#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cxl s PRO 2 N 0.00 3.57 0.46 0.00 0.04 -1.26 -4.57 135.00 133.24 1cxl s PRO 2 Ca 0.00 0.69 0.21 0.00 0.04 0.00 0.00 61.00 61.94 1cxl s PRO 2 Cb 0.00 -2.11 1.19 0.00 0.04 0.00 0.00 34.50 33.62 1cxl s PRO 2 CO 0.00 -0.55 1.89 0.38 0.04 0.00 0.00 177.00 178.76 1cxl h ASP 3 N -0.28 0.28 0.27 6.66 2.03 -1.92 -1.46 116.42 122.01 1cxl h ASP 3 Ca -0.44 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1cxl h ASP 3 Cb 1.19 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1cxl h ASP 3 CO 0.62 0.12 -0.01 0.35 -1.03 0.00 0.00 179.24 179.29 1cxl n THR 4 N -4.44 0.00 -1.94 1.15 -2.24 -1.26 -4.81 114.28 100.73 1cxl n THR 4 Ca 0.17 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.56 1cxl n THR 4 Cb 0.70 -0.41 0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1cxl n THR 4 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1cxl s SER 5 N -2.29 5.31 0.61 3.42 0.15 -0.55 -4.89 113.70 115.46 1cxl s SER 5 Ca 0.38 2.54 0.38 0.00 0.70 0.00 0.00 55.95 59.95 1cxl s SER 5 Cb 0.21 -2.62 1.94 0.00 -1.71 0.00 0.00 66.02 63.84 1cxl s SER 5 CO 0.42 -1.52 2.20 1.62 1.20 0.00 0.00 173.24 177.16 1cxl h VAL 6 N 1.22 0.10 0.00 4.45 3.04 -1.90 -1.87 116.25 121.28 1cxl h VAL 6 Ca -0.50 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 1cxl h VAL 6 Cb 1.30 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1cxl h VAL 6 CO 0.56 0.02 0.00 -1.54 -1.01 0.00 0.00 177.57 175.60 1cxl n SER 7 N -3.19 0.00 -4.56 3.17 3.41 -1.26 -4.62 113.62 106.58 1cxl n SER 7 Ca -0.02 0.44 -0.39 0.00 -0.26 0.00 0.00 58.87 58.64 1cxl n SER 7 Cb 0.17 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1cxl n SER 7 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1cxl s ASN 8 N -2.95 6.18 0.00 4.04 3.84 -0.71 -4.81 114.94 120.53 1cxl s ASN 8 Ca 0.12 -0.99 0.29 0.00 0.21 0.00 0.00 52.86 52.49 1cxl s ASN 8 Cb 0.15 -2.56 1.32 0.00 -0.55 0.00 0.00 41.25 39.60 1cxl s ASN 8 CO 0.41 -1.79 1.95 0.29 -2.79 0.00 0.00 177.10 175.16 1cxl n LYS 9 N 9.03 0.26 0.01 0.43 5.02 -1.26 -3.82 118.16 127.83 1cxl n LYS 9 Ca 0.25 -0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.63 1cxl n LYS 9 Cb 0.50 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.03 1cxl n LYS 9 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1cxl n GLN 10 N -1.35 0.15 -3.77 1.97 3.00 -1.26 -0.27 117.38 115.86 1cxl n GLN 10 Ca 0.11 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.88 1cxl n GLN 10 Cb 0.29 -1.54 -0.17 0.00 0.00 0.00 0.00 30.24 28.82 1cxl n GLN 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1cxl s ASN 11 N -3.45 1.10 0.00 1.08 3.84 -1.25 -4.54 114.94 111.72 1cxl s ASN 11 Ca 0.06 -0.00 0.04 0.00 0.21 0.00 0.00 52.86 53.17 1cxl s ASN 11 Cb 0.16 -0.26 0.09 0.00 -0.55 0.00 0.00 41.25 40.69 1cxl s ASN 11 CO 0.81 -0.19 0.93 0.49 -2.79 0.00 0.00 177.10 176.35 1cxl n PHE 12 N 4.96 0.12 0.30 0.43 3.01 -1.26 -4.69 117.46 120.32 1cxl n PHE 12 Ca -0.10 -0.31 0.17 0.00 1.01 0.00 0.00 57.45 58.21 1cxl n PHE 12 Cb 0.50 -0.03 0.92 0.00 -0.01 0.00 0.00 39.48 40.86 1cxl n PHE 12 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1cxl h SER 13 N 0.86 0.00 -0.10 4.37 0.02 -1.83 -0.47 113.55 116.40 1cxl h SER 13 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cxl h SER 13 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1cxl h SER 13 CO 0.00 0.04 0.00 0.35 -1.14 0.00 0.00 176.83 176.08 1cxl n THR 14 N -3.50 0.10 -3.40 -2.27 -2.24 -1.26 -4.47 114.28 97.23 1cxl n THR 14 Ca -0.02 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 1cxl n THR 14 Cb 0.15 0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1cxl n THR 14 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1cxl s ASP 15 N -1.86 5.24 -0.18 3.42 1.01 -0.19 -3.64 116.67 120.48 1cxl s ASP 15 Ca 0.34 -0.64 -0.00 0.00 0.71 0.00 0.00 52.55 52.95 1cxl s ASP 15 Cb 0.20 -0.61 0.04 0.00 1.01 0.00 0.00 42.92 43.57 1cxl s ASP 15 CO 0.31 -0.68 -0.06 -0.69 0.21 0.00 0.00 175.17 174.26 1cxl s VAL 16 N -2.43 1.25 0.08 -1.27 1.01 -1.26 -4.32 120.40 113.46 1cxl s VAL 16 Ca 0.50 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 1cxl s VAL 16 Cb -0.05 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 1cxl s VAL 16 CO 0.29 0.12 0.69 -0.63 0.00 0.00 0.00 175.10 175.58 1cxl s ILE 17 N 1.57 4.66 -0.28 2.22 1.01 0.39 -1.67 121.20 129.10 1cxl s ILE 17 Ca -0.00 1.48 -0.02 0.00 0.00 0.00 0.00 60.65 62.10 1cxl s ILE 17 Cb -0.16 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.31 1cxl s ILE 17 CO -0.08 0.47 -0.02 -0.47 0.00 0.00 0.00 174.94 174.85 1cxl s TYR 18 N -0.67 3.16 -0.49 3.97 5.04 0.41 0.23 117.35 129.00 1cxl s TYR 18 Ca 0.34 -1.62 -0.26 0.00 -2.44 0.00 0.00 57.07 53.09 1cxl s TYR 18 Cb -0.21 -2.11 0.03 0.00 0.35 0.00 0.00 41.96 40.03 1cxl s TYR 18 CO 0.22 -0.74 1.01 -1.14 -1.34 0.00 0.00 175.55 173.55 1cxl s GLN 19 N 1.32 3.54 -0.23 4.97 0.74 0.91 -1.26 119.66 129.65 1cxl s GLN 19 Ca -0.02 0.20 -0.10 0.00 0.05 0.00 0.00 55.36 55.48 1cxl s GLN 19 Cb -0.18 -3.95 -0.05 0.00 1.10 0.00 0.00 33.01 29.93 1cxl s GLN 19 CO -0.02 -1.36 0.15 0.42 -0.55 0.00 0.00 175.29 173.93 1cxl s ILE 20 N 4.09 5.34 -0.79 -2.34 1.01 0.62 -0.65 121.20 128.49 1cxl s ILE 20 Ca 0.39 0.17 -0.20 0.00 0.00 0.00 0.00 60.65 61.02 1cxl s ILE 20 Cb -0.09 -3.47 0.11 0.00 0.01 0.00 0.00 42.46 39.01 1cxl s ILE 20 CO 0.26 0.38 0.99 0.12 0.00 0.00 0.00 174.94 176.70 1cxl s PHE 21 N 0.82 2.99 0.22 3.97 5.36 -1.26 -2.86 117.98 127.23 1cxl s PHE 21 Ca 0.07 -1.09 -0.11 0.00 -0.96 0.00 0.00 56.93 54.84 1cxl s PHE 21 Cb -0.13 -4.22 0.31 0.00 -0.34 0.00 0.00 43.02 38.64 1cxl s PHE 21 CO 0.02 -1.48 1.35 2.41 -1.46 0.00 0.00 175.22 176.06 1cxl n THR 22 N 5.56 -0.41 0.28 0.12 -1.04 -1.26 -0.39 114.28 117.14 1cxl n THR 22 Ca 0.10 2.01 0.14 0.00 -2.04 0.00 0.00 64.05 64.26 1cxl n THR 22 Cb 0.47 -2.72 0.80 0.00 -1.82 0.00 0.00 70.33 67.05 1cxl n THR 22 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1cxl h ASP 23 N 0.00 0.00 -0.36 8.00 3.58 -1.79 -3.02 116.42 122.82 1cxl h ASP 23 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1cxl h ASP 23 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1cxl h ASP 23 CO -0.88 0.08 0.00 0.54 -2.88 0.00 0.00 179.24 176.10 1cxl n ARG 24 N -3.65 2.34 0.00 0.28 5.12 0.48 -0.85 116.66 120.38 1cxl n ARG 24 Ca -0.02 -2.14 0.00 0.00 -1.93 0.00 0.00 57.85 53.76 1cxl n ARG 24 Cb 0.19 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1cxl n ARG 24 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1cxl n PHE 25 N 1.23 0.00 -3.67 -1.55 7.35 -1.07 -1.88 117.46 117.87 1cxl n PHE 25 Ca 0.17 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.77 1cxl n PHE 25 Cb 0.54 -0.12 -0.10 0.00 0.35 0.00 0.00 39.48 40.15 1cxl n PHE 25 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1cxl s SER 26 N -3.58 -0.46 -0.84 -2.13 0.15 -1.26 -4.65 113.70 100.94 1cxl s SER 26 Ca 0.00 1.02 -0.21 0.00 0.70 0.00 0.00 55.95 57.47 1cxl s SER 26 Cb 0.00 1.17 0.10 0.00 -1.71 0.00 0.00 66.02 65.58 1cxl s SER 26 CO 0.00 -0.22 1.10 -0.62 1.20 0.00 0.00 173.24 174.71 1cxl s ASP 27 N 2.08 6.44 0.04 5.45 2.15 -1.26 -1.10 116.67 130.47 1cxl s ASP 27 Ca -0.06 -1.57 0.26 0.00 0.43 0.00 0.00 52.55 51.62 1cxl s ASP 27 Cb -0.10 -2.43 0.67 0.00 -0.30 0.00 0.00 42.92 40.76 1cxl s ASP 27 CO -0.14 -1.26 1.54 0.61 -0.17 0.00 0.00 175.17 175.75 1cxl n GLY 28 N 5.59 -1.38 2.61 2.66 0.00 -1.26 -4.61 105.19 108.80 1cxl n GLY 28 Ca 0.14 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1cxl n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cxl s ASN 29 N -3.37 2.36 0.47 1.61 2.47 -1.26 -4.73 114.94 112.49 1cxl s ASN 29 Ca 0.11 -1.57 0.32 0.00 0.42 0.00 0.00 52.86 52.14 1cxl s ASN 29 Cb 0.17 0.04 1.50 0.00 -1.45 0.00 0.00 41.25 41.50 1cxl s ASN 29 CO 0.66 -0.34 1.96 -0.65 -3.72 0.00 0.00 177.10 175.01 1cxl h PRO 30 N 7.55 0.00 0.00 0.43 0.11 -1.90 -2.72 132.00 135.47 1cxl h PRO 30 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1cxl h PRO 30 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1cxl h PRO 30 CO 0.30 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.04 1cxl h ALA 31 N 2.07 1.05 -0.58 -0.75 0.00 -1.98 -2.39 119.26 116.67 1cxl h ALA 31 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cxl h ALA 31 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cxl h ALA 31 CO 0.00 0.05 0.00 0.27 0.00 0.00 0.00 179.25 179.57 1cxl n ASN 32 N -3.21 3.67 -4.77 0.00 0.23 -1.02 -4.97 115.26 105.19 1cxl n ASN 32 Ca -0.01 -1.99 -0.41 0.00 -0.53 0.00 0.00 54.58 51.64 1cxl n ASN 32 Cb 0.25 -0.38 -0.02 0.00 -2.08 0.00 0.00 39.78 37.55 1cxl n ASN 32 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1cxl s ASN 33 N -1.21 6.72 1.15 0.53 0.01 -0.90 -4.30 114.94 116.93 1cxl s ASN 33 Ca 0.44 2.71 -0.15 0.00 -0.71 0.00 0.00 52.86 55.16 1cxl s ASN 33 Cb 0.24 -2.65 0.27 0.00 0.41 0.00 0.00 41.25 39.52 1cxl s ASN 33 CO 0.32 -0.59 1.05 -2.84 -1.51 0.00 0.00 177.10 173.53 1cxl s PRO 34 N -1.56 -0.82 0.31 -0.60 0.02 -1.26 -5.03 135.00 126.06 1cxl s PRO 34 Ca 0.51 0.51 0.03 0.00 0.02 0.00 0.00 61.00 62.07 1cxl s PRO 34 Cb -0.41 -1.59 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1cxl s PRO 34 CO 0.52 -3.57 0.11 0.95 -0.33 0.00 0.00 177.00 174.68 1cxl s THR 35 N -2.68 0.66 0.00 0.99 -4.23 -1.26 -4.68 115.64 104.44 1cxl s THR 35 Ca 0.68 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1cxl s THR 35 Cb -0.20 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1cxl s THR 35 CO 0.61 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 1cxl n GLY 36 N -0.62 3.23 0.11 3.99 0.00 -1.26 -2.43 105.19 108.21 1cxl n GLY 36 Ca -0.01 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1cxl n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxl n ALA 37 N 10.28 1.11 1.19 4.61 0.00 -1.26 -1.49 120.51 134.96 1cxl n ALA 37 Ca 0.00 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1cxl n ALA 37 Cb 0.00 -1.24 0.26 0.00 0.00 0.00 0.00 19.45 18.47 1cxl n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cxl n ALA 38 N -1.69 2.69 -2.61 0.00 0.00 -1.02 -4.95 120.51 112.93 1cxl n ALA 38 Ca -0.01 -0.57 -0.19 0.00 0.00 0.00 0.00 53.44 52.66 1cxl n ALA 38 Cb 0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 1cxl n ALA 38 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1cxl s PHE 39 N -2.10 1.40 -0.39 0.00 5.36 -0.56 -1.19 117.98 120.50 1cxl s PHE 39 Ca 0.30 -0.48 0.05 0.00 -0.96 0.00 0.00 56.93 55.84 1cxl s PHE 39 Cb 0.20 -0.76 0.16 0.00 -0.34 0.00 0.00 43.02 42.28 1cxl s PHE 39 CO 0.36 0.12 0.45 0.34 -1.46 0.00 0.00 175.22 175.03 1cxl s ASP 40 N -1.99 0.42 0.60 6.13 2.15 -0.17 -4.78 116.67 119.03 1cxl s ASP 40 Ca 0.03 -1.49 0.29 0.00 0.43 0.00 0.00 52.55 51.81 1cxl s ASP 40 Cb -0.08 0.90 1.56 0.00 -0.30 0.00 0.00 42.92 45.00 1cxl s ASP 40 CO 0.03 -0.22 1.98 1.23 -0.17 0.00 0.00 175.17 178.02 1cxl h GLY 41 N 6.85 0.00 1.66 2.66 0.00 -1.79 0.38 103.07 112.83 1cxl h GLY 41 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1cxl h GLY 41 CO 0.17 0.00 -0.19 -1.30 0.00 0.00 0.00 176.54 175.22 1cxl n THR 42 N -3.67 0.14 -3.72 4.70 -2.24 -1.26 -4.93 114.28 103.30 1cxl n THR 42 Ca 0.05 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.48 1cxl n THR 42 Cb 0.51 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1cxl n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cxl h THR 44 N -2.39 0.78 -2.56 0.00 2.02 -1.92 -3.42 112.91 105.43 1cxl h THR 44 Ca -0.57 -2.41 -0.66 0.00 0.77 0.00 0.00 66.41 63.54 1cxl h THR 44 Cb 1.37 2.62 -0.16 0.00 -1.74 0.00 0.00 68.15 70.23 1cxl h THR 44 CO 0.61 0.86 0.63 0.21 0.37 0.00 0.00 175.52 178.20 1cxl s ASN 45 N -7.14 6.38 0.00 4.18 3.84 -1.26 -4.90 114.94 116.03 1cxl s ASN 45 Ca -0.20 -1.50 0.05 0.00 0.21 0.00 0.00 52.86 51.42 1cxl s ASN 45 Cb 0.06 -2.40 0.31 0.00 -0.55 0.00 0.00 41.25 38.67 1cxl s ASN 45 CO 0.80 -1.24 0.83 0.18 -2.79 0.00 0.00 177.10 174.87 1cxl n LEU 46 N 7.07 0.00 -0.54 3.21 4.77 -1.26 -2.21 117.00 128.04 1cxl n LEU 46 Ca 0.08 0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1cxl n LEU 46 Cb 0.47 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1cxl n LEU 46 CO 0.58 -0.04 0.40 0.54 -1.33 0.00 0.00 177.39 177.53 1cxl n ARG 47 N -1.05 1.53 -3.51 3.23 1.74 -1.26 -4.88 116.66 112.45 1cxl n ARG 47 Ca 0.04 -1.18 -0.20 0.00 -0.77 0.00 0.00 57.85 55.73 1cxl n ARG 47 Cb 0.02 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1cxl n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cxl s LEU 48 N -1.73 3.46 0.30 0.55 1.43 -0.94 -1.71 118.68 120.04 1cxl s LEU 48 Ca 0.17 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 1cxl s LEU 48 Cb 0.14 -2.17 -0.10 0.00 0.03 0.00 0.00 46.19 44.09 1cxl s LEU 48 CO 0.31 -0.63 1.14 -0.31 0.23 0.00 0.00 176.35 177.09 1cxl s TYR 49 N -2.43 3.44 -0.24 0.29 1.51 -0.33 -4.82 117.35 114.77 1cxl s TYR 49 Ca 0.48 1.64 0.16 0.00 -1.01 0.00 0.00 57.07 58.34 1cxl s TYR 49 Cb -0.05 -3.36 -0.23 0.00 -0.11 0.00 0.00 41.96 38.22 1cxl s TYR 49 CO 0.28 -0.83 0.45 0.00 -1.11 0.00 0.00 175.55 174.34 1cxl n GLY 51 N 1.52 0.95 3.72 0.00 0.00 -1.25 -4.51 105.19 105.61 1cxl n GLY 51 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1cxl n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxl n GLY 52 N -0.77 0.95 2.61 -0.02 0.00 -0.02 -4.23 105.19 103.70 1cxl n GLY 52 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 1cxl n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cxl n ASP 53 N 1.40 -1.07 -0.15 1.61 5.68 -0.26 -3.60 116.55 120.16 1cxl n ASP 53 Ca 0.07 -2.45 -0.03 0.00 -0.50 0.00 0.00 54.79 51.88 1cxl n ASP 53 Cb 0.36 1.99 0.19 0.00 -1.14 0.00 0.00 41.12 42.52 1cxl n ASP 53 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1cxl h TRP 54 N 1.78 0.88 -0.50 2.11 6.55 -1.45 -1.62 115.95 123.70 1cxl h TRP 54 Ca -0.21 -0.07 -0.00 0.00 0.95 0.00 0.00 58.89 59.56 1cxl h TRP 54 Cb 0.92 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.93 1cxl h TRP 54 CO 0.00 0.71 0.29 0.37 -1.05 0.00 0.00 178.44 178.77 1cxl h GLN 55 N 0.84 0.68 -0.40 0.49 5.75 -1.88 -0.07 115.11 120.52 1cxl h GLN 55 Ca 0.19 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 1cxl h GLN 55 Cb 0.24 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1cxl h GLN 55 CO -0.01 0.48 0.15 0.78 -2.65 0.00 0.00 178.83 177.58 1cxl h GLY 56 N 0.74 0.64 0.99 2.39 0.00 -1.38 -0.42 103.07 106.04 1cxl h GLY 56 Ca 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1cxl h GLY 56 CO -0.03 0.34 0.31 -2.22 0.00 0.00 0.00 176.54 174.94 1cxl h ILE 57 N 0.49 1.18 -0.75 2.60 2.04 -0.87 -1.20 117.51 121.01 1cxl h ILE 57 Ca 0.13 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.59 1cxl h ILE 57 Cb 0.21 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1cxl h ILE 57 CO -0.01 0.20 0.43 0.40 0.00 0.00 0.00 178.15 179.17 1cxl h ILE 58 N 0.76 0.97 -0.64 -0.67 2.04 -0.73 0.46 117.51 119.70 1cxl h ILE 58 Ca 0.20 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1cxl h ILE 58 Cb 0.04 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 1cxl h ILE 58 CO -0.03 0.14 0.32 0.78 0.00 0.00 0.00 178.15 179.36 1cxl h ASN 59 N 0.77 0.83 0.84 1.72 2.35 -0.21 -0.70 115.58 121.19 1cxl h ASN 59 Ca 0.34 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1cxl h ASN 59 Cb 0.22 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1cxl h ASN 59 CO -0.20 0.72 -0.18 0.11 -1.65 0.00 0.00 177.43 176.23 1cxl h LYS 60 N 0.88 0.00 0.02 0.81 1.79 -0.49 0.11 116.57 119.69 1cxl h LYS 60 Ca 0.22 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.46 1cxl h LYS 60 Cb 0.10 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1cxl h LYS 60 CO -0.03 0.18 -0.92 0.82 -1.08 0.00 0.00 179.45 178.42 1cxl h ILE 61 N 0.00 1.33 0.00 1.86 2.04 -0.43 -3.02 117.51 119.29 1cxl h ILE 61 Ca -0.00 -2.22 -0.15 0.00 1.00 0.00 0.00 64.86 63.48 1cxl h ILE 61 Cb 0.65 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 1cxl h ILE 61 CO 0.02 0.67 -0.72 0.78 0.00 0.00 0.00 178.15 178.91 1cxl h ASN 62 N 0.21 0.00 -0.21 1.72 2.35 -0.71 -3.27 115.58 115.67 1cxl h ASN 62 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1cxl h ASN 62 Cb 1.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.97 1cxl h ASN 62 CO 0.18 0.72 0.00 -0.90 -1.65 0.00 0.00 177.43 175.78 1cxl n ASP 63 N -3.63 1.60 0.00 5.81 5.68 0.35 -4.94 116.55 121.42 1cxl n ASP 63 Ca -0.01 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1cxl n ASP 63 Cb 0.72 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1cxl n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cxl n GLY 64 N 1.07 1.20 0.26 6.12 0.00 -1.23 -4.96 105.19 107.66 1cxl n GLY 64 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1cxl n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1cxl h TYR 65 N 0.00 -0.61 -0.01 1.61 3.20 -1.82 0.25 116.97 119.59 1cxl h TYR 65 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1cxl h TYR 65 Cb 0.00 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1cxl h TYR 65 CO 0.00 -0.32 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.09 1cxl h LEU 66 N -0.37 0.06 -1.18 2.82 3.38 -1.88 -3.21 115.31 114.93 1cxl h LEU 66 Ca 0.06 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1cxl h LEU 66 Cb 0.44 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1cxl h LEU 66 CO -0.20 0.69 0.49 0.71 0.09 0.00 0.00 178.44 180.22 1cxl h THR 67 N -0.57 1.21 0.00 0.22 1.35 -1.79 -1.48 112.91 111.85 1cxl h THR 67 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1cxl h THR 67 Cb 0.68 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1cxl h THR 67 CO 0.01 0.21 0.00 1.23 -0.25 0.00 0.00 175.52 176.72 1cxl h GLY 68 N 1.08 0.00 0.89 5.82 0.00 -0.57 -1.86 103.07 108.43 1cxl h GLY 68 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1cxl h GLY 68 CO -0.06 0.00 -0.75 -0.13 0.00 0.00 0.00 176.54 175.60 1cxl n MET 69 N -3.08 0.21 -0.48 4.80 0.00 -0.59 -4.76 117.12 113.22 1cxl n MET 69 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.72 1cxl n MET 69 Cb 0.21 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 31.83 1cxl n MET 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1cxl n GLY 70 N 1.39 0.76 3.74 -5.12 0.00 -0.70 -2.85 105.19 102.41 1cxl n GLY 70 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1cxl n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cxl s VAL 71 N -2.17 3.09 0.00 1.61 1.01 -1.02 -4.58 120.40 118.34 1cxl s VAL 71 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1cxl s VAL 71 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1cxl s VAL 71 CO 0.00 0.13 0.69 0.35 0.00 0.00 0.00 175.10 176.26 1cxl n THR 72 N 2.71 0.46 -3.57 3.92 -2.24 -0.67 -4.53 114.28 110.36 1cxl n THR 72 Ca 0.07 -0.62 -0.17 0.00 -2.27 0.00 0.00 64.05 61.07 1cxl n THR 72 Cb 0.42 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.44 1cxl n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cxl s ALA 73 N -0.46 -1.69 0.02 6.98 0.00 -0.99 -1.01 121.76 124.61 1cxl s ALA 73 Ca 0.00 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.46 1cxl s ALA 73 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1cxl s ALA 73 CO 0.00 -0.35 -0.19 0.96 0.00 0.00 0.00 175.76 176.18 1cxl s ILE 74 N -0.75 1.50 -0.29 0.00 -4.36 0.13 -0.45 121.20 116.98 1cxl s ILE 74 Ca -0.08 -0.98 -0.00 0.00 -0.26 0.00 0.00 60.65 59.33 1cxl s ILE 74 Cb -0.02 -1.28 0.05 0.00 1.25 0.00 0.00 42.46 42.46 1cxl s ILE 74 CO 0.07 0.28 -0.03 0.86 0.24 0.00 0.00 174.94 176.36 1cxl s TRP 75 N -0.63 3.28 0.26 1.37 -0.00 -0.39 -0.25 118.94 122.58 1cxl s TRP 75 Ca 0.07 -2.04 0.06 0.00 -0.00 0.00 0.00 56.10 54.18 1cxl s TRP 75 Cb -0.08 -2.09 -0.03 0.00 -0.00 0.00 0.00 33.47 31.27 1cxl s TRP 75 CO 0.01 -0.83 0.32 0.96 -0.00 0.00 0.00 176.95 177.40 1cxl s ILE 76 N 1.20 4.79 0.68 5.86 -4.36 -0.29 -0.27 121.20 128.80 1cxl s ILE 76 Ca -0.06 -1.13 -0.17 0.00 -0.26 0.00 0.00 60.65 59.03 1cxl s ILE 76 Cb -0.20 -3.64 -0.03 0.00 1.25 0.00 0.00 42.46 39.84 1cxl s ILE 76 CO -0.02 -0.31 0.76 -1.20 0.24 0.00 0.00 174.94 174.41 1cxl n SER 77 N -1.37 -0.22 -4.66 4.36 7.64 -1.14 -1.86 113.62 116.39 1cxl n SER 77 Ca -0.07 0.68 -0.52 0.00 1.01 0.00 0.00 58.87 59.96 1cxl n SER 77 Cb 0.58 -1.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.41 1cxl n SER 77 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1cxl n GLN 78 N -1.07 1.45 0.04 1.43 7.27 -1.26 -4.33 117.38 120.91 1cxl n GLN 78 Ca 0.12 0.53 0.13 0.00 0.07 0.00 0.00 57.00 57.85 1cxl n GLN 78 Cb 0.49 -2.23 0.44 0.00 2.41 0.00 0.00 30.24 31.34 1cxl n GLN 78 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1cxl n PRO 79 N 4.20 0.12 -1.68 3.69 -0.04 -1.26 -4.78 135.00 135.25 1cxl n PRO 79 Ca 0.21 0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 1cxl n PRO 79 Cb 0.20 -1.62 0.05 0.00 -0.04 0.00 0.00 33.50 32.10 1cxl n PRO 79 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cxl s VAL 80 N -3.05 3.27 0.15 0.52 -7.23 -1.26 -1.19 120.40 111.61 1cxl s VAL 80 Ca 0.11 0.56 -0.32 0.00 -1.81 0.00 0.00 61.98 60.52 1cxl s VAL 80 Cb 0.16 -3.08 -0.12 0.00 0.56 0.00 0.00 36.38 33.91 1cxl s VAL 80 CO 0.60 -0.40 1.77 1.21 -0.31 0.00 0.00 175.10 177.98 1cxl n GLU 81 N -2.60 2.69 -3.58 4.82 2.13 -0.14 -3.88 120.64 120.09 1cxl n GLU 81 Ca 0.10 0.98 -0.21 0.00 0.66 0.00 0.00 57.16 58.69 1cxl n GLU 81 Cb 0.52 -2.84 -0.03 0.00 0.27 0.00 0.00 31.44 29.36 1cxl n GLU 81 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1cxl s ASN 82 N 2.03 5.18 0.65 4.31 0.02 -1.26 -0.34 114.94 125.52 1cxl s ASN 82 Ca 0.80 -0.64 -0.17 0.00 -1.02 0.00 0.00 52.86 51.82 1cxl s ASN 82 Cb -0.52 -0.69 -0.01 0.00 0.02 0.00 0.00 41.25 40.05 1cxl s ASN 82 CO 0.36 -0.58 1.23 0.27 0.02 0.00 0.00 177.10 178.40 1cxl s ILE 83 N -2.41 2.40 -1.65 0.60 -4.36 -0.66 -4.68 121.20 110.44 1cxl s ILE 83 Ca 0.47 0.23 0.23 0.00 -0.26 0.00 0.00 60.65 61.33 1cxl s ILE 83 Cb -0.05 -3.00 0.01 0.00 1.25 0.00 0.00 42.46 40.67 1cxl s ILE 83 CO 0.28 -0.07 1.19 -1.22 0.24 0.00 0.00 174.94 175.36 1cxl n TYR 84 N -2.00 0.00 -2.13 1.37 4.01 -1.26 -4.58 117.16 112.56 1cxl n TYR 84 Ca 0.14 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.51 1cxl n TYR 84 Cb 0.49 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.48 1cxl n TYR 84 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1cxl s SER 85 N -2.65 5.73 -0.48 7.72 1.04 -1.26 -4.99 113.70 118.81 1cxl s SER 85 Ca 0.17 2.37 -0.14 0.00 0.48 0.00 0.00 55.95 58.83 1cxl s SER 85 Cb 0.18 -2.60 0.09 0.00 0.10 0.00 0.00 66.02 63.79 1cxl s SER 85 CO 0.64 -1.23 0.39 -0.63 0.98 0.00 0.00 173.24 173.39 1cxl s ILE 86 N -1.56 4.96 -0.01 -1.02 1.01 -1.26 -4.57 121.20 118.75 1cxl s ILE 86 Ca 0.70 -1.29 -0.26 0.00 0.00 0.00 0.00 60.65 59.80 1cxl s ILE 86 Cb -0.30 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1cxl s ILE 86 CO 0.35 -0.65 0.79 -0.63 0.00 0.00 0.00 174.94 174.79 1cxl s ILE 87 N 1.57 4.89 -0.41 2.92 1.01 0.71 -4.79 121.20 127.09 1cxl s ILE 87 Ca 0.04 1.66 -0.16 0.00 0.00 0.00 0.00 60.65 62.18 1cxl s ILE 87 Cb -0.26 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1cxl s ILE 87 CO 0.04 0.27 0.39 0.21 0.00 0.00 0.00 174.94 175.86 1cxl s ASN 88 N 0.54 6.17 -0.40 3.58 3.84 -1.26 0.37 114.94 127.78 1cxl s ASN 88 Ca 0.41 -0.69 -0.07 0.00 0.21 0.00 0.00 52.86 52.72 1cxl s ASN 88 Cb -0.19 -2.20 0.08 0.00 -0.55 0.00 0.00 41.25 38.38 1cxl s ASN 88 CO 0.22 -0.52 0.21 -0.31 -2.79 0.00 0.00 177.10 173.91 1cxl s TYR 89 N 2.01 3.37 -1.24 0.43 2.02 0.11 -4.66 117.35 119.39 1cxl s TYR 89 Ca 0.10 -1.73 -0.08 0.00 -0.37 0.00 0.00 57.07 54.99 1cxl s TYR 89 Cb -0.17 -2.86 -0.01 0.00 -0.40 0.00 0.00 41.96 38.52 1cxl s TYR 89 CO 0.13 -0.86 0.70 0.43 -1.57 0.00 0.00 175.55 174.38 1cxl n SER 90 N 4.81 -3.07 -0.01 2.29 7.64 -1.26 -1.49 113.62 122.52 1cxl n SER 90 Ca -0.09 -0.92 -0.00 0.00 1.01 0.00 0.00 58.87 58.87 1cxl n SER 90 Cb 0.43 -3.72 -0.00 0.00 -1.01 0.00 0.00 64.21 59.90 1cxl n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cxl n GLY 91 N -1.66 0.35 3.18 0.23 0.00 -1.26 -5.01 105.19 101.03 1cxl n GLY 91 Ca -0.20 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1cxl n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cxl s VAL 92 N -1.69 2.01 0.13 1.61 1.01 -0.56 -5.10 120.40 117.80 1cxl s VAL 92 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 1cxl s VAL 92 Cb 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 1cxl s VAL 92 CO 0.00 0.54 1.12 0.20 0.00 0.00 0.00 175.10 176.96 1cxl s ASN 93 N 0.61 7.22 0.01 3.32 0.01 -1.26 0.05 114.94 124.89 1cxl s ASN 93 Ca -0.12 2.03 0.04 0.00 -0.71 0.00 0.00 52.86 54.10 1cxl s ASN 93 Cb -0.17 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.89 1cxl s ASN 93 CO 0.03 -0.30 -0.13 0.20 -1.51 0.00 0.00 177.10 175.39 1cxl s ASN 94 N 0.35 1.55 0.42 -1.22 0.01 0.16 -4.67 114.94 111.54 1cxl s ASN 94 Ca 0.52 -0.31 0.03 0.00 -0.71 0.00 0.00 52.86 52.40 1cxl s ASN 94 Cb -0.29 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.20 1cxl s ASN 94 CO 0.32 0.11 0.07 0.42 -1.51 0.00 0.00 177.10 176.52 1cxl s THR 95 N -0.49 0.96 -0.35 1.60 -4.23 -0.70 -0.21 115.64 112.23 1cxl s THR 95 Ca 0.04 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1cxl s THR 95 Cb -0.06 -2.42 0.44 0.00 1.34 0.00 0.00 72.50 71.79 1cxl s THR 95 CO 0.00 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 175.56 1cxl n ALA 96 N -0.97 4.12 -0.09 3.99 0.00 -1.26 -4.54 120.51 121.76 1cxl n ALA 96 Ca -0.09 -1.61 0.25 0.00 0.00 0.00 0.00 53.44 51.99 1cxl n ALA 96 Cb 0.66 -1.22 0.72 0.00 0.00 0.00 0.00 19.45 19.60 1cxl n ALA 96 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1cxl h TYR 97 N 1.12 0.00 0.00 0.00 -0.00 -1.89 0.87 116.97 117.07 1cxl h TYR 97 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.01 1cxl h TYR 97 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.68 1cxl h TYR 97 CO 0.90 0.00 0.00 1.12 -0.00 0.00 0.00 178.16 180.18 1cxl h HIS 98 N 0.00 0.00 0.00 0.10 2.07 -1.96 -3.41 115.15 111.96 1cxl h HIS 98 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 1cxl h HIS 98 Cb 1.