#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdl s VAL 2 N 0.00 5.08 0.14 1.12 1.01 -1.25 -4.95 120.40 121.55 2jdl s VAL 2 Ca 0.00 1.00 0.11 0.00 0.00 0.00 0.00 61.98 63.08 2jdl s VAL 2 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2jdl s VAL 2 CO 0.00 0.14 -0.26 -0.44 0.00 0.00 0.00 175.10 174.54 2jdl s SER 3 N 1.24 3.38 -0.05 3.32 0.01 -1.26 -1.44 113.70 118.91 2jdl s SER 3 Ca 0.25 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 2jdl s SER 3 Cb -0.16 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.85 2jdl s SER 3 CO 0.10 0.17 0.01 0.12 0.41 0.00 0.00 173.24 174.04 2jdl s PHE 4 N -1.21 0.39 -0.21 2.43 5.36 -0.11 -4.88 117.98 119.75 2jdl s PHE 4 Ca 0.16 -0.01 -0.08 0.00 -0.96 0.00 0.00 56.93 56.04 2jdl s PHE 4 Cb -0.10 -0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 2jdl s PHE 4 CO 0.07 -0.21 0.09 1.03 -1.46 0.00 0.00 175.22 174.74 2jdl s ARG 5 N 1.57 3.95 0.37 10.12 0.52 -1.26 -1.30 118.95 132.92 2jdl s ARG 5 Ca -0.02 -0.35 0.27 0.00 -0.52 0.00 0.00 55.73 55.12 2jdl s ARG 5 Cb -0.13 -3.33 1.03 0.00 0.52 0.00 0.00 34.95 33.04 2jdl s ARG 5 CO -0.03 0.13 1.81 -0.07 0.02 0.00 0.00 175.30 177.15 2jdl h LEU 6 N 7.21 0.00 -8.84 2.53 -0.00 -1.03 -3.37 115.31 111.80 2jdl h LEU 6 Ca -0.37 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 56.87 2jdl h LEU 6 Cb 1.17 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.69 2jdl h LEU 6 CO 0.67 0.00 -0.07 -0.94 -0.00 0.00 0.00 178.44 178.10 2jdl s SER 7 N -4.99 6.34 -0.17 -0.43 1.04 -1.26 -2.43 113.70 111.81 2jdl s SER 7 Ca 0.04 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2jdl s SER 7 Cb 0.09 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2jdl s SER 7 CO 0.50 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2jdl n GLY 8 N 4.67 0.52 3.74 7.32 0.00 -1.26 -5.03 105.19 115.15 2jdl n GLY 8 Ca -0.05 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2jdl n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdl n ALA 9 N 1.03 2.38 -2.52 4.61 0.00 -1.02 -4.99 120.51 119.99 2jdl n ALA 9 Ca -0.02 0.38 -0.24 0.00 0.00 0.00 0.00 53.44 53.56 2jdl n ALA 9 Cb 0.11 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.01 2jdl n ALA 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jdl s THR 10 N -0.00 1.48 0.24 0.00 -4.23 -1.26 -4.97 115.64 106.90 2jdl s THR 10 Ca 0.65 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2jdl s THR 10 Cb -0.51 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 70.68 2jdl s THR 10 CO 0.48 0.00 1.75 0.28 -0.54 0.00 0.00 174.62 176.59 2jdl h SER 11 N 1.96 0.33 -0.37 3.99 0.02 -1.96 -1.30 113.55 116.22 2jdl h SER 11 Ca -0.42 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2jdl h SER 11 Cb 1.24 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 2jdl h SER 11 CO 0.74 0.16 0.14 -1.28 -1.14 0.00 0.00 176.83 175.44 2jdl h SER 12 N 0.49 0.53 0.60 3.07 0.87 -1.96 -0.73 113.55 116.41 2jdl h SER 12 Ca 0.39 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 2jdl h SER 12 Cb 0.53 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2jdl h SER 12 CO -0.35 0.57 -0.53 0.77 -0.53 0.00 