592 Cb -0.15 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.33 1cgt s ASN 592 CO -0.01 -0.27 0.74 0.59 -1.51 0.00 0.00 177.10 176.64 1cgt n ASN 593 N -1.12 -6.19 -4.35 -1.22 3.02 -1.13 -1.67 115.26 102.61 1cgt n ASN 593 Ca -0.01 -0.34 -0.46 0.00 -0.03 0.00 0.00 54.58 53.74 1cgt n ASN 593 Cb 0.54 -4.95 -0.01 0.00 -0.61 0.00 0.00 39.78 34.75 1cgt n ASN 593 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cgt s ALA 594 N -3.21 4.29 0.43 5.41 0.00 -0.19 -4.69 121.76 123.81 1cgt s ALA 594 Ca 0.37 -3.50 -0.23 0.00 0.00 0.00 0.00 51.96 48.60 1cgt s ALA 594 Cb -0.16 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 1cgt s ALA 594 CO 0.46 -2.34 1.07 -1.12 0.00 0.00 0.00 175.76 173.82 1cgt s SER 595 N 1.98 6.53 0.24 0.00 0.01 -1.26 -4.81 113.70 116.40 1cgt s SER 595 Ca 0.26 2.07 0.01 0.00 1.31 0.00 0.00 55.95 59.60 1cgt s SER 595 Cb -0.09 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1cgt s SER 595 CO -0.08 -0.65 0.10 0.42 0.41 0.00 0.00 173.24 173.44 1cgt s THR 596 N -1.70 0.40 0.59 1.44 -4.23 -1.26 -5.13 115.64 105.75 1cgt s THR 596 Ca 0.61 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1cgt s THR 596 Cb -0.22 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.06 1cgt s THR 596 CO 0.27 -0.01 0.87 -0.89 -0.54 0.00 0.00 174.62 174.32 1cgt s THR 597 N -3.87 3.00 0.14 3.99 2.01 -1.26 -5.00 115.64 114.64 1cgt s THR 597 Ca 0.38 -0.34 -0.31 0.00 0.31 0.00 0.00 61.69 61.72 1cgt s THR 597 Cb 0.08 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.30 1cgt s THR 597 CO 0.13 -0.17 1.50 -0.22 -0.69 0.00 0.00 174.62 175.17 1cgt s LEU 598 N -4.94 4.37 -0.03 4.42 2.96 -1.26 -1.99 118.68 122.21 1cgt s LEU 598 Ca 0.56 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.96 1cgt s LEU 598 Cb -0.10 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1cgt s LEU 598 CO 0.42 -0.76 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 1cgt n GLY 599 N 3.66 0.45 3.77 7.98 0.00 -1.26 -5.02 105.19 114.78 1cgt n GLY 599 Ca 0.13 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1cgt n GLY 599 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cgt s GLN 600 N -0.43 4.09 0.33 1.61 0.74 -0.84 -4.63 119.66 120.53 1cgt s GLN 600 Ca 0.00 0.19 0.09 0.00 0.05 0.00 0.00 55.36 55.69 1cgt s GLN 600 Cb 0.00 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 1cgt s GLN 600 CO 0.00 0.41 0.04 -0.80 -0.55 0.00 0.00 175.29 174.39 1cgt s ASN 601 N -0.08 4.33 -0.13 6.67 -0.87 -0.15 -4.75 114.94 119.96 1cgt s ASN 601 Ca 0.19 -0.91 -0.05 0.00 -1.57 0.00 0.00 52.86 50.52 1cgt s ASN 601 Cb -0.14 -0.60 -0.04 0.00 -0.02 0.00 0.00 41.25 40.45 1cgt s ASN 601 CO 0.07 -0.23 0.06 -0.22 -2.57 0.00 0.00 177.10 174.21 1cgt s LEU 602 N -3.74 3.88 0.26 0.60 2.96 -1.26 -1.63 118.68 119.75 1cgt s LEU 602 Ca 0.35 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1cgt s LEU 602 Cb -0.01 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1cgt s LEU 602 CO 0.20 0.32 0.03 -0.31 -1.32 0.00 0.00 176.35 175.27 1cgt s TYR 603 N -0.50 1.65 -0.02 5.38 1.51 0.04 -0.78 117.35 124.63 1cgt s TYR 603 Ca 0.10 -0.98 0.03 0.00 -1.01 0.00 0.00 57.07 55.21 1cgt s TYR 603 Cb -0.12 -0.99 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 1cgt s TYR 603 CO 0.02 -0.08 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.11 1cgt s LEU 604 N -3.35 1.83 0.30 -1.29 2.96 -0.22 -0.91 118.68 118.00 1cgt s LEU 604 Ca 0.32 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 1cgt s LEU 604 Cb 0.07 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 1cgt s LEU 604 CO 0.11 0.08 0.33 0.28 -1.32 0.00 0.00 176.35 175.83 1cgt s THR 605 N 0.12 0.00 0.00 3.68 -1.32 -0.48 -0.86 115.64 116.78 1cgt s THR 605 Ca -0.02 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 58.64 1cgt s THR 605 Cb -0.08 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1cgt s THR 605 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1cgt n GLY 606 N -0.51 0.64 1.78 6.08 0.00 -1.23 -1.69 105.19 110.26 1cgt n GLY 606 Ca 0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 1cgt n GLY 606 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cgt n ASN 607 N -0.07 4.47 -4.31 1.61 6.94 -0.56 -0.11 115.26 123.24 1cgt n ASN 607 Ca 0.00 -2.96 -0.18 0.00 -0.02 0.00 0.00 54.58 51.42 1cgt n ASN 607 Cb 0.00 -0.70 -0.10 0.00 -2.36 0.00 0.00 39.78 36.62 1cgt n ASN 607 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1cgt s VAL 608 N -2.54 1.60 0.45 3.53 -7.23 -1.26 -4.86 120.40 110.09 1cgt s VAL 608 Ca 0.46 -2.05 0.11 0.00 -1.81 0.00 0.00 61.98 58.69 1cgt s VAL 608 Cb 0.36 -1.89 0.28 0.00 0.56 0.00 0.00 36.38 35.69 1cgt s VAL 608 CO 0.12 -0.54 2.08 0.00 -0.31 0.00 0.00 175.10 176.45 1cgt h ALA 609 N 2.88 1.86 0.00 1.32 0.00 -1.88 -0.79 119.26 122.65 1cgt h ALA 609 Ca -0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1cgt h ALA 609 Cb 1.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1cgt h ALA 609 CO 0.58 0.11 -0.03 0.93 0.00 0.00 0.00 179.25 180.84 1cgt h GLU 610 N 0.33 0.00 -0.12 0.00 3.07 -1.94 0.17 114.58 116.08 1cgt h GLU 610 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1cgt h GLU 610 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1cgt h GLU 610 CO -0.02 0.03 0.00 1.28 -1.40 0.00 0.00 179.01 178.90 1cgt n LEU 611 N -3.68 2.97 0.00 1.33 4.77 -0.72 -4.93 117.00 116.74 1cgt n LEU 611 Ca -0.03 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1cgt n LEU 611 Cb 0.13 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1cgt n LEU 611 CO 0.27 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1cgt n GLY 612 N 1.27 0.84 3.91 -0.72 0.00 0.58 -3.50 105.19 107.56 1cgt n GLY 612 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1cgt n GLY 612 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cgt n ASN 613 N 0.00 -3.45 -1.02 1.61 3.02 -0.38 -1.44 115.26 113.60 1cgt n ASN 613 Ca 0.00 -1.12 -0.13 0.00 -0.03 0.00 0.00 54.58 53.29 1cgt n ASN 613 Cb 0.00 -2.66 -0.06 0.00 -0.61 0.00 0.00 39.78 36.46 1cgt n ASN 613 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1cgt n TRP 614 N -4.53 0.00 -2.30 3.10 7.02 0.85 -4.92 117.44 116.66 1cgt n TRP 614 Ca -0.16 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.00 1cgt n TRP 614 Cb 0.61 -2.80 -0.03 0.00 -2.42 0.00 0.00 31.31 26.67 1cgt n TRP 614 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1cgt s SER 615 N -2.56 6.54 -0.02 -0.99 0.15 -0.52 -4.93 113.70 111.37 1cgt s SER 615 Ca 0.00 1.54 0.11 0.00 0.70 0.00 0.00 55.95 58.30 1cgt s SER 615 