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.40 1cxl h HIS 98 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 1cxl n GLY 99 N 0.21 0.78 0.55 6.13 0.00 0.30 -4.52 105.19 108.64 1cxl n GLY 99 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1cxl n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cxl n TYR 100 N -2.41 0.20 -3.46 1.61 4.01 -1.26 -4.45 117.16 111.41 1cxl n TYR 100 Ca 0.00 -0.10 -0.34 0.00 -0.16 0.00 0.00 57.90 57.30 1cxl n TYR 100 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1cxl n TYR 100 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1cxl n TRP 101 N 0.32 3.55 -2.20 -0.72 8.01 -1.26 -4.85 117.44 120.29 1cxl n TRP 101 Ca 0.16 -3.84 -0.37 0.00 -1.31 0.00 0.00 57.50 52.15 1cxl n TRP 101 Cb 0.33 -0.93 0.00 0.00 -2.01 0.00 0.00 31.31 28.71 1cxl n TRP 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1cxl s ALA 102 N -2.06 2.86 0.00 6.99 0.00 -0.73 -1.65 121.76 127.16 1cxl s ALA 102 Ca 0.32 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1cxl s ALA 102 Cb 0.03 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1cxl s ALA 102 CO -0.04 -0.78 0.00 2.89 0.00 0.00 0.00 175.76 177.82 1cxl n ARG 103 N -0.82 2.62 -3.36 0.00 1.85 0.53 -3.85 116.66 113.63 1cxl n ARG 103 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.83 1cxl n ARG 103 Cb 0.49 -0.85 -0.08 0.00 -1.05 0.00 0.00 32.46 30.96 1cxl n ARG 103 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1cxl s ASP 104 N -2.22 0.64 0.00 2.89 -1.08 -1.01 -0.16 116.67 115.72 1cxl s ASP 104 Ca 0.00 -0.13 0.18 0.00 -0.52 0.00 0.00 52.55 52.08 1cxl s ASP 104 Cb 0.00 0.93 0.93 0.00 -1.46 0.00 0.00 42.92 43.33 1cxl s ASP 104 CO 0.00 -0.33 1.52 0.49 0.52 0.00 0.00 175.17 177.37 1cxl n PHE 105 N 5.35 0.00 0.67 -5.34 3.01 -1.26 -2.60 117.46 117.29 1cxl n PHE 105 Ca -0.03 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.53 1cxl n PHE 105 Cb 0.49 -0.22 0.10 0.00 -0.01 0.00 0.00 39.48 39.84 1cxl n PHE 105 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1cxl n LYS 106 N -1.22 1.73 -4.44 -1.08 5.02 -1.26 -4.87 118.16 112.03 1cxl n LYS 106 Ca 0.09 -1.70 -0.22 0.00 -2.02 0.00 0.00 58.31 54.46 1cxl n LYS 106 Cb 0.12 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 1cxl n LYS 106 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cxl s LYS 107 N -1.51 1.59 0.53 1.97 1.02 -1.14 -4.85 119.74 117.35 1cxl s LYS 107 Ca 0.24 -1.81 -0.01 0.00 0.02 0.00 0.00 55.97 54.40 1cxl s LYS 107 Cb 0.16 -1.18 0.02 0.00 -0.52 0.00 0.00 37.83 36.31 1cxl s LYS 107 CO 0.24 0.02 0.78 0.95 -0.92 0.00 0.00 175.35 176.42 1cxl s THR 108 N -3.00 3.41 -0.49 2.17 -4.23 -1.26 -0.96 115.64 111.27 1cxl s THR 108 Ca 0.30 -0.41 -0.23 0.00 -1.18 0.00 0.00 61.69 60.17 1cxl s THR 108 Cb 0.04 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.62 1cxl s THR 108 CO 0.13 -0.24 0.81 0.21 -0.54 0.00 0.00 174.62 174.98 1cxl s ASN 109 N -4.32 6.36 0.59 3.99 3.84 -0.33 -3.46 114.94 121.60 1cxl s ASN 109 Ca 0.53 -0.31 0.29 0.00 0.21 0.00 0.00 52.86 53.58 1cxl s ASN 109 Cb -0.10 -2.38 1.49 0.00 -0.55 0.00 0.00 41.25 39.70 1cxl s ASN 109 CO 0.40 -1.00 1.91 1.55 -2.79 0.00 0.00 177.10 177.16 1cxl h PRO 110 N 9.08 0.00 -0.19 0.43 0.13 -1.91 0.19 132.00 139.72 1cxl h PRO 110 Ca -0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.78 1cxl h PRO 110 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1cxl h PRO 110 CO 1.00 0.00 -0.29 0.00 -0.23 0.00 0.00 178.00 178.47 1cxl h ALA 111 N 1.47 1.15 0.19 -0.56 0.00 -1.92 -3.04 119.26 116.55 1cxl h ALA 111 Ca 0.20 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 1cxl h ALA 111 Cb 1.13 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.85 1cxl h ALA 111 CO -0.00 0.54 -1.23 1.88 0.00 0.00 0.00 179.25 180.45 1cxl h TYR 112 N 0.32 0.87 0.00 0.00 0.05 -0.95 -3.43 116.97 113.83 1cxl h TYR 112 Ca 0.04 -0.61 0.00 0.00 0.05 0.00 0.00 58.73 58.22 1cxl h TYR 112 Cb 0.69 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1cxl h TYR 112 CO 0.02 1.47 0.00 0.41 -1.05 0.00 0.00 178.16 179.00 1cxl n GLY 113 N 1.61 -1.79 4.00 3.88 0.00 -0.60 -1.20 105.19 111.09 1cxl n GLY 113 Ca -0.15 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.24 1cxl n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cxl s THR 114 N -2.15 2.29 0.26 2.61 -4.23 -1.26 -3.94 115.64 109.22 1cxl s THR 114 Ca 0.00 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1cxl s THR 114 Cb 0.00 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.55 1cxl s THR 114 CO 0.00 0.00 1.94 0.40 -0.54 0.00 0.00 174.62 176.42 1cxl h ILE 115 N -0.18 1.23 -0.71 2.99 1.08 -1.98 -0.95 117.51 119.00 1cxl h ILE 115 Ca -0.36 -0.44 0.01 0.00 -0.39 0.00 0.00 64.86 63.68 1cxl h ILE 115 Cb 1.28 -0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 1cxl h ILE 115 CO 0.43 0.24 0.46 0.00 -0.69 0.00 0.00 178.15 178.59 1cxl h ALA 116 N 1.40 0.90 -0.71 1.87 0.00 -1.99 -0.88 119.26 119.85 1cxl h ALA 116 Ca 0.36 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1cxl h ALA 116 Cb -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 1cxl h ALA 116 CO -0.08 0.29 0.46 -0.44 0.00 0.00 0.00 179.25 179.48 1cxl h ASP 117 N 0.93 0.77 -0.69 0.00 3.32 -1.65 -1.04 116.42 118.06 1cxl h ASP 117 Ca 0.27 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1cxl h ASP 117 Cb -0.07 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1cxl h ASP 117 CO -0.07 0.55 0.45 0.15 -1.72 0.00 0.00 179.24 178.60 1cxl h PHE 118 N 0.92 0.86 -0.66 4.55 3.57 -0.29 0.49 116.94 126.37 1cxl h PHE 118 Ca 0.28 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1cxl h PHE 118 Cb -0.04 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 1cxl h PHE 118 CO -0.03 0.53 0.37 1.96 -2.23 0.00 0.00 178.31 178.91 1cxl h GLN 119 N 0.92 0.92 -0.85 1.11 4.20 -0.65 0.13 115.11 120.88 1cxl h GLN 119 Ca 0.26 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1cxl h GLN 119 Cb -0.08 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.48 1cxl h GLN 119 CO -0.07 0.68 0.44 -0.91 -0.67 0.00 0.00 178.83 178.30 1cxl h ASN 120 N 0.90 1.08 -0.03 1.46 2.35 -0.69 0.64 115.58 121.30 1cxl h ASN 120 Ca 0.23 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1cxl h ASN 120 Cb 0.02 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1cxl h ASN 120 CO -0.04 0.89 0.01 0.25 -1.65 0.00 0.00 177.43 176.89 1cxl h LEU 121 N 1.20 0.04 -0.52 1.61 5.85 -0.16 0.25 115.31 123.57 1cxl h LEU 121 Ca 0.30 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1cxl h LEU 121 Cb 0.07 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1cxl h LEU 121 CO -0.04 0.20 0.24 0.40 -0.34 0.00 0.00 178.44 178.90 1cxl h ILE 122 N -0.12 0.91 -0.11 4.05 1.08 -0.66 -0.57 117.51 122.08 1cxl h ILE 122 Ca 0.01 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1cxl h ILE 122 Cb 0.18 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1cxl h ILE 122 CO -0.00 0.09 0.04 0.00 -0.69 0.00 0.00 178.15 177.59 1cxl h ALA 123 N 1.30 0.15 -0.60 1.87 0.00 -0.62 -1.01 119.26 120.34 1cxl h ALA 123 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1cxl h ALA 123 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1cxl h ALA 123 CO -0.19 -0.26 0.33 0.00 0.00 0.00 0.00 179.25 179.13 1cxl h ALA 124 N 0.88 0.77 0.05 0.00 0.00 -0.26 -0.74 119.26 119.96 1cxl h ALA 124 Ca 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cxl h ALA 124 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1cxl h ALA 124 CO -0.00 0.29 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 1cxl h ALA 125 N 1.16 -0.07 -0.98 0.00 0.00 -1.05 -2.83 119.26 115.48 1cxl h ALA 125 Ca 0.21 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1cxl h ALA 125 Cb 0.04 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1cxl h ALA 125 CO -0.03 -0.45 0.64 0.45 0.00 0.00 0.00 179.25 179.86 1cxl h HIS 126 N -0.25 1.17 -0.07 0.00 3.86 -1.05 0.81 115.15 119.63 1cxl h HIS 126 Ca -0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1cxl h HIS 126 Cb 0.22 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 1cxl h HIS 126 CO -0.01 0.60 0.07 0.00 0.86 0.00 0.00 177.93 179.44 1cxl h ALA 127 N 1.47 1.71 -0.40 2.45 0.00 -0.91 -1.01 119.26 122.58 1cxl h ALA 127 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1cxl h ALA 127 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1cxl h ALA 127 CO -0.17 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.61 1cxl n LYS 128 N -3.97 3.74 -2.46 0.00 4.76 -0.06 -4.94 118.16 115.23 1cxl n LYS 128 Ca -0.01 -2.96 -0.18 0.00 -2.87 0.00 0.00 58.31 52.28 1cxl n LYS 128 Cb 0.17 -2.01 -0.00 0.00 -1.84 0.00 0.00 35.03 31.35 1cxl n LYS 128 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1cxl n ASN 129 N -0.00 -5.27 -4.42 4.39 3.02 -0.38 -4.99 115.26 107.59 1cxl n ASN 129 Ca 0.24 -0.06 -0.34 0.00 -0.03 0.00 0.00 54.58 54.38 1cxl n ASN 129 Cb 1.01 -4.29 -0.13 0.00 -0.61 0.00 0.00 39.78 35.76 1cxl n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1cxl s ILE 130 N -2.93 3.72 0.46 2.41 1.01 0.08 -4.76 121.20 121.19 1cxl s ILE 130 Ca 0.05 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 1cxl s ILE 130 Cb -0.02 -2.66 -0.08 0.00 0.01 0.00 0.00 42.46 39.71 1cxl s ILE 130 CO 0.07 0.45 0.89 -0.54 0.00 0.00 0.00 174.94 175.81 1cxl s LYS 131 N 0.86 3.90 -0.17 2.79 1.02 -0.18 -3.13 119.74 124.83 1cxl s LYS 131 Ca -0.00 0.77 0.01 0.00 0.02 0.00 0.00 55.97 56.77 1cxl s LYS 131 Cb -0.14 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1cxl s LYS 131 CO 0.02 -0.15 -0.19 0.08 -0.92 0.00 0.00 175.35 174.18 1cxl s VAL 132 N -2.48 1.97 -0.10 3.17 1.01 -1.26 -0.69 120.40 122.01 1cxl s VAL 132 Ca 0.56 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 1cxl s VAL 132 Cb -0.10 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1cxl s VAL 132 CO 0.30 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 175.21 1cxl s ILE 133 N 1.27 3.57 0.01 2.22 1.01 0.65 -0.12 121.20 129.81 1cxl s ILE 133 Ca 0.04 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1cxl s ILE 133 Cb -0.13 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1cxl s ILE 133 CO -0.11 0.55 -0.06 0.27 0.00 0.00 0.00 174.94 175.59 1cxl s ILE 134 N -0.23 3.68 0.45 2.92 -4.36 -0.92 -1.14 121.20 121.60 1cxl s ILE 134 Ca 0.03 -0.79 -0.22 0.00 -0.26 0.00 0.00 60.65 59.41 1cxl s ILE 134 Cb -0.13 -2.62 -0.09 0.00 1.25 0.00 0.00 42.46 40.88 1cxl s ILE 134 CO 0.03 0.37 1.03 -0.62 0.24 0.00 0.00 174.94 175.98 1cxl s ASP 135 N -1.50 6.58 -0.11 4.36 -1.08 -0.78 -1.31 116.67 122.84 1cxl s ASP 135 Ca 0.18 1.93 -0.05 0.00 -0.52 0.00 0.00 52.55 54.09 1cxl s ASP 135 Cb -0.11 -2.57 0.05 0.00 -1.46 0.00 0.00 42.92 38.84 1cxl s ASP 135 CO 0.08 -0.62 0.23 0.12 0.52 0.00 0.00 175.17 175.51 1cxl s PHE 136 N -1.90 -0.34 -0.64 -5.34 5.36 0.03 -4.14 117.98 111.02 1cxl s PHE 136 Ca 0.63 0.83 0.06 0.00 -0.96 0.00 0.00 56.93 57.49 1cxl s PHE 136 Cb -0.17 -0.06 0.21 0.00 -0.34 0.00 0.00 43.02 42.66 1cxl s PHE 136 CO 0.21 -0.30 0.58 0.00 -1.46 0.00 0.00 175.22 174.26 1cxl n ALA 137 N 4.97 3.56 1.87 11.12 0.00 -1.26 -0.81 120.51 139.96 1cxl n ALA 137 Ca -0.12 -4.43 0.02 0.00 0.00 0.00 0.00 53.44 48.91 1cxl n ALA 137 Cb 0.51 -0.94 0.13 0.00 0.00 0.00 0.00 19.45 19.14 1cxl n ALA 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cxl n PRO 138 N 1.55 0.94 0.10 0.00 -0.04 -1.26 -3.54 135.00 132.75 1cxl n PRO 138 Ca 0.25 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1cxl n PRO 138 Cb 0.40 -1.07 0.02 0.00 -0.04 0.00 0.00 33.50 32.81 1cxl n PRO 138 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1cxl h ASN 139 N 0.00 0.00 -5.09 3.54 -1.24 -1.91 -3.45 115.58 107.43 1cxl h ASN 139 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1cxl h ASN 139 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1cxl h ASN 139 CO 0.00 0.80 0.16 -1.38 -1.29 0.00 0.00 177.43 175.72 1cxl s HIS 140 N -3.11 0.17 0.00 0.67 -3.43 -1.23 -1.92 115.29 106.44 1cxl s HIS 140 Ca 0.00 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.56 1cxl s HIS 140 Cb 0.11 0.62 0.00 0.00 -1.43 0.00 0.00 32.58 31.88 1cxl s HIS 140 CO 0.79 -1.36 0.00 0.25 -2.00 0.00 0.00 174.74 172.42 1cxl n THR 141 N -0.50 0.00 -4.11 -5.38 -2.24 -0.91 -4.59 114.28 96.55 1cxl n THR 141 Ca -0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.57 1cxl n THR 141 Cb 0.60 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 1cxl n THR 141 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cxl s SER 142 N -0.93 1.15 0.22 3.42 1.04 -1.25 -1.78 113.70 115.58 1cxl s SER 142 Ca 0.00 -1.58 -0.32 0.00 0.48 0.00 0.00 55.95 54.53 1cxl s SER 142 Cb 0.00 0.68 -0.12 0.00 0.10 0.00 0.00 66.02 66.67 1cxl s SER 142 CO 0.00 -1.32 1.64 -2.65 0.98 0.00 0.00 173.24 171.89 1cxl n PRO 143 N -0.61 2.58 -4.07 4.02 -0.02 -1.26 -1.31 135.00 134.33 1cxl n PRO 143 Ca 0.02 0.93 -0.09 0.00 -2.02 0.00 0.00 63.50 62.33 1cxl n PRO 143 Cb 0.61 -2.73 -0.09 0.00 -0.02 0.00 0.00 33.50 31.27 1cxl n PRO 143 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cxl s ALA 144 N 0.72 0.49 -0.08 3.55 0.00 0.87 -3.48 121.76 123.83 1cxl s ALA 144 Ca 0.72 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 1cxl s ALA 144 Cb -0.55 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1cxl s ALA 144 CO 0.39 -0.50 0.08 0.45 0.00 0.00 0.00 175.76 176.18 1cxl s SER 145 N -2.98 1.44 0.18 0.00 0.15 -1.26 -4.81 113.70 106.41 1cxl s SER 145 Ca 0.17 -0.09 -0.10 0.00 0.70 0.00 0.00 55.95 56.62 1cxl s SER 145 Cb 0.06 -0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.34 1cxl s SER 145 CO -0.02 -0.28 1.71 0.77 1.20 0.00 0.00 173.24 176.61 1cxl h SER 146 N 8.43 0.94 -0.92 5.45 4.64 -1.97 -3.01 113.55 127.12 1cxl h SER 146 Ca -0.13 -0.22 -0.58 0.00 -0.47 0.00 0.00 61.79 60.39 1cxl h SER 146 Cb 1.13 -0.25 -0.29 0.00 -0.31 0.00 0.00 62.40 62.68 1cxl h SER 146 CO 0.19 0.91 0.55 -0.90 -0.87 0.00 0.00 176.83 176.71 1cxl n ASP 147 N -4.35 5.95 -2.70 4.97 5.75 -1.26 -4.42 116.55 120.49 1cxl n ASP 147 Ca 0.04 -3.74 -0.06 0.00 -0.01 0.00 0.00 54.79 51.02 1cxl n ASP 147 Cb 0.22 -0.85 0.06 0.00 -1.03 0.00 0.00 41.12 39.53 1cxl n ASP 147 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1cxl n GLN 148 N -0.97 0.42 0.15 0.11 -0.06 -1.14 -5.00 117.38 110.89 1cxl n GLN 148 Ca 0.58 -1.16 0.11 0.00 -2.00 0.00 0.00 57.00 54.52 1cxl n GLN 148 Cb 0.98 -0.79 0.53 0.00 -4.06 0.00 0.00 30.24 26.91 1cxl n GLN 148 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1cxl n PRO 149 N 1.57 0.15 0.15 3.69 -0.02 -1.23 -1.18 135.00 138.13 1cxl n PRO 149 Ca 0.05 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 1cxl n PRO 149 Cb 0.67 -1.91 0.34 0.00 -0.02 0.00 0.00 33.50 32.58 1cxl n PRO 149 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1cxl h SER 150 N 0.00 0.00 -3.16 2.55 4.64 -1.94 -3.39 113.55 112.25 1cxl h SER 150 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1cxl h SER 150 Cb 0.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1cxl h SER 150 CO 0.00 0.00 0.59 0.12 -0.87 0.00 0.00 176.83 176.67 1cxl s PHE 151 N -3.17 3.40 0.00 4.77 5.36 -0.32 -4.82 117.98 123.21 1cxl s PHE 151 Ca 0.09 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 1cxl s PHE 151 Cb 0.10 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.32 1cxl s PHE 151 CO 0.61 -1.45 0.00 0.00 -1.46 0.00 0.00 175.22 172.91 1cxl n ALA 152 N 3.96 0.00 -1.03 11.12 0.00 -1.26 -1.72 120.51 131.58 1cxl n ALA 152 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1cxl n ALA 152 Cb 0.46 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.17 1cxl n ALA 152 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cxl n GLU 153 N 14.00 2.94 -2.03 0.00 1.02 -1.26 -4.93 120.64 130.38 1cxl n GLU 153 Ca 0.00 -2.90 -0.20 0.00 -0.02 0.00 0.00 57.16 54.05 1cxl n GLU 153 Cb 0.00 -1.88 -0.04 0.00 -0.02 0.00 0.00 31.44 29.50 1cxl n GLU 153 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1cxl n ASN 154 N -0.51 -5.48 -1.55 1.62 4.05 -0.70 -1.75 115.26 110.93 1cxl n ASN 154 Ca 0.23 0.23 -0.19 0.00 0.45 0.00 0.00 54.58 55.30 1cxl n ASN 154 Cb 0.94 -4.70 -0.07 0.00 1.23 0.00 0.00 39.78 37.18 1cxl n ASN 154 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cxl n GLY 155 N -0.71 1.47 3.64 8.20 0.00 -1.23 -0.37 105.19 116.20 1cxl n GLY 155 Ca -0.22 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 1cxl n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cxl n ARG 156 N -2.51 1.74 -4.17 1.61 1.74 -0.72 -4.54 116.66 109.81 1cxl n ARG 156 Ca -0.19 0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 57.16 1cxl n ARG 156 Cb 0.62 -2.18 -0.13 0.00 -1.02 0.00 0.00 32.46 29.75 1cxl n ARG 156 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1cxl s LEU 157 N 0.14 2.98 0.09 0.55 2.96 0.23 -4.59 118.68 121.06 1cxl s LEU 157 Ca 0.66 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 1cxl s LEU 157 Cb -0.69 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 1cxl s LEU 157 CO 0.53 0.06 -0.14 -0.31 -1.32 0.00 0.00 176.35 175.17 1cxl s TYR 158 N 1.02 2.65 -0.51 5.38 1.51 0.77 0.25 117.35 128.41 1cxl s TYR 158 Ca 0.00 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1cxl s TYR 158 Cb -0.15 -1.42 0.13 0.00 -0.11 0.00 0.00 41.96 40.42 1cxl s TYR 158 CO 0.00 0.38 0.29 0.34 -1.11 0.00 0.00 175.55 175.46 1cxl s ASP 159 N -2.00 4.97 -1.47 2.29 2.15 0.14 -4.22 116.67 118.53 1cxl s ASP 159 Ca 0.19 -2.60 -0.09 0.00 0.43 0.00 0.00 52.55 50.48 1cxl s ASP 159 Cb -0.11 -1.77 0.06 0.00 -0.30 0.00 0.00 42.92 40.80 1cxl s ASP 159 CO 0.11 -0.38 0.83 -3.20 -0.17 0.00 0.00 175.17 172.35 1cxl n ASN 160 N 3.76 -3.16 0.00 -0.34 4.05 -1.26 -1.39 115.26 116.93 1cxl n ASN 160 Ca 0.04 -0.84 0.00 0.00 0.45 0.00 0.00 54.58 54.24 1cxl n ASN 160 Cb 0.38 -3.74 0.00 0.00 1.23 0.00 0.00 39.78 37.65 1cxl n ASN 160 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cxl n GLY 161 N -1.67 3.24 3.63 8.20 0.00 -1.26 -5.04 105.19 112.30 1cxl n GLY 161 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1cxl n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxl s THR 162 N -2.93 4.77 0.13 2.61 2.01 -0.48 -5.00 115.64 116.75 1cxl s THR 162 Ca 0.00 1.46 -0.31 0.00 0.31 0.00 0.00 61.69 63.15 1cxl s THR 162 Cb 0.00 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 1cxl s THR 162 CO 0.00 -0.20 1.75 -0.22 -0.69 0.00 0.00 174.62 175.26 1cxl s LEU 163 N 3.00 4.38 -0.17 4.42 2.96 -1.26 0.27 118.68 132.28 1cxl s LEU 163 Ca 0.36 2.71 -0.08 0.00 -0.22 0.00 0.00 54.13 56.90 1cxl s LEU 163 Cb -0.14 -3.57 -0.22 0.00 0.50 0.00 0.00 46.19 42.75 1cxl s LEU 163 CO 0.10 -0.96 0.17 0.18 -1.32 0.00 0.00 176.35 174.53 1cxl n LEU 164 N 5.17 2.52 0.00 -0.68 4.77 0.14 -4.89 117.00 124.03 1cxl n LEU 164 Ca 0.17 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1cxl n LEU 164 Cb 0.38 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1cxl n LEU 164 CO 0.64 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1cxl n GLY 165 N 1.90 0.45 3.43 -0.72 0.00 -1.14 -5.01 105.19 104.09 1cxl n GLY 165 Ca -0.36 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 1cxl n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxl n GLY 166 N -0.81 3.31 0.22 -0.02 0.00 -1.26 -0.60 105.19 106.04 1cxl n GLY 166 Ca 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.81 1cxl n GLY 166 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1cxl h TYR 167 N 1.58 0.46 -3.39 1.61 3.20 -0.94 -3.37 116.97 116.11 1cxl h TYR 167 Ca -0.34 -0.11 -0.55 0.00 3.14 0.00 0.00 58.73 60.86 1cxl h TYR 167 Cb 1.23 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 1cxl h TYR 167 CO 0.00 0.69 0.09 0.99 -1.64 0.00 0.00 178.16 178.30 1cxl s THR 168 N -4.32 4.74 -1.18 1.81 2.01 -1.26 -3.86 115.64 113.58 1cxl s THR 168 Ca -0.06 1.49 -0.06 0.00 0.31 0.00 0.00 61.69 63.37 1cxl s THR 168 Cb 0.13 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1cxl s THR 168 CO 0.79 0.41 1.02 0.59 -0.69 0.00 0.00 174.62 176.74 1cxl n ASN 169 N 2.56 -4.95 -3.61 3.53 3.02 -1.26 -4.86 115.26 109.68 1cxl n ASN 169 Ca -0.05 -0.50 -0.41 0.00 -0.03 0.00 0.00 54.58 53.59 1cxl n ASN 169 Cb 0.50 -4.58 -0.01 0.00 -0.61 0.00 0.00 39.78 35.08 1cxl n ASN 169 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cxl n ASP 170 N -2.64 5.42 0.23 6.41 2.03 -1.25 -4.63 116.55 122.12 1cxl n ASP 170 Ca -0.06 -2.79 0.07 0.00 0.52 0.00 0.00 54.79 52.54 1cxl n ASP 170 Cb 0.58 -1.62 0.55 0.00 -0.72 0.00 0.00 41.12 39.91 1cxl n ASP 170 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1cxl h THR 171 N 3.67 0.94 0.00 5.18 1.35 -1.91 -1.83 112.91 120.31 1cxl h THR 171 Ca 0.65 -0.76 -0.05 0.00 -0.55 0.00 0.00 66.41 65.69 1cxl h THR 171 Cb 0.53 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1cxl h THR 171 CO 1.84 0.20 -0.26 1.56 -0.25 0.00 0.00 175.52 178.61 1cxl h GLN 172 N 0.00 0.00 -3.66 4.72 4.20 -1.97 -3.47 115.11 114.93 1cxl h GLN 172 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 1cxl h GLN 172 Cb 0.42 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.28 1cxl h GLN 172 CO 0.03 0.26 -0.37 -1.71 -0.67 0.00 0.00 178.83 176.37 1cxl n ASN 173 N -3.31 -3.23 0.21 1.46 4.05 -0.69 -4.90 115.26 108.84 1cxl n ASN 173 Ca 0.01 -0.29 0.09 0.00 0.45 0.00 0.00 54.58 54.84 1cxl n ASN 173 Cb 0.50 -2.84 0.29 0.00 1.23 0.00 0.00 39.78 38.96 1cxl n ASN 173 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1cxl h LEU 174 N -1.20 0.00 -9.29 1.20 3.38 -1.92 -3.44 115.31 104.04 1cxl h LEU 174 Ca -0.30 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.14 1cxl h LEU 174 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 1cxl h LEU 174 CO 0.27 0.21 -0.65 -0.36 0.09 0.00 0.00 178.44 178.00 1cxl s PHE 175 N -3.34 2.13 0.10 1.13 0.08 -1.26 -0.14 117.98 116.69 1cxl s PHE 175 Ca 0.03 -0.70 -0.19 0.00 0.12 0.00 0.00 56.93 56.20 1cxl s PHE 175 Cb 0.08 -1.30 -0.07 0.00 -0.57 0.00 0.00 43.02 41.16 1cxl s PHE 175 CO 0.66 0.32 0.59 -1.01 -0.10 0.00 0.00 175.22 175.69 1cxl s HIS 176 N -2.93 3.77 -0.46 0.36 3.76 0.11 -4.68 115.29 115.21 1cxl s HIS 176 Ca 0.32 1.27 0.08 0.00 -0.15 0.00 0.00 55.06 56.58 1cxl s HIS 176 Cb 0.05 -2.50 0.39 0.00 1.11 0.00 0.00 32.58 31.63 1cxl s HIS 176 CO 0.14 0.54 0.98 0.72 -0.85 0.00 0.00 174.74 176.27 1cxl n HIS 177 N 1.47 2.93 -0.68 1.40 8.25 -1.26 -4.60 115.22 122.72 1cxl n HIS 177 Ca -0.08 -3.47 0.07 0.00 -0.26 0.00 0.00 57.72 53.98 1cxl n HIS 177 Cb 0.51 -0.31 0.21 0.00 1.12 0.00 0.00 29.99 31.52 1cxl n HIS 177 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1cxl n ASN 178 N -0.25 3.42 0.00 0.41 3.02 -1.26 -5.09 115.26 115.51 1cxl n ASN 178 Ca 0.30 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 1cxl n ASN 178 Cb 0.59 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1cxl n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cxl n GLY 179 N -0.20 -1.74 3.58 7.41 0.00 -1.26 -4.81 105.19 108.17 1cxl n GLY 179 Ca 0.17 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1cxl n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cxl s GLY 180 N -0.12 1.80 0.37 -0.02 0.00 -1.26 -0.72 107.32 107.36 1cxl s GLY 180 Ca 0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 1cxl s GLY 180 CO 0.00 -1.21 0.80 -1.08 0.00 0.00 0.00 173.10 171.62 1cxl s THR 181 N -1.21 4.62 -0.75 0.90 -1.32 -0.40 -4.76 115.64 112.72 1cxl s THR 181 Ca 0.21 1.05 0.08 0.00 -1.21 0.00 0.00 61.69 61.82 1cxl s THR 181 Cb -0.11 -3.63 0.20 0.00 -1.51 0.00 0.00 72.50 67.45 1cxl s THR 181 CO 0.14 -0.28 1.12 -0.90 -2.21 0.00 0.00 174.62 172.48 1cxl n ASP 182 N -0.60 2.52 -1.41 8.08 5.75 -1.26 -4.75 116.55 124.87 1cxl n ASP 182 Ca 0.04 -1.89 -0.18 0.00 -0.01 0.00 0.00 54.79 52.75 1cxl n ASP 182 Cb 0.53 -0.14 -0.08 0.00 -1.03 0.00 0.00 41.12 40.40 1cxl n ASP 182 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1cxl n PHE 183 N 0.29 0.00 0.07 2.11 3.01 -1.26 -4.89 117.46 116.79 1cxl n PHE 183 Ca 0.08 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.51 1cxl n PHE 183 Cb 0.35 -3.15 0.21 0.00 -0.01 0.00 0.00 39.48 36.88 1cxl n PHE 183 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1cxl h SER 184 N 0.00 0.34 -5.16 4.37 4.64 -1.94 -3.46 113.55 112.34 1cxl h SER 184 Ca -0.38 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 60.70 1cxl h SER 184 Cb 1.21 -0.09 -0.16 0.00 -0.31 0.00 0.00 62.40 63.05 1cxl h SER 184 CO 0.55 0.69 -0.53 0.42 -0.87 0.00 0.00 176.83 177.09 1cxl s THR 185 N -4.24 0.17 0.20 2.95 -4.23 -1.26 -5.03 115.64 104.20 1cxl s THR 185 Ca -0.05 -1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1cxl s THR 185 Cb 0.13 -1.25 0.12 0.00 1.34 0.00 0.00 72.50 72.84 1cxl s THR 185 CO 0.78 -0.76 1.83 0.74 -0.54 0.00 0.00 174.62 176.67 1cxl h THR 186 N 3.19 1.05 -0.70 3.99 2.02 -1.94 -1.74 112.91 118.78 1cxl h THR 186 Ca -0.34 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1cxl h THR 186 Cb 1.17 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1cxl h THR 186 CO 0.58 0.13 0.46 -0.08 0.37 0.00 0.00 175.52 176.98 1cxl h GLU 187 N 0.73 0.92 -0.63 6.66 4.81 -1.96 -1.67 114.58 123.44 1cxl h GLU 187 Ca 0.26 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1cxl h GLU 187 Cb 0.06 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1cxl h GLU 187 CO -0.12 0.62 0.38 -0.97 -0.73 0.00 0.00 179.01 178.18 1cxl h ASN 188 N 0.95 0.59 1.15 1.04 -0.73 -1.82 -2.06 115.58 114.71 1cxl h ASN 188 Ca 0.26 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.44 1cxl h ASN 188 Cb -0.11 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.37 1cxl h ASN 188 CO -0.05 0.41 0.00 1.23 -0.37 0.00 0.00 177.43 178.64 1cxl h GLY 189 N 0.72 0.00 0.08 1.57 0.00 -0.84 -2.93 103.07 101.69 1cxl h GLY 189 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.44 1cxl h GLY 189 CO -0.13 0.00 -0.82 -2.22 0.00 0.00 0.00 176.54 173.37 1cxl h ILE 190 N 0.00 1.26 -0.01 2.60 2.04 -0.64 -3.41 117.51 119.35 1cxl h ILE 190 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1cxl h ILE 190 Cb 0.58 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1cxl h ILE 190 CO 0.00 0.48 -0.13 -1.22 0.00 0.00 0.00 178.15 177.28 1cxl n TYR 191 N -4.42 0.00 -4.29 1.37 4.01 -0.93 -4.64 117.16 108.25 1cxl n TYR 191 Ca -0.23 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.27 1cxl n TYR 191 Cb 0.64 -0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.53 1cxl n TYR 191 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1cxl s LYS 192 N -2.25 2.16 0.41 -0.72 1.02 -1.10 -4.40 119.74 114.86 1cxl s LYS 192 Ca 0.31 -1.61 -0.24 0.00 0.02 0.00 0.00 55.97 54.45 1cxl s LYS 192 Cb 0.20 -2.03 -0.08 0.00 -0.52 0.00 0.00 37.83 35.39 1cxl s LYS 192 CO 0.43 0.22 1.12 -0.80 -0.92 0.00 0.00 175.35 175.40 1cxl s ASN 193 N -3.71 6.57 -0.51 2.83 0.01 0.10 -4.55 114.94 115.68 1cxl s ASN 193 Ca 0.34 2.22 -0.26 0.00 -0.71 0.00 0.00 52.86 54.44 1cxl s ASN 193 Cb -0.03 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.06 1cxl s ASN 193 CO 0.20 -0.64 1.02 -0.76 -1.51 0.00 0.00 177.10 175.41 1cxl s LEU 194 N -2.61 3.85 0.00 0.60 1.43 -1.26 -1.28 118.68 119.42 1cxl s LEU 194 Ca 0.58 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1cxl s LEU 194 Cb -0.27 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1cxl s LEU 194 CO 0.34 -1.21 0.00 -1.22 0.23 0.00 0.00 176.35 174.49 1cxl n TYR 195 N 7.61 0.00 -0.79 0.29 4.01 -1.26 -1.31 117.16 125.70 1cxl n TYR 195 Ca 0.07 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.89 1cxl n TYR 195 Cb 0.48 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.76 1cxl n TYR 195 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1cxl n ASP 196 N 6.81 3.81 -4.68 7.72 5.68 -1.26 -4.83 116.55 129.81 1cxl n ASP 196 Ca 0.00 -2.77 -0.43 0.00 -0.50 0.00 0.00 54.79 51.10 1cxl n ASP 196 Cb 0.00 -0.48 -0.02 0.00 -1.14 0.00 0.00 41.12 39.47 1cxl n ASP 196 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1cxl s LEU 197 N -2.38 4.23 -0.19 -2.12 1.43 -0.43 -0.09 118.68 119.13 1cxl s LEU 197 Ca 0.39 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 1cxl s LEU 197 Cb 0.30 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 1cxl s LEU 197 CO 0.11 -0.57 2.16 0.00 0.23 0.00 0.00 176.35 178.28 1cxl n ALA 198 N 5.50 1.61 -2.50 4.21 0.00 -0.43 -4.07 120.51 124.83 1cxl n ALA 198 Ca 0.11 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1cxl n ALA 198 Cb 0.47 -2.81 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 1cxl n ALA 198 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cxl s ASP 199 N 7.38 6.75 0.34 0.00 2.15 -1.26 -2.14 116.67 129.88 1cxl s ASP 199 Ca 1.00 1.10 -0.28 0.00 0.43 0.00 0.00 52.55 54.79 1cxl s ASP 199 Cb -0.44 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.54 1cxl s ASP 199 CO 0.39 -1.04 1.32 -0.76 -0.17 0.00 0.00 175.17 174.92 1cxl s LEU 200 N 4.17 4.40 -0.64 -1.34 1.43 -0.81 0.04 118.68 125.93 1cxl s LEU 200 Ca 0.52 2.72 -0.19 0.00 -1.03 0.00 0.00 54.13 56.15 1cxl s LEU 200 Cb -0.15 -3.67 0.11 0.00 0.03 0.00 0.00 46.19 42.51 1cxl s LEU 200 CO 0.21 -0.59 0.75 0.21 0.23 0.00 0.00 176.35 177.17 1cxl s ASN 201 N -0.48 6.26 0.00 2.29 2.47 0.80 -4.64 114.94 121.64 1cxl s ASN 201 Ca 0.50 -1.57 0.15 0.00 0.42 0.00 0.00 52.86 52.36 1cxl s ASN 201 Cb -0.40 -2.31 0.74 0.00 -1.45 0.00 0.00 41.25 37.83 1cxl s ASN 201 CO 0.53 -1.08 1.43 1.41 -3.72 0.00 0.00 177.10 175.67 1cxl n HIS 202 N 6.23 0.00 1.18 0.43 8.25 -1.26 -1.48 115.22 128.57 1cxl n HIS 202 Ca -0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.54 1cxl n HIS 202 Cb 0.43 -0.33 0.35 0.00 1.12 0.00 0.00 29.99 31.57 1cxl n HIS 202 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1cxl n ASN 203 N -1.33 0.87 -4.67 0.41 5.15 -1.26 -4.51 115.26 109.92 1cxl n ASN 203 Ca 0.06 -0.71 -0.41 0.00 -0.60 0.00 0.00 54.58 52.93 1cxl n ASN 203 Cb 0.13 0.16 -0.05 0.00 -0.53 0.00 0.00 39.78 39.49 1cxl n ASN 203 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1cxl s ASN 204 N -2.63 6.84 0.28 1.20 3.84 -0.55 -4.74 114.94 119.18 1cxl s ASN 204 Ca 0.21 1.02 0.02 0.00 0.21 0.00 0.00 52.86 54.33 1cxl s ASN 204 Cb 0.19 -2.40 0.62 0.00 -0.55 0.00 0.00 41.25 39.11 1cxl s ASN 204 CO 0.57 -0.33 1.79 0.28 -2.79 0.00 0.00 177.10 176.61 1cxl h SER 205 N 7.37 0.75 -0.03 -4.21 0.02 -1.87 0.03 113.55 115.61 1cxl h SER 205 Ca -0.31 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1cxl h SER 205 Cb 1.14 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1cxl h SER 205 CO 0.81 0.32 0.02 0.74 -1.14 0.00 0.00 176.83 177.57 1cxl h THR 206 N 0.79 1.05 -0.24 -2.27 2.02 -1.94 0.55 112.91 112.88 1cxl h THR 206 Ca 0.52 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.54 1cxl h THR 206 Cb 0.71 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1cxl h THR 206 CO -0.34 0.04 0.14 0.58 0.37 0.00 0.00 175.52 176.31 1cxl h VAL 207 N -0.02 1.11 0.39 3.16 2.07 -1.68 -0.02 116.25 121.26 1cxl h VAL 207 Ca 0.01 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1cxl h VAL 207 Cb 0.06 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1cxl h VAL 207 CO -0.00 0.11 -0.43 -0.78 0.02 0.00 0.00 177.57 176.48 1cxl h ASP 208 N 0.28 -1.20 -0.72 0.57 3.58 -0.86 -0.68 116.42 117.40 1cxl h ASP 208 Ca 0.09 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.65 1cxl h ASP 208 Cb 0.05 0.41 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 1cxl h ASP 208 CO -0.01 -0.58 0.48 0.58 -2.88 0.00 0.00 179.24 176.82 1cxl h VAL 209 N -0.86 1.19 -0.15 2.25 2.07 -0.85 -2.52 116.25 117.38 1cxl h VAL 209 Ca -0.04 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1cxl h VAL 209 Cb 0.77 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1cxl h VAL 209 CO -0.09 0.18 0.02 0.22 0.02 0.00 0.00 177.57 177.92 1cxl h TYR 210 N 0.97 0.02 -0.76 1.57 3.20 -0.81 -0.56 116.97 120.60 1cxl h TYR 210 Ca 0.26 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 1cxl h TYR 210 Cb -0.11 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1cxl h TYR 210 CO -0.02 -0.00 0.36 -0.07 -1.64 0.00 0.00 178.16 176.79 1cxl h LEU 211 N 0.07 1.01 -0.72 2.82 3.38 -0.96 0.12 115.31 121.02 1cxl h LEU 211 Ca 0.07 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1cxl h LEU 211 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1cxl h LEU 211 CO -0.11 0.86 -0.06 0.11 0.09 0.00 0.00 178.44 179.34 1cxl h LYS 212 N 1.08 0.92 -0.40 1.13 1.57 -1.26 -1.70 116.57 117.91 1cxl h LYS 212 Ca 0.26 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1cxl h LYS 212 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1cxl h LYS 212 CO -0.03 0.95 -0.26 -0.44 -0.57 0.00 0.00 179.45 179.10 1cxl h ASP 213 N 0.84 0.85 -0.12 0.86 3.32 -0.72 -2.63 116.42 118.81 1cxl h ASP 213 Ca 0.15 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1cxl h ASP 213 Cb 0.58 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1cxl h ASP 213 CO 0.03 1.06 0.07 0.00 -1.72 0.00 0.00 179.24 178.69 1cxl h ALA 214 N 1.00 0.15 -0.66 3.45 0.00 -0.42 -2.40 119.26 120.38 1cxl h ALA 214 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1cxl h ALA 214 Cb 0.79 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1cxl h ALA 214 CO 0.07 -0.34 0.40 0.97 0.00 0.00 0.00 179.25 180.34 1cxl h ILE 215 N 0.13 1.18 -0.68 0.00 6.09 -1.29 -1.31 117.51 121.64 1cxl h ILE 215 Ca 0.04 -0.40 0.04 0.00 -1.37 0.00 0.00 64.86 63.17 1cxl h ILE 215 Cb 0.02 0.25 -0.04 0.00 0.47 0.00 0.00 36.82 37.53 1cxl h ILE 215 CO -0.01 0.19 0.45 0.11 -3.07 0.00 0.00 178.15 175.82 1cxl h LYS 216 N 0.91 0.77 -0.16 2.19 1.57 -1.08 -0.06 116.57 120.71 1cxl h LYS 216 Ca 0.24 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1cxl h LYS 216 Cb -0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1cxl h LYS 216 CO -0.05 0.51 0.11 1.98 -0.57 0.00 0.00 179.45 181.43 1cxl h MET 217 N 0.80 0.22 -0.64 3.15 4.05 -0.76 -0.75 114.93 121.00 1cxl h MET 217 Ca 0.27 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.63 1cxl h MET 217 Cb 0.09 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1cxl h MET 217 CO -0.08 0.15 0.22 -1.49 0.23 0.00 0.00 176.91 175.94 1cxl h TRP 218 N 0.22 0.98 -0.81 1.39 4.06 -1.08 -1.73 115.95 118.97 1cxl h TRP 218 Ca 0.06 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 1cxl h TRP 218 Cb -0.02 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 27.81 1cxl h TRP 218 CO -0.07 0.77 0.40 -0.07 -3.56 0.00 0.00 178.44 175.91 1cxl h LEU 219 N 0.93 1.05 -1.59 -4.49 3.38 -0.71 -1.41 115.31 112.46 1cxl h LEU 219 Ca 0.21 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1cxl h LEU 219 Cb 0.23 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1cxl h LEU 219 CO -0.01 0.87 -0.14 0.44 0.09 0.00 0.00 178.44 179.69 1cxl h ASP 220 N 1.15 0.00 0.67 -0.43 3.32 -0.50 -1.48 116.42 119.15 1cxl h ASP 220 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1cxl h ASP 220 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1cxl h ASP 220 CO -0.04 0.14 -0.01 0.18 -1.72 0.00 0.00 179.24 177.79 1cxl n LEU 221 N -3.42 0.03 0.00 1.55 4.77 -0.55 -4.93 117.00 114.45 1cxl n LEU 221 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1cxl n LEU 221 Cb 0.31 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1cxl n LEU 221 CO 0.30 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1cxl n GLY 222 N 1.34 0.92 3.71 -0.72 0.00 -0.55 -4.90 105.19 104.99 1cxl n GLY 222 Ca 0.12 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1cxl n GLY 222 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1cxl s ILE 223 N -2.00 2.05 -0.63 -0.61 -4.36 -1.18 -4.91 121.20 109.57 1cxl s ILE 223 Ca 0.00 0.03 0.17 0.00 -0.26 0.00 0.00 60.65 60.59 1cxl s ILE 223 Cb 0.00 -2.63 -0.21 0.00 1.25 0.00 0.00 42.46 40.87 1cxl s ILE 223 CO 0.00 -0.01 0.65 0.47 0.24 0.00 0.00 174.94 176.29 1cxl n ASP 224 N -2.81 0.84 -3.67 4.36 8.00 0.83 -4.92 116.55 119.19 1cxl n ASP 224 Ca 0.14 -0.69 -0.01 0.00 0.71 0.00 0.00 54.79 54.94 1cxl n ASP 224 Cb 0.50 1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 42.78 1cxl n ASP 224 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1cxl s GLY 225 N -2.97 -0.34 -0.03 0.44 0.00 -1.11 -3.43 107.32 99.88 1cxl s GLY 225 Ca 0.03 0.54 0.02 0.00 0.00 0.00 0.00 44.72 45.31 1cxl s GLY 225 CO 0.72 0.11 -0.06 -0.42 0.00 0.00 0.00 173.10 173.44 1cxl s ILE 226 N -2.80 0.60 -0.37 0.90 1.01 0.32 -2.16 121.20 118.70 1cxl s ILE 226 Ca 0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1cxl s ILE 226 Cb 0.02 -0.57 0.03 0.00 0.01 0.00 0.00 42.46 41.95 1cxl s ILE 226 CO -0.02 0.21 0.19 -0.60 0.00 0.00 0.00 174.94 174.72 1cxl s ARG 227 N 0.42 2.75 -0.24 2.79 3.00 -0.42 -0.79 118.95 126.45 1cxl s ARG 227 Ca -0.06 -1.14 -0.23 0.00 -1.00 0.00 0.00 55.73 53.31 1cxl s ARG 227 Cb -0.10 -3.67 -0.01 0.00 0.00 0.00 0.00 34.95 31.17 1cxl s ARG 227 CO 0.00 -0.71 0.74 -1.64 0.00 0.00 0.00 175.30 173.68 1cxl s MET 228 N 1.51 4.16 0.26 5.12 -1.94 0.13 -0.79 119.30 127.73 1cxl s MET 228 Ca 0.01 0.76 -0.30 0.00 -1.71 0.00 0.00 55.69 54.46 1cxl s MET 228 Cb -0.20 -3.64 -0.09 0.00 2.01 0.00 0.00 34.83 32.91 1cxl s MET 228 CO 0.05 -0.45 0.97 0.34 -0.01 0.00 0.00 175.02 175.92 1cxl s ASP 229 N 1.38 7.54 -1.32 3.03 -1.08 0.01 -0.31 116.67 125.93 1cxl s ASP 229 Ca 0.31 2.01 -0.01 0.00 -0.52 0.00 0.00 52.55 54.34 1cxl s ASP 229 Cb -0.15 -2.61 -0.00 0.00 -1.46 0.00 0.00 42.92 38.69 1cxl s ASP 229 CO 0.08 0.08 0.64 0.00 0.52 0.00 0.00 175.17 176.49 1cxl n ALA 230 N 1.35 -2.04 0.30 3.66 0.00 -1.21 -4.64 120.51 117.92 1cxl n ALA 230 Ca -0.01 -0.19 0.19 0.00 0.00 0.00 0.00 53.44 53.43 1cxl n ALA 230 Cb 0.47 -1.97 0.85 0.00 0.00 0.00 0.00 19.45 18.80 1cxl n ALA 230 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1cxl h VAL 231 N -1.85 0.00 0.00 0.00 -1.51 -1.45 -0.43 116.25 111.01 1cxl h VAL 231 Ca -0.62 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 1cxl h VAL 231 Cb 1.36 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1cxl h VAL 231 CO 0.57 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 178.08 1cxl n LYS 232 N -3.09 0.16 -0.21 5.19 4.81 -1.26 -3.48 118.16 120.29 1cxl n LYS 232 Ca -0.00 0.04 0.09 0.00 -0.87 0.00 0.00 58.31 57.57 1cxl n LYS 232 Cb 0.24 -1.50 0.20 0.00 0.02 0.00 0.00 35.03 33.99 1cxl n LYS 232 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1cxl n HIS 233 N -1.41 0.54 -4.26 5.64 8.25 -0.17 -4.46 115.22 119.35 1cxl n HIS 233 Ca 0.09 -0.35 -0.22 0.00 -0.26 0.00 0.00 57.72 56.97 1cxl n HIS 233 Cb 0.27 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.25 1cxl n HIS 233 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1cxl s MET 234 N -1.16 1.05 0.14 -0.41 -1.94 -1.23 -4.35 119.30 111.40 1cxl s MET 234 Ca 0.33 -1.12 -0.33 0.00 -1.71 0.00 0.00 55.69 52.86 1cxl s MET 234 Cb 0.19 -1.23 -0.13 0.00 2.01 0.00 0.00 34.83 35.66 1cxl s MET 234 CO 0.25 0.28 1.66 -2.30 -0.01 0.00 0.00 175.02 174.91 1cxl n PRO 235 N 1.09 2.32 -0.27 2.03 -0.02 -1.26 -4.86 135.00 134.04 1cxl n PRO 235 Ca -0.20 0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 62.11 1cxl n PRO 235 Cb 0.54 -2.64 0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1cxl n PRO 235 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1cxl h PHE 236 N 6.68 0.86 -0.75 6.00 0.04 -1.89 -1.34 116.94 126.55 1cxl h PHE 236 Ca -0.45 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.31 1cxl h PHE 236 Cb 1.24 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.08 1cxl h PHE 236 CO 0.67 0.46 0.32 0.78 -0.60 0.00 0.00 178.31 179.95 1cxl h GLY 237 N 0.88 1.18 0.96 -1.45 0.00 -1.87 -0.17 103.07 102.60 1cxl h GLY 237 Ca 0.32 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1cxl h GLY 237 CO -0.14 0.58 0.14 -0.25 0.00 0.00 0.00 176.54 176.87 1cxl h TRP 238 N 1.08 0.77 -0.73 5.60 7.01 -1.57 -1.75 115.95 126.35 1cxl h TRP 238 Ca 0.25 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1cxl h TRP 238 Cb 0.17 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1cxl h TRP 238 CO 0.02 0.68 0.36 1.96 -2.79 0.00 0.00 178.44 178.67 1cxl h GLN 239 N 0.63 1.02 -0.51 2.65 4.20 -0.77 0.23 115.11 122.56 1cxl h GLN 239 Ca 0.15 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1cxl h GLN 239 Cb 0.28 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1cxl h GLN 239 CO -0.00 0.78 0.33 -0.22 -0.67 0.00 0.00 178.83 179.04 1cxl h LYS 240 N 1.02 0.67 -0.24 1.46 3.64 -0.67 0.77 116.57 123.22 1cxl h LYS 240 Ca 0.25 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1cxl h LYS 240 Cb 0.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1cxl h LYS 240 CO -0.04 0.46 0.05 0.66 -2.27 0.00 0.00 179.45 178.31 1cxl h SER 241 N 0.69 0.31 -0.21 4.20 4.64 -0.40 0.12 113.55 122.90 1cxl h SER 241 Ca 0.19 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1cxl h SER 241 Cb -0.06 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1cxl h SER 241 CO -0.04 0.33 -0.12 0.15 -0.87 0.00 0.00 176.83 176.28 1cxl h PHE 242 N 0.34 0.53 -0.32 4.77 3.57 0.01 -1.25 116.94 124.59 1cxl h PHE 242 Ca 0.08 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1cxl h PHE 242 Cb 0.16 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1cxl h PHE 242 CO 0.00 0.75 0.02 0.52 -2.23 0.00 0.00 178.31 177.38 1cxl h MET 243 N 0.15 0.49 -0.51 1.11 2.86 -0.36 -1.39 114.93 117.28 1cxl h MET 243 Ca 0.04 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1cxl h MET 243 Cb 0.63 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1cxl h MET 243 CO 0.03 0.50 -0.07 0.00 1.06 0.00 0.00 176.91 178.43 1cxl h ALA 244 N 1.56 0.70 -0.47 6.32 0.00 -0.79 0.11 119.26 126.68 1cxl h ALA 244 Ca 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1cxl h ALA 244 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cxl h ALA 244 CO 0.01 0.58 0.28 0.00 0.00 0.00 0.00 179.25 180.12 1cxl h ALA 245 N 0.92 0.60 0.33 0.00 0.00 -0.45 0.14 119.26 120.80 1cxl h ALA 245 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1cxl h ALA 245 Cb 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1cxl h ALA 245 CO 0.04 -0.02 -0.16 0.28 0.00 0.00 0.00 179.25 179.39 1cxl h VAL 246 N 0.57 0.69 -0.26 0.00 2.07 -1.05 -2.99 116.25 115.28 1cxl h VAL 246 Ca 0.19 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1cxl h VAL 246 Cb 0.01 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1cxl h VAL 246 CO -0.08 0.07 0.03 0.78 0.02 0.00 0.00 177.57 178.38 1cxl h ASN 247 N -0.63 0.34 -0.05 0.57 2.35 -0.62 0.11 115.58 117.66 1cxl h ASN 247 Ca -0.05 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1cxl h ASN 247 Cb 0.45 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1cxl h ASN 247 CO 0.07 0.38 0.00 0.59 -1.65 0.00 0.00 177.43 176.83 1cxl n ASN 248 N -4.36 0.86 0.00 5.81 3.02 0.46 -4.12 115.26 116.93 1cxl n ASN 248 Ca 0.01 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 1cxl n ASN 248 Cb 0.19 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1cxl n ASN 248 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cxl n TYR 249 N -0.28 0.00 -3.42 3.10 9.36 -0.68 -5.02 117.16 120.23 1cxl n TYR 249 Ca 0.18 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.15 1cxl n TYR 249 Cb 0.23 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.83 1cxl n TYR 249 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1cxl s LYS 250 N -0.40 0.61 0.25 2.98 1.02 0.31 -5.09 119.74 119.43 1cxl s LYS 250 Ca 0.00 -1.30 -0.30 0.00 0.02 0.00 0.00 55.97 54.39 1cxl s LYS 250 Cb 0.00 -1.16 -0.11 0.00 -0.52 0.00 0.00 37.83 36.05 1cxl s LYS 250 CO 0.00 -1.23 1.52 -1.25 -0.92 0.00 0.00 175.35 173.47 1cxl s PRO 251 N 1.05 4.20 0.01 -1.68 0.04 -1.13 -4.64 135.00 132.86 1cxl s PRO 251 Ca 0.19 2.42 -0.00 0.00 0.04 0.00 0.00 61.00 63.65 1cxl s PRO 251 Cb -0.18 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1cxl s PRO 251 CO -0.02 -0.53 -0.01 0.14 0.04 0.00 0.00 177.00 176.62 1cxl s VAL 252 N 0.16 0.07 -0.13 -0.36 -7.23 -1.26 -4.68 120.40 106.97 1cxl s VAL 252 Ca 0.62 -0.61 -0.37 0.00 -1.81 0.00 0.00 61.98 59.81 1cxl s VAL 252 Cb -0.44 -0.19 -0.14 0.00 0.56 0.00 0.00 36.38 36.16 1cxl s VAL 252 CO 0.43 -0.34 1.73 0.33 -0.31 0.00 0.00 175.10 176.95 1cxl n PHE 253 N 2.06 2.10 -4.60 2.82 7.35 0.63 -4.70 117.46 123.13 1cxl n PHE 253 Ca -0.20 0.34 -0.23 0.00 -0.76 0.00 0.00 57.45 56.59 1cxl n PHE 253 Cb 0.57 -2.52 -0.16 0.00 0.35 0.00 0.00 39.48 37.71 1cxl n PHE 253 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1cxl s THR 254 N 3.15 1.10 -0.01 -2.13 2.01 -1.26 -0.52 115.64 117.98 1cxl s THR 254 Ca 0.93 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.43 1cxl s THR 254 Cb -0.89 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 1cxl s THR 254 CO 0.56 0.33 -0.06 0.72 -0.69 0.00 0.00 174.62 175.48 1cxl s PHE 255 N 0.25 0.60 0.17 4.92 -0.71 0.03 -1.52 117.98 121.72 1cxl s PHE 255 Ca -0.06 -0.12 0.06 0.00 -1.04 0.00 0.00 56.93 55.77 1cxl s PHE 255 Cb -0.11 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.26 1cxl s PHE 255 CO 0.02 -0.02 0.12 0.20 -1.34 0.00 0.00 175.22 174.20 1cxl s GLY 256 N -0.07 1.69 -0.44 1.99 0.00 0.15 0.17 107.32 110.82 1cxl s GLY 256 Ca 0.01 -1.25 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 1cxl s GLY 256 CO -0.00 -1.27 0.51 1.62 0.00 0.00 0.00 173.10 173.96 1cxl s GLN 257 N -3.15 3.14 -0.36 2.90 0.74 0.58 -0.76 119.66 122.74 1cxl s GLN 257 Ca 0.31 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 55.01 1cxl s GLN 257 Cb -0.10 -3.99 0.12 0.00 1.10 0.00 0.00 33.01 30.14 1cxl s GLN 257 CO 0.23 -0.95 0.16 -0.46 -0.55 0.00 0.00 175.29 173.71 1cxl s TRP 258 N 2.36 1.84 0.34 1.67 -0.11 -1.26 -1.48 118.94 122.29 1cxl s TRP 258 Ca 0.15 -2.05 -0.29 0.00 1.22 0.00 0.00 56.10 55.13 1cxl s TRP 258 Cb -0.17 -1.78 -0.12 0.00 -1.50 0.00 0.00 33.47 29.90 1cxl s TRP 258 CO 0.14 -0.84 1.45 0.34 -4.62 0.00 0.00 176.95 173.42 1cxl n PHE 259 N 4.27 2.68 -4.50 5.86 7.35 -1.26 -4.72 117.46 127.15 1cxl n PHE 259 Ca 0.03 0.44 -0.22 0.00 -0.76 0.00 0.00 57.45 56.93 1cxl n PHE 259 Cb 0.39 -2.51 -0.16 0.00 0.35 0.00 0.00 39.48 37.55 1cxl n PHE 259 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1cxl s LEU 260 N -1.22 1.73 0.82 -2.13 1.43 -1.26 -5.08 118.68 112.96 1cxl s LEU 260 Ca 0.57 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1cxl s LEU 260 Cb -0.52 -0.68 0.16 0.00 0.03 0.00 0.00 46.19 45.18 1cxl s LEU 260 CO 0.59 0.06 1.12 -0.83 0.23 0.00 0.00 176.35 177.52 1cxl s GLY 261 N 0.34 1.77 0.17 -3.19 0.00 -1.26 -4.84 107.32 100.31 1cxl s GLY 261 Ca -0.07 -1.61 -0.33 0.00 0.00 0.00 0.00 44.72 42.71 1cxl s GLY 261 CO 