0.00 176.83 176.75 2jdl h SER 13 N 0.46 0.00 -0.63 6.23 4.64 -1.89 -2.13 113.55 120.24 2jdl h SER 13 Ca 0.12 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2jdl h SER 13 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 2jdl h SER 13 CO -0.01 0.53 0.24 0.22 -0.87 0.00 0.00 176.83 176.94 2jdl h TYR 14 N 0.00 0.97 -0.59 4.77 3.20 -1.16 -2.36 116.97 121.80 2jdl h TYR 14 Ca -0.01 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 2jdl h TYR 14 Cb 0.97 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 2jdl h TYR 14 CO 0.00 0.77 0.13 0.78 -1.64 0.00 0.00 178.16 178.21 2jdl h GLY 15 N 0.88 0.99 0.47 1.82 0.00 -0.81 -2.04 103.07 104.38 2jdl h GLY 15 Ca 0.21 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2jdl h GLY 15 CO -0.01 0.56 -0.03 -2.08 0.00 0.00 0.00 176.54 174.98 2jdl h VAL 16 N 0.88 1.26 -0.68 4.60 2.07 -1.36 -1.55 116.25 121.48 2jdl h VAL 16 Ca 0.19 -1.17 0.11 0.00 0.82 0.00 0.00 66.70 66.64 2jdl h VAL 16 Cb 0.33 2.01 -0.12 0.00 -1.52 0.00 0.00 31.29 32.00 2jdl h VAL 16 CO 0.00 0.29 -0.39 0.15 0.02 0.00 0.00 177.57 177.64 2jdl h PHE 17 N -0.61 -1.12 -0.30 1.57 3.57 -1.16 0.54 116.94 119.42 2jdl h PHE 17 Ca -0.01 0.08 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 2jdl h PHE 17 Cb 0.53 0.59 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 2jdl h PHE 17 CO 0.10 -0.40 -0.49 0.82 -2.23 0.00 0.00 178.31 176.11 2jdl h ILE 18 N -0.15 1.28 -0.38 1.41 1.08 -1.36 0.27 117.51 119.66 2jdl h ILE 18 Ca 0.23 -1.68 0.02 0.00 -0.39 0.00 0.00 64.86 63.04 2jdl h ILE 18 Cb 0.56 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 2jdl h ILE 18 CO -0.75 0.55 0.21 0.28 -0.69 0.00 0.00 178.15 177.75 2jdl h SER 19 N 0.66 0.33 -0.63 1.72 0.02 -1.01 -1.05 113.55 113.60 2jdl h SER 19 Ca 0.03 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2jdl h SER 19 Cb 1.08 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 2jdl h SER 19 CO 0.11 0.24 0.16 0.78 -1.14 0.00 0.00 176.83 176.98 2jdl h ASN 20 N 0.43 0.95 0.00 3.07 2.35 -0.68 -1.55 115.58 120.14 2jdl h ASN 20 Ca 0.15 -0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2jdl h ASN 20 Cb 0.02 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.09 2jdl h ASN 20 CO -0.08 0.93 -0.34 0.25 -1.65 0.00 0.00 177.43 176.54 2jdl h LEU 21 N 0.92 -1.01 -0.96 1.61 5.85 -0.34 -1.16 115.31 120.20 2jdl h LEU 21 Ca 0.20 0.13 0.16 0.00 0.84 0.00 0.00 57.88 59.21 2jdl h LEU 21 Cb 0.35 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 2jdl h LEU 21 CO 0.00 -0.40 0.57 0.03 -0.34 0.00 0.00 178.44 178.31 2jdl h ARG 22 N -0.49 0.77 0.00 1.25 3.08 -1.01 -0.30 114.38 117.68 2jdl h ARG 22 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jdl h ARG 22 Cb 0.58 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2jdl h ARG 22 CO -0.28 0.51 0.00 1.63 -1.07 0.00 0.00 179.97 180.77 2jdl n LYS 23 N -4.75 0.16 0.00 0.04 5.02 -0.60 -2.34 118.16 115.70 2jdl n LYS 23 Ca 0.20 0.12 0.14 0.00 -2.02 0.00 0.00 58.31 56.75 2jdl n LYS 23 Cb 0.47 -1.50 0.53 0.00 -0.02 0.00 0.00 35.03 34.51 2jdl n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jdl n ALA 24 N -1.38 