Cb 0.00 -2.50 0.32 0.00 -1.71 0.00 0.00 66.02 62.13 1cgt s SER 615 CO 0.00 -0.64 1.27 0.35 1.20 0.00 0.00 173.24 175.41 1cgt n THR 616 N -1.81 1.16 -0.66 6.45 -2.24 -1.26 -4.44 114.28 111.47 1cgt n THR 616 Ca 0.06 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1cgt n THR 616 Cb 0.54 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1cgt n THR 616 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cgt n GLY 617 N 0.34 1.86 0.00 3.38 0.00 -1.26 -4.86 105.19 104.66 1cgt n GLY 617 Ca 0.12 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.41 1cgt n GLY 617 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cgt n SER 618 N 0.00 0.00 -0.27 1.61 3.41 -1.26 -2.00 113.62 115.11 1cgt n SER 618 Ca 0.00 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 1cgt n SER 618 Cb 0.00 -0.44 0.37 0.00 -0.26 0.00 0.00 64.21 63.89 1cgt n SER 618 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1cgt n THR 619 N -1.44 0.00 -1.67 6.66 -2.24 -1.26 -4.90 114.28 109.43 1cgt n THR 619 Ca 0.06 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 1cgt n THR 619 Cb 0.22 0.43 0.05 0.00 -2.10 0.00 0.00 70.33 68.93 1cgt n THR 619 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cgt s ALA 620 N -2.47 2.61 -0.05 6.98 0.00 -0.85 -3.34 121.76 124.64 1cgt s ALA 620 Ca 0.25 0.25 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 1cgt s ALA 620 Cb 0.19 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1cgt s ALA 620 CO 0.51 -1.20 0.49 0.42 0.00 0.00 0.00 175.76 175.98 1cgt s ILE 621 N -2.79 5.05 -3.22 0.00 -1.09 -0.04 -4.93 121.20 114.19 1cgt s ILE 621 Ca 0.61 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.04 1cgt s ILE 621 Cb -0.16 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1cgt s ILE 621 CO 0.49 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 175.24 1cgt n GLY 622 N 2.59 0.74 3.76 6.18 0.00 -1.26 -1.06 105.19 116.14 1cgt n GLY 622 Ca -0.09 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 1cgt n GLY 622 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cgt s PRO 623 N -1.26 3.77 0.84 1.61 0.04 -1.26 -5.06 135.00 133.68 1cgt s PRO 623 Ca 0.00 2.08 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1cgt s PRO 623 Cb 0.00 -2.59 0.10 0.00 0.04 0.00 0.00 34.50 32.05 1cgt s PRO 623 CO 0.00 -0.63 1.11 0.00 0.04 0.00 0.00 177.00 177.52 1cgt s ALA 624 N -1.34 1.86 0.33 8.56 0.00 0.04 -5.01 121.76 126.21 1cgt s ALA 624 Ca 0.61 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1cgt s ALA 624 Cb -0.36 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1cgt s ALA 624 CO 0.45 -2.22 0.54 -0.06 0.00 0.00 0.00 175.76 174.47 1cgt s PHE 625 N -2.80 3.50 0.00 0.00 0.08 -0.02 -4.82 117.98 113.91 1cgt s PHE 625 Ca 0.64 0.40 0.02 0.00 0.12 0.00 0.00 56.93 58.11 1cgt s PHE 625 Cb -0.19 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1cgt s PHE 625 CO 0.57 0.15 0.90 0.27 -0.10 0.00 0.00 175.22 177.01 1cgt n ASN 626 N -1.55 -0.60 0.00 1.36 0.23 -1.26 -1.06 115.26 112.38 1cgt n ASN 626 Ca -0.04 -1.78 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 1cgt n ASN 626 Cb 0.56 0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 1cgt n ASN 626 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cgt n GLN 