0.02 -0.95 1.54 -0.62 0.00 0.00 0.00 173.10 173.09 1cxl n VAL 262 N -3.18 0.16 -0.90 1.40 0.31 -1.26 -1.16 118.33 113.69 1cxl n VAL 262 Ca 0.16 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1cxl n VAL 262 Cb 0.60 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 1cxl n VAL 262 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1cxl n ASN 263 N 3.18 -3.24 -4.68 4.52 3.02 -1.26 -4.97 115.26 111.84 1cxl n ASN 263 Ca 0.16 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.31 1cxl n ASN 263 Cb 0.29 -2.04 -0.05 0.00 -0.61 0.00 0.00 39.78 37.37 1cxl n ASN 263 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1cxl s GLU 264 N -1.01 4.29 -0.22 3.52 2.12 -0.31 -5.02 118.70 122.08 1cxl s GLU 264 Ca 0.00 0.82 0.01 0.00 0.36 0.00 0.00 54.97 56.16 1cxl s GLU 264 Cb 0.00 -3.55 0.05 0.00 0.26 0.00 0.00 34.13 30.89 1cxl s GLU 264 CO 0.00 -0.20 -0.09 0.08 -0.54 0.00 0.00 175.26 174.51 1cxl s VAL 265 N 1.74 1.70 -0.26 3.70 1.01 -1.26 -4.73 120.40 122.30 1cxl s VAL 265 Ca 0.34 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1cxl s VAL 265 Cb -0.16 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1cxl s VAL 265 CO 0.13 0.06 0.01 -0.55 0.00 0.00 0.00 175.10 174.74 1cxl s SER 266 N 1.35 4.67 0.41 3.32 0.15 -1.26 -4.98 113.70 117.36 1cxl s SER 266 Ca -0.04 -0.68 0.10 0.00 0.70 0.00 0.00 55.95 56.04 1cxl s SER 266 Cb -0.18 -1.78 0.87 0.00 -1.71 0.00 0.00 66.02 63.23 1cxl s SER 266 CO -0.07 -0.13 1.97 -0.65 1.20 0.00 0.00 173.24 175.56 1cxl h PRO 267 N 8.13 0.24 -0.67 5.44 0.11 -1.99 -1.37 132.00 141.90 1cxl h PRO 267 Ca -0.34 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 1cxl h PRO 267 Cb 1.13 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1cxl h PRO 267 CO 0.59 0.32 0.16 1.49 -0.21 0.00 0.00 178.00 180.35 1cxl h GLU 268 N 0.24 1.07 -0.57 1.05 4.81 -1.99 -0.35 114.58 118.85 1cxl h GLU 268 Ca 0.05 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1cxl h GLU 268 Cb 0.25 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1cxl h GLU 268 CO 0.01 0.96 0.20 -0.97 -0.73 0.00 0.00 179.01 178.48 1cxl h ASN 269 N 1.00 0.80 -0.07 1.04 -1.24 -1.72 -0.93 115.58 114.47 1cxl h ASN 269 Ca 0.21 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1cxl h ASN 269 Cb 0.37 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 1cxl h ASN 269 CO 0.00 0.78 0.04 0.45 -1.29 0.00 0.00 177.43 177.41 1cxl h HIS 270 N 0.78 0.08 -0.91 0.67 3.86 -0.87 -1.52 115.15 117.24 1cxl h HIS 270 Ca 0.19 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 1cxl h HIS 270 Cb 0.24 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.63 1cxl h HIS 270 CO 0.01 0.07 0.59 -0.22 0.86 0.00 0.00 177.93 179.24 1cxl h LYS 271 N 0.07 1.08 -0.11 2.45 3.64 -0.89 0.84 116.57 123.65 1cxl h LYS 271 Ca 0.02 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1cxl h LYS 271 Cb 0.01 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1cxl h LYS 271 CO -0.00 0.72 0.05 0.35 -2.27 0.00 0.00 179.45 178.29 1cxl h PHE 272 N 1.12 0.17 -0.11 1.91 3.04 -0.89 0.15 116.94 122.33 1cxl h PHE 272 Ca 0.38 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.27 1cxl h PHE 272 Cb 0.06 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 1cxl h PHE 272 CO -0.02 0.25 -0.14 0.00 -2.02 0.00 0.00 178.31 176.38 1cxl h ALA 273 N 0.90 1.56 0.00 2.41 0.00 -0.86 -0.02 119.26 123.25 1cxl h ALA 273 Ca 0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1cxl h ALA 273 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1cxl h ALA 273 CO -0.00 0.32 -0.37 -0.91 0.00 0.00 0.00 179.25 178.28 1cxl h ASN 274 N 0.16 0.00 0.00 0.00 2.35 -0.31 -3.40 115.58 114.38 1cxl h ASN 274 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1cxl h ASN 274 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1cxl h ASN 274 CO 0.02 0.28 0.00 -0.62 -1.65 0.00 0.00 177.43 175.46 1cxl n GLU 275 N -3.13 0.46 0.12 0.81 1.02 0.48 -4.83 120.64 115.57 1cxl n GLU 275 Ca 0.02 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1cxl n GLU 275 Cb 0.65 -0.55 0.04 0.00 -0.02 0.00 0.00 31.44 31.56 1cxl n GLU 275 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1cxl h SER 276 N 0.00 0.00 0.00 1.62 4.64 -1.18 -3.47 113.55 115.16 1cxl h SER 276 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cxl h SER 276 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1cxl h SER 276 CO 0.00 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1cxl n GLY 277 N 1.06 0.72 3.12 -0.77 0.00 -1.26 -4.14 105.19 103.91 1cxl n GLY 277 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1cxl n GLY 277 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1cxl s MET 278 N -0.88 0.68 0.00 1.61 0.23 -1.26 -4.88 119.30 114.81 1cxl s MET 278 Ca 0.00 -1.23 0.00 0.00 -1.03 0.00 0.00 55.69 53.43 1cxl s MET 278 Cb 0.00 0.02 0.00 0.00 -1.53 0.00 0.00 34.83 33.32 1cxl s MET 278 CO 0.00 -0.07 0.00 -1.13 -2.03 0.00 0.00 175.02 171.79 1cxl n SER 279 N 0.15 0.00 -4.17 -1.18 3.41 -0.58 -4.50 113.62 106.76 1cxl n SER 279 Ca -0.14 -0.89 -0.10 0.00 -0.26 0.00 0.00 58.87 57.48 1cxl n SER 279 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1cxl n SER 279 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cxl s LEU 280 N 0.00 2.41 0.11 1.04 1.43 -1.26 -0.67 118.68 121.74 1cxl s LEU 280 Ca 0.00 -1.04 -0.31 0.00 -1.03 0.00 0.00 54.13 51.75 1cxl s LEU 280 Cb 0.00 -0.01 -0.08 0.00 0.03 0.00 0.00 46.19 46.14 1cxl s LEU 280 CO 0.00 -0.52 1.37 -0.76 0.23 0.00 0.00 176.35 176.67 1cxl s LEU 281 N -3.04 4.37 -1.33 1.79 1.43 0.06 -1.29 118.68 120.66 1cxl s LEU 281 Ca 0.13 2.28 -0.17 0.00 -1.03 0.00 0.00 54.13 55.35 1cxl s LEU 281 Cb 0.06 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1cxl s LEU 281 CO -0.04 -0.63 1.91 -0.67 0.23 0.00 0.00 176.35 177.15 1cxl n ASP 282 N 3.99 4.45 -0.06 2.29 -0.08 0.14 -4.73 116.55 122.55 1cxl n ASP 282 Ca 0.11 -2.88 -0.02 0.00 -1.51 0.00 0.00 54.79 50.49 1cxl n ASP 282 Cb 0.43 -1.70 0.23 0.00 2.34 0.00 0.00 41.12 42.41 1cxl n ASP 282 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1cxl h PHE 283 N 7.15 0.69 -0.64 -0.67 -1.00 -1.86 -0.78 116.94 119.84 1cxl h PHE 283 Ca 0.48 -0.08 0.04 0.00 2.81 0.00 0.00 57.97 61.22 1cxl h PHE 283 Cb 0.79 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 40.11 1cxl h PHE 283 CO 1.43 0.65 0.37 -0.09 -1.61 0.00 0.00 178.31 179.06 1cxl h ARG 284 N 0.63 0.68 0.06 1.51 2.43 -1.87 0.19 114.38 118.01 1cxl h ARG 284 Ca 0.13 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1cxl h ARG 284 Cb 0.37 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1cxl h ARG 284 CO 0.01 0.45 -0.03 0.35 -1.51 0.00 0.00 179.97 179.24 1cxl h PHE 285 N 0.70 -0.08 -0.26 2.20 3.04 -1.85 -2.41 116.94 118.29 1cxl h PHE 285 Ca 0.27 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.25 1cxl h PHE 285 Cb 0.11 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1cxl h PHE 285 CO -0.07 0.27 0.06 0.00 -2.02 0.00 0.00 178.31 176.56 1cxl h ALA 286 N 0.46 0.28 -0.70 2.41 0.00 -0.82 0.19 119.26 121.09 1cxl h ALA 286 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cxl h ALA 286 Cb 0.39 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1cxl h ALA 286 CO 0.01 -0.35 0.40 1.96 0.00 0.00 0.00 179.25 181.27 1cxl h GLN 287 N 0.17 0.96 -0.54 0.00 1.08 -0.68 -0.83 115.11 115.28 1cxl h GLN 287 Ca 0.12 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1cxl h GLN 287 Cb 0.11 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1cxl h GLN 287 CO -0.14 0.70 0.06 -0.22 -0.95 0.00 0.00 178.83 178.28 1cxl h LYS 288 N 0.95 0.92 -0.90 1.46 1.63 -1.11 -1.53 116.57 117.99 1cxl h LYS 288 Ca 0.25 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1cxl h LYS 288 Cb 0.01 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 1cxl h LYS 288 CO -0.04 0.90 0.59 0.28 -3.45 0.00 0.00 179.45 177.73 1cxl h VAL 289 N 0.80 1.22 -0.64 2.00 2.07 -0.60 -1.03 116.25 120.07 1cxl h VAL 289 Ca 0.16 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1cxl h VAL 289 Cb 0.45 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1cxl h VAL 289 CO 0.02 0.22 0.07 0.03 0.02 0.00 0.00 177.57 177.92 1cxl h ARG 290 N 1.21 1.08 -0.37 1.57 3.08 -0.86 -0.27 114.38 119.82 1cxl h ARG 290 Ca 0.33 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1cxl h ARG 290 Cb -0.12 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1cxl h ARG 290 CO -0.08 1.02 0.19 1.96 -1.07 0.00 0.00 179.97 181.99 1cxl h GLN 291 N 0.99 0.52 -0.08 0.04 4.20 -0.66 0.18 115.11 120.31 1cxl h GLN 291 Ca 0.19 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 1cxl h GLN 291 Cb 0.49 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1cxl h GLN 291 CO 0.02 0.45 -0.22 0.28 -0.67 0.00 0.00 178.83 178.69 1cxl h VAL 292 N 0.46 1.42 0.00 -0.54 2.07 -1.08 0.11 116.25 118.68 1cxl h VAL 292 Ca 0.13 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 1cxl h VAL 292 Cb 0.09 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1cxl h VAL 292 CO -0.02 0.45 -1.98 0.49 0.02 0.00 0.00 177.57 176.53 1cxl n PHE 293 N -4.52 0.00 -0.06 1.57 3.72 -0.12 -4.49 117.46 113.55 1cxl n PHE 293 Ca -0.08 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.22 1cxl n PHE 293 Cb 0.43 -0.54 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 1cxl n PHE 293 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1cxl n ARG 294 N -2.28 0.37 0.00 -1.08 0.63 -0.05 -4.81 116.66 109.43 1cxl n ARG 294 Ca -0.08 0.15 0.12 0.00 -0.92 0.00 0.00 57.85 57.12 1cxl n ARG 294 Cb 0.62 -1.14 0.15 0.00 0.45 0.00 0.00 32.46 32.54 1cxl n ARG 294 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1cxl n ASP 295 N -4.05 1.49 -3.77 6.15 8.00 0.45 -5.00 116.55 119.81 1cxl n ASP 295 Ca -0.18 -1.18 -0.23 0.00 0.71 0.00 0.00 54.79 53.91 1cxl n ASP 295 Cb 0.48 0.37 0.02 0.00 -0.02 0.00 0.00 41.12 41.97 1cxl n ASP 295 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1cxl n ASN 296 N -0.44 -1.40 -0.28 -2.24 5.15 0.17 -4.88 115.26 111.34 1cxl n ASN 296 Ca 0.10 -0.85 0.03 0.00 -0.60 0.00 0.00 54.58 53.26 1cxl n ASN 296 Cb 0.41 -3.84 0.04 0.00 -0.53 0.00 0.00 39.78 35.85 1cxl n ASN 296 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1cxl n THR 297 N -4.34 0.23 -3.60 -0.44 -2.24 -0.01 -5.01 114.28 98.86 1cxl n THR 297 Ca -0.26 -0.61 -0.11 0.00 -2.27 0.00 0.00 64.05 60.80 1cxl n THR 297 Cb 0.66 0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 1cxl n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cxl s ASP 298 N -0.63 -0.32 0.12 3.42 -1.08 -1.20 -4.97 116.67 112.01 1cxl s ASP 298 Ca 0.09 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 1cxl s ASP 298 Cb 0.06 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 42.04 1cxl s ASP 298 CO 0.08 -0.92 0.03 -0.46 0.52 0.00 0.00 175.17 174.42 1cxl n ASN 299 N -0.29 2.05 -0.10 -0.34 0.23 -1.26 -4.03 115.26 111.52 1cxl n ASN 299 Ca -0.15 -1.49 0.15 0.00 -0.53 0.00 0.00 54.58 52.56 1cxl n ASN 299 Cb 0.64 0.05 0.54 0.00 -2.08 0.00 0.00 39.78 38.93 1cxl n ASN 299 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1cxl h MET 300 N 0.00 0.33 -0.32 -3.83 2.86 -1.43 0.08 114.93 112.62 1cxl h MET 300 Ca -0.09 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1cxl h MET 300 Cb 0.29 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1cxl h MET 300 CO 0.15 0.22 0.08 1.88 1.06 0.00 0.00 176.91 180.29 1cxl h TYR 301 N 0.34 0.46 -0.18 -0.22 0.05 -1.82 0.22 116.97 115.83 1cxl h TYR 301 Ca 0.30 -0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.89 1cxl h TYR 301 Cb 0.73 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 1cxl h TYR 301 CO -0.00 0.41 -0.60 0.78 -1.05 0.00 0.00 178.16 177.70 1cxl h GLY 302 N 0.69 0.65 0.89 3.88 0.00 -1.38 -0.71 103.07 107.09 1cxl h GLY 302 Ca 0.11 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 1cxl h GLY 302 CO -0.00 0.71 0.01 -2.00 0.00 0.00 0.00 176.54 175.25 1cxl h LEU 303 N 0.44 0.54 -0.50 3.11 5.85 -0.84 -1.31 115.31 122.60 1cxl h LEU 303 Ca -0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1cxl h LEU 303 Cb 1.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1cxl h LEU 303 CO 0.11 0.71 0.27 0.50 -0.34 0.00 0.00 178.44 179.69 1cxl h LYS 304 N 0.35 0.70 -0.72 1.25 3.64 -0.53 -1.43 116.57 119.83 1cxl h LYS 304 Ca 0.09 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1cxl h LYS 304 Cb 0.43 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1cxl h LYS 304 CO 0.01 0.56 0.39 0.00 -2.27 0.00 0.00 179.45 178.14 1cxl h ALA 305 N 1.11 1.34 -0.50 5.00 0.00 -0.94 -0.46 119.26 124.81 1cxl h ALA 305 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1cxl h ALA 305 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1cxl h ALA 305 CO -0.03 0.54 0.09 1.98 0.00 0.00 0.00 179.25 181.83 1cxl h MET 306 N 1.00 0.82 -0.28 0.00 1.85 -0.87 0.61 114.93 118.06 1cxl h MET 306 Ca 0.25 -0.21 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1cxl h MET 306 Cb 0.02 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.94 1cxl h MET 306 CO -0.04 0.81 0.14 -0.07 -0.40 0.00 0.00 176.91 177.35 1cxl h LEU 307 N 0.69 0.36 -0.24 3.39 3.38 -0.64 -0.22 115.31 122.03 1cxl h LEU 307 Ca 0.15 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1cxl h LEU 307 Cb 0.38 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1cxl h LEU 307 CO 0.01 0.37 -0.16 -0.33 0.09 0.00 0.00 178.44 178.43 1cxl h GLU 308 N 0.32 0.53 -0.14 1.13 5.08 -1.03 -2.21 114.58 118.26 1cxl h GLU 308 Ca 0.10 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1cxl h GLU 308 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1cxl h GLU 308 CO -0.01 0.82 0.02 0.78 -1.00 0.00 0.00 179.01 179.61 1cxl h GLY 309 N 0.24 0.26 1.02 -3.84 0.00 -0.85 -2.86 103.07 97.04 1cxl h GLY 309 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1cxl h GLY 309 CO 0.04 0.16 0.57 1.48 0.00 0.00 0.00 176.54 178.80 1cxl h SER 310 N 0.01 1.09 0.09 0.19 4.64 -1.08 0.21 113.55 118.70 1cxl h SER 310 Ca 0.04 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1cxl h SER 310 Cb 0.31 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1cxl h SER 310 CO 0.00 0.82 -0.06 0.00 -0.87 0.00 0.00 176.83 176.72 1cxl h ALA 311 N 1.31 1.72 0.09 5.18 0.00 -1.31 -0.66 119.26 125.59 1cxl h ALA 311 Ca 0.33 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.87 1cxl h ALA 311 Cb -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1cxl h ALA 311 CO -0.07 0.08 -1.68 0.00 0.00 0.00 0.00 179.25 177.58 1cxl h ALA 312 N 1.94 0.45 -0.05 0.00 0.00 -1.02 -3.39 119.26 117.18 1cxl h ALA 312 Ca -0.00 -1.27 -0.24 0.00 0.00 0.00 0.00 54.91 53.40 1cxl h ALA 312 Cb 0.13 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1cxl h ALA 312 CO 0.01 1.30 -0.91 -0.44 0.00 0.00 0.00 179.25 179.21 1cxl h ASP 313 N 0.05 0.78 -3.69 0.00 3.32 -0.16 -3.43 116.42 113.29 1cxl h ASP 313 Ca -0.29 -0.58 -0.63 0.00 0.02 0.00 0.00 57.03 55.55 1cxl h ASP 313 Cb 2.01 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 41.18 1cxl h ASP 313 CO 0.12 1.38 -0.19 -0.31 -1.72 0.00 0.00 179.24 178.52 1cxl s TYR 314 N -3.46 3.25 0.26 4.55 2.02 -0.30 -4.86 117.35 118.81 1cxl s TYR 314 Ca -0.08 0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 57.06 1cxl s TYR 314 Cb 0.08 -2.60 0.48 0.00 -0.40 0.00 0.00 41.96 39.52 1cxl s TYR 314 CO 0.90 -0.24 1.82 0.00 -1.57 0.00 0.00 175.55 176.45 1cxl h ALA 315 N 8.14 1.34 -2.62 3.71 0.00 -1.87 -3.04 119.26 124.91 1cxl h ALA 315 Ca -0.31 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.02 1cxl h ALA 315 Cb 1.16 -0.16 -0.42 0.00 0.00 0.00 0.00 17.79 18.37 1cxl h ALA 315 CO 0.66 0.14 -0.60 1.04 0.00 0.00 0.00 179.25 180.49 1cxl n GLN 316 N -4.70 2.12 0.19 0.00 3.00 -1.26 -4.91 117.38 111.83 1cxl n GLN 316 Ca 0.16 -4.53 0.12 0.00 -0.01 0.00 0.00 57.00 52.74 1cxl n GLN 316 Cb 0.33 -2.24 0.67 0.00 0.00 0.00 0.00 30.24 29.00 1cxl n GLN 316 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1cxl h VAL 317 N 3.76 0.89 0.00 5.09 3.04 -1.84 -1.65 116.25 125.53 1cxl h VAL 317 Ca 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 1cxl h VAL 317 Cb 0.71 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1cxl h VAL 317 CO 0.76 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.79 1cxl n ASP 318 N -4.43 0.00 -0.05 3.17 8.00 -1.26 -1.93 116.55 120.04 1cxl n ASP 318 Ca 0.00 0.39 0.11 0.00 0.71 0.00 0.00 54.79 56.00 1cxl n ASP 318 Cb 0.23 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1cxl n ASP 318 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1cxl n ASP 319 N -1.44 0.97 -4.72 -2.24 8.00 -0.62 -4.00 116.55 112.50 1cxl n ASP 319 Ca 0.04 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 1cxl n ASP 319 Cb 0.12 0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 1cxl n ASP 319 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cxl s GLN 320 N -2.93 4.44 -0.49 -1.24 -1.52 -0.81 -4.47 119.66 112.63 1cxl s GLN 320 Ca 0.10 1.85 -0.22 0.00 -1.95 0.00 0.00 55.36 55.14 1cxl s GLN 320 Cb 0.17 -3.29 0.04 0.00 -0.22 0.00 0.00 33.01 29.70 1cxl s GLN 320 CO 0.79 -0.21 0.76 0.08 -0.25 0.00 0.00 175.29 176.45 1cxl s VAL 321 N 0.62 4.67 0.50 1.09 1.01 -0.41 -0.95 120.40 126.94 1cxl s VAL 321 Ca 0.57 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 1cxl s VAL 321 Cb -0.32 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1cxl s VAL 321 CO 0.32 -0.83 0.88 0.42 0.00 0.00 0.00 175.10 175.89 1cxl s THR 322 N 3.21 4.76 0.09 3.92 -4.23 -0.06 0.26 115.64 123.59 1cxl s THR 322 Ca 0.25 0.66 -0.27 0.00 -1.18 0.00 0.00 61.69 61.15 1cxl s THR 322 Cb -0.14 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 69.97 1cxl s THR 322 CO 0.18 -0.82 0.99 0.72 -0.54 0.00 0.00 174.62 175.15 1cxl s PHE 323 N -2.74 -0.17 -0.21 3.99 -0.71 -1.26 -0.39 117.98 116.50 1cxl s PHE 323 Ca 0.52 -0.07 0.06 0.00 -1.04 0.00 0.00 56.93 56.41 1cxl s PHE 323 Cb -0.10 0.60 -0.08 0.00 -1.21 0.00 0.00 43.02 42.23 1cxl s PHE 323 CO 0.41 -0.68 0.23 0.44 -1.34 0.00 0.00 175.22 174.28 1cxl n ILE 324 N -0.41 0.00 -3.88 -4.49 -5.35 -1.26 -3.93 119.36 100.03 1cxl n ILE 324 Ca -0.07 -0.29 -0.03 0.00 -0.27 0.00 0.00 62.75 62.10 1cxl n ILE 324 Cb 0.61 0.80 0.02 0.00 -1.74 0.00 0.00 39.64 39.32 1cxl n ILE 324 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1cxl s ASP 325 N -1.97 -0.00 0.15 7.28 1.47 -1.26 -4.62 116.67 117.72 1cxl s ASP 325 Ca 0.01 -0.62 -0.15 0.00 1.18 0.00 0.00 52.55 52.97 1cxl s ASP 325 Cb 0.05 0.47 0.05 0.00 -0.34 0.00 0.00 42.92 43.15 1cxl s ASP 325 CO 0.27 -0.93 0.72 -0.46 0.68 0.00 0.00 175.17 175.45 1cxl n ASN 326 N -1.17 -1.29 0.00 2.11 0.23 -1.26 -4.63 115.26 109.25 1cxl n ASN 326 Ca -0.03 -1.71 0.09 0.00 -0.53 0.00 0.00 54.58 52.40 1cxl n ASN 326 Cb 0.59 2.10 0.46 0.00 -2.08 0.00 0.00 39.78 40.86 1cxl n ASN 326 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cxl n HIS 327 N -0.50 0.00 -0.39 -2.53 1.44 -1.26 -2.64 115.22 109.33 1cxl n HIS 327 Ca -0.02 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.74 1cxl n HIS 327 Cb 0.42 -0.21 0.15 0.00 0.12 0.00 0.00 29.99 30.47 1cxl n HIS 327 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1cxl n ASP 328 N -1.21 2.91 -3.84 4.39 8.00 -1.26 -4.64 116.55 120.90 1cxl n ASP 328 Ca 0.10 -2.31 -0.09 0.00 0.71 0.00 0.00 54.79 53.19 1cxl n ASP 328 Cb 0.12 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 1cxl n ASP 328 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cxl s MET 329 N -1.55 0.98 0.46 -1.24 0.23 -1.08 -4.91 119.30 112.19 1cxl s MET 329 Ca 0.23 -0.96 -0.25 0.00 -1.03 0.00 0.00 55.69 53.68 1cxl s MET 329 Cb 0.16 0.38 -0.08 0.00 -1.53 0.00 0.00 34.83 33.76 1cxl s MET 329 CO 0.10 -0.34 1.41 -1.21 -2.03 0.00 0.00 175.02 172.95 1cxl s GLU 330 N -3.88 3.63 0.53 3.16 2.02 -1.26 -4.52 118.70 118.38 1cxl s GLU 330 Ca 0.08 2.38 -0.22 0.00 0.02 0.00 0.00 54.97 57.22 1cxl s GLU 330 Cb 0.04 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 1cxl s GLU 330 CO -0.08 -0.85 1.31 0.54 0.02 0.00 0.00 175.26 176.20 1cxl n ARG 331 N -0.29 1.68 0.00 1.61 1.74 0.37 -4.74 116.66 117.04 1cxl n ARG 331 Ca 0.06 0.61 -0.09 0.00 -0.77 0.00 0.00 57.85 57.66 1cxl n ARG 331 Cb 0.42 -2.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.33 1cxl n ARG 331 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1cxl h PHE 332 N 1.49 -0.37 -3.00 -1.55 3.04 -1.86 -3.41 116.94 111.28 1cxl h PHE 332 Ca -0.50 0.02 -0.57 0.00 3.98 0.00 0.00 57.97 60.90 1cxl h PHE 332 Cb 1.31 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.95 1cxl h PHE 332 CO 0.45 -0.21 0.94 -1.58 -2.02 0.00 0.00 178.31 175.89 1cxl s HIS 333 N -6.15 2.76 0.03 0.41 2.46 -1.26 -5.00 115.29 108.55 1cxl s HIS 333 Ca -0.14 0.94 -0.20 0.00 0.47 0.00 0.00 55.06 56.12 1cxl s HIS 333 Cb 0.10 -3.68 -0.06 0.00 -0.13 0.00 0.00 32.58 28.81 1cxl s HIS 333 CO 0.68 -1.74 0.59 0.00 -2.47 0.00 0.00 174.74 171.79 1cxl s ALA 334 N 3.91 3.53 0.48 1.58 0.00 -1.26 -4.21 121.76 125.79 1cxl s ALA 334 Ca 0.56 0.04 0.32 0.00 0.00 0.00 0.00 51.96 52.88 1cxl s ALA 334 Cb -0.20 -2.70 1.43 0.00 0.00 0.00 0.00 23.12 21.65 1cxl s ALA 334 CO 0.18 0.27 1.72 0.66 0.00 0.00 0.00 175.76 178.60 1cxl h SER 335 N 5.12 0.18 -0.63 0.00 4.64 -1.94 0.25 113.55 121.17 1cxl h SER 335 Ca -0.47 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1cxl h SER 335 Cb 1.21 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1cxl h SER 335 CO 0.67 -0.02 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 1cxl n ASN 336 N -4.39 3.88 -4.93 4.97 6.94 -1.26 -4.99 115.26 115.48 1cxl n ASN 336 Ca 0.31 -2.10 -0.25 0.00 -0.02 0.00 0.00 54.58 52.51 1cxl n ASN 336 Cb 1.30 -0.45 -0.00 0.00 -2.36 0.00 0.00 39.78 38.27 1cxl n ASN 336 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cxl s ALA 337 N -1.19 3.57 0.05 -2.53 0.00 0.87 -5.03 121.76 117.51 1cxl s ALA 337 Ca 0.44 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 1cxl s ALA 337 Cb 0.24 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 1cxl s ALA 337 CO 0.27 -0.23 1.33 1.21 0.00 0.00 0.00 175.76 178.34 1cxl s ASN 338 N -4.10 6.92 0.58 0.00 3.84 -1.26 -4.89 114.94 116.03 1cxl s ASN 338 Ca 0.44 2.13 0.28 0.00 0.21 0.00 0.00 52.86 55.93 1cxl s ASN 338 Cb -0.10 -2.57 1.77 0.00 -0.55 0.00 0.00 41.25 39.80 1cxl s ASN 338 CO 0.40 -0.62 2.25 0.03 -2.79 0.00 0.00 177.10 176.37 1cxl h ARG 339 N 7.17 0.00 -0.25 0.43 3.08 -1.95 -2.46 114.38 120.40 1cxl h ARG 339 Ca -0.40 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.70 1cxl h ARG 339 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1cxl h ARG 339 CO 0.86 0.00 0.18 -0.09 -1.07 0.00 0.00 179.97 179.85 1cxl h ARG 340 N 0.00 0.11 -0.39 0.04 9.65 -1.99 -1.77 114.38 120.03 1cxl h ARG 340 Ca -0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1cxl h ARG 340 Cb 0.00 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 1cxl h ARG 340 CO 0.00 0.07 0.25 0.87 2.80 0.00 0.00 179.97 183.96 1cxl h LYS 341 N 0.11 0.53 -0.16 0.20 1.57 -1.75 0.45 116.57 117.52 1cxl h LYS 341 Ca 0.11 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1cxl h LYS 341 Cb 0.31 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1cxl h LYS 341 CO -0.01 0.38 0.02 1.25 -0.57 0.00 0.00 179.45 180.51 1cxl h LEU 342 N 0.52 0.25 -0.81 2.94 5.85 -1.53 -1.99 115.31 120.55 1cxl h LEU 342 Ca 0.14 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1cxl h LEU 342 Cb -0.02 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1cxl h LEU 342 CO -0.03 0.46 0.48 -0.33 -0.34 0.00 0.00 178.44 178.68 1cxl h GLU 343 N 0.04 0.83 -0.24 1.25 5.08 -1.11 -0.74 114.58 119.69 1cxl h GLU 343 Ca 0.05 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1cxl h GLU 343 Cb 0.32 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1cxl h GLU 343 CO 0.00 0.55 -0.07 1.96 -1.00 0.00 0.00 179.01 180.45 1cxl h GLN 344 N 0.85 0.47 -0.84 2.33 4.20 -0.83 -1.01 115.11 120.28 1cxl h GLN 344 Ca 0.37 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.94 1cxl h GLN 344 Cb 0.25 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 1cxl h GLN 344 CO -0.20 0.71 0.55 0.00 -0.67 0.00 0.00 178.83 179.22 1cxl h ALA 345 N 0.75 1.51 0.01 3.87 0.00 -0.92 0.16 119.26 124.64 1cxl h ALA 345 