2.68 -2.61 7.82 0.00 -0.12 -4.83 120.51 122.07 2jdl n ALA 24 Ca 0.08 -0.18 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 2jdl n ALA 24 Cb 0.20 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 2jdl n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jdl s LEU 25 N -2.95 4.05 0.57 0.00 1.43 -0.99 -5.04 118.68 115.77 2jdl s LEU 25 Ca 0.15 0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 53.44 2jdl s LEU 25 Cb 0.19 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2jdl s LEU 25 CO 0.57 -0.21 1.31 -2.65 0.23 0.00 0.00 176.35 175.59 2jdl n PRO 26 N 5.34 1.48 -4.47 1.29 -0.02 -1.26 -5.02 135.00 132.35 2jdl n PRO 26 Ca -0.07 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 2jdl n PRO 26 Cb 0.50 -2.53 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 2jdl n PRO 26 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2jdl s ASN 27 N -1.05 4.76 0.31 2.55 0.01 -1.26 -3.52 114.94 116.73 2jdl s ASN 27 Ca 0.75 -0.10 0.03 0.00 -0.71 0.00 0.00 52.86 52.83 2jdl s ASN 27 Cb -0.41 -1.63 0.50 0.00 0.41 0.00 0.00 41.25 40.12 2jdl s ASN 27 CO 0.47 0.22 1.80 -0.08 -1.51 0.00 0.00 177.10 178.00 2jdl h GLU 28 N 6.29 0.52 0.00 -0.60 4.57 0.04 -3.45 114.58 121.95 2jdl h GLU 28 Ca -0.36 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2jdl h GLU 28 Cb 1.19 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2jdl h GLU 28 CO 0.60 0.63 0.00 2.89 -1.18 0.00 0.00 179.01 181.95 2jdl n ARG 29 N -4.21 -1.37 -4.74 1.92 1.85 -1.23 -5.03 116.66 103.86 2jdl n ARG 29 Ca 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 2jdl n ARG 29 Cb 0.32 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.59 2jdl n ARG 29 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2jdl s LYS 30 N -0.65 1.87 -0.11 2.89 1.02 -1.26 -0.63 119.74 122.87 2jdl s LYS 30 Ca 0.00 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 54.93 2jdl s LYS 30 Cb 0.00 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 2jdl s LYS 30 CO 0.00 0.52 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.25 2jdl s LEU 31 N -1.43 1.91 -1.51 3.17 1.43 -0.00 -4.71 118.68 117.53 2jdl s LEU 31 Ca 0.13 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 2jdl s LEU 31 Cb -0.10 -1.22 0.09 0.00 0.03 0.00 0.00 46.19 44.98 2jdl s LEU 31 CO 0.04 0.08 0.85 -1.22 0.23 0.00 0.00 176.35 176.33 2jdl n TYR 32 N 3.90 -2.13 -1.06 0.29 4.01 -1.26 -1.29 117.16 119.62 2jdl n TYR 32 Ca -0.20 0.79 -0.02 0.00 -0.16 0.00 0.00 57.90 58.31 2jdl n TYR 32 Cb 0.52 -3.70 -0.01 0.00 -0.31 0.00 0.00 39.34 35.84 2jdl n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2jdl n ASP 33 N -2.69 -5.42 -4.67 7.72 8.00 -1.26 -4.96 116.55 113.27 2jdl n ASP 33 Ca 0.03 0.06 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 2jdl n ASP 33 Cb 0.53 -3.12 -0.09 0.00 -0.02 0.00 0.00 41.12 38.42 2jdl n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jdl s ILE 34 N -1.37 5.35 0.18 0.53 1.01 -0.42 -5.03 121.20 121.46 2jdl s ILE 34 Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 60.65 60.54 2jdl s ILE 34 Cb 0.00 -3.51 -0.14 0.00 0.01 0.00 0.00 42.46 38.82 2jdl s ILE 34 CO 0.00 0.35 1.58 -2.65 0.00 0.00 0.00 174.94 174.22 2jdl n PRO 35 N 4.20 2.23 -3.67 2.79 -0.02 -1.26 -0.82 135.00 138.45 2jdl n PRO 35 Ca -0.15 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 2jdl n PRO 35 Cb 0.52 -2.