627 N 0.04 0.00 -0.03 -3.83 6.02 -1.02 -1.19 117.38 117.37 1cgt n GLN 627 Ca -0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.78 1cgt n GLN 627 Cb 0.69 -0.65 -0.01 0.00 1.02 0.00 0.00 30.24 31.29 1cgt n GLN 627 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1cgt n VAL 628 N -2.70 0.51 0.00 5.09 0.31 -1.26 -4.55 118.33 115.74 1cgt n VAL 628 Ca 0.00 0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 64.60 1cgt n VAL 628 Cb 0.44 -1.80 0.03 0.00 -0.91 0.00 0.00 33.84 31.60 1cgt n VAL 628 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1cgt h ILE 629 N -0.35 1.32 -4.00 2.52 1.08 -1.95 -3.44 117.51 112.69 1cgt h ILE 629 Ca 0.00 -1.85 -0.20 0.00 -0.39 0.00 0.00 64.86 62.42 1cgt h ILE 629 Cb 0.32 1.82 -0.19 0.00 -3.07 0.00 0.00 36.82 35.71 1cgt h ILE 629 CO 0.00 0.58 -0.71 -1.00 -0.69 0.00 0.00 178.15 176.33 1cgt s HIS 630 N -3.94 0.56 0.07 1.37 3.76 -1.26 -5.15 115.29 110.70 1cgt s HIS 630 Ca -0.08 -0.71 0.10 0.00 -0.15 0.00 0.00 55.06 54.22 1cgt s HIS 630 Cb 0.11 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 1cgt s HIS 630 CO 0.85 -0.19 -0.27 -0.65 -0.85 0.00 0.00 174.74 173.63 1cgt s GLN 631 N -2.48 1.66 0.15 1.40 1.11 -1.26 -2.43 119.66 117.81 1cgt s GLN 631 Ca -0.04 -1.20 -0.33 0.00 0.01 0.00 0.00 55.36 53.80 1cgt s GLN 631 Cb -0.03 -1.95 -0.16 0.00 -1.01 0.00 0.00 33.01 29.85 1cgt s GLN 631 CO -0.03 0.49 1.09 0.98 0.01 0.00 0.00 175.29 177.83 1cgt n TYR 632 N 1.47 1.02 0.13 0.91 9.36 -0.33 -1.11 117.16 128.62 1cgt n TYR 632 Ca -0.17 0.76 0.02 0.00 3.32 0.00 0.00 57.90 61.83 1cgt n TYR 632 Cb 0.52 -2.22 0.18 0.00 -0.63 0.00 0.00 39.34 37.19 1cgt n TYR 632 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1cgt n PRO 633 N 1.67 2.72 -3.26 2.98 -0.04 -1.26 -5.07 135.00 132.73 1cgt n PRO 633 Ca 0.16 -1.43 -0.39 0.00 -0.04 0.00 0.00 63.50 61.80 1cgt n PRO 633 Cb 0.22 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1cgt n PRO 633 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1cgt s THR 634 N -1.79 4.75 0.23 0.52 2.01 -0.26 -1.02 115.64 120.09 1cgt s THR 634 Ca 0.25 1.23 0.10 0.00 0.31 0.00 0.00 61.69 63.58 1cgt s THR 634 Cb 0.19 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1cgt s THR 634 CO 0.07 0.53 -0.18 0.26 -0.69 0.00 0.00 174.62 174.61 1cgt s TRP 635 N -0.97 2.03 0.14 4.92 0.52 -0.63 -4.05 118.94 120.90 1cgt s TRP 635 Ca 0.29 -0.43 -0.16 0.00 0.02 0.00 0.00 56.10 55.82 1cgt s TRP 635 Cb -0.19 -0.92 0.03 0.00 -1.15 0.00 0.00 33.47 31.24 1cgt s TRP 635 CO 0.19 0.53 0.42 1.52 0.02 0.00 0.00 176.95 179.63 1cgt s TYR 636 N -2.55 -0.16 -0.22 -1.98 1.13 -0.22 -1.20 117.35 112.16 1cgt s TYR 636 Ca 0.25 -0.16 -0.27 0.00 -1.41 0.00 0.00 57.07 55.48 1cgt s TYR 636 Cb -0.04 0.28 0.09 0.00 -1.10 0.00 0.00 41.96 41.19 1cgt s TYR 636 CO 0.11 -0.75 0.83 -0.47 -2.51 0.00 0.00 175.55 172.76 1cgt s TYR 637 N -3.83 -0.62 -0.24 -3.49 5.04 -0.77 -0.84 117.35 112.61 1cgt s TYR 637 Ca 0.05 1.40 -0.11 0.00 -2.44 0.00 0.00 57.07 55.97 1cgt s TYR 637 Cb 0.01 0.35 -0.05 0.00 0.35 0.00 0.00 41.96 42.62 1cgt s TYR 637 CO -0.09 -0.38 0.18 -0.51 -1.34 0.00 0.00 175.55 173.40 1cgt s ASP 638 N -0.15 6.14 -0.03 4.32 1.01 -1.26 -0.96 116.67 125.73 1cgt s ASP 638 Ca -0.01 0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.42 