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cxl h ALA 345 Cb 0.54 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1cxl h ALA 345 CO 0.03 0.40 -0.01 1.25 0.00 0.00 0.00 179.25 180.92 1cxl h LEU 346 N 1.01 -0.01 -1.02 0.00 5.85 -0.98 -0.37 115.31 119.80 1cxl h LEU 346 Ca 0.34 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1cxl h LEU 346 Cb 0.08 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1cxl h LEU 346 CO -0.11 0.26 0.66 0.00 -0.34 0.00 0.00 178.44 178.92 1cxl h ALA 347 N 0.70 1.32 -0.06 1.25 0.00 -0.57 0.45 119.26 122.35 1cxl h ALA 347 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cxl h ALA 347 Cb 0.28 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1cxl h ALA 347 CO 0.00 0.60 0.02 0.35 0.00 0.00 0.00 179.25 180.23 1cxl h PHE 348 N 1.31 0.09 -0.42 0.00 3.57 -0.59 -2.65 116.94 118.26 1cxl h PHE 348 Ca 0.39 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1cxl h PHE 348 Cb -0.07 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1cxl h PHE 348 CO -0.00 0.25 0.26 1.15 -2.23 0.00 0.00 178.31 177.74 1cxl h THR 349 N -0.09 1.12 0.00 4.41 2.02 -0.55 -1.94 112.91 117.88 1cxl h THR 349 Ca 0.02 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1cxl h THR 349 Cb 0.20 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1cxl h THR 349 CO -0.00 0.12 -0.11 -0.07 0.37 0.00 0.00 175.52 175.83 1cxl h LEU 350 N 0.55 0.00 -1.82 2.58 3.38 -0.89 -2.78 115.31 116.34 1cxl h LEU 350 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1cxl h LEU 350 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1cxl h LEU 350 CO -0.03 0.11 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1cxl n THR 351 N -3.76 0.14 -2.94 0.22 -2.24 -1.00 -4.84 114.28 99.85 1cxl n THR 351 Ca -0.02 -0.57 -0.21 0.00 -2.27 0.00 0.00 64.05 60.98 1cxl n THR 351 Cb 0.22 1.23 0.02 0.00 -2.10 0.00 0.00 70.33 69.70 1cxl n THR 351 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1cxl s SER 352 N -1.35 5.63 0.75 3.42 0.01 -0.75 -4.90 113.70 116.52 1cxl s SER 352 Ca 0.22 0.00 -0.14 0.00 1.31 0.00 0.00 55.95 57.34 1cxl s SER 352 Cb 0.15 -1.12 0.05 0.00 0.21 0.00 0.00 66.02 65.31 1cxl s SER 352 CO 0.22 -0.82 1.18 0.00 0.41 0.00 0.00 173.24 174.22 1cxl s ARG 353 N -4.54 2.05 0.00 12.44 3.03 -1.26 -4.81 118.95 125.86 1cxl s ARG 353 Ca 0.52 1.64 0.00 0.00 2.03 0.00 0.00 55.73 59.92 1cxl s ARG 353 Cb -0.10 -1.84 0.00 0.00 -1.03 0.00 0.00 34.95 31.98 1cxl s ARG 353 CO 0.36 -1.87 0.00 0.41 -1.13 0.00 0.00 175.30 173.07 1cxl n GLY 354 N 0.13 0.26 2.72 3.88 0.00 -1.26 -4.86 105.19 106.07 1cxl n GLY 354 Ca 0.12 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1cxl n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cxl s VAL 355 N 0.00 0.64 0.23 1.61 1.01 -0.12 -4.56 120.40 119.20 1cxl s VAL 355 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1cxl s VAL 355 Cb 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 1cxl s VAL 355 CO 0.00 -0.45 1.20 -2.16 0.00 0.00 0.00 175.10 173.69 1cxl s PRO 356 N 1.77 4.50 -0.07 2.72 0.05 -1.26 -0.88 135.00 141.83 1cxl s PRO 356 Ca 0.04 1.92 0.03 0.00 0.05 0.00 0.00 61.00 63.04 1cxl s PRO 356 Cb -0.17 -3.20 0.01 0.00 0.05 0.00 0.00 34.50 31.18 1cxl s PRO 356 CO -0.18 -0.04 -0.17 0.00 0.05 0.00 0.00 177.00 176.66 1cxl s ALA 357 N -0.47 1.60 -0.21 8.56 0.00 0.48 -0.46 121.76 131.27 1cxl s ALA 357 Ca 0.50 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1cxl s ALA 357 Cb -0.34 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 1cxl s ALA 357 CO 0.40 0.20 -0.08 0.42 0.00 0.00 0.00 175.76 176.70 1cxl s ILE 358 N 0.44 3.08 0.08 0.00 1.01 0.14 -4.37 121.20 121.58 1cxl s ILE 358 Ca -0.14 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.61 1cxl s ILE 358 Cb -0.16 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.86 1cxl s ILE 358 CO 0.05 0.45 1.42 -0.47 0.00 0.00 0.00 174.94 176.39 1cxl s TYR 359 N 1.40 3.07 0.17 3.97 5.04 -1.26 -0.06 117.35 129.68 1cxl s TYR 359 Ca 0.05 0.86 -0.32 0.00 -2.44 0.00 0.00 57.07 55.22 1cxl s TYR 359 Cb -0.14 -3.71 -0.16 0.00 0.35 0.00 0.00 41.96 38.30 1cxl s TYR 359 CO -0.05 -2.55 0.95 2.48 -1.34 0.00 0.00 175.55 175.04 1cxl n TYR 360 N 4.45 0.72 -0.03 4.97 4.11 0.18 -1.93 117.16 129.63 1cxl n TYR 360 Ca 0.12 0.82 0.00 0.00 -0.00 0.00 0.00 57.90 58.84 1cxl n TYR 360 Cb 0.42 -2.16 0.00 0.00 -0.00 0.00 0.00 39.34 37.60 1cxl n TYR 360 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1cxl n GLY 361 N 1.80 1.89 0.32 -7.48 0.00 -1.26 -4.89 105.19 95.57 1cxl n GLY 361 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1cxl n GLY 361 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cxl h THR 362 N 0.00 0.86 0.00 2.61 2.02 -1.73 0.14 112.91 116.82 1cxl h THR 362 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1cxl h THR 362 Cb 0.00 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 1cxl h THR 362 CO 0.00 0.15 0.00 -1.84 0.37 0.00 0.00 175.52 174.20 1cxl n GLU 363 N -4.74 0.00 -0.31 6.66 0.00 -1.26 -1.51 120.64 119.48 1cxl n GLU 363 Ca 0.16 0.30 0.08 0.00 0.00 0.00 0.00 57.16 57.70 1cxl n GLU 363 Cb 0.34 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.51 1cxl n GLU 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1cxl n GLN 364 N -1.49 2.97 -2.90 3.44 1.13 0.48 -4.00 117.38 117.00 1cxl n GLN 364 Ca 0.03 -2.39 -0.22 0.00 -1.94 0.00 0.00 57.00 52.48 1cxl n GLN 364 Cb 0.13 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.03 1cxl n GLN 364 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1cxl n TYR 365 N 0.75 -1.77 -2.01 1.08 4.01 -0.57 -4.94 117.16 113.71 1cxl n TYR 365 Ca 0.18 0.43 -0.41 0.00 -0.16 0.00 0.00 57.90 57.94 1cxl n TYR 365 Cb 0.59 -4.34 -0.01 0.00 -0.31 0.00 0.00 39.34 35.26 1cxl n TYR 365 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1cxl s MET 366 N -5.57 4.24 0.26 -0.72 -1.94 -1.10 -4.99 119.30 109.49 1cxl s MET 366 Ca 0.25 2.32 0.08 0.00 -1.71 0.00 0.00 55.69 56.63 1cxl s MET 366 Cb -0.11 -3.01 -0.05 0.00 2.01 0.00 0.00 34.83 33.67 1cxl s MET 366 CO 0.31 -0.33 -0.10 -1.54 -0.01 0.00 0.00 175.02 173.35 1cxl s SER 367 N -0.40 2.84 0.00 3.03 1.04 -1.26 -4.44 113.70 114.51 1cxl s SER 367 Ca 0.51 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1cxl s SER 367 Cb -0.42 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1cxl s SER 367 CO 0.56 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.14 1cxl n GLY 368 N -0.54 3.44 0.00 7.32 0.00 -1.26 -4.85 105.19 109.30 1cxl n GLY 368 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1cxl n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxl n GLY 369 N -0.86 0.38 3.68 -0.02 0.00 -1.26 -0.48 105.19 106.63 1cxl n GLY 369 Ca 0.00 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1cxl n GLY 369 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cxl s THR 370 N 0.32 2.19 -0.08 2.61 -4.23 -1.26 -1.98 115.64 113.22 1cxl s THR 370 Ca 0.00 0.06 -0.40 0.00 -1.18 0.00 0.00 61.69 60.17 1cxl s THR 370 Cb 0.00 -2.14 -0.19 0.00 1.34 0.00 0.00 72.50 71.51 1cxl s THR 370 CO 0.00 -0.08 1.24 -0.67 -0.54 0.00 0.00 174.62 174.57 1cxl n ASP 371 N -4.17 0.62 -1.39 3.99 2.03 -1.26 -0.26 116.55 116.11 1cxl n ASP 371 Ca 0.11 1.15 0.10 0.00 0.52 0.00 0.00 54.79 56.68 1cxl n ASP 371 Cb 0.52 -0.98 0.32 0.00 -0.72 0.00 0.00 41.12 40.27 1cxl n ASP 371 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1cxl n PRO 372 N 2.28 3.03 0.33 -0.67 -0.04 -1.26 -4.93 135.00 133.73 1cxl n PRO 372 Ca 0.22 -2.59 0.21 0.00 -0.04 0.00 0.00 63.50 61.30 1cxl n PRO 372 Cb 0.08 -1.68 1.14 0.00 -0.04 0.00 0.00 33.50 33.01 1cxl n PRO 372 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1cxl h ASP 373 N 4.00 0.00 -0.21 3.54 3.32 -0.79 -0.85 116.42 125.43 1cxl h ASP 373 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cxl h ASP 373 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1cxl h ASP 373 CO 0.09 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.16 1cxl n ASN 374 N -3.22 1.79 -1.67 6.45 0.23 -0.84 -4.21 115.26 113.79 1cxl n ASN 374 Ca -0.03 -1.77 -0.17 0.00 -0.53 0.00 0.00 54.58 52.09 1cxl n ASN 374 Cb 0.09 -0.13 0.07 0.00 -2.08 0.00 0.00 39.78 37.73 1cxl n ASN 374 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1cxl n ARG 375 N 0.41 3.03 -1.45 -3.83 1.74 -0.32 -4.86 116.66 111.38 1cxl n ARG 375 Ca 0.16 -3.89 -0.31 0.00 -0.77 0.00 0.00 57.85 53.04 1cxl n ARG 375 Cb 0.34 -2.11 0.08 0.00 -1.02 0.00 0.00 32.46 29.75 1cxl n ARG 375 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cxl s ALA 376 N -3.51 2.34 0.29 7.54 0.00 -1.26 -4.88 121.76 122.27 1cxl s ALA 376 Ca 0.48 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 1cxl s ALA 376 Cb 0.41 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 20.24 1cxl s ALA 376 CO 0.01 -1.61 1.35 0.50 0.00 0.00 0.00 175.76 176.02 1cxl s ARG 377 N -5.03 4.33 0.10 0.00 3.52 -1.26 -4.89 118.95 115.72 1cxl s ARG 377 Ca 0.60 2.23 -0.33 0.00 -0.13 0.00 0.00 55.73 58.10 1cxl s ARG 377 Cb -0.15 -3.10 -0.12 0.00 -1.56 0.00 0.00 34.95 30.02 1cxl s ARG 377 CO 0.55 -0.28 1.76 1.51 -0.81 0.00 0.00 175.30 178.04 1cxl n ILE 378 N 1.55 0.27 0.63 4.11 3.06 -0.79 -4.86 119.36 123.33 1cxl n ILE 378 Ca 0.03 -0.05 0.13 0.00 -2.50 0.00 0.00 62.75 60.36 1cxl n ILE 378 Cb 0.41 -1.90 0.41 0.00 0.54 0.00 0.00 39.64 39.10 1cxl n ILE 378 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1cxl n PRO 379 N 5.06 0.26 -3.46 9.51 -0.04 -1.26 -4.92 135.00 140.14 1cxl n PRO 379 Ca 0.18 0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1cxl n PRO 379 Cb 0.33 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 1cxl n PRO 379 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cxl s SER 380 N -4.52 -0.57 -0.28 3.54 0.15 -1.26 -5.02 113.70 105.73 1cxl s SER 380 Ca 0.11 0.23 0.07 0.00 0.70 0.00 0.00 55.95 57.06 1cxl s SER 380 Cb 0.12 0.55 0.46 0.00 -1.71 0.00 0.00 66.02 65.44 1cxl s SER 380 CO 0.60 -0.81 1.20 0.49 1.20 0.00 0.00 173.24 175.92 1cxl n PHE 381 N 0.06 2.44 -2.61 3.44 3.72 -1.26 -4.97 117.46 118.28 1cxl n PHE 381 Ca -0.17 -2.14 -0.41 0.00 -0.05 0.00 0.00 57.45 54.68 1cxl n PHE 381 Cb 0.62 -0.34 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 1cxl n PHE 381 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1cxl s SER 382 N -3.54 7.34 0.00 4.37 0.15 -1.26 -4.93 113.70 115.83 1cxl s SER 382 Ca 0.50 1.91 0.26 0.00 0.70 0.00 0.00 55.95 59.32 1cxl s SER 382 Cb 0.41 -2.59 0.73 0.00 -1.71 0.00 0.00 66.02 62.86 1cxl s SER 382 CO 0.03 -0.20 1.56 0.35 1.20 0.00 0.00 173.24 176.17 1cxl n THR 383 N 2.96 0.00 1.50 6.45 -2.24 -1.26 -4.31 114.28 117.38 1cxl n THR 383 Ca 0.04 -0.28 0.14 0.00 -2.27 0.00 0.00 64.05 61.68 1cxl n THR 383 Cb 0.48 0.75 0.56 0.00 -2.10 0.00 0.00 70.33 70.03 1cxl n THR 383 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1cxl n SER 384 N 0.26 1.09 -4.79 3.42 7.64 -1.26 -4.49 113.62 115.48 1cxl n SER 384 Ca 0.16 -1.20 -0.33 0.00 1.01 0.00 0.00 58.87 58.51 1cxl n SER 384 Cb 0.42 0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.65 1cxl n SER 384 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1cxl s THR 385 N -2.15 3.62 0.20 0.44 -4.23 -1.26 -4.92 115.64 107.33 1cxl s THR 385 Ca 0.36 0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 61.56 1cxl s THR 385 Cb 0.21 -3.31 0.13 0.00 1.34 0.00 0.00 72.50 70.87 1cxl s THR 385 CO 0.39 -0.43 1.78 0.74 -0.54 0.00 0.00 174.62 176.56 1cxl h THR 386 N 0.45 1.24 -0.83 3.99 2.02 -1.91 -1.86 112.91 116.00 1cxl h THR 386 Ca -0.47 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1cxl h THR 386 Cb 1.23 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1cxl h THR 386 CO 0.57 0.29 0.52 0.00 0.37 0.00 0.00 175.52 177.27 1cxl h ALA 387 N 1.16 1.05 -0.52 6.16 0.00 -1.92 0.58 119.26 125.77 1cxl h ALA 387 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1cxl h ALA 387 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1cxl h ALA 387 CO -0.03 0.49 0.29 -0.92 0.00 0.00 0.00 179.25 179.08 1cxl h TYR 388 N 1.13 0.71 -0.32 0.00 5.03 -1.60 -1.90 116.97 120.02 1cxl h TYR 388 Ca 0.30 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.54 1cxl h TYR 388 Cb -0.08 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 37.95 1cxl h TYR 388 CO -0.01 0.53 -0.05 1.96 -1.32 0.00 0.00 178.16 179.27 1cxl h GLN 389 N 0.69 0.51 -0.21 1.82 4.20 -0.72 -0.21 115.11 121.18 1cxl h GLN 389 Ca 0.18 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1cxl h GLN 389 Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1cxl h GLN 389 CO -0.03 0.57 0.09 0.28 -0.67 0.00 0.00 178.83 179.07 1cxl h VAL 390 N 0.48 1.16 -0.39 -0.54 2.07 -0.43 -0.87 116.25 117.74 1cxl h VAL 390 Ca 0.10 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1cxl h VAL 390 Cb 0.39 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1cxl h VAL 390 CO 0.02 0.16 0.15 0.40 0.02 0.00 0.00 177.57 178.32 1cxl h ILE 391 N 0.19 1.20 -0.86 4.57 2.04 -1.09 -1.30 117.51 122.27 1cxl h ILE 391 Ca 0.07 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.40 1cxl h ILE 391 Cb 0.17 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 1cxl h ILE 391 CO -0.01 0.22 0.56 -0.61 0.00 0.00 0.00 178.15 178.31 1cxl h GLN 392 N 0.49 0.90 0.07 2.37 4.15 -0.83 0.28 115.11 122.53 1cxl h GLN 392 Ca 0.13 -0.05 -0.26 0.00 0.77 0.00 0.00 58.65 59.24 1cxl h GLN 392 Cb 0.19 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1cxl h GLN 392 CO -0.01 0.59 -1.22 0.87 -1.93 0.00 0.00 178.83 177.13 1cxl h LYS 393 N 0.92 0.15 0.04 1.69 1.57 -0.91 -3.40 116.57 116.62 1cxl h LYS 393 Ca 0.38 -0.26 -0.36 0.00 -1.87 0.00 0.00 60.65 58.54 1cxl h LYS 393 Cb 0.27 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1cxl h LYS 393 CO -0.14 1.08 -2.20 1.28 -0.57 0.00 0.00 179.45 178.90 1cxl n LEU 394 N -3.42 1.93 -0.17 2.94 4.77 -0.51 -4.51 117.00 118.02 1cxl n LEU 394 Ca -0.07 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1cxl n LEU 394 Cb 1.00 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 41.66 1cxl n LEU 394 CO 0.50 0.73 0.88 0.00 -1.33 0.00 0.00 177.39 178.17 1cxl h ALA 395 N 0.39 0.56 0.00 -1.18 0.00 -0.67 -1.28 119.26 117.07 1cxl h ALA 395 Ca -0.48 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1cxl h ALA 395 Cb 2.03 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1cxl h ALA 395 CO 0.01 -0.35 0.00 -1.35 0.00 0.00 0.00 179.25 177.56 1cxl h PRO 396 N 0.18 0.00 0.00 0.00 0.11 -1.78 -1.26 132.00 129.24 1cxl h PRO 396 Ca 0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 1cxl h PRO 396 Cb 0.40 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1cxl h PRO 396 CO -0.40 0.00 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.20 1cxl h LEU 397 N 0.00 0.00 -1.87 2.35 3.38 -1.46 -1.15 115.31 116.56 1cxl h LEU 397 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1cxl h LEU 397 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cxl h LEU 397 CO 0.00 0.13 -0.13 0.03 0.09 0.00 0.00 178.44 178.55 1cxl h ARG 398 N 0.00 0.00 0.05 1.13 3.08 -1.35 0.29 114.38 117.59 1cxl h ARG 398 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 1cxl h ARG 398 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1cxl h ARG 398 CO 0.02 0.13 -1.30 0.87 -1.07 0.00 0.00 179.97 178.62 1cxl h LYS 399 N 0.00 0.11 0.00 0.04 1.79 -1.31 -3.40 116.57 113.80 1cxl h LYS 399 Ca -0.00 -0.19 -0.14 0.00 -2.18 0.00 0.00 60.65 58.13 1cxl h LYS 399 Cb 0.32 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1cxl h LYS 399 CO 0.02 1.09 -0.66 0.66 -1.08 0.00 0.00 179.45 179.48 1cxl h SER 400 N -0.63 0.00 -3.57 0.86 4.64 -1.20 -3.42 113.55 110.22 1cxl h SER 400 Ca -0.32 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.36 1cxl h SER 400 Cb 1.53 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.22 1cxl h SER 400 CO -0.07 0.66 -0.73 0.21 -0.87 0.00 0.00 176.83 176.04 1cxl s ASN 401 N -6.55 4.60 0.65 4.97 3.84 0.10 -4.97 114.94 117.59 1cxl s ASN 401 Ca 0.03 -2.05 0.39 0.00 0.21 0.00 0.00 52.86 51.44 1cxl s ASN 401 Cb 0.08 -1.46 2.16 0.00 -0.55 0.00 0.00 41.25 41.48 1cxl s ASN 401 CO 0.77 -0.39 2.25 1.55 -2.79 0.00 0.00 177.10 178.49 1cxl h PRO 402 N 7.71 0.00 -0.60 0.43 0.13 -1.83 -0.40 132.00 137.44 1cxl h PRO 402 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1cxl h PRO 402 Cb 1.02 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 1cxl h PRO 402 CO 0.51 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 178.52 1cxl h ALA 403 N 1.85 1.29 -0.22 -0.56 0.00 -1.82 0.20 119.26 120.01 1cxl h ALA 403 Ca 0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1cxl h ALA 403 Cb 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1cxl h ALA 403 CO -0.00 0.53 -0.36 0.82 0.00 0.00 0.00 179.25 180.23 1cxl h ILE 404 N 0.86 1.32 -0.23 0.00 2.04 -1.36 0.24 117.51 120.38 1cxl h ILE 404 Ca 0.20 -1.58 -0.19 0.00 1.00 0.00 0.00 64.86 64.29 1cxl h ILE 404 Cb 0.17 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1cxl h ILE 404 CO -0.02 0.49 -0.63 0.00 0.00 0.00 0.00 178.15 177.99 1cxl h ALA 405 N 0.62 0.45 0.00 1.87 0.00 -1.42 -3.40 119.26 117.39 1cxl h ALA 405 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1cxl h ALA 405 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1cxl h ALA 405 CO 0.08 0.69 0.00 0.66 0.00 0.00 0.00 179.25 180.68 1cxl n TYR 406 N -3.97 0.00 -1.08 0.00 4.01 0.67 -4.67 117.16 112.12 1cxl n TYR 406 Ca -0.05 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.38 1cxl n TYR 406 Cb 0.67 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.82 1cxl n TYR 406 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cxl s GLY 407 N -0.16 1.67 1.01 2.72 0.00 0.83 -4.93 107.32 108.46 1cxl s GLY 407 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 1cxl s GLY 407 CO 0.00 0.71 1.14 -1.35 0.00 0.00 0.00 173.10 173.59 1cxl s SER 408 N -3.18 2.62 -0.09 1.64 1.04 -0.83 -4.71 113.70 110.19 1cxl s SER 408 Ca 0.63 0.88 0.01 0.00 0.48 0.00 0.00 55.95 57.95 1cxl s SER 408 Cb -0.19 -1.35 0.02 0.00 0.10 0.00 0.00 66.02 64.59 1cxl s SER 408 CO 0.57 -3.10 -0.11 -0.89 0.98 0.00 0.00 173.24 170.69 1cxl s THR 409 N -3.19 1.17 -0.05 2.02 2.01 -1.26 -2.99 115.64 113.36 1cxl s THR 409 Ca 0.67 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1cxl s THR 409 Cb -0.14 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1cxl s THR 409 CO 0.55 0.38 -0.02 -1.58 -0.69 0.00 0.00 174.62 173.26 1cxl s GLN 410 N 1.07 0.62 0.06 4.92 0.74 -0.34 -4.96 119.66 121.76 1cxl s GLN 410 Ca -0.07 0.00 -0.31 0.00 0.05 0.00 0.00 55.36 55.04 1cxl s GLN 410 Cb -0.15 -0.77 -0.06 0.00 1.10 0.00 0.00 33.01 33.13 1cxl s GLN 410 CO -0.01 -0.15 1.31 -2.00 -0.55 0.00 0.00 175.29 173.89 1cxl s GLU 411 N 1.21 4.35 -0.04 1.67 -6.30 -1.26 -0.48 118.70 117.84 1cxl s GLU 411 Ca -0.07 1.92 0.10 0.00 -2.50 0.00 0.00 54.97 54.42 1cxl s GLU 411 Cb -0.14 -3.37 -0.15 0.00 0.00 0.00 0.00 34.13 30.48 1cxl s GLU 411 CO -0.02 -0.40 0.16 0.54 0.02 0.00 0.00 175.26 175.56 1cxl n ARG 412 N 4.30 0.99 -3.66 4.30 5.12 0.14 -4.92 116.66 122.94 1cxl n ARG 412 Ca 0.11 -0.07 -0.12 0.00 -1.93 0.00 0.00 57.85 55.84 1cxl n ARG 412 Cb 0.44 -1.25 -0.08 0.00 -1.16 0.00 0.00 32.46 30.42 1cxl n ARG 412 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1cxl s TRP 413 N -2.56 -0.74 -0.10 -1.55 -0.00 -0.92 -4.54 118.94 108.52 1cxl s TRP 413 Ca -0.04 1.71 -0.25 0.00 -0.00 0.00 0.00 56.10 57.52 1cxl s TRP 413 Cb 0.05 0.31 0.06 0.00 -0.00 0.00 0.00 33.47 33.89 1cxl s TRP 413 CO 0.42 -0.37 0.60 -1.50 -0.00 0.00 0.00 176.95 176.10 1cxl s ILE 414 N 0.66 0.01 0.13 5.86 2.07 -1.26 -0.57 121.20 128.09 1cxl s ILE 414 Ca -0.03 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.11 1cxl s ILE 414 Cb -0.05 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.66 1cxl s ILE 414 CO -0.04 -0.05 0.21 -0.46 -1.91 0.00 0.00 174.94 172.69 1cxl n ASN 415 N 1.55 -0.60 -0.25 4.50 0.23 -0.61 -4.97 115.26 115.11 1cxl n ASN 415 Ca -0.18 -1.62 0.04 0.00 -0.53 0.00 0.00 54.58 52.29 1cxl n ASN 415 Cb 0.56 1.05 0.17 0.00 -2.08 0.00 0.00 39.78 39.48 1cxl n ASN 415 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1cxl h ASN 416 N 0.68 0.37 0.00 0.53 2.35 -1.99 -3.20 115.58 114.32 1cxl h ASN 416 Ca -0.10 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1cxl h ASN 416 Cb 0.42 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1cxl h ASN 416 CO 0.14 0.18 -1.18 0.47 -1.65 0.00 0.00 177.43 175.38 1cxl n ASP 417 N -4.94 0.88 -4.39 5.81 8.00 -1.26 -1.39 116.55 119.27 1cxl n ASP 417 Ca 0.13 -0.55 -0.32 0.00 0.71 0.00 0.00 54.79 54.76 1cxl n ASP 417 Cb 0.35 1.31 -0.15 0.00 -0.02 0.00 0.00 41.12 42.61 1cxl n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cxl s VAL 418 N -2.83 2.62 -0.06 2.53 1.01 -1.21 -1.35 120.40 121.11 1cxl s VAL 418 Ca 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1cxl s VAL 418 Cb 0.12 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1cxl s VAL 418 CO 0.70 0.58 -0.03 -0.22 0.00 0.00 0.00 175.10 176.14 1cxl s LEU 419 N -0.53 1.01 -0.20 3.92 2.96 -0.34 -1.57 118.68 123.93 1cxl s LEU 419 Ca 0.07 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1cxl s LEU 419 Cb -0.11 -0.46 0.03 0.00 0.50 0.00 0.00 46.19 46.15 1cxl s LEU 419 CO 0.01 -0.12 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.12 1cxl s ILE 420 N 1.40 2.04 0.21 6.68 1.01 0.26 -1.12 121.20 131.68 1cxl s ILE 420 Ca -0.03 -1.09 0.09 0.00 0.00 0.00 0.00 60.65 59.62 1cxl s ILE 420 Cb -0.13 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1cxl s ILE 420 CO -0.03 0.39 -0.18 -0.72 0.00 0.00 0.00 174.94 174.40 1cxl s TYR 421 N 1.26 1.93 -0.05 3.97 1.13 -0.09 0.27 117.35 125.78 1cxl s TYR 421 Ca 0.02 -0.46 0.05 0.00 -1.41 0.00 0.00 57.07 55.26 1cxl s TYR 421 Cb -0.15 -0.91 -0.00 0.00 -1.10 0.00 0.00 41.96 39.80 1cxl s TYR 421 CO -0.11 0.44 -0.20 -2.00 -2.51 0.00 0.00 175.55 171.18 1cxl s GLU 422 N -3.21 2.11 -0.14 -3.49 2.12 0.36 -0.62 118.70 115.83 1cxl s GLU 422 Ca 0.21 -0.71 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 1cxl s GLU 422 Cb -0.04 -1.79 -0.03 0.00 0.26 0.00 0.00 34.13 32.53 1cxl s GLU 422 CO 0.09 0.27 0.01 1.03 -0.54 0.00 0.00 175.26 176.11 1cxl s ARG 423 N 0.04 3.56 -0.02 4.30 1.81 0.56 -1.20 118.95 128.00 1cxl s ARG 423 Ca -0.06 -0.43 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 1cxl s ARG 423 Cb -0.13 -2.97 0.02 0.00 -0.45 0.00 0.00 34.95 31.42 1cxl s ARG 423 CO 0.03 0.40 0.02 0.21 -0.68 0.00 0.00 175.30 175.27 1cxl s LYS 424 N -0.03 0.05 -0.24 3.54 2.20 -1.16 -1.25 119.74 122.85 1cxl s LYS 424 Ca 0.03 0.12 -0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1cxl s LYS 424 Cb -0.13 -0.26 0.13 0.00 -1.51 0.00 0.00 37.83 36.07 1cxl s LYS 424 CO 0.02 -0.12 0.44 0.12 -0.36 0.00 0.00 175.35 175.44 1cxl s PHE 425 N 0.83 -0.97 0.00 4.03 5.36 -0.49 -1.97 117.98 124.77 1cxl s PHE 425 Ca -0.07 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 1cxl s PHE 425 Cb -0.10 0.21 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 1cxl s PHE 425 CO -0.02 -0.69 0.00 0.41 -1.46 0.00 0.00 175.22 173.46 1cxl n GLY 426 N 5.39 3.14 2.02 13.12 0.00 -1.26 -1.34 105.19 126.26 1cxl n GLY 426 Ca -0.05 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 1cxl n GLY 426 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cxl n SER 427 N 1.97 6.62 -4.02 1.61 7.64 -1.26 -4.85 113.62 121.34 1cxl n SER 427 Ca 0.00 -3.17 -0.20 0.00 1.01 0.00 0.00 58.87 56.51 1cxl n SER 427 Cb 0.00 -1.07 -0.15 0.00 -1.01 0.00 0.00 64.21 61.98 1cxl n SER 427 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1cxl s ASN 428 N -0.03 1.23 0.01 6.43 0.01 -0.45 -1.81 114.94 120.33 1cxl s ASN 428 Ca 0.38 -0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 52.32 1cxl s ASN 428 Cb 0.29 -0.27 -0.01 0.00 0.41 0.00 0.00 41.25 41.67 1cxl s ASN 428 CO -0.03 0.09 0.04 -0.69 -1.51 0.00 0.00 177.10 174.99 1cxl s VAL 429 N 0.06 0.08 -0.04 1.60 1.01 0.15 -1.40 120.40 121.85 1cxl s VAL 429 Ca -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1cxl s VAL 429 Cb -0.07 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.07 1cxl s VAL 429 CO 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 175.10 174.84 1cxl s ALA 