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 2jdl n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jdl s LEU 36 N 0.80 3.96 0.58 2.45 2.96 0.20 -0.56 118.68 129.08 2jdl s LEU 36 Ca 0.77 0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 54.52 2jdl s LEU 36 Cb -0.65 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2jdl s LEU 36 CO 0.39 0.01 1.09 -0.76 -1.32 0.00 0.00 176.35 175.76 2jdl s LEU 37 N 1.40 3.59 0.48 -0.68 1.43 -0.88 0.66 118.68 124.68 2jdl s LEU 37 Ca 0.07 2.00 -0.22 0.00 -1.03 0.00 0.00 54.13 54.95 2jdl s LEU 37 Cb -0.15 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.45 2jdl s LEU 37 CO 0.07 -1.27 1.18 -0.13 0.23 0.00 0.00 176.35 176.42 2jdl s ARG 38 N -3.71 3.62 0.20 1.70 1.81 -1.23 -4.27 118.95 117.07 2jdl s ARG 38 Ca 0.68 1.79 -0.03 0.00 -1.72 0.00 0.00 55.73 56.45 2jdl s ARG 38 Cb -0.20 -2.32 0.15 0.00 -0.45 0.00 0.00 34.95 32.14 2jdl s ARG 38 CO 0.33 -0.67 1.55 0.77 -0.68 0.00 0.00 175.30 176.59 2jdl h SER 39 N 1.83 0.64 -3.63 0.23 0.02 -1.86 -3.43 113.55 107.36 2jdl h SER 39 Ca -0.50 -0.31 -0.12 0.00 -0.84 0.00 0.00 61.79 60.03 2jdl h SER 39 Cb 1.26 -0.18 -0.25 0.00 0.14 0.00 0.00 62.40 63.36 2jdl h SER 39 CO 0.59 1.00 -0.26 -0.55 -1.14 0.00 0.00 176.83 176.47 2jdl s SER 40 N -6.88 -0.46 0.06 3.07 0.15 -1.26 -4.31 113.70 104.07 2jdl s SER 40 Ca -0.08 0.85 0.01 0.00 0.70 0.00 0.00 55.95 57.43 2jdl s SER 40 Cb 0.12 0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 65.20 2jdl s SER 40 CO 0.84 -0.16 -0.06 -0.76 1.20 0.00 0.00 173.24 174.29 2jdl s LEU 41 N 0.68 2.37 0.84 3.45 1.43 -1.26 -5.11 118.68 121.08 2jdl s LEU 41 Ca -0.04 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 2jdl s LEU 41 Cb -0.05 -0.04 0.10 0.00 0.03 0.00 0.00 46.19 46.23 2jdl s LEU 41 CO -0.05 -0.36 1.14 -2.16 0.23 0.00 0.00 176.35 175.15 2jdl s PRO 42 N -2.62 1.57 0.50 1.29 0.04 -1.26 -4.67 135.00 129.84 2jdl s PRO 42 Ca -0.02 1.47 0.17 0.00 0.04 0.00 0.00 61.00 62.67 2jdl s PRO 42 Cb -0.02 -1.80 1.22 0.00 0.04 0.00 0.00 34.50 33.94 2jdl s PRO 42 CO -0.03 -2.21 2.09 0.78 0.04 0.00 0.00 177.00 177.67 2jdl h GLY 43 N -1.40 0.00 2.00 0.56 0.00 -2.00 0.46 103.07 102.68 2jdl h GLY 43 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2jdl h GLY 43 CO 0.46 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.86 2jdl n SER 44 N -4.33 0.60 -0.28 0.19 3.41 -1.26 -3.08 113.62 108.87 2jdl n SER 44 Ca -0.03 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.22 2jdl n SER 44 Cb 0.16 -0.75 0.04 0.00 -0.26 0.00 0.00 64.21 63.41 2jdl n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jdl n GLN 45 N -2.11 0.52 0.17 4.33 6.02 0.09 -4.81 117.38 121.58 2jdl n GLN 45 Ca 0.04 -1.08 0.12 0.00 -0.01 0.00 0.00 57.00 56.07 2jdl n GLN 45 Cb 0.31 -1.13 0.18 0.00 1.02 0.00 0.00 30.24 30.61 2jdl n GLN 45 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2jdl h ARG 46 N 1.23 