1cgt s ASP 638 Cb -0.03 -2.11 -0.00 0.00 1.01 0.00 0.00 42.92 41.78 1cgt s ASP 638 CO 0.01 0.06 -0.14 -0.69 0.21 0.00 0.00 175.17 174.61 1cgt s VAL 639 N 1.07 1.18 -0.00 -1.27 1.01 0.25 -3.73 120.40 118.91 1cgt s VAL 639 Ca 0.08 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1cgt s VAL 639 Cb -0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1cgt s VAL 639 CO 0.05 0.35 0.95 -0.55 0.00 0.00 0.00 175.10 175.89 1cgt s SER 640 N 0.00 7.34 0.01 3.32 0.15 -1.24 -1.26 113.70 122.02 1cgt s SER 640 Ca -0.02 1.62 -0.09 0.00 0.70 0.00 0.00 55.95 58.16 1cgt s SER 640 Cb -0.09 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 1cgt s SER 640 CO 0.01 -0.23 0.18 0.54 1.20 0.00 0.00 173.24 174.93 1cgt s VAL 641 N 0.93 0.08 0.47 4.45 0.11 -0.51 -4.81 120.40 121.12 1cgt s VAL 641 Ca 0.50 -0.69 -0.24 0.00 -2.93 0.00 0.00 61.98 58.62 1cgt s VAL 641 Cb -0.21 -0.54 -0.07 0.00 -1.53 0.00 0.00 36.38 34.03 1cgt s VAL 641 CO 0.27 -0.38 1.40 -2.16 -3.33 0.00 0.00 175.10 170.90 1cgt s PRO 642 N -1.57 3.59 0.29 1.54 0.04 -1.26 -0.90 135.00 136.73 1cgt s PRO 642 Ca -0.13 2.34 -0.25 0.00 0.04 0.00 0.00 61.00 63.00 1cgt s PRO 642 Cb -0.06 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 1cgt s PRO 642 CO 0.01 -0.87 0.90 0.00 0.04 0.00 0.00 177.00 177.08 1cgt s ALA 643 N -1.24 3.27 -1.33 8.56 0.00 0.75 -4.17 121.76 127.59 1cgt s ALA 643 Ca 0.63 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 1cgt s ALA 643 Cb -0.42 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1cgt s ALA 643 CO 0.53 0.21 0.97 0.41 0.00 0.00 0.00 175.76 177.89 1cgt n GLY 644 N 0.70 -0.42 3.05 0.00 0.00 0.29 -4.89 105.19 103.93 1cgt n GLY 644 Ca 0.01 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1cgt n GLY 644 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cgt s LYS 645 N -6.00 0.70 -0.16 1.61 2.47 -1.25 -4.84 119.74 112.27 1cgt s LYS 645 Ca 0.28 -0.51 -0.26 0.00 -1.56 0.00 0.00 55.97 53.92 1cgt s LYS 645 Cb -0.13 -0.64 -0.01 0.00 -1.46 0.00 0.00 37.83 35.59 1cgt s LYS 645 CO 0.77 0.16 0.86 -1.14 0.16 0.00 0.00 175.35 176.16 1cgt s GLN 646 N -0.74 4.32 0.10 4.03 0.74 -1.26 -0.49 119.66 126.36 1cgt s GLN 646 Ca -0.00 1.08 0.09 0.00 0.05 0.00 0.00 55.36 56.58 1cgt s GLN 646 Cb -0.06 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 1cgt s GLN 646 CO 0.00 -0.33 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.72 1cgt s LEU 647 N 2.13 2.65 -0.02 3.68 1.43 0.31 -4.97 118.68 123.89 1cgt s LEU 647 Ca 0.40 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 1cgt s LEU 647 Cb -0.17 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1cgt s LEU 647 CO 0.13 0.19 -0.23 -1.61 0.23 0.00 0.00 176.35 175.06 1cgt s GLU 648 N -2.00 2.18 0.16 1.70 2.02 -1.26 -1.52 118.70 119.98 1cgt s GLU 648 Ca 0.17 -0.89 -0.19 0.00 0.02 0.00 0.00 54.97 54.08 1cgt s GLU 648 Cb -0.11 -2.12 0.04 0.00 0.10 0.00 0.00 34.13 32.05 1cgt s GLU 648 CO 0.09 0.57 0.51 -0.59 0.02 0.00 0.00 175.26 175.86 1cgt s PHE 649 N -0.66 -0.29 -0.01 1.61 -0.71 -0.45 -1.49 117.98 115.97 1cgt s PHE 649 Ca 0.11 0.00 -0.11 0.00 -1.04 0.00 0.00 56.93 55.89 1cgt s PHE 649 Cb -0.10 0.41 0.01 0.00 -1.21 0.00 0.00 43.02 42.14 1cgt s PHE 649 CO -0.00 -0.83 0.23 0.15 -1.34 