430 N -1.07 -0.10 -0.12 5.51 0.00 -0.38 -0.91 121.76 124.68 1cxl s ALA 430 Ca -0.12 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1cxl s ALA 430 Cb -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1cxl s ALA 430 CO -0.00 -0.10 -0.21 0.08 0.00 0.00 0.00 175.76 175.53 1cxl s VAL 431 N 0.81 1.92 -0.10 0.00 1.01 0.14 -0.32 120.40 123.86 1cxl s VAL 431 Ca -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1cxl s VAL 431 Cb -0.09 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1cxl s VAL 431 CO -0.03 0.52 -0.22 -0.69 0.00 0.00 0.00 175.10 174.69 1cxl s VAL 432 N 0.69 1.90 -0.14 2.92 1.01 0.21 -0.54 120.40 126.45 1cxl s VAL 432 Ca -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1cxl s VAL 432 Cb -0.16 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1cxl s VAL 432 CO 0.02 0.52 -0.15 0.00 0.00 0.00 0.00 175.10 175.49 1cxl s ALA 433 N 0.47 2.51 -0.08 5.51 0.00 -0.20 -0.91 121.76 129.06 1cxl s ALA 433 Ca -0.16 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1cxl s ALA 433 Cb -0.17 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1cxl s ALA 433 CO 0.07 0.11 -0.09 0.08 0.00 0.00 0.00 175.76 175.93 1cxl s VAL 434 N 0.58 0.98 -0.39 0.00 1.01 -0.28 -1.00 120.40 121.31 1cxl s VAL 434 Ca -0.09 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1cxl s VAL 434 Cb -0.16 -0.95 0.11 0.00 0.00 0.00 0.00 36.38 35.38 1cxl s VAL 434 CO 0.03 0.34 0.13 0.21 0.00 0.00 0.00 175.10 175.81 1cxl s ASN 435 N 1.08 4.93 0.51 3.32 2.47 0.19 -1.20 114.94 126.24 1cxl s ASN 435 Ca -0.07 -2.20 0.30 0.00 0.42 0.00 0.00 52.86 51.31 1cxl s ASN 435 Cb -0.14 -1.71 1.18 0.00 -1.45 0.00 0.00 41.25 39.12 1cxl s ASN 435 CO -0.01 -0.43 1.92 0.08 -3.72 0.00 0.00 177.10 174.94 1cxl h ARG 436 N 7.68 0.00 -6.20 0.43 0.11 -1.50 -2.91 114.38 111.98 1cxl h ARG 436 Ca -0.07 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.43 1cxl h ARG 436 Cb 1.02 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.08 1cxl h ARG 436 CO 0.60 0.08 1.32 1.21 0.10 0.00 0.00 179.97 183.29 1cxl s ASN 437 N -5.90 5.81 0.00 0.08 3.84 -1.26 -4.70 114.94 112.82 1cxl s ASN 437 Ca 0.01 1.49 0.25 0.00 0.21 0.00 0.00 52.86 54.82 1cxl s ASN 437 Cb 0.09 -2.52 1.16 0.00 -0.55 0.00 0.00 41.25 39.43 1cxl s ASN 437 CO 0.58 -1.74 1.82 0.18 -2.79 0.00 0.00 177.10 175.15 1cxl n LEU 438 N 10.51 0.00 -0.00 3.21 4.77 -1.26 -0.83 117.00 133.39 1cxl n LEU 438 Ca 0.24 0.41 0.02 0.00 -0.03 0.00 0.00 56.01 56.65 1cxl n LEU 438 Cb 0.46 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1cxl n LEU 438 CO 0.68 -0.06 -0.28 0.59 -1.33 0.00 0.00 177.39 176.98 1cxl n ASN 439 N -1.41 2.15 -4.03 -1.43 4.13 -1.26 -4.54 115.26 108.88 1cxl n ASN 439 Ca 0.09 -0.29 -0.25 0.00 1.68 0.00 0.00 54.58 55.80 1cxl n ASN 439 Cb 0.25 1.09 -0.17 0.00 -1.54 0.00 0.00 39.78 39.42 1cxl n ASN 439 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1cxl s ALA 440 N -1.83 1.35 0.85 5.41 0.00 -1.24 -4.95 121.76 121.35 1cxl s ALA 440 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1cxl s ALA 440 Cb 0.03 -0.63 0.10 0.00 0.00 0.00 0.00 23.12 22.62 1cxl s ALA 440 CO 0.16 0.06 1.11 -1.25 0.00 0.00 0.00 175.76 175.84 1cxl s PRO 441 N 0.77 1.62 0.04 0.00 0.04 -1.26 -4.32 135.00 131.89 1cxl s PRO 441 Ca -0.12 0.51 0.06 0.00 0.04 0.00 0.00 61.00 61.49 1cxl s PRO 441 Cb -0.16 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1cxl s PRO 441 CO 0.02 -1.91 -0.18 0.00 0.04 0.00 0.00 177.00 174.97 1cxl s ALA 442 N -3.18 1.50 -0.43 8.56 0.00 -0.02 -4.92 121.76 123.27 1cxl s ALA 442 Ca 0.62 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 51.46 1cxl s ALA 442 Cb -0.15 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1cxl s ALA 442 CO 0.54 0.32 0.38 0.45 0.00 0.00 0.00 175.76 177.45 1cxl s SER 443 N -1.18 6.15 -0.48 0.00 0.15 -1.26 -0.64 113.70 116.44 1cxl s SER 443 Ca 0.05 -0.94 -0.19 0.00 0.70 0.00 0.00 55.95 55.58 1cxl s SER 443 Cb -0.08 -2.19 0.05 0.00 -1.71 0.00 0.00 66.02 62.08 1cxl s SER 443 CO 0.02 -0.56 0.57 -0.63 1.20 0.00 0.00 173.24 173.83 1cxl s ILE 444 N 1.86 4.95 0.05 6.45 -1.09 0.18 -4.99 121.20 128.61 1cxl s ILE 444 Ca 0.07 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.06 1cxl s ILE 444 Cb -0.20 -4.23 -0.02 0.00 -1.58 0.00 0.00 42.46 36.43 1cxl s ILE 444 CO 0.10 -0.70 -0.13 -0.94 -1.23 0.00 0.00 174.94 172.05 1cxl s SER 445 N 2.47 1.52 0.00 3.58 1.04 -1.26 -1.82 113.70 119.23 1cxl s SER 445 Ca 0.14 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1cxl s SER 445 Cb -0.19 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1cxl s SER 445 CO 0.12 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1cxl n GLY 446 N 1.66 0.67 3.68 7.32 0.00 -1.26 -5.01 105.19 112.25 1cxl n GLY 446 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1cxl n GLY 446 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cxl s LEU 447 N 0.00 4.28 -0.07 0.99 2.96 -1.26 -4.96 118.68 120.62 1cxl s LEU 447 Ca 0.00 1.92 0.04 0.00 -0.22 0.00 0.00 54.13 55.87 1cxl s LEU 447 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1cxl s LEU 447 CO 0.00 -0.66 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.50 1cxl s VAL 448 N 2.45 2.72 0.38 1.68 1.01 -1.26 -0.58 120.40 126.80 1cxl s VAL 448 Ca 0.59 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1cxl s VAL 448 Cb -0.27 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1cxl s VAL 448 CO 0.23 0.57 0.22 0.42 0.00 0.00 0.00 175.10 176.54 1cxl s THR 449 N -0.26 0.23 -1.88 3.92 -4.23 0.38 -4.90 115.64 108.89 1cxl s THR 449 Ca 0.01 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.73 1cxl s THR 449 Cb -0.13 -2.39 0.55 0.00 1.34 0.00 0.00 72.50 71.88 1cxl s THR 449 CO 0.03 0.00 1.47 -1.20 -0.54 0.00 0.00 174.62 174.37 1cxl n SER 450 N -1.57 3.70 -4.76 3.99 7.64 -1.26 -4.22 113.62 117.14 1cxl n SER 450 Ca 0.01 -1.99 -0.40 0.00 1.01 0.00 0.00 58.87 57.50 1cxl n SER 450 Cb 0.63 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 1cxl n SER 450 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1cxl s LEU 451 N -1.08 4.54 0.82 -3.43 1.43 -1.26 -4.98 118.68 114.73 1cxl s LEU 451 Ca 0.43 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 1cxl s LEU 451 Cb 0.23 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.91 1cxl s LEU 451 CO 0.30 -0.17 1.12 -2.84 0.23 0.00 0.00 176.35 174.99 1cxl s PRO 452 N -1.37 1.78 0.32 1.29 0.02 -1.26 -4.34 135.00 131.43 1cxl s PRO 452 Ca 0.45 1.37 -0.29 0.00 0.02 0.00 0.00 61.00 62.55 1cxl s PRO 452 Cb -0.32 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.24 1cxl s PRO 452 CO 0.41 -2.03 1.34 0.94 -0.33 0.00 0.00 177.00 177.33 1cxl n GLN 453 N -3.71 2.15 -0.82 5.54 7.27 -1.26 -4.83 117.38 121.72 1cxl n GLN 453 Ca 0.10 0.76 0.00 0.00 0.07 0.00 0.00 57.00 57.93 1cxl n GLN 453 Cb 0.52 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.80 1cxl n GLN 453 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1cxl n GLY 454 N 1.16 0.29 3.74 1.69 0.00 -0.11 -4.99 105.19 106.97 1cxl n GLY 454 Ca 0.06 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 1cxl n GLY 454 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cxl s SER 455 N -1.03 5.64 -0.12 1.61 0.01 -1.26 -0.40 113.70 118.14 1cxl s SER 455 Ca 0.00 0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.51 1cxl s SER 455 Cb 0.00 -1.72 0.01 0.00 0.21 0.00 0.00 66.02 64.52 1cxl s SER 455 CO 0.00 0.36 -0.18 -0.31 0.41 0.00 0.00 173.24 173.52 1cxl s TYR 456 N -0.76 2.30 0.32 2.43 1.51 0.15 -4.96 117.35 118.34 1cxl s TYR 456 Ca 0.12 -1.13 -0.25 0.00 -1.01 0.00 0.00 57.07 54.80 1cxl s TYR 456 Cb -0.12 -1.61 -0.10 0.00 -0.11 0.00 0.00 41.96 40.02 1cxl s TYR 456 CO 0.03 -0.55 0.92 -0.80 -1.11 0.00 0.00 175.55 174.04 1cxl s ASN 457 N 0.93 7.26 0.08 2.29 0.01 -1.26 -0.68 114.94 123.56 1cxl s ASN 457 Ca -0.06 1.77 -0.31 0.00 -0.71 0.00 0.00 52.86 53.55 1cxl s ASN 457 Cb -0.15 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.87 1cxl s ASN 457 CO -0.02 -0.09 1.65 -0.62 -1.51 0.00 0.00 177.10 176.51 1cxl s ASP 458 N -1.69 6.59 0.50 -1.22 2.15 -1.26 -4.69 116.67 117.06 1cxl s ASP 458 Ca 0.51 2.51 0.16 0.00 0.43 0.00 0.00 52.55 56.16 1cxl s ASP 458 Cb -0.17 -2.57 1.22 0.00 -0.30 0.00 0.00 42.92 41.10 1cxl s ASP 458 CO 0.22 -0.89 2.11 0.58 -0.17 0.00 0.00 175.17 177.03 1cxl h VAL 459 N 4.72 0.98 0.00 1.11 2.07 -0.86 0.90 116.25 125.17 1cxl h VAL 459 Ca -0.43 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1cxl h VAL 459 Cb 1.20 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1cxl h VAL 459 CO 0.93 0.02 0.00 0.18 0.02 0.00 0.00 177.57 178.72 1cxl n LEU 460 N -4.51 0.00 -2.24 2.57 4.77 -1.26 -4.89 117.00 111.44 1cxl n LEU 460 Ca -0.00 0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 56.12 1cxl n LEU 460 Cb 0.15 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1cxl n LEU 460 CO 0.34 -0.09 -0.26 0.61 -1.33 0.00 0.00 177.39 176.67 1cxl n GLY 461 N 0.65 -0.03 2.33 -0.72 0.00 0.31 -1.25 105.19 106.49 1cxl n GLY 461 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1cxl n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxl n GLY 462 N -0.90 0.64 0.36 -0.02 0.00 -1.26 -4.91 105.19 99.10 1cxl n GLY 462 Ca -0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.88 1cxl n GLY 462 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cxl h LEU 463 N 0.00 0.83 -3.73 0.99 5.85 -1.52 -0.58 115.31 117.15 1cxl h LEU 463 Ca 0.00 0.06 -0.48 0.00 0.84 0.00 0.00 57.88 58.30 1cxl h LEU 463 Cb 0.02 -0.10 -0.29 0.00 0.37 0.00 0.00 40.66 40.65 1cxl h LEU 463 CO 0.00 0.40 0.01 0.18 -0.34 0.00 0.00 178.44 178.69 1cxl n LEU 464 N -4.64 5.68 -1.92 2.25 4.77 -1.26 -4.90 117.00 116.97 1cxl n LEU 464 Ca 0.20 -4.27 -0.17 0.00 -0.03 0.00 0.00 56.01 51.74 1cxl n LEU 464 Cb 0.44 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1cxl n LEU 464 CO 0.26 1.61 -0.22 0.59 -1.33 0.00 0.00 177.39 178.30 1cxl n ASN 465 N -0.92 -5.07 -4.38 -1.43 4.13 -0.22 -1.40 115.26 105.96 1cxl n ASN 465 Ca 0.48 0.01 -0.29 0.00 1.68 0.00 0.00 54.58 56.46 1cxl n ASN 465 Cb 0.94 -4.16 0.18 0.00 -1.54 0.00 0.00 39.78 35.20 1cxl n ASN 465 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1cxl s GLY 466 N -2.26 1.63 0.23 7.41 0.00 -1.22 -4.40 107.32 108.71 1cxl s GLY 466 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1cxl s GLY 466 CO 0.00 -0.10 0.18 0.54 0.00 0.00 0.00 173.10 173.72 1cxl s ASN 467 N -4.18 0.44 0.41 1.64 4.22 -1.26 -4.49 114.94 111.73 1cxl s ASN 467 Ca 0.68 -1.44 -0.22 0.00 -2.14 0.00 0.00 52.86 49.74 1cxl s ASN 467 Cb -0.11 0.43 -0.10 0.00 1.28 0.00 0.00 41.25 42.75 1cxl s ASN 467 CO 0.54 -0.90 0.98 -0.89 -2.04 0.00 0.00 177.10 174.79 1cxl s THR 468 N -4.00 4.15 -0.05 0.54 2.01 -1.26 -4.00 115.64 113.03 1cxl s THR 468 Ca 0.38 1.47 0.03 0.00 0.31 0.00 0.00 61.69 63.89 1cxl s THR 468 Cb 0.06 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1cxl s THR 468 CO 0.15 -0.16 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.56 1cxl s LEU 469 N -2.92 2.80 -0.22 4.42 2.96 0.14 -4.94 118.68 120.91 1cxl s LEU 469 Ca 0.60 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1cxl s LEU 469 Cb -0.14 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 45.00 1cxl s LEU 469 CO 0.19 0.35 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.99 1cxl s SER 470 N -0.77 3.87 -0.14 3.68 0.01 -1.26 0.29 113.70 119.39 1cxl s SER 470 Ca 0.12 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.45 1cxl s SER 470 Cb -0.11 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 1cxl s SER 470 CO 0.01 -0.09 -0.09 -0.69 0.41 0.00 0.00 173.24 172.79 1cxl s VAL 471 N 1.26 3.43 0.00 3.43 1.01 0.47 -0.33 120.40 129.67 1cxl s VAL 471 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1cxl s VAL 471 Cb -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1cxl s VAL 471 CO -0.08 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1cxl n GLY 472 N 3.47 0.77 3.82 4.51 0.00 0.55 -0.93 105.19 117.37 1cxl n GLY 472 Ca -0.18 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 1cxl n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cxl s SER 473 N -1.00 5.82 0.00 1.61 1.04 -1.26 -2.89 113.70 117.02 1cxl s SER 473 Ca 0.00 1.68 0.00 0.00 0.48 0.00 0.00 55.95 58.11 1cxl s SER 473 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1cxl s SER 473 CO 0.00 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1cxl n GLY 474 N -1.55 1.57 2.30 7.32 0.00 -1.26 -3.77 105.19 109.80 1cxl n GLY 474 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1cxl n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxl n GLY 475 N -2.00 0.74 3.71 -0.02 0.00 -1.14 -4.70 105.19 101.78 1cxl n GLY 475 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1cxl n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxl s ALA 476 N -2.87 3.33 0.07 4.61 0.00 -1.25 -0.47 121.76 125.19 1cxl s ALA 476 Ca 0.00 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 52.57 1cxl s ALA 476 Cb 0.00 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 1cxl s ALA 476 CO 0.00 -0.39 0.50 0.00 0.00 0.00 0.00 175.76 175.87 1cxl s ALA 477 N 1.08 3.63 0.63 0.00 0.00 0.26 -0.33 121.76 127.03 1cxl s ALA 477 Ca 0.57 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 1cxl s ALA 477 Cb -0.27 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1cxl s ALA 477 CO 0.29 0.45 1.12 -1.12 0.00 0.00 0.00 175.76 176.50 1cxl s SER 478 N -1.33 5.19 0.37 0.00 0.01 0.55 -4.47 113.70 114.03 1cxl s SER 478 Ca 0.30 2.08 -0.26 0.00 1.31 0.00 0.00 55.95 59.38 1cxl s SER 478 Cb -0.17 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.38 1cxl s SER 478 CO 0.17 -1.57 1.05 0.59 0.41 0.00 0.00 173.24 173.89 1cxl n ASN 479 N -2.15 1.51 -3.69 2.44 5.03 -1.26 -4.77 115.26 112.38 1cxl n ASN 479 Ca 0.11 1.11 -0.10 0.00 0.87 0.00 0.00 54.58 56.57 1cxl n ASN 479 Cb 0.52 -1.35 -0.05 0.00 -1.02 0.00 0.00 39.78 37.87 1cxl n ASN 479 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1cxl s PHE 480 N -1.18 -0.12 -0.23 3.10 -0.71 -0.75 -5.02 117.98 113.07 1cxl s PHE 480 Ca 0.60 -0.23 -0.12 0.00 -1.04 0.00 0.00 56.93 56.15 1cxl s PHE 480 Cb -0.60 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.35 1cxl s PHE 480 CO 0.59 -0.67 0.23 0.99 -1.34 0.00 0.00 175.22 175.01 1cxl s THR 481 N -3.82 5.32 -0.46 -4.49 2.01 -1.26 -0.65 115.64 112.29 1cxl s THR 481 Ca 0.04 0.33 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 1cxl s THR 481 Cb 0.02 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 69.02 1cxl s THR 481 CO -0.12 0.32 0.44 -0.22 -0.69 0.00 0.00 174.62 174.36 1cxl s LEU 482 N 1.10 5.24 0.90 4.42 2.96 0.18 -4.91 118.68 128.58 1cxl s LEU 482 Ca 0.11 -1.03 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 1cxl s LEU 482 Cb -0.14 -2.28 0.05 0.00 0.50 0.00 0.00 46.19 44.32 1cxl s LEU 482 CO 0.05 -0.66 0.64 0.00 -1.32 0.00 0.00 176.35 175.06 1cxl n ALA 483 N 5.50 -1.88 -1.75 5.97 0.00 -1.26 -0.84 120.51 126.25 1cxl n ALA 483 Ca -0.10 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1cxl n ALA 483 Cb 0.45 -1.93 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 1cxl n ALA 483 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cxl s ALA 484 N -2.36 3.85 -0.42 0.00 0.00 -1.26 0.12 121.76 121.69 1cxl s ALA 484 Ca 0.61 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1cxl s ALA 484 Cb -0.24 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1cxl s ALA 484 CO 0.63 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1cxl n GLY 485 N 3.14 0.49 3.77 0.00 0.00 -0.01 -4.91 105.19 107.67 1cxl n GLY 485 Ca 0.12 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1cxl n GLY 485 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cxl s GLY 486 N -2.21 2.94 -0.08 -0.02 0.00 0.12 -4.78 107.32 103.28 1cxl s GLY 486 Ca 0.00 1.17 -0.03 0.00 0.00 0.00 0.00 44.72 45.86 1cxl s GLY 486 CO 0.00 1.76 0.16 -1.59 0.00 0.00 0.00 173.10 173.43 1cxl s THR 487 N -1.25 -0.20 0.04 0.90 2.01 -0.50 -0.64 115.64 116.00 1cxl s THR 487 Ca 0.54 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.85 1cxl s THR 487 Cb -0.37 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 1cxl s THR 487 CO 0.48 0.12 -0.07 0.00 -0.69 0.00 0.00 174.62 174.46 1cxl s ALA 488 N 1.93 0.48 -0.08 7.40 0.00 -0.17 -3.39 121.76 127.93 1cxl s ALA 488 Ca -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1cxl s ALA 488 Cb -0.12 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1cxl s ALA 488 CO -0.06 -0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.63 1cxl s VAL 489 N -1.40 1.03 -0.02 0.00 1.01 -1.26 -1.04 120.40 118.72 1cxl s VAL 489 Ca -0.11 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1cxl s VAL 489 Cb -0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1cxl s VAL 489 CO 0.00 0.34 -0.23 0.26 0.00 0.00 0.00 175.10 175.48 1cxl s TRP 490 N 1.07 2.05 0.17 5.22 0.51 0.30 -0.07 118.94 128.20 1cxl s TRP 490 Ca -0.07 -0.41 -0.07 0.00 -2.12 0.00 0.00 56.10 53.43 1cxl s TRP 490 Cb -0.14 -1.33 -0.02 0.00 -0.81 0.00 0.00 33.47 31.17 1cxl s TRP 490 CO -0.01 -0.05 0.26 1.14 -0.51 0.00 0.00 176.95 177.78 1cxl s GLN 491 N -0.50 1.18 -0.16 4.98 -2.07 -1.26 0.27 119.66 122.10 1cxl s GLN 491 Ca 0.08 -1.27 -0.08 0.00 -1.82 0.00 0.00 55.36 52.27 1cxl s GLN 491 Cb -0.09 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.25 1cxl s GLN 491 CO -0.01 -0.42 0.36 -0.47 -1.32 0.00 0.00 175.29 173.43 1cxl s TYR 492 N -4.01 -0.55 0.04 9.60 5.04 -0.09 -4.99 117.35 122.38 1cxl s TYR 492 Ca 0.21 1.18 0.05 0.00 -2.44 0.00 0.00 57.07 56.08 1cxl s TYR 492 Cb 0.04 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.52 1cxl s TYR 492 CO 0.03 -0.34 -0.16 0.95 -1.34 0.00 0.00 175.55 174.69 1cxl s THR 493 N 1.65 1.24 0.14 4.34 -4.23 -1.26 -0.68 115.64 116.83 1cxl s THR 493 Ca -0.07 -1.03 -0.24 0.00 -1.18 0.00 0.00 61.69 59.17 1cxl s THR 493 Cb -0.10 -1.11 0.07 0.00 1.34 0.00 0.00 72.50 72.71 1cxl s THR 493 CO -0.11 0.07 0.66 0.00 -0.54 0.00 0.00 174.62 174.69 1cxl s ALA 494 N -0.81 -1.62 0.42 3.99 0.00 -0.75 -5.00 121.76 117.98 1cxl s ALA 494 Ca 0.03 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.27 1cxl s ALA 494 Cb -0.08 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.75 1cxl s ALA 494 CO 0.01 -0.77 1.46 0.00 0.00 0.00 0.00 175.76 176.46 1cxl s ALA 495 N -3.64 3.39 -0.24 0.00 0.00 -1.26 -4.44 121.76 115.57 1cxl s ALA 495 Ca 0.02 1.53 -0.10 0.00 0.00 0.00 0.00 51.96 53.41 1cxl s ALA 495 Cb -0.01 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1cxl s ALA 495 CO -0.11 -1.15 0.16 0.99 0.00 0.00 0.00 175.76 175.64 1cxl s THR 496 N -1.16 5.34 0.09 0.00 2.01 -1.26 -4.63 115.64 116.02 1cxl s THR 496 Ca 0.58 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.71 1cxl s THR 496 Cb -0.45 -3.49 -0.26 0.00 0.01 0.00 0.00 72.50 68.30 1cxl s THR 496 CO 0.60 0.34 1.18 0.00 -0.69 0.00 0.00 174.62 176.05 1cxl h ALA 497 N 7.57 0.16 -2.70 7.40 0.00 -1.93 -3.32 119.26 126.42 1cxl h ALA 497 Ca -0.38 -0.84 -0.65 0.00 0.00 0.00 0.00 54.91 53.04 1cxl h ALA 497 Cb 1.17 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1cxl h ALA 497 CO 0.65 0.93 -0.44 0.95 0.00 0.00 0.00 179.25 181.35 1cxl s THR 498 N -2.79 5.40 0.16 0.00 -4.23 -1.26 -4.90 115.64 108.03 1cxl s THR 498 Ca -0.04 0.16 -0.32 0.00 -1.18 0.00 0.00 61.69 60.30 1cxl s THR 498 Cb 0.07 -3.50 -0.12 0.00 1.34 0.00 0.00 72.50 70.29 1cxl s THR 498 CO 0.88 0.48 1.73 -2.65 -0.54 0.00 0.00 174.62 174.52 1cxl n PRO 499 N 1.49 2.63 -3.77 3.99 -0.02 -0.96 -4.25 135.00 134.11 1cxl n PRO 499 Ca -0.15 0.95 -0.22 0.00 -2.02 0.00 0.00 63.50 62.06 1cxl n PRO 499 Cb 0.54 -2.80 -0.18 0.00 -0.02 0.00 0.00 33.50 31.04 1cxl n PRO 499 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cxl s THR 500 N 1.65 0.27 -0.18 3.45 2.01 0.14 -4.15 115.64 118.83 1cxl s THR 500 Ca 0.78 0.18 -0.23 0.00 0.31 0.00 0.00 61.69 62.73 1cxl s THR 500 Cb -0.54 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1cxl s THR 500 CO 0.35 0.24 0.73 -0.63 -0.69 0.00 0.00 174.62 174.63 1cxl s ILE 501 N 1.95 4.95 -0.06 1.82 1.01 -1.26 -1.66 121.20 127.95 1cxl s ILE 501 Ca 0.04 1.42 0.15 0.00 0.00 0.00 0.00 60.65 62.26 1cxl s ILE 501 Cb -0.12 -4.04 -0.23 0.00 0.01 0.00 0.00 42.46 38.08 1cxl s ILE 501 CO -0.04 0.08 0.25 0.61 0.00 0.00 0.00 174.94 175.83 1cxl n GLY 502 N 3.59 -0.73 3.54 6.18 0.00 0.43 -4.95 105.19 113.25 1cxl n GLY 502 Ca 0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1cxl n GLY 502 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1cxl s HIS 503 N -2.86 -0.48 -0.02 1.61 5.65 -0.71 -4.82 115.29 113.66 1cxl s HIS 503 Ca -0.06 0.75 0.01 0.00 0.25 0.00 0.00 55.06 56.01 1cxl s HIS 503 Cb 0.08 0.45 0.01 0.00 -1.18 0.00 0.00 32.58 31.95 1cxl s HIS 503 CO 0.65 -0.48 -0.01 0.08 -0.65 0.00 0.00 174.74 174.32 1cxl s VAL 504 N -1.47 0.22 -0.18 0.89 1.01 -1.26 -0.32 120.40 119.28 1cxl s VAL 504 Ca -0.04 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 1cxl s VAL 504 Cb -0.00 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.18 1cxl s VAL 504 CO 0.03 0.12 0.64 -0.83 0.00 0.00 0.00 175.10 175.05 1cxl s GLY 505 N 0.57 -0.49 1.01 4.51 0.00 -0.45 -4.50 107.32 107.96 1cxl s GLY 505 Ca -0.06 1.62 -0.14 0.00 0.00 0.00 0.00 44.72 46.14 1cxl s GLY 505 CO -0.01 1.34 1.14 2.56 0.00 0.00 0.00 173.10 178.14 1cxl s PRO 506 N -0.14 0.33 0.00 2.90 0.04 -1.26 -0.38 135.00 136.49 1cxl s PRO 506 Ca -0.04 0.16 0.20 0.00 0.04 0.00 0.00 61.00 61.37 1cxl s PRO 506 Cb -0.03 -1.76 0.47 0.00 0.04 0.00 0.00 34.50 33.22 1cxl s PRO 506 CO 0.03 -2.72 1.40 -1.33 0.04 0.00 0.00 177.00 174.42 1cxl n MET 507 N -4.10 2.55 -3.66 4.56 2.81 -1.26 -4.85 117.12 113.17 1cxl n MET 507 Ca 0.09 -2.33 -0.06 0.00 -1.81 0.00 0.00 57.70 53.59 1cxl n MET 507 Cb 0.59 -1.47 -0.08 0.00 -0.71 0.00 0.00 33.22 31.55 1cxl n MET 507 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1cxl s MET 508 N -1.18 0.42 0.01 0.03 -2.45 -1.26 -0.93 119.30 113.94 1cxl s MET 508 Ca 0.38 1.18 -0.29 0.00 -1.25 0.00 0.00 55.69 55.71 1cxl s MET 508 Cb 0.21 0.50 0.11 0.00 1.25 0.00 0.00 34.83 36.90 1cxl s MET 508 CO 0.28 -0.23 1.16 0.00 1.05 0.00 0.00 175.02 177.28 1cxl s ALA 509 N 2.65 -2.02 0.53 4.11 0.00 -0.83 -4.83 121.76 121.36 1cxl s ALA 509 Ca -0.04 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 1cxl s ALA 509 Cb -0.12 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 1cxl s ALA 509 CO -0.15 -0.96 0.81 -1.59 0.00 0.00 0.00 175.76 173.87 1cxl s LYS 510 N -2.71 3.06 0.51 0.00 -2.85 -1.26 -0.29 119.74 116.20 1cxl s LYS 510 Ca 0.12 -0.12 -0.22 0.00 -1.00 0.00 0.00 55.97 54.75 1cxl s LYS 510 Cb 0.02 -2.37 -0.07 0.00 -2.06 0.00 0.00 37.83 33.34 1cxl s LYS 510 CO -0.03 -0.49 1.15 -2.30 0.10 0.00 0.00 175.35 173.78 1cxl n PRO 511 N -2.38 1.44 0.00 1.78 -0.02 -1.26 -2.51 135.00 132.05 1cxl n PRO 511 Ca 0.03 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1cxl n PRO 511 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1cxl n PRO 511 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cxl n GLY 512 N 1.01 3.26 3.78 -1.23 0.00 0.43 -4.93 105.19 107.51 1cxl n GLY 512 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1cxl n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cxl s VAL 513 N -2.65 3.51 -0.10 1.61 1.01 -1.04 -4.57 120.40 118.17 1cxl s VAL 513 Ca 0.00 1.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.96 1cxl s VAL 513 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1cxl s VAL 513 CO 0.00 0.03 0.57 -0.89 0.00 0.00 0.00 175.10 174.81 1cxl s THR 514 N -1.58 5.13 0.27 3.92 2.01 -1.26 -0.91 115.64 123.21 1cxl s THR 514 Ca 0.58 1.15 0.08 0.00 0.31 0.00 0.00 61.69 63.82 1cxl s THR 514 Cb -0.25 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1cxl s THR 514 CO 0.31 0.29 0.09 0.27 -0.69 0.00 0.00 174.62 174.89 1cxl s ILE 515 N 0.75 3.82 -0.19 1.82 -4.36 0.14 -4.74 121.20 118.44 1cxl s ILE 515 Ca 0.31 -1.69 -0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1cxl s ILE 515 Cb -0.16 -3.08 0.01 0.00 1.25 0.00 0.00 42.46 40.48 1cxl s ILE 515 CO 0.13 -0.35 -0.15 -0.89 0.24 0.00 0.00 174.94 173.92 1cxl s THR 516 N -2.26 2.45 -0.28 8.37 2.01 0.49 -1.85 115.64 124.57 1cxl s THR 516 Ca 0.33 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1cxl s THR 516 Cb -0.07 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1cxl s THR 516 CO 0.22 0.51 0.05 -0.63 -0.69 0.00 0.00 174.62 174.08 1cxl s ILE 517 N 1.32 3.78 0.13 1.82 1.01 -0.01 -1.34 121.20 127.89 1cxl s ILE 517 Ca 0.05 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1cxl s ILE 517 Cb -0.13 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1cxl s ILE 517 CO -0.10 0.11 -0.08 -1.81 0.00 0.00 0.00 174.94 173.07 1cxl s ASP 518 N 1.47 4.47 0.00 3.58 1.01 0.57 -0.54 116.67 127.22 1cxl s ASP 518 Ca 0.02 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 52.87 1cxl s ASP 518 Cb -0.17 -0.87 0.00 0.00 1.01 0.00 0.00 42.92 42.89 1cxl s ASP 518 CO 0.01 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.15 1cxl n GLY 519 N 0.44 -0.73 3.20 0.21 0.00 -0.46 -0.43 105.19 107.43 1cxl n GLY 519 Ca -0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1cxl n GLY 519 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cxl s ARG 520 N -1.13 0.76 -0.77 1.61 1.81 -0.66 -4.28 118.95 116.29 1cxl s ARG 520 Ca 0.00 -0.71 0.00 0.00 -1.72 0.00 0.00 55.73 53.30 1cxl s ARG 520 Cb 0.00 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.81 1cxl s ARG 520 CO 0.00 -0.23 0.00 0.41 -0.68 0.00 0.00 175.30 174.80 1cxl n GLY 521 N 0.43 0.90 0.21 -3.53 0.00 -1.15 0.25 105.19 102.31 1cxl n GLY 521 Ca -0.18 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.22 1cxl n GLY 521 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1cxl h PHE 522 N 0.00 0.00 0.00 1.61 0.04 -1.52 -2.56 116.94 114.51 1cxl h PHE 522 Ca -0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1cxl h PHE 522 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1cxl h PHE 522 CO 0.20 0.25 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 1cxl n GLY 523 N 0.27 -0.90 0.12 -1.45 0.00 -1.26 -4.61 105.19 97.35 1cxl n GLY 523 Ca 0.00 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.44 1cxl n GLY 523 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cxl h SER 524 N 0.00 0.00 -3.22 1.61 4.64 -1.89 -2.54 113.55 112.15 1cxl h SER 524 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1cxl h SER 524 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1cxl h SER 524 CO 0.00 0.23 -0.06 -0.44 -0.87 0.00 0.00 176.83 175.69 1cxl s SER 525 N -5.64 6.98 0.18 4.97 0.01 -1.26 -4.66 113.70 114.28 1cxl s SER 525 Ca -0.01 1.16 -0.33 0.00 1.31 0.00 0.00 55.95 58.08 1cxl s SER 525 Cb 0.09 -2.34 -0.15 0.00 0.21 0.00 0.00 66.02 63.83 1cxl s SER 525 CO 0.79 0.22 1.33 0.29 0.41 0.00 0.00 173.24 176.28 1cxl n LYS 526 N 2.11 1.60 0.00 12.44 5.02 -1.26 -4.16 118.16 133.91 1cxl n LYS 526 Ca -0.10 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1cxl n LYS 526 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1cxl n LYS 526 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cxl n GLY 527 N 2.31 2.66 3.09 0.72 0.00 -1.26 -4.28 105.19 108.43 1cxl n GLY 527 Ca 0.14 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 1cxl n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxl s THR 528 N 4.19 0.96 -0.09 2.61 2.01 -0.46 -4.52 115.64 120.34 1cxl s THR 528 Ca 0.00 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1cxl s THR 528 Cb 0.00 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1cxl s THR 528 CO 0.00 0.15 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.24 1cxl s VAL 529 N -0.51 2.95 -0.11 3.82 1.01 0.87 -0.91 120.40 127.53 1cxl s VAL 529 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1cxl s VAL 529 Cb -0.06 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1cxl s VAL 529 CO 0.00 0.56 -0.13 -0.31 0.00 0.00 0.00 175.10 175.21 1cxl s TYR 530 N -0.12 2.78 -0.53 5.22 1.51 0.14 0.25 117.35 126.62 1cxl s TYR 530 Ca -0.02 -0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 55.50 1cxl s TYR 530 Cb -0.14 -1.79 0.14 0.00 -0.11 0.00 0.00 41.96 40.07 1cxl s TYR 530 CO 0.04 -0.10 0.34 -0.06 -1.11 0.00 0.00 175.55 174.66 1cxl s PHE 531 N 0.05 3.49 0.00 2.71 0.40 -0.00 -2.03 117.98 122.60 1cxl s PHE 531 Ca -0.05 -2.53 0.00 0.00 -0.60 0.00 0.00 56.93 53.75 1cxl s PHE 531 Cb -0.14 -3.24 0.00 0.00 0.51 0.00 0.00 43.02 40.15 1cxl s PHE 531 CO 0.04 -0.91 0.00 0.41 0.70 0.00 0.00 175.22 175.46 1cxl n GLY 532 N 4.05 2.25 0.10 4.36 0.00 0.50 -1.57 105.19 114.88 1cxl n GLY 532 Ca 0.03 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1cxl n GLY 532 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cxl h THR 533 N 0.00 0.00 -2.98 2.61 1.35 -1.93 -3.47 112.91 108.50 1cxl h THR 533 Ca 0.00 -0.68 -0.54 0.00 -0.55 0.00 0.00 66.41 64.64 1cxl h THR 533 Cb 0.00 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1cxl h THR 533 CO 0.00 0.00 0.76 -0.89 -0.25 0.00 0.00 175.52 175.14 1cxl s THR 534 N -3.21 3.62 -0.10 6.82 2.01 -0.61 -5.01 115.64 119.15 1cxl s THR 534 Ca 0.05 1.09 -0.12 0.00 0.31 0.00 0.00 61.69 63.03 1cxl s THR 534 Cb 0.11 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1cxl s THR 534 CO 0.71 0.04 0.27 0.00 -0.69 0.00 0.00 174.62 174.96 1cxl s ALA 535 N 1.77 3.72 -0.10 7.40 0.00 -1.26 -0.82 121.76 132.47 1cxl s ALA 535 Ca 0.63 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1cxl s ALA 535 Cb -0.33 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.56 1cxl s ALA 535 CO 0.28 0.39 -0.18 0.08 0.00 0.00 0.00 175.76 176.33 1cxl s VAL 536 N -0.51 1.62 0.28 0.00 1.01 0.14 -4.98 120.40 117.97 1cxl s VAL 536 Ca 0.18 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1cxl s VAL 536 Cb -0.14 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1cxl s VAL 536 CO 0.07 0.46 0.55 -0.94 0.00 0.00 0.00 175.10 175.24 1cxl s SER 537 N 0.71 0.05 0.36 3.32 1.04 -1.26 -0.09 113.70 117.82 1cxl s SER 537 Ca -0.12 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1cxl s SER 537 Cb -0.16 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1cxl s SER 537 CO 0.03 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.59 1cxl n GLY 538 N -0.44 1.23 0.29 7.32 0.00 -1.26 -4.04 105.19 108.29 1cxl n GLY 538 Ca -0.02 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.35 1cxl n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxl h ALA 539 N -0.33 1.18 0.00 4.61 0.00 -1.99 -0.42 119.26 122.31 1cxl h ALA 539 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1cxl h ALA 539 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1cxl h ALA 539 CO 0.00 -0.35 0.00 -0.44 0.00 0.00 0.00 179.25 178.46 1cxl h ASP 540 N 0.32 0.00 -2.59 0.00 5.19 -1.96 -3.32 116.42 114.06 1cxl h ASP 540 Ca 0.49 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 56.23 1cxl h ASP 540 Cb 0.89 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.23 1cxl h ASP 540 CO -0.54 0.00 0.61 -0.63 -3.12 0.00 0.00 179.24 175.56 1cxl s ILE 541 N -3.62 4.58 0.18 0.35 1.01 -0.17 -1.00 121.20 122.52 1cxl s ILE 541 Ca -0.01 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 1cxl s ILE 541 Cb 0.08 -4.70 0.07 0.00 0.01 0.00 0.00 42.46 37.92 1cxl s ILE 541 CO 0.31 -1.43 1.80 0.74 0.00 0.00 0.00 174.94 176.35 1cxl h THR 542 N 5.90 1.00 -2.90 2.92 2.02 -1.04 -3.45 112.91 117.36 1cxl h THR 542 Ca -0.09 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1cxl h THR 542 Cb 1.05 0.42 -0.19 0.00 -1.74 0.00 0.00 68.15 67.69 1cxl h THR 542 CO 1.14 0.10 -0.16 -0.94 0.37 0.00 0.00 175.52 176.02 1cxl s SER 543 N -5.53 -0.28 -0.12 4.18 1.04 -1.10 -4.99 113.70 106.90 1cxl s SER 543 Ca -0.13 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 1cxl s SER 543 Cb 0.13 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1cxl s SER 543 CO 0.73 -0.54 0.27 0.86 0.98 0.00 0.00 173.24 175.55 1cxl s TRP 544 N -1.68 -0.41 0.21 5.02 -0.11 -1.26 -0.98 118.94 119.73 1cxl s TRP 544 Ca -0.10 0.93 -0.06 0.00 1.22 0.00 0.00 56.10 58.08 1cxl s TRP 544 Cb -0.03 0.04 -0.02 0.00 -1.50 0.00 0.00 33.47 31.96 1cxl s TRP 544 CO 0.03 -0.30 0.26 -1.83 -4.62 0.00 0.00 176.95 170.49 1cxl s GLU 545 N 1.77 1.30 0.33 5.86 -1.05 -0.27 -4.76 118.70 121.87 1cxl s GLU 545 Ca -0.05 -1.44 0.11 0.00 -0.15 0.00 0.00 54.97 53.44 1cxl s GLU 545 Cb -0.11 0.35 0.99 0.00 -0.44 0.00 0.00 34.13 34.92 1cxl s GLU 545 CO -0.09 -0.47 1.67 0.22 0.95 0.00 0.00 175.26 177.54 1cxl h ASP 546 N 2.50 0.44 -0.01 0.83 3.58 -1.78 -2.65 116.42 119.33 1cxl h ASP 546 Ca -0.32 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1cxl h ASP 546 Cb 1.24 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1cxl h ASP 546 CO 0.47 -0.11 -0.14 0.35 -2.88 0.00 0.00 179.24 176.93 1cxl n THR 547 N -5.06 0.00 -3.68 2.25 -2.24 -1.26 -1.47 114.28 102.81 1cxl n THR 547 Ca 0.29 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1cxl n THR 547 Cb 0.89 1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 70.19 1cxl n THR 547 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1cxl s GLN 548 N -1.21 0.57 -0.04 -0.78 0.74 -1.00 -1.35 119.66 116.59 1cxl s GLN 548 Ca 0.10 0.84 0.05 0.00 0.05 0.00 0.00 55.36 56.40 1cxl s GLN 548 Cb 0.08 0.18 -0.01 0.00 1.10 0.00 0.00 33.01 34.37 1cxl s GLN 548 CO 0.21 -0.11 -0.19 0.42 -0.55 0.00 0.00 175.29 175.08 1cxl s ILE 549 N 0.84 1.55 -0.21 -2.34 1.01 0.29 -1.11 121.20 121.24 1cxl s ILE 549 Ca -0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1cxl s ILE 549 Cb -0.05 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 1cxl s ILE 549 CO -0.07 0.44 -0.09 -0.54 0.00 0.00 0.00 174.94 174.68 1cxl s LYS 550 N -0.04 3.27 -0.00 2.79 -0.14 -0.15 -0.83 119.74 124.63 1cxl s LYS 550 Ca -0.03 -0.68 -0.01 0.00 -1.36 0.00 0.00 55.97 53.89 1cxl s LYS 550 Cb -0.12 -2.87 -0.00 0.00 -1.68 0.00 0.00 37.83 33.16 1cxl s LYS 550 CO 0.02 -0.18 0.02 0.54 -0.76 0.00 0.00 175.35 174.99 1cxl s VAL 551 N 1.38 0.04 0.13 3.17 0.11 -0.77 -0.74 120.40 123.71 1cxl s VAL 551 Ca 0.05 -0.33 -0.28 0.00 -2.93 0.00 0.00 61.98 58.49 1cxl s VAL 551 Cb -0.14 -0.15 -0.07 0.00 -1.53 0.00 0.00 36.38 34.50 1cxl s VAL 551 CO -0.06 -0.18 0.89 -0.54 -3.33 0.00 0.00 175.10 171.88 1cxl s LYS 552 N -0.53 4.67 0.11 1.54 1.02 -0.17 -0.68 119.74 125.68 1cxl s LYS 552 Ca -0.06 1.33 -0.31 0.00 0.02 0.00 0.00 55.97 56.95 1cxl s LYS 552 Cb -0.04 -3.34 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 1cxl s LYS 552 CO -0.00 0.34 1.55 0.42 -0.92 0.00 0.00 175.35 176.74 1cxl s ILE 553 N -0.41 3.00 0.74 2.17 1.01 -0.08 -4.83 121.20 122.81 1cxl s ILE 553 Ca 0.42 0.62 -0.12 0.00 0.00 0.00 0.00 60.65 61.56 1cxl s ILE 553 Cb -0.23 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 38.89 1cxl s ILE 553 CO 0.28 0.03 1.11 -2.16 0.00 0.00 0.00 174.94 174.20 1cxl s PRO 554 N 1.79 2.32 -1.12 2.79 0.04 -1.26 -0.43 135.00 139.14 1cxl s PRO 554 Ca 0.70 1.32 -0.07 0.00 0.04 0.00 0.00 61.00 62.99 1cxl s PRO 554 Cb -0.40 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 1cxl s PRO 554 CO 0.31 -1.61 2.55 0.00 0.04 0.00 0.00 177.00 178.28 1cxl n ALA 555 N -3.15 5.94 -2.30 8.56 0.00 -1.26 -4.60 120.51 123.70 1cxl n ALA 555 Ca 0.10 -2.56 -0.24 0.00 0.00 0.00 0.00 53.44 50.74 1cxl n ALA 555 Cb 0.52 -3.08 0.01 0.00 0.00 0.00 0.00 19.45 16.90 1cxl n ALA 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1cxl s VAL 556 N 2.70 4.17 0.65 0.00 -7.23 -1.26 -5.05 120.40 114.38 1cxl s VAL 556 Ca 0.53 -0.28 -0.18 0.00 -1.81 0.00 0.00 61.98 60.24 1cxl s VAL 556 Cb 0.15 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 1cxl s VAL 556 CO -0.04 -0.46 1.28 0.00 -0.31 0.00 0.00 175.10 175.56 1cxl s ALA 557 N -2.66 2.38 0.42 1.32 0.00 -1.26 -4.90 121.76 117.06 1cxl s ALA 557 Ca 0.49 1.17 -0.25 0.00 0.00 0.00 0.00 51.96 53.36 1cxl s ALA 557 Cb -0.10 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 1cxl s ALA 557 CO 0.40 -1.57 1.27 0.41 0.00 0.00 0.00 175.76 176.27 1cxl n GLY 558 N 0.81 0.54 0.00 0.00 0.00 -1.26 -4.88 105.19 100.39 1cxl n GLY 558 Ca 0.15 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1cxl n GLY 558 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxl n GLY 559 N 0.82 -2.33 3.68 -0.02 0.00 -0.37 -4.61 105.19 102.36 1cxl n GLY 559 Ca 0.07 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1cxl n GLY 559 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cxl s ASN 560 N -1.43 6.13 0.06 1.61 2.47 -1.26 -0.10 114.94 122.42 1cxl s ASN 560 Ca 0.00 0.15 0.06 0.00 0.42 0.00 0.00 52.86 53.49 1cxl s ASN 560 Cb 0.00 -2.10 -0.03 0.00 -1.45 0.00 0.00 41.25 37.68 1cxl s ASN 560 CO 0.00 0.10 -0.16 -0.31 -3.72 0.00 0.00 177.10 173.01 1cxl s TYR 561 N 0.82 1.39 -0.08 0.43 1.51 0.15 -4.91 117.35 116.65 1cxl s TYR 561 Ca 0.08 -0.41 -0.18 0.00 -1.01 0.00 0.00 57.07 55.55 1cxl s TYR 561 Cb -0.13 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 1cxl s TYR 561 CO 0.02 0.08 0.49 -0.80 -1.11 0.00 0.00 175.55 174.23 1cxl s ASN 562 N -1.50 6.75 -0.04 2.29 0.01 -1.26 -0.36 114.94 120.82 1cxl s ASN 562 Ca 0.02 0.90 -0.12 0.00 -0.71 0.00 0.00 52.86 52.94 1cxl s ASN 562 Cb -0.09 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1cxl s ASN 562 CO 0.02 0.06 0.32 -0.63 -1.51 0.00 0.00 177.10 175.37 1cxl s ILE 563 N 0.26 5.18 0.02 0.60 -1.09 0.13 -0.37 121.20 125.92 1cxl s ILE 563 Ca 0.27 0.64 -0.18 0.00 -2.23 0.00 0.00 60.65 59.15 1cxl s ILE 563 Cb -0.16 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1cxl s ILE 563 CO 0.12 0.59 0.40 -0.75 -1.23 0.00 0.00 174.94 174.07 1cxl s LYS 564 N -1.06 0.86 0.22 2.79 2.20 -0.86 -0.13 119.74 123.76 1cxl s LYS 564 Ca 0.21 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 1cxl s LYS 564 Cb -0.15 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1cxl s LYS 564 CO 0.10 -0.28 -0.02 0.14 -0.36 0.00 0.00 175.35 174.94 1cxl s VAL 565 N -2.04 1.09 -0.01 4.02 -7.23 -1.26 0.29 120.40 115.26 1cxl s VAL 565 Ca -0.08 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1cxl s VAL 565 Cb -0.02 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.63 1cxl s VAL 565 CO 0.01 -0.37 -0.00 0.00 -0.31 0.00 0.00 175.10 174.42 1cxl s ALA 566 N -3.38 0.10 1.04 1.32 0.00 -0.08 -0.26 121.76 120.49 1cxl s ALA 566 Ca 0.27 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 1cxl s ALA 566 Cb 0.05 -0.09 0.21 0.00 0.00 0.00 0.00 23.12 23.30 1cxl s ALA 566 CO 0.08 -0.01 1.16 0.54 0.00 0.00 0.00 175.76 177.53 1cxl s ASN 567 N 0.26 2.37 0.58 0.00 2.20 -0.39 -1.36 114.94 118.60 1cxl s ASN 567 Ca -0.02 0.71 0.28 0.00 -0.94 0.00 0.00 52.86 52.89 1cxl s ASN 567 Cb -0.04 -1.06 1.54 0.00 -2.00 0.00 0.00 41.25 39.69 1cxl s ASN 567 CO -0.01 -3.23 2.02 0.00 -2.94 0.00 0.00 177.10 172.94 1cxl h ALA 568 N -1.97 2.06 0.00 3.54 0.00 -1.75 0.17 119.26 121.31 1cxl h ALA 568 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1cxl h ALA 568 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1cxl h ALA 568 CO 0.46 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1cxl n ALA 569 N -2.41 2.30 0.00 0.00 0.00 -1.26 -4.92 120.51 114.22 1cxl n ALA 569 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1cxl n ALA 569 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1cxl n ALA 569 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cxl n GLY 570 N 1.40 0.52 3.68 0.00 0.00 0.58 -5.06 105.19 106.31 1cxl n GLY 570 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1cxl n GLY 570 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxl s THR 571 N -2.00 4.22 0.39 2.61 2.01 -1.26 -4.73 115.64 116.88 1cxl s THR 571 Ca 0.00 1.52 -0.18 0.00 0.31 0.00 0.00 61.69 63.34 1cxl s THR 571 Cb 0.00 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 1cxl s THR 571 CO 0.00 -0.06 0.85 0.00 -0.69 0.00 0.00 174.62 174.73 1cxl s ALA 572 N 2.77 3.18 0.47 7.40 0.00 -1.26 -1.26 121.76 133.05 1cxl s ALA 572 Ca 0.56 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.76 1cxl s ALA 572 Cb -0.24 -2.96 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1cxl s ALA 572 CO 0.19 0.18 0.58 -1.13 0.00 0.00 0.00 175.76 175.58 1cxl n SER 573 N -0.62 1.18 -4.72 0.00 3.41 0.64 -4.74 113.62 108.76 1cxl n SER 573 Ca 0.05 -1.90 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 1cxl n SER 573 Cb 0.54 -0.34 0.15 0.00 -0.26 0.00 0.00 64.21 64.30 1cxl n SER 573 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cxl s ASN 574 N -3.47 3.19 -0.16 4.04 4.22 -1.26 -4.74 114.94 116.75 1cxl s ASN 574 Ca 0.41 1.20 -0.08 0.00 -2.14 0.00 0.00 52.86 52.26 1cxl s ASN 574 Cb -0.03 -1.86 -0.04 0.00 1.28 0.00 0.00 41.25 40.60 1cxl s ASN 574 CO 0.27 -2.78 0.10 -0.69 -2.04 0.00 0.00 177.10 171.96 1cxl s VAL 575 N -3.05 5.15 -0.39 3.54 1.01 -1.26 -4.55 120.40 120.85 1cxl s VAL 575 Ca 0.64 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 1cxl s VAL 575 Cb -0.17 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 32.98 1cxl s VAL 575 CO 0.56 0.51 0.20 -0.47 0.00 0.00 0.00 175.10 175.89 1cxl s TYR 576 N -0.09 3.35 0.28 5.22 5.04 0.81 -4.95 117.35 127.01 1cxl s TYR 576 Ca 0.09 -1.66 -0.01 0.00 -2.44 0.00 0.00 57.07 53.05 1cxl s TYR 576 Cb -0.12 -2.78 0.06 0.00 0.35 0.00 0.00 41.96 39.47 1cxl s TYR 576 CO 0.00 -0.84 0.38 -0.40 -1.34 0.00 0.00 175.55 173.36 1cxl n ASP 577 N 4.83 0.42 -1.02 4.32 5.68 -1.26 0.17 116.55 129.68 1cxl n ASP 577 Ca -0.10 -1.38 -0.11 0.00 -0.50 0.00 0.00 54.79 52.71 1cxl n ASP 577 Cb 0.43 -0.25 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 1cxl n ASP 577 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1cxl n ASN 578 N -3.02 -3.98 -4.73 -1.12 5.15 -1.23 -4.82 115.26 101.52 1cxl n ASN 578 Ca 0.06 0.14 -0.41 0.00 -0.60 0.00 0.00 54.58 53.77 1cxl n ASN 578 Cb 0.21 -2.80 -0.04 0.00 -0.53 0.00 0.00 39.78 36.63 1cxl n ASN 578 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1cxl s PHE 579 N -2.47 3.69 -0.27 1.20 2.19 0.51 -4.83 117.98 118.00 1cxl s PHE 579 Ca 0.00 1.67 -0.06 0.00 0.33 0.00 0.00 56.93 58.87 1cxl s PHE 579 Cb 0.00 -3.16 0.00 0.00 -1.31 0.00 0.00 43.02 38.55 1cxl s PHE 579 CO 0.00 -0.20 0.04 -2.00 1.83 0.00 0.00 175.22 174.89 1cxl s GLU 580 N 0.25 3.23 -0.23 10.12 2.12 -0.10 0.33 118.70 134.41 1cxl s GLU 580 Ca 0.50 -0.75 -0.18 0.00 0.36 0.00 0.00 54.97 54.89 1cxl s GLU 580 Cb -0.25 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1cxl s GLU 580 CO 0.31 -0.35 0.53 0.08 -0.54 0.00 0.00 175.26 175.29 1cxl s VAL 581 N 1.50 5.08 0.66 3.70 1.01 0.86 -1.97 120.40 131.24 1cxl s VAL 581 Ca 0.04 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 62.85 1cxl s VAL 581 Cb -0.16 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1cxl s VAL 581 CO 0.01 0.13 1.05 -0.76 0.00 0.00 0.00 175.10 175.53 1cxl s LEU 582 N 1.99 3.13 0.00 3.92 1.43 0.61 -1.24 118.68 128.52 1cxl s LEU 582 Ca 0.23 1.43 0.31 0.00 -1.03 0.00 0.00 54.13 55.07 1cxl s LEU 582 Cb -0.15 -4.38 1.60 0.00 0.03 0.00 0.00 46.19 43.29 1cxl s LEU 582 CO 0.09 -1.14 2.07 -1.20 0.23 0.00 0.00 176.35 176.40 1cxl n SER 583 N -2.92 0.24 0.00 2.29 7.64 -1.26 -4.34 113.62 115.26 1cxl n SER 583 Ca 0.07 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.19 1cxl n SER 583 Cb 0.54 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1cxl n SER 583 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cxl n GLY 584 N 1.14 0.17 3.72 0.23 0.00 -1.26 -4.94 105.19 104.24 1cxl n GLY 584 Ca 0.19 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 1cxl n GLY 584 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cxl n ASP 585 N 1.63 1.81 -4.58 1.61 8.00 -1.26 -4.77 116.55 119.00 1cxl n ASP 585 Ca 0.00 0.77 -0.28 0.00 0.71 0.00 0.00 54.79 55.99 1cxl n ASP 585 Cb 0.00 -1.55 -0.09 0.00 -0.02 0.00 0.00 41.12 39.46 1cxl n ASP 585 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cxl s GLN 586 N -3.56 2.09 0.05 -1.24 -1.52 -1.26 -0.21 119.66 114.01 1cxl s GLN 586 Ca 0.80 -1.18 0.04 0.00 -1.95 0.00 0.00 55.36 53.07 1cxl s GLN 586 Cb -0.36 -2.22 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1cxl s GLN 586 CO 0.43 0.46 -0.11 0.14 -0.25 0.00 0.00 175.29 175.96 1cxl s VAL 587 N -1.52 0.80 -0.30 1.09 -7.23 -0.04 -4.76 120.40 108.44 1cxl s VAL 587 Ca 0.24 -1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 59.09 1cxl s VAL 587 Cb -0.10 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 36.01 1cxl s VAL 587 CO 0.15 -0.29 0.47 -0.55 -0.31 0.00 0.00 175.10 174.58 1cxl s SER 588 N -1.59 6.34 -0.07 4.85 0.15 -1.26 -1.17 113.70 120.95 1cxl s SER 588 Ca -0.06 0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.88 1cxl s SER 588 Cb -0.10 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 1cxl s SER 588 CO 0.01 -0.34 -0.23 -0.69 1.20 0.00 0.00 173.24 173.20 1cxl s VAL 589 N 2.27 2.25 -0.25 4.45 1.01 -0.03 -3.54 120.40 126.56 1cxl s VAL 589 Ca 0.18 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 1cxl s VAL 589 Cb -0.16 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1cxl s VAL 589 CO 0.11 0.57 0.45 -0.60 0.00 0.00 0.00 175.10 175.63 1cxl s ARG 590 N -0.13 4.09 -0.18 2.72 3.52 0.10 -0.35 118.95 128.72 1cxl s ARG 590 Ca -0.04 0.23 -0.09 0.00 -0.13 0.00 0.00 55.73 55.70 1cxl s ARG 590 Cb -0.14 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 1cxl s ARG 590 CO 0.04 -0.25 0.13 -0.06 -0.81 0.00 0.00 175.30 174.35 1cxl s PHE 591 N 1.98 3.45 -0.08 5.12 0.40 0.12 -0.61 117.98 128.36 1cxl s PHE 591 Ca 0.19 0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.91 1cxl s PHE 591 Cb -0.15 -2.10 0.01 0.00 0.51 0.00 0.00 43.02 41.29 1cxl s PHE 591 CO 0.09 0.39 -0.12 0.08 0.70 0.00 0.00 175.22 176.36 1cxl s VAL 592 N 0.02 1.18 -0.12 -0.44 1.01 0.43 -1.54 120.40 120.93 1cxl s VAL 592 Ca 0.10 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1cxl s VAL 592 Cb -0.11 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1cxl s VAL 592 CO -0.00 0.37 -0.18 0.54 0.00 0.00 0.00 175.10 175.82 1cxl s VAL 593 N 0.81 1.75 0.05 2.92 0.11 -0.00 -0.80 120.40 125.23 1cxl s VAL 593 Ca -0.12 -0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1cxl s VAL 593 Cb -0.15 -1.57 -0.05 0.00 -1.53 0.00 0.00 36.38 33.07 1cxl s VAL 593 CO 0.02 0.49 0.32 0.20 -3.33 0.00 0.00 175.10 172.80 1cxl s ASN 594 N 0.90 6.53 -1.17 3.54 0.01 0.12 -0.90 114.94 123.97 1cxl s ASN 594 Ca -0.07 0.61 -0.03 0.00 -0.71 0.00 0.00 52.86 52.66 1cxl s ASN 594 Cb -0.15 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 1cxl s ASN 594 CO -0.02 0.20 0.92 0.59 -1.51 0.00 0.00 177.10 177.28 1cxl n ASN 595 N 0.87 -3.44 -4.11 -1.22 3.02 -1.04 -1.15 115.26 108.19 1cxl n ASN 595 Ca -0.09 -0.70 -0.37 0.00 -0.03 0.00 0.00 54.58 53.39 1cxl n ASN 595 Cb 0.52 -4.89 -0.08 0.00 -0.61 0.00 0.00 39.78 34.72 1cxl n ASN 595 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cxl s ALA 596 N -3.42 3.88 0.35 5.41 0.00 0.61 -4.57 121.76 124.02 1cxl s ALA 596 Ca 0.16 -3.51 -0.26 0.00 0.00 0.00 0.00 51.96 48.35 1cxl s ALA 596 Cb -0.03 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.22 1cxl s ALA 596 CO 0.75 -2.14 1.08 0.95 0.00 0.00 0.00 175.76 176.40 1cxl s THR 597 N -0.59 3.57 0.19 0.00 -4.23 -1.26 -4.79 115.64 108.53 1cxl s THR 597 Ca 0.21 1.36 -0.03 0.00 -1.18 0.00 0.00 61.69 62.05 1cxl s THR 597 Cb -0.14 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 1cxl s THR 597 CO -0.07 0.16 0.17 0.42 -0.54 0.00 0.00 174.62 174.76 1cxl s THR 598 N -1.43 0.03 0.16 3.99 -4.23 -1.26 -5.10 115.64 107.80 1cxl s THR 598 Ca 0.52 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1cxl s THR 598 Cb -0.27 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1cxl s THR 598 CO 0.34 -0.14 0.23 0.00 -0.54 0.00 0.00 174.62 174.52 1cxl s ALA 599 N -4.10 3.83 -0.10 3.99 0.00 -1.26 -5.00 121.76 119.12 1cxl s ALA 599 Ca 0.31 -1.10 -0.38 0.00 0.00 0.00 0.00 51.96 50.79 1cxl s ALA 599 Cb 0.06 -1.63 -0.16 0.00 0.00 0.00 0.00 23.12 21.38 1cxl s ALA 599 CO 0.08 0.52 1.56 -0.11 0.00 0.00 0.00 175.76 177.82 1cxl n LEU 600 N -0.49 2.08 0.00 0.00 7.94 -1.26 -0.47 117.00 124.81 1cxl n LEU 600 Ca -0.07 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 1cxl n LEU 600 Cb 0.54 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.32 1cxl n LEU 600 CO 0.47 -0.70 0.00 0.61 -1.11 0.00 0.00 177.39 176.66 1cxl n GLY 601 N 3.42 2.55 3.79 -3.96 0.00 -1.26 -5.04 105.19 104.70 1cxl n GLY 601 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1cxl n GLY 601 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cxl s GLN 602 N -0.88 4.06 0.10 1.61 0.74 0.38 -4.65 119.66 121.01 1cxl s GLN 602 Ca 0.00 0.33 0.04 0.00 0.05 0.00 0.00 55.36 55.78 1cxl s GLN 602 Cb 0.00 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 1cxl s GLN 602 CO 0.00 0.49 -0.10 -0.80 -0.55 0.00 0.00 175.29 174.33 1cxl s ASN 603 N -0.39 1.45 0.05 6.67 0.01 -0.09 -4.60 114.94 118.04 1cxl s ASN 603 Ca 0.22 -0.83 -0.21 0.00 -0.71 0.00 0.00 52.86 51.34 1cxl s ASN 603 Cb -0.15 0.01 -0.06 0.00 0.41 0.00 0.00 41.25 41.46 1cxl s ASN 603 CO 0.10 -0.28 0.61 -0.69 -1.51 0.00 0.00 177.10 175.34 1cxl s VAL 604 N -2.54 4.77 0.18 1.60 1.01 -1.26 -0.38 120.40 123.78 1cxl s VAL 604 Ca 0.06 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.38 1cxl s VAL 604 Cb -0.02 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1cxl s VAL 604 CO -0.00 0.49 -0.06 -0.31 0.00 0.00 0.00 175.10 175.21 1cxl s TYR 605 N -0.68 1.38 -0.07 5.22 1.51 0.25 -0.52 117.35 124.44 1cxl s TYR 605 Ca 0.31 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 1cxl s TYR 605 Cb -0.19 -0.74 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1cxl s TYR 605 CO 0.19 0.03 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.36 1cxl s LEU 606 N -3.22 2.83 0.06 -1.29 2.96 0.50 -0.39 118.68 120.13 1cxl s LEU 606 Ca 0.21 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1cxl s LEU 606 Cb 0.04 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1cxl s LEU 606 CO 0.04 0.31 -0.05 0.28 -1.32 0.00 0.00 176.35 175.61 1cxl s THR 607 N -0.51 0.42 0.10 3.68 -1.32 -0.43 -0.07 115.64 117.50 1cxl s THR 607 Ca 0.07 -1.47 -0.17 0.00 -1.21 0.00 0.00 61.69 58.91 1cxl s THR 607 Cb -0.12 -1.06 0.06 0.00 -1.51 0.00 0.00 72.50 69.87 1cxl s THR 607 CO 0.02 -0.70 0.82 0.61 -2.21 0.00 0.00 174.62 173.16 1cxl n GLY 608 N 0.74 0.65 0.03 6.08 0.00 -1.11 -1.28 105.19 110.30 1cxl n GLY 608 Ca -0.18 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1cxl n GLY 608 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cxl n SER 609 N -1.04 0.04 -4.16 1.61 3.41 0.05 -0.64 113.62 112.88 1cxl n SER 609 Ca -0.00 -1.46 -0.16 0.00 -0.26 0.00 0.00 58.87 56.99 1cxl n SER 609 Cb 0.44 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 1cxl n SER 609 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1cxl s VAL 610 N -1.95 0.95 0.51 -3.33 -7.23 -1.26 -4.88 120.40 103.22 1cxl s VAL 610 Ca 0.00 -1.46 0.22 0.00 -1.81 0.00 0.00 61.98 58.93 1cxl s VAL 610 Cb 0.00 -1.17 0.38 0.00 0.56 0.00 0.00 36.38 36.15 1cxl s VAL 610 CO 0.00 -0.42 2.00 0.77 -0.31 0.00 0.00 175.10 177.14 1cxl h SER 611 N 3.92 0.07 0.25 4.85 4.64 -1.87 0.33 113.55 125.73 1cxl h SER 611 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1cxl h SER 611 Cb 1.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1cxl h SER 611 CO 0.47 0.04 0.00 -0.33 -0.87 0.00 0.00 176.83 176.14 1cxl h GLU 612 N 0.08 0.00 -0.31 4.77 3.07 -1.93 0.32 114.58 120.57 1cxl h GLU 612 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1cxl h GLU 612 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1cxl h GLU 612 CO -0.02 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.87 1cxl n LEU 613 N -3.05 2.89 0.00 1.33 4.77 0.10 -4.91 117.00 118.14 1cxl n LEU 613 Ca -0.02 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 1cxl n LEU 613 Cb 0.13 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1cxl n LEU 613 CO 0.21 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1cxl n GLY 614 N 0.38 0.65 3.99 -0.72 0.00 0.10 -2.77 105.19 106.82 1cxl n GLY 614 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1cxl n GLY 614 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cxl n ASN 615 N 0.00 -0.92 0.00 1.61 3.02 -0.55 -1.41 115.26 117.01 1cxl n ASN 615 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1cxl n ASN 615 Cb 0.00 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 1cxl n ASN 615 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1cxl n TRP 616 N -4.41 0.00 -3.01 3.10 7.02 0.19 -4.94 117.44 115.38 1cxl n TRP 616 Ca -0.24 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.81 1cxl n TRP 616 Cb 0.65 -1.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.48 1cxl n TRP 616 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1cxl s ASP 617 N -2.19 6.38 0.53 -0.99 -1.08 -0.50 -4.92 116.67 113.89 1cxl s ASP 617 Ca 0.00 -0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.07 1cxl s ASP 617 Cb 0.00 -2.36 1.38 0.00 -1.46 0.00 0.00 42.92 40.47 1cxl s ASP 617 CO 0.00 -0.88 2.00 -0.65 0.52 0.00 0.00 175.17 176.16 1cxl h PRO 618 N 8.96 0.01 0.00 4.34 0.11 -1.93 0.42 132.00 143.91 1cxl h PRO 618 Ca -0.25 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1cxl h PRO 618 Cb 1.09 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1cxl h PRO 618 CO 0.94 0.01 -0.01 0.00 -0.21 0.00 0.00 178.00 178.74 1cxl h ALA 619 N 1.74 1.01 -0.27 -0.75 0.00 -1.94 -2.31 119.26 116.74 1cxl h ALA 619 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1cxl h ALA 619 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1cxl h ALA 619 CO -0.01 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1cxl n LYS 620 N -3.12 2.87 -1.49 0.00 5.02 0.14 -5.05 118.16 116.54 1cxl n LYS 620 Ca -0.01 -2.57 -0.33 0.00 -2.02 0.00 0.00 58.31 53.38 1cxl n LYS 620 Cb 0.21 -1.64 0.08 0.00 -0.02 0.00 0.00 35.03 33.66 1cxl n LYS 620 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cxl s ALA 621 N -2.24 2.22 -0.12 7.82 0.00 -0.87 -3.98 121.76 124.60 1cxl s ALA 621 Ca 0.35 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 1cxl s ALA 621 Cb 0.27 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1cxl s ALA 621 CO 0.11 -1.69 0.68 0.42 0.00 0.00 0.00 175.76 175.27 1cxl s ILE 622 N -2.28 5.03 -5.00 0.00 -1.09 0.90 -4.85 121.20 113.91 1cxl s ILE 622 Ca 0.69 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 60.47 1cxl s ILE 622 Cb -0.24 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1cxl s ILE 622 CO 0.46 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.97 1cxl n GLY 623 N 3.33 0.33 3.76 6.18 0.00 -1.26 -0.37 105.19 117.17 1cxl n GLY 623 Ca -0.01 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1cxl n GLY 623 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cxl s PRO 624 N -2.00 3.33 0.86 1.61 0.04 -1.26 -5.08 135.00 132.50 1cxl s PRO 624 Ca 0.00 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1cxl s PRO 624 Cb 0.00 -2.15 0.11 0.00 0.04 0.00 0.00 34.50 32.49 1cxl s PRO 624 CO 0.00 -0.91 1.10 -1.64 0.04 0.00 0.00 177.00 175.59 1cxl s MET 625 N -3.05 1.59 0.27 4.56 -1.94 0.32 -5.02 119.30 116.04 1cxl s MET 625 Ca 0.71 0.60 0.01 0.00 -1.71 0.00 0.00 55.69 55.30 1cxl s MET 625 Cb -0.30 -1.86 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 1cxl s MET 625 CO 0.34 -1.96 0.45 0.71 -0.01 0.00 0.00 175.02 174.56 1cxl s TYR 626 N -3.12 3.48 0.00 -0.03 2.02 0.10 -4.80 117.35 115.01 1cxl s TYR 626 Ca 0.62 0.27 0.02 0.00 -0.37 0.00 0.00 57.07 57.61 1cxl s TYR 626 Cb -0.16 -1.81 0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1cxl s TYR 626 CO 0.55 0.28 0.92 0.27 -1.57 0.00 0.00 175.55 176.00 1cxl n ASN 627 N -1.31 -0.67 0.01 2.29 0.23 -1.26 -0.65 115.26 113.89 1cxl n ASN 627 Ca -0.06 -1.82 -0.02 0.00 -0.53 0.00 0.00 54.58 52.15 1cxl n ASN 627 Cb 0.56 0.20 -0.01 0.00 -2.08 0.00 0.00 39.78 38.44 1cxl n ASN 627 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cxl n GLN 628 N 0.03 0.14 0.00 -3.83 6.02 -1.02 -1.08 117.38 117.65 1cxl n GLN 628 Ca -0.20 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1cxl n GLN 628 Cb 0.69 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 31.25 1cxl n GLN 628 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1cxl n VAL 629 N -3.64 0.00 -0.21 5.09 0.31 -1.26 -4.46 118.33 114.16 1cxl n VAL 629 Ca -0.04 0.29 -0.08 0.00 -0.01 0.00 0.00 64.34 64.51 1cxl n VAL 629 Cb 0.13 -0.64 0.03 0.00 -0.91 0.00 0.00 33.84 32.45 1cxl n VAL 629 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1cxl h VAL 630 N 0.00 1.24 -3.46 2.52 2.07 -1.95 -3.44 116.25 113.23 1cxl h VAL 630 Ca 0.00 -0.83 -0.37 0.00 0.82 0.00 0.00 66.70 66.32 1cxl h VAL 630 Cb 0.00 0.66 -0.16 0.00 -1.52 0.00 0.00 31.29 30.27 1cxl h VAL 630 CO 0.00 0.31 -0.73 -0.31 0.02 0.00 0.00 177.57 176.86 1cxl s TYR 631 N -5.40 1.32 0.01 1.57 1.51 -1.26 -5.15 117.35 109.96 1cxl s TYR 631 Ca -0.13 -0.65 0.08 0.00 -1.01 0.00 0.00 57.07 55.36 1cxl s TYR 631 Cb 0.13 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1cxl s TYR 631 CO 0.81 0.12 -0.22 -0.65 -1.11 0.00 0.00 175.55 174.49 1cxl s GLN 632 N -3.21 2.05 0.31 -0.62 1.11 -1.26 -2.44 119.66 115.60 1cxl s GLN 632 Ca 0.13 -0.97 -0.27 0.00 0.01 0.00 0.00 55.36 54.25 1cxl s GLN 632 Cb -0.01 -2.11 -0.14 0.00 -1.01 0.00 0.00 33.01 29.75 1cxl s GLN 632 CO 0.02 0.55 0.92 0.98 0.01 0.00 0.00 175.29 177.77 1cxl n TYR 633 N 1.95 0.94 0.90 0.91 4.19 -0.24 -0.35 117.16 125.47 1cxl n TYR 633 Ca -0.16 0.70 0.00 0.00 3.31 0.00 0.00 57.90 61.75 1cxl n TYR 633 Cb 0.52 -2.20 0.02 0.00 0.49 0.00 0.00 39.34 38.17 1cxl n TYR 633 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1cxl n PRO 634 N 0.66 1.17 -3.81 2.98 -0.04 -1.26 -5.06 135.00 129.64 1cxl n PRO 634 Ca 0.10 -0.16 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 1cxl n PRO 634 Cb 0.33 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1cxl n PRO 634 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1cxl s ASN 635 N 0.12 6.43 0.15 3.54 0.01 0.53 -0.29 114.94 125.43 1cxl s ASN 635 Ca 0.03 0.52 0.08 0.00 -0.71 0.00 0.00 52.86 52.78 1cxl s ASN 635 Cb 0.02 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 1cxl s ASN 635 CO 0.01 0.38 -0.18 0.26 -1.51 0.00 0.00 177.10 176.05 1cxl s TRP 636 N -0.91 1.79 0.09 2.20 0.52 -0.08 -4.07 118.94 118.48 1cxl s TRP 636 Ca 0.16 -0.46 -0.09 0.00 0.02 0.00 0.00 56.10 55.73 1cxl s TRP 636 Cb -0.13 -0.91 -0.00 0.00 -1.15 0.00 0.00 33.47 31.28 1cxl s TRP 636 CO 0.05 0.30 0.19 1.52 0.02 0.00 0.00 176.95 179.03 1cxl s TYR 637 N -1.89 0.17 -0.27 -1.98 1.13 0.17 -0.82 117.35 113.87 1cxl s TYR 637 Ca 0.14 -0.60 -0.26 0.00 -1.41 0.00 0.00 57.07 54.94 1cxl s TYR 637 Cb -0.06 -0.06 0.12 0.00 -1.10 0.00 0.00 41.96 40.85 1cxl s TYR 637 CO 0.06 -0.55 1.03 -0.47 -2.51 0.00 0.00 175.55 173.10 1cxl s TYR 638 N -3.87 -0.47 -0.23 -3.49 5.04 -0.59 -0.72 117.35 113.02 1cxl s TYR 638 Ca 0.06 1.11 -0.14 0.00 -2.44 0.00 0.00 57.07 55.65 1cxl s TYR 638 Cb 0.05 0.37 -0.04 0.00 0.35 0.00 0.00 41.96 42.69 1cxl s TYR 638 CO -0.10 -0.24 0.32 -0.51 -1.34 0.00 0.00 175.55 173.68 1cxl s ASP 639 N 0.09 6.29 0.02 4.32 1.01 -1.26 -0.70 116.67 126.42 1cxl s ASP 639 Ca 0.03 0.33 0.05 0.00 0.71 0.00 0.00 52.55 53.67 1cxl s ASP 639 Cb -0.05 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1cxl s ASP 639 CO -0.05 -0.07 -0.16 -0.69 0.21 0.00 0.00 175.17 174.41 1cxl s VAL 640 N 1.48 1.24 -0.31 -1.27 1.01 0.52 -3.02 120.40 120.05 1cxl s VAL 640 Ca 0.14 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 1cxl s VAL 640 Cb -0.15 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1cxl s VAL 640 CO 0.08 0.19 0.94 -0.55 0.00 0.00 0.00 175.10 175.76 1cxl s SER 641 N -0.78 6.82 0.16 3.32 0.15 -1.23 -0.85 113.70 121.30 1cxl s SER 641 Ca 0.05 0.89 0.06 0.00 0.70 0.00 0.00 55.95 57.65 1cxl s SER 641 Cb -0.07 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1cxl s SER 641 CO 0.00 -0.75 -0.14 0.68 1.20 0.00 0.00 173.24 174.24 1cxl s VAL 642 N 3.30 1.49 -0.00 4.45 -7.23 -0.32 -4.85 120.40 117.25 1cxl s VAL 642 Ca 0.39 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 1cxl s VAL 642 Cb -0.13 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 1cxl s VAL 642 CO 0.13 -0.56 1.57 -2.16 -0.31 0.00 0.00 175.10 173.76 1cxl s PRO 643 N -3.34 4.22 0.28 4.82 0.04 -1.26 -0.86 135.00 138.90 1cxl s PRO 643 Ca 0.17 2.15 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 1cxl s PRO 643 Cb -0.01 -3.73 -0.13 0.00 0.04 0.00 0.00 34.50 30.67 1cxl s PRO 643 CO 0.04 -0.72 1.36 0.00 0.04 0.00 0.00 177.00 177.71 1cxl n ALA 644 N 6.07 1.16 -0.93 8.56 0.00 0.70 -2.59 120.51 133.48 1cxl n ALA 644 Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1cxl n ALA 644 Cb 0.42 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1cxl n ALA 644 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cxl n GLY 645 N 1.65 0.09 3.84 0.00 0.00 -0.09 -4.88 105.19 105.81 1cxl n GLY 645 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1cxl n GLY 645 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cxl s LYS 646 N -1.57 4.02 -0.25 1.61 1.02 -1.07 -4.66 119.74 118.84 1cxl s LYS 646 Ca 0.00 0.57 -0.22 0.00 0.02 0.00 0.00 55.97 56.34 1cxl s LYS 646 Cb 0.00 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1cxl s LYS 646 CO 0.00 0.40 0.70 0.99 -0.92 0.00 0.00 175.35 176.51 1cxl s THR 647 N -1.59 4.93 -0.04 2.17 2.01 -1.26 -1.03 115.64 120.83 1cxl s THR 647 Ca 0.42 1.27 0.06 0.00 0.31 0.00 0.00 61.69 63.75 1cxl s THR 647 Cb -0.14 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 1cxl s THR 647 CO 0.20 -0.02 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.27 1cxl s ILE 648 N 2.63 1.70 -0.06 1.82 1.01 0.14 -4.97 121.20 123.46 1cxl s ILE 648 Ca 0.29 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 1cxl s ILE 648 Cb -0.15 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1cxl s ILE 648 CO 0.08 0.48 0.13 -1.61 0.00 0.00 0.00 174.94 174.02 1cxl s GLU 649 N -0.24 3.32 0.21 2.79 2.02 -1.26 -1.41 118.70 124.13 1cxl s GLU 649 Ca 0.01 -0.28 -0.16 0.00 0.02 0.00 0.00 54.97 54.56 1cxl s GLU 649 Cb -0.11 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.08 1cxl s GLU 649 CO 0.01 0.71 0.50 -0.59 0.02 0.00 0.00 175.26 175.92 1cxl s PHE 650 N -1.14 0.04 0.14 1.61 -0.71 0.09 -0.77 117.98 117.24 1cxl s PHE 650 Ca 0.20 -0.40 -0.11 0.00 -1.04 0.00 0.00 56.93 55.58 1cxl s PHE 650 Cb -0.12 0.32 0.01 0.00 -1.21 0.00 0.00 43.02 42.02 1cxl s PHE 650 CO 0.10 -0.94 0.31 0.15 -1.34 0.00 0.00 175.22 173.50 1cxl s LYS 651 N -3.92 1.07 0.17 1.99 1.02 -0.40 -0.06 119.74 119.61 1cxl s LYS 651 Ca 0.13 -0.97 0.05 0.00 0.02 0.00 0.00 55.97 55.20 1cxl s LYS 651 Cb -0.01 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.67 1cxl s LYS 651 CO 0.01 -0.39 0.18 -0.06 -0.92 0.00 0.00 175.35 174.16 1cxl s PHE 652 N -3.89 3.21 0.12 3.18 0.40 -1.26 -1.32 117.98 118.43 1cxl s PHE 652 Ca 0.09 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.46 1cxl s PHE 652 Cb 0.03 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1cxl s PHE 652 CO -0.06 0.52 -0.10 -0.51 0.70 0.00 0.00 175.22 175.76 1cxl s LEU 653 N -3.24 2.47 -0.22 -0.37 1.43 0.47 -2.15 118.68 117.08 1cxl s LEU 653 Ca 0.32 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1cxl s LEU 653 Cb -0.10 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.81 1cxl s LEU 653 CO 0.25 -0.29 -0.14 -0.54 0.23 0.00 0.00 176.35 175.85 1cxl s LYS 654 N -3.28 2.79 -0.01 1.70 1.02 0.50 -0.58 119.74 121.88 1cxl s LYS 654 Ca 0.11 -0.98 0.07 0.00 0.02 0.00 0.00 55.97 55.19 1cxl s LYS 654 Cb -0.00 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1cxl s LYS 654 CO 0.00 -0.34 -0.22 0.15 -0.92 0.00 0.00 175.35 174.03 1cxl s LYS 655 N 1.26 1.71 -0.23 1.68 1.02 0.49 -0.19 119.74 125.48 1cxl s LYS 655 Ca 0.01 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 1cxl s LYS 655 Cb -0.16 -1.69 0.07 0.00 -0.52 0.00 0.00 37.83 35.53 1cxl s LYS 655 CO -0.09 0.46 0.02 -1.14 -0.92 0.00 0.00 175.35 173.68 1cxl s GLN 656 N -0.63 0.95 6.71 1.68 0.74 -0.61 -0.92 119.66 127.57 1cxl s GLN 656 Ca 0.08 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 54.79 1cxl s GLN 656 Cb -0.08 -2.24 0.00 0.00 1.10 0.00 0.00 33.01 31.79 1cxl s GLN 656 CO -0.00 -0.69 0.00 0.41 -0.55 0.00 0.00 175.29 174.46 1cxl n GLY 657 N 4.90 2.71 0.98 2.59 0.00 -1.26 -1.04 105.19 114.06 1cxl n GLY 657 Ca -0.09 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.71 1cxl n GLY 657 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cxl n SER 658 N 3.80 2.93 -4.69 1.61 3.41 -1.26 -4.89 113.62 114.52 1cxl n SER 658 Ca 0.00 -1.92 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 1cxl n SER 658 Cb 0.00 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1cxl n SER 658 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cxl s THR 659 N -1.58 4.73 -0.01 6.66 2.01 -0.21 -5.03 115.64 122.21 1cxl s THR 659 Ca 0.37 2.00 0.06 0.00 0.31 0.00 0.00 61.69 64.42 1cxl s THR 659 Cb 0.21 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 1cxl s THR 659 CO 0.30 0.01 -0.20 0.54 -0.69 0.00 0.00 174.62 174.58 1cxl s VAL 660 N 1.96 1.61 -0.20 3.82 0.11 -1.26 -1.58 120.40 124.86 1cxl s VAL 660 Ca 0.49 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1cxl s VAL 660 Cb -0.19 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 1cxl s VAL 660 CO 0.19 0.45 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.37 1cxl s THR 661 N -0.49 2.34 0.18 5.04 2.01 0.73 -4.97 115.64 120.50 1cxl s THR 661 Ca 0.08 -0.95 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 1cxl s THR 661 Cb -0.08 -2.06 -0.08 0.00 0.01 0.00 0.00 72.50 70.29 1cxl s THR 661 CO -0.01 0.43 0.64 0.26 -0.69 0.00 0.00 174.62 175.26 1cxl s TRP 662 N 1.30 3.63 0.50 4.92 0.52 -1.26 -0.37 118.94 128.18 1cxl s TRP 662 Ca 0.03 1.24 -0.23 0.00 0.02 0.00 0.00 56.10 57.16 1cxl s TRP 662 Cb -0.14 -2.50 -0.06 0.00 -1.15 0.00 0.00 33.47 29.61 1cxl s TRP 662 CO -0.10 0.38 1.34 -2.00 0.02 0.00 0.00 176.95 176.60 1cxl s GLU 663 N -1.94 3.43 0.16 4.98 2.12 -0.91 -4.98 118.70 121.55 1cxl s GLU 663 Ca 0.40 2.21 -0.02 0.00 0.36 0.00 0.00 54.97 57.93 1cxl s GLU 663 Cb -0.16 -2.42 0.03 0.00 0.26 0.00 0.00 34.13 31.85 1cxl s GLU 663 CO 0.20 -0.95 0.22 0.41 -0.54 0.00 0.00 175.26 174.59 1cxl n GLY 664 N 0.65 -0.21 7.00 -1.50 0.00 0.16 -4.97 105.19 106.32 1cxl n GLY 664 Ca 0.08 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1cxl n GLY 664 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxl n GLY 665 N 3.48 -0.55 3.94 -0.02 0.00 -1.26 -4.68 105.19 106.11 1cxl n GLY 665 Ca 0.03 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 1cxl n GLY 665 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cxl s SER 666 N -4.00 5.89 0.71 1.61 1.04 -1.26 -5.04 113.70 112.65 1cxl s SER 666 Ca 0.00 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 56.76 1cxl s SER 666 Cb 0.00 -1.73 0.03 0.00 0.10 0.00 0.00 66.02 64.42 1cxl s SER 666 CO 0.00 -0.72 1.24 0.20 0.98 0.00 0.00 173.24 174.94 1cxl s ASN 667 N -4.20 4.24 0.51 7.02 0.01 -1.26 -5.00 114.94 116.25 1cxl s ASN 667 Ca 0.49 2.46 -0.09 0.00 -0.71 0.00 0.00 52.86 55.01 1cxl s ASN 667 Cb -0.10 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 1cxl s ASN 667 CO 0.40 -2.24 0.87 -1.00 -1.51 0.00 0.00 177.10 173.62 1cxl s HIS 668 N -1.78 3.55 0.02 2.20 3.76 0.91 -4.86 115.29 119.09 1cxl s HIS 668 Ca 0.77 1.07 -0.01 0.00 -0.15 0.00 0.00 55.06 56.74 1cxl s HIS 668 Cb -0.32 -2.50 -0.02 0.00 1.11 0.00 0.00 32.58 30.85 1cxl s HIS 668 CO 0.44 -0.37 -0.00 0.99 -0.85 0.00 0.00 174.74 174.94 1cxl s THR 669 N -2.78 0.12 0.08 1.30 2.01 -1.26 -0.73 115.64 114.38 1cxl s THR 669 Ca 0.52 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 61.27 1cxl s THR 669 Cb -0.10 -0.44 0.08 0.00 0.01 0.00 0.00 72.50 72.05 1cxl s THR 669 CO 0.43 -0.54 0.86 0.72 -0.69 0.00 0.00 174.62 175.40 1cxl s PHE 670 N -1.75 -0.30 -0.22 4.92 -0.71 -0.50 -5.00 117.98 114.43 1cxl s PHE 670 Ca -0.13 0.08 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 1cxl s PHE 670 Cb -0.07 0.58 0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1cxl s PHE 670 CO -0.02 -0.71 -0.13 0.99 -1.34 0.00 0.00 175.22 174.01 1cxl s THR 671 N -3.30 2.42 0.46 -4.49 2.01 -1.26 0.23 115.64 111.70 1cxl s THR 671 Ca 0.07 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 60.77 1cxl s THR 671 Cb -0.01 -2.16 -0.07 0.00 0.01 0.00 0.00 72.50 70.26 1cxl s THR 671 CO -0.05 0.33 1.30 0.00 -0.69 0.00 0.00 174.62 175.50 1cxl s ALA 672 N 1.28 3.09 0.91 7.40 0.00 -0.20 -4.92 121.76 129.32 1cxl s ALA 672 Ca 0.01 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.08 1cxl s ALA 672 Cb -0.15 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.62 1cxl s ALA 672 CO -0.08 -0.95 1.14 -1.25 0.00 0.00 0.00 175.76 174.61 1cxl s PRO 673 N -2.52 1.03 0.32 0.00 0.04 -1.26 -1.67 135.00 130.94 1cxl s PRO 673 Ca 0.62 1.49 0.21 0.00 0.04 0.00 0.00 61.00 63.37 1cxl s PRO 673 Cb -0.37 -1.73 0.17 0.00 0.04 0.00 0.00 34.50 32.61 1cxl s PRO 673 CO 0.46 -2.61 1.38 0.66 0.04 0.00 0.00 177.00 176.93 1cxl h SER 674 N -1.85 0.00 -4.94 6.66 4.64 -1.94 -0.20 113.55 115.93 1cxl h SER 674 Ca -0.44 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.94 1cxl h SER 674 Cb 1.27 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.24 1cxl h SER 674 CO 0.43 0.13 0.34 -0.94 -0.87 0.00 0.00 176.83 175.91 1cxl s SER 675 N -6.00 -0.41 0.37 4.97 1.04 -1.26 -4.74 113.70 107.67 1cxl s SER 675 Ca 0.04 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1cxl s SER 675 Cb 0.07 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1cxl s SER 675 CO 0.72 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1cxl n GLY 676 N -0.36 -1.29 3.01 7.32 0.00 -1.26 -4.95 105.19 107.65 1cxl n GLY 676 Ca -0.11 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 1cxl n GLY 676 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cxl n THR 677 N -0.49 0.00 -3.49 2.61 -2.24 -1.26 -4.29 114.28 105.12 1cxl n THR 677 Ca 0.00 -1.72 -0.09 0.00 -2.27 0.00 0.00 64.05 59.97 1cxl n THR 677 Cb 0.00 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 1cxl n THR 677 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cxl s ALA 678 N -2.62 -1.75 -0.12 6.98 0.00 -1.23 -4.89 121.76 118.12 1cxl s ALA 678 Ca 0.25 0.83 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 1cxl s ALA 678 Cb -0.02 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.69 1cxl s ALA 678 CO 0.16 -0.72 -0.08 0.99 0.00 0.00 0.00 175.76 176.11 1cxl s THR 679 N -3.31 1.08 -0.34 0.00 2.01 -1.26 -0.72 115.64 113.10 1cxl s THR 679 Ca 0.04 -0.37 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 1cxl s THR 679 Cb -0.01 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1cxl s THR 679 CO -0.10 0.33 0.15 -0.63 -0.69 0.00 0.00 174.62 173.69 1cxl s ILE 680 N 1.68 4.31 -0.21 1.82 -1.09 0.22 -4.98 121.20 122.95 1cxl s ILE 680 Ca 0.04 -0.78 -0.03 0.00 -2.23 0.00 0.00 60.65 57.65 1cxl s ILE 680 Cb -0.13 -3.33 -0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1cxl s ILE 680 CO -0.08 -0.09 -0.08 0.21 -1.23 0.00 0.00 174.94 173.67 1cxl s ASN 681 N 1.53 4.06 0.25 3.58 3.84 -1.26 -0.43 114.94 126.50 1cxl s ASN 681 Ca 0.02 -0.44 0.01 0.00 0.21 0.00 0.00 52.86 52.66 1cxl s ASN 681 Cb -0.18 -1.68 -0.04 0.00 -0.55 0.00 0.00 41.25 38.79 1cxl s ASN 681 CO 0.05 -0.01 0.14 0.68 -2.79 0.00 0.00 177.10 175.17 1cxl s VAL 682 N 1.40 0.23 -0.03 -5.21 -7.23 0.02 -4.99 120.40 104.59 1cxl s VAL 682 Ca 0.05 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1cxl s VAL 682 Cb -0.14 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1cxl s VAL 682 CO -0.05 0.00 0.07 0.20 -0.31 0.00 0.00 175.10 175.01 1cxl s ASN 683 N -3.26 5.66 0.15 4.85 0.01 -1.26 -0.70 114.94 120.39 1cxl s ASN 683 Ca 0.38 0.18 -0.31 0.00 -0.71 0.00 0.00 52.86 52.40 1cxl s ASN 683 Cb 0.07 -1.64 -0.10 0.00 0.41 0.00 0.00 41.25 39.98 1cxl s ASN 683 CO 0.15 0.31 1.63 0.86 -1.51 0.00 0.00 177.10 178.53 1cxl s TRP 684 N -1.11 2.85 -0.27 2.20 -0.11 -0.30 -4.83 118.94 117.38 1cxl s TRP 684 Ca 0.20 0.47 -0.13 0.00 1.22 0.00 0.00 56.10 57.86 1cxl s TRP 684 Cb -0.12 -3.99 -0.04 0.00 -1.50 0.00 0.00 33.47 27.82 1cxl s TRP 684 CO 0.10 -3.76 0.28 -0.65 -4.62 0.00 0.00 176.95 168.30 1cxl s GLN 685 N 1.53 4.00 0.00 5.86 -0.21 -1.26 -4.99 119.66 124.59 1cxl s GLN 685 Ca 0.72 -0.12 0.22 0.00 0.02 0.00 0.00 55.36 56.20 1cxl s GLN 685 Cb -0.44 -3.64 1.30 0.00 1.00 0.00 0.00 33.01 31.23 1cxl s GLN 685 CO 0.32 -0.19 1.68 -0.35 -2.12 0.00 0.00 175.29 174.62