0.00 -6.15 -1.09 2.43 -1.31 -3.46 114.38 106.02 2jdl h ARG 46 Ca 0.00 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.49 2jdl h ARG 46 Cb 0.34 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.58 2jdl h ARG 46 CO 0.00 0.00 -0.88 0.71 -1.51 0.00 0.00 179.97 178.29 2jdl s TYR 47 N -3.22 2.34 0.14 2.20 2.02 -1.26 -0.59 117.35 118.99 2jdl s TYR 47 Ca 0.06 -0.61 0.10 0.00 -0.37 0.00 0.00 57.07 56.25 2jdl s TYR 47 Cb 0.08 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 2jdl s TYR 47 CO 0.68 -0.15 -0.24 0.00 -1.57 0.00 0.00 175.55 174.27 2jdl s ALA 48 N -0.30 2.24 -0.15 3.71 0.00 -0.63 -4.89 121.76 121.73 2jdl s ALA 48 Ca 0.01 -1.47 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 2jdl s ALA 48 Cb -0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2jdl s ALA 48 CO 0.02 0.43 0.11 -0.51 0.00 0.00 0.00 175.76 175.81 2jdl s LEU 49 N -2.26 4.14 -0.11 0.00 1.43 -1.26 -0.96 118.68 119.67 2jdl s LEU 49 Ca 0.14 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2jdl s LEU 49 Cb -0.09 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2jdl s LEU 49 CO 0.07 0.29 -0.22 -0.63 0.23 0.00 0.00 176.35 176.08 2jdl s ILE 50 N -0.31 1.97 -0.17 -0.59 1.09 -0.21 -3.81 121.20 119.17 2jdl s ILE 50 Ca 0.10 -0.96 -0.02 0.00 -1.10 0.00 0.00 60.65 58.67 2jdl s ILE 50 Cb -0.12 -1.72 -0.02 0.00 -1.06 0.00 0.00 42.46 39.54 2jdl s ILE 50 CO 0.01 0.54 -0.07 -1.00 -0.10 0.00 0.00 174.94 174.32 2jdl s HIS 51 N 0.53 2.92 -0.12 3.97 3.76 -0.52 0.59 115.29 126.41 2jdl s HIS 51 Ca -0.15 -0.63 0.03 0.00 -0.15 0.00 0.00 55.06 54.16 2jdl s HIS 51 Cb -0.17 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.57 2jdl s HIS 51 CO 0.05 -0.26 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.96 2jdl s LEU 52 N 0.71 2.01 -0.18 0.89 2.01 -0.43 -0.94 118.68 122.76 2jdl s LEU 52 Ca -0.04 -0.54 -0.01 0.00 0.01 0.00 0.00 54.13 53.55 2jdl s LEU 52 Cb -0.15 -1.33 -0.00 0.00 0.01 0.00 0.00 46.19 44.71 2jdl s LEU 52 CO 0.02 0.09 -0.12 -0.89 1.01 0.00 0.00 176.35 176.46 2jdl s THR 53 N 0.70 2.91 1.01 5.49 2.01 -0.42 -1.08 115.64 126.26 2jdl s THR 53 Ca -0.11 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 2jdl s THR 53 Cb -0.16 -2.26 0.22 0.00 0.01 0.00 0.00 72.50 70.30 2jdl s THR 53 CO 0.02 0.49 1.29 0.54 -0.69 0.00 0.00 174.62 176.27 2jdl s ASN 54 N 1.01 2.68 0.53 3.53 2.20 -0.23 -0.47 114.94 124.19 2jdl s ASN 54 Ca -0.01 0.32 0.21 0.00 -0.94 0.00 0.00 52.86 52.44 2jdl s ASN 54 Cb -0.15 -0.38 1.34 0.00 -2.00 0.00 0.00 41.25 40.07 2jdl s ASN 54 CO -0.02 -3.01 2.06 1.88 -2.94 0.00 0.00 177.10 175.08 2jdl h TYR 55 N -1.83 0.00 -0.07 1.54 0.05 -1.90 -0.19 116.97 114.57 2jdl h TYR 55 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 2jdl h TYR 55 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 2jdl h TYR 55 CO -1.38 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 175.73 2jdl n ALA 56 N -2.60 2.55 -2.06 3.88 0.00 -1.26 -4.92 120.51 116.10 2jdl n ALA 56 Ca 0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 2jdl n ALA 56 Cb 0.38 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 2jdl