0.00 0.00 175.22 173.43 1cgt s LYS 650 N -3.81 0.56 0.45 1.99 1.02 -0.68 -1.33 119.74 117.94 1cgt s LYS 650 Ca 0.04 -0.24 -0.03 0.00 0.02 0.00 0.00 55.97 55.76 1cgt s LYS 650 Cb -0.00 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1cgt s LYS 650 CO -0.09 -0.14 0.72 -0.06 -0.92 0.00 0.00 175.35 174.86 1cgt s PHE 651 N -1.23 3.52 0.04 3.18 0.40 -1.26 -1.39 117.98 121.25 1cgt s PHE 651 Ca -0.13 0.66 -0.12 0.00 -0.60 0.00 0.00 56.93 56.74 1cgt s PHE 651 Cb -0.06 -2.20 0.01 0.00 0.51 0.00 0.00 43.02 41.28 1cgt s PHE 651 CO 0.03 -0.19 0.26 -0.59 0.70 0.00 0.00 175.22 175.43 1cgt s PHE 652 N -2.63 -0.05 -0.08 0.36 -0.12 -0.08 -2.70 117.98 112.68 1cgt s PHE 652 Ca 0.46 -0.10 -0.05 0.00 -0.05 0.00 0.00 56.93 57.19 1cgt s PHE 652 Cb -0.10 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 1cgt s PHE 652 CO 0.42 -0.47 0.12 0.15 -0.05 0.00 0.00 175.22 175.39 1cgt s LYS 653 N -2.46 3.31 -0.07 1.99 1.02 0.27 -0.78 119.74 123.03 1cgt s LYS 653 Ca -0.06 -0.25 -0.03 0.00 0.02 0.00 0.00 55.97 55.65 1cgt s LYS 653 Cb -0.01 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1cgt s LYS 653 CO -0.03 0.73 0.14 0.21 -0.92 0.00 0.00 175.35 175.49 1cgt s LYS 654 N -1.23 0.06 -0.01 1.68 2.20 -0.64 -0.68 119.74 121.11 1cgt s LYS 654 Ca 0.18 0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 56.19 1cgt s LYS 654 Cb -0.12 -0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 35.96 1cgt s LYS 654 CO 0.07 -0.23 -0.06 0.27 -0.36 0.00 0.00 175.35 175.04 1cgt n ASN 655 N 4.68 0.58 0.00 1.43 0.23 -1.11 -0.98 115.26 120.09 1cgt n ASN 655 Ca -0.17 0.09 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 1cgt n ASN 655 Cb 0.51 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1cgt n ASN 655 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cgt n GLY 656 N 2.54 0.33 0.12 4.83 0.00 -1.26 -4.89 105.19 106.87 1cgt n GLY 656 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1cgt n GLY 656 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cgt h SER 657 N 0.00 0.00 -3.29 1.61 4.64 -2.01 -3.46 113.55 111.04 1cgt h SER 657 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1cgt h SER 657 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1cgt h SER 657 CO 0.00 0.33 -0.17 0.28 -0.87 0.00 0.00 176.83 176.40 1cgt s THR 658 N -3.09 5.18 -0.21 2.95 -1.32 -1.26 -5.04 115.64 112.85 1cgt s THR 658 Ca 0.00 0.89 -0.08 0.00 -1.21 0.00 0.00 61.69 61.30 1cgt s THR 658 Cb 0.08 -3.78 -0.04 0.00 -1.51 0.00 0.00 72.50 67.25 1cgt s THR 658 CO 0.78 0.36 0.08 -0.63 -2.21 0.00 0.00 174.62 172.99 1cgt s ILE 659 N 0.43 4.70 -0.17 5.08 -1.09 -1.26 -2.74 121.20 126.14 1cgt s ILE 659 Ca 0.24 -0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.61 1cgt s ILE 659 Cb -0.15 -3.15 0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1cgt s ILE 659 CO 0.10 0.40 -0.14 0.28 -1.23 0.00 0.00 174.94 174.35 1cgt s THR 660 N 0.90 1.66 0.53 2.92 -1.32 0.14 -4.96 115.64 115.51 1cgt s THR 660 Ca 0.04 -0.77 -0.12 0.00 -1.21 0.00 0.00 61.69 59.63 1cgt s THR 660 Cb -0.14 -1.59 -0.06 0.00 -1.51 0.00 0.00 72.50 69.21 1cgt s THR 660 CO 0.03 0.39 0.93 0.26 -2.21 0.00 0.00 174.62 174.03 1cgt s TRP 661 N 1.44 3.54 0.67 9.09 0.52 -1.26 -0.56 118.94 132.38 1cgt s TRP 661 Ca 0.03 1.23 -0.17 0.00 0.02 0.00 0.00 56.10 57.22 1cgt s TRP 661 Cb -0.14 -2.63 0.01 0.00 -1.15 0.00 0.00 33.47 29.56 1cgt s TRP 661 CO -0.10 -0.43 1.22 -1.21 0.02 0.00 0.00 176.95 176.45 1cgt s GLU 662 N -4.55 2.48 0.92 4.98 2.02 -1.10 -4.96 118.70 118.50 1cgt s GLU 662 Ca 0.54 1.83 -0.14 0.00 0.02 0.00 0.00 54.97 57.22 1cgt s GLU 662 Cb -0.10 -1.87 0.16 0.00 0.10 0.00 0.00 34.13 32.42 1cgt s GLU 662 CO 0.42 -1.59 1.24 -1.12 0.02 0.00 0.00 175.26 174.23 1cgt s SER 663 N -1.80 3.48 0.16 -0.19 0.01 -1.26 -4.98 113.70 109.13 1cgt s SER 663 Ca 0.77 0.54 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1cgt s SER 663 Cb -0.31 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.11 1cgt s SER 663 CO 0.41 -2.53 0.00 0.61 0.41 0.00 0.00 173.24 172.14 1cgt n GLY 664 N -3.26 -1.38 3.85 3.44 0.00 -1.26 -4.70 105.19 101.89 1cgt n GLY 664 Ca 0.12 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 1cgt n GLY 664 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cgt s SER 665 N -4.00 6.45 0.53 1.61 0.01 -1.26 -5.03 113.70 112.01 1cgt s SER 665 Ca 0.00 1.51 -0.22 0.00 1.31 0.00 0.00 55.95 58.54 1cgt s SER 665 Cb 0.00 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1cgt s SER 665 CO 0.00 -0.71 1.37 0.59 0.41 0.00 0.00 173.24 174.90 1cgt n ASN 666 N -2.09 2.79 -4.81 2.44 3.02 -1.26 -5.01 115.26 110.34 1cgt n ASN 666 Ca 0.06 1.00 -0.33 0.00 -0.03 0.00 0.00 54.58 55.28 1cgt n ASN 666 Cb 0.54 -1.58 -0.00 0.00 -0.61 0.00 0.00 39.78 38.12 1cgt n ASN 666 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1cgt s HIS 667 N -1.27 3.06 0.05 3.10 3.76 -0.44 -4.86 115.29 118.70 1cgt s HIS 667 Ca 0.70 1.52 0.04 0.00 -0.15 0.00 0.00 55.06 57.17 1cgt s HIS 667 Cb -0.42 -2.98 -0.02 0.00 1.11 0.00 0.00 32.58 30.26 1cgt s HIS 667 CO 0.50 -0.95 -0.12 0.95 -0.85 0.00 0.00 174.74 174.28 1cgt s THR 668 N -2.40 0.92 -0.21 1.30 -4.23 -1.26 -1.34 115.64 108.43 1cgt s THR 668 Ca 0.63 -1.12 -0.19 0.00 -1.18 0.00 0.00 61.69 59.83 1cgt s THR 668 Cb -0.15 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 72.85 1cgt s THR 668 CO 0.33 -0.20 0.55 0.12 -0.54 0.00 0.00 174.62 174.88 1cgt s PHE 669 N -1.15 -0.61 -0.22 3.99 5.36 -0.57 -4.98 117.98 119.79 1cgt s PHE 669 Ca -0.03 1.49 -0.09 0.00 -0.96 0.00 0.00 56.93 57.33 1cgt s PHE 669 Cb -0.09 0.22 -0.05 0.00 -0.34 0.00 0.00 43.02 42.76 1cgt s PHE 669 CO 0.01 -0.30 0.12 0.99 -1.46 0.00 0.00 175.22 174.59 1cgt s THR 670 N 0.35 5.15 0.57 0.12 2.01 -1.26 -0.53 115.64 122.05 1cgt s THR 670 Ca -0.00 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 1cgt s THR 670 Cb -0.04 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 1cgt s THR 670 CO -0.00 0.40 1.02 0.42 -0.69 0.00 0.00 174.62 175.77 1cgt s THR 671 N 0.74 4.26 0.83 -0.82 -4.23 0.35 -4.87 115.64 111.89 1cgt s THR 671 Ca 0.06 0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 61.45 1cgt s THR 671 Cb -0.13 -3.59 0.09 0.00 1.34 0.00 0.00 72.50 70.22 1cgt s THR 671 CO 0.02 -0.70 1.15 -2.16 -0.54 0.00 0.00 174.62 172.38 1cgt s PRO 672 N -4.32 1.64 0.42 3.99 0.04 -1.26 -2.65 135.00 132.85 1cgt s PRO 672 Ca 0.60 1.52 0.20 0.00 0.04 0.00 0.00 61.00 63.36 1cgt s PRO 672 Cb -0.13 -1.80 0.90 0.00 0.04 0.00 0.00 34.50 33.51 1cgt s PRO 672 CO 0.39 -2.17 1.84 0.00 0.04 0.00 0.00 177.00 177.10 1cgt h ALA 673 N -1.24 1.13 -2.94 8.56 0.00 -1.94 0.86 119.26 123.69 1cgt h ALA 673 Ca -0.44 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.21 1cgt h ALA 673 Cb 1.27 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1cgt h ALA 673 CO 0.46 0.37 0.11 -1.54 0.00 0.00 0.00 179.25 178.65 1cgt s SER 674 N -6.43 -0.23 0.39 0.00 1.04 -1.26 -4.66 113.70 102.55 1cgt s SER 674 Ca -0.01 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1cgt s SER 674 Cb 0.12 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1cgt s SER 674 CO 0.66 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1cgt n GLY 675 N -0.42 0.58 3.27 7.32 0.00 -1.26 -4.93 105.19 109.75 1cgt n GLY 675 Ca -0.05 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 1cgt n GLY 675 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cgt s THR 676 N 0.00 0.33 0.15 2.61 -4.23 -1.26 -2.60 115.64 110.64 1cgt s THR 676 Ca 0.00 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 1cgt s THR 676 Cb 0.00 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.32 1cgt s THR 676 CO 0.00 0.00 0.89 0.00 -0.54 0.00 0.00 174.62 174.97 1cgt s ALA 677 N -3.92 -1.62 -0.04 3.99 0.00 -1.09 -4.90 121.76 114.18 1cgt s ALA 677 Ca 0.38 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1cgt s ALA 677 Cb 0.07 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1cgt s ALA 677 CO 0.13 -0.97 -0.10 0.99 0.00 0.00 0.00 175.76 175.81 1cgt s THR 678 N -3.38 0.89 -0.10 0.00 2.01 -1.26 -1.22 115.64 112.58 1cgt s THR 678 Ca 0.10 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1cgt s THR 678 Cb -0.02 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.70 1cgt s THR 678 CO 0.00 0.28 -0.17 0.54 -0.69 0.00 0.00 174.62 174.58 1cgt s VAL 679 N 0.33 1.61 -0.11 3.82 0.11 -0.45 -4.95 120.40 120.77 1cgt s VAL 679 Ca -0.06 -0.73 -0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1cgt s VAL 679 Cb -0.11 -1.45 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1cgt s VAL 679 CO 0.01 0.46 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.26 1cgt s THR 680 N 0.78 3.43 0.24 5.04 2.01 -1.26 -1.01 115.64 124.88 1cgt s THR 680 Ca -0.10 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1cgt s THR 680 Cb -0.16 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1cgt s THR 680 CO 0.01 0.55 0.15 0.68 -0.69 0.00 0.00 174.62 175.32 1cgt s VAL 681 N -0.14 0.13 -0.05 3.82 -7.23 -0.28 -4.97 120.40 111.68 1cgt s VAL 681 Ca 0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1cgt s VAL 681 Cb -0.13 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1cgt s VAL 681 CO 0.03 0.00 -0.10 0.20 -0.31 0.00 0.00 175.10 174.92 1cgt s ASN 682 N -3.24 4.36 0.15 4.85 0.01 -1.26 -1.15 114.94 118.66 1cgt s ASN 682 Ca 0.39 -0.12 -0.33 0.00 -0.71 0.00 0.00 52.86 52.08 1cgt s ASN 682 Cb 0.06 -1.00 -0.12 0.00 0.41 0.00 0.00 41.25 40.59 1cgt s ASN 682 CO 0.15 0.34 1.70 1.87 -1.51 0.00 0.00 177.10 179.65 1cgt n TRP 683 N 2.12 2.51 1.05 2.20 -0.00 -0.67 -4.88 117.44 119.77 1cgt n TRP 683 Ca -0.17 0.09 0.12 0.00 -0.00 0.00 0.00 57.50 57.54 1cgt n TRP 683 Cb 0.53 -2.63 0.14 0.00 -0.00 0.00 0.00 31.31 29.34 1cgt n TRP 683 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73