n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jdl n ASP 57 N -0.35 -4.32 -4.78 0.00 2.03 -0.08 -5.00 116.55 104.05 2jdl n ASP 57 Ca 0.11 0.07 -0.36 0.00 0.52 0.00 0.00 54.79 55.13 2jdl n ASP 57 Cb 0.13 -3.38 -0.07 0.00 -0.72 0.00 0.00 41.12 37.07 2jdl n ASP 57 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jdl s GLU 58 N -4.33 3.94 -0.08 -0.67 2.02 -1.26 -4.88 118.70 113.43 2jdl s GLU 58 Ca 0.00 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.87 2jdl s GLU 58 Cb 0.00 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 2jdl s GLU 58 CO 0.00 0.47 -0.14 0.99 0.02 0.00 0.00 175.26 176.59 2jdl s THR 59 N -0.14 3.02 -0.02 3.63 2.01 -1.26 -1.06 115.64 121.81 2jdl s THR 59 Ca 0.11 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2jdl s THR 59 Cb -0.12 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2jdl s THR 59 CO 0.01 0.57 0.02 0.27 -0.69 0.00 0.00 174.62 174.80 2jdl s ILE 60 N -0.35 4.35 -0.20 1.82 -4.36 -0.24 -4.59 121.20 117.63 2jdl s ILE 60 Ca 0.03 -0.46 -0.07 0.00 -0.26 0.00 0.00 60.65 59.90 2jdl s ILE 60 Cb -0.13 -2.92 -0.03 0.00 1.25 0.00 0.00 42.46 40.63 2jdl s ILE 60 CO 0.02 0.43 0.04 -0.44 0.24 0.00 0.00 174.94 175.24 2jdl s SER 61 N -1.42 5.31 -0.16 4.36 0.01 -0.81 -1.31 113.70 119.67 2jdl s SER 61 Ca 0.19 -0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 2jdl s SER 61 Cb -0.12 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 2jdl s SER 61 CO 0.09 0.11 -0.10 -0.69 0.41 0.00 0.00 173.24 173.05 2jdl s VAL 62 N 0.75 3.14 -0.17 3.43 1.01 0.20 -0.67 120.40 128.08 2jdl s VAL 62 Ca 0.02 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 2jdl s VAL 62 Cb -0.14 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2jdl s VAL 62 CO 0.02 0.50 0.35 0.00 0.00 0.00 0.00 175.10 175.97 2jdl s ALA 63 N 0.72 3.56 0.04 5.51 0.00 0.20 -1.05 121.76 130.74 2jdl s ALA 63 Ca -0.05 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.52 2jdl s ALA 63 Cb -0.15 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 2jdl s ALA 63 CO 0.02 -0.08 -0.20 0.96 0.00 0.00 0.00 175.76 176.45 2jdl s ILE 64 N 0.84 1.64 -0.42 0.00 -4.36 -0.13 -0.28 121.20 118.49 2jdl s ILE 64 Ca 0.18 -1.15 -0.24 0.00 -0.26 0.00 0.00 60.65 59.19 2jdl s ILE 64 Cb -0.14 -1.42 0.02 0.00 1.25 0.00 0.00 42.46 42.17 2jdl s ILE 64 CO 0.06 0.23 0.81 -0.62 0.24 0.00 0.00 174.94 175.66 2jdl s ASP 65 N -1.09 6.48 0.00 4.36 -1.08 -0.52 -1.61 116.67 123.21 2jdl s ASP 65 Ca 0.07 0.11 0.16 0.00 -0.52 0.00 0.00 52.55 52.37 2jdl s ASP 65 Cb -0.09 -2.40 0.88 0.00 -1.46 0.00 0.00 42.92 39.85 2jdl s ASP 65 CO 0.01 -0.87 1.39 1.33 0.52 0.00 0.00 175.17 177.56 2jdl n VAL 66 N 6.06 0.24 0.17 1.11 0.24 0.24 -0.73 118.33 125.66 2jdl n VAL 66 Ca 0.03 0.06 0.11 0.00 -2.04 0.00 0.00 64.34 62.51 2jdl n VAL 66 Cb 0.48 -0.81 0.09 0.00 -1.47 0.00 0.00 33.84 32.14 2jdl n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2jdl h THR 67 N 0.00 0.02 0.00 3.34 1.35 -1.82 -3.41 112.91 112.39 2jdl h THR 67 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2jdl h THR 67 Cb 0.06 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2jdl h THR 67 CO 0.00 0.01 0.00 -0.46 -0.25 0.00 0.00 175.52 174.82 2jdl n ASN 68 N -2.93 0.02 -0.41 5.36 0.23 -0.99 -4.57 115.26 111.96 2jdl n ASN 68 Ca 0.02 -0.64 -0.05 0.00 -0.53 0.00 0.00 54.58 53.38 2jdl n ASN 68 Cb 0.55 0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 2jdl n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2jdl n VAL 69 N -0.01 0.00 -2.46 3.53 0.31 0.09 -4.98 118.33 114.81 2jdl n VAL 69 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2jdl n VAL 69 Cb 0.15 -1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 2jdl n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2jdl s TYR 70 N -1.66 3.50 -0.02 3.52 2.02 -1.24 -4.59 117.35 118.89 2jdl s TYR 70 Ca 0.00 1.45 -0.30 0.00 -0.37 0.00 0.00 57.07 57.85 2jdl s TYR 70 Cb 0.00 -3.35 -0.05 0.00 -0.40 0.00 0.00 41.96 38.15 2jdl s TYR 70 CO 0.00 -0.96 1.46 0.42 -1.57 0.00 0.00 175.55 174.90 2jdl s ILE 71 N 0.44 3.68 -0.10 2.71 1.01 -1.26 -1.44 121.20 126.23 2jdl s ILE 71 Ca 0.54 1.01 -0.06 0.00 0.00 0.00 0.00 60.65 62.14 2jdl s ILE 71 Cb -0.29 -3.65 -0.27 0.00 0.01 0.00 0.00 42.46 38.26 2jdl s ILE 71 CO 0.32 -0.03 0.43 0.24 0.00 0.00 0.00 174.94 175.90 2jdl h MET 72 N 8.22 0.26 0.00 2.79 2.86 -0.99 -3.47 114.93 124.60 2jdl h MET 72 Ca -0.37 -0.45 0.05 0.00 -2.06 0.00 0.00 59.70 56.87 2jdl h MET 72 Cb 1.17 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 2jdl h MET 72 CO 0.92 1.18 0.14 0.41 1.06 0.00 0.00 176.91 180.62 2jdl n GLY 73 N 1.95 0.60 3.27 8.32 0.00 -1.19 -1.89 105.19 116.24 2jdl n GLY 73 Ca -0.30 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 2jdl n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jdl s TYR 74 N -3.01 -0.11 0.10 1.61 1.13 -0.29 -0.63 117.35 116.15 2jdl s TYR 74 Ca 0.05 -0.09 0.10 0.00 -1.41 0.00 0.00 57.07 55.72 2jdl s TYR 74 Cb -0.00 0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 2jdl s TYR 74 CO -0.00 -0.56 -0.26 0.50 -2.51 0.00 0.00 175.55 172.72 2jdl s ARG 75 N -2.97 1.58 -0.13 -3.49 3.52 0.15 -0.21 118.95 117.40 2jdl s ARG 75 Ca -0.02 -1.25 -0.04 0.00 -0.13 0.00 0.00 55.73 54.29 2jdl s ARG 75 Cb 0.01 -1.94 0.07 0.00 -1.56 0.00 0.00 34.95 31.52 2jdl s ARG 75 CO -0.06 0.48 0.22 0.00 -0.81 0.00 0.00 175.30 175.13 2jdl s ALA 76 N -0.97 -0.36 0.00 6.12 0.00 0.38 -1.92 121.76 125.01 2jdl s ALA 76 Ca 0.13 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2jdl s ALA 76 Cb -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2jdl s ALA 76 CO 0.05 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2jdl n GLY 77 N 5.34 2.93 0.31 0.00 0.00 -1.26 -1.71 105.19 110.80 2jdl n GLY 77 Ca -0.05 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2jdl n GLY 77 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jdl n ASP 78 N 3.41 0.92 -4.16 1.61 5.68 -1.26 -4.83 116.55 117.92 2jdl n ASP 78 Ca 0.00 -1.82 -0.29 0.00 -0.50 0.00 0.00 54.79 52.18 2jdl n ASP 78 Cb 0.00 -0.09 -0.17 0.00 -1.14 0.00 0.00 41.12 39.72 2jdl n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2jdl s THR 79 N -1.81 1.74 0.03 2.12 2.01 -0.69 -1.27 115.64 117.77 2jdl s THR 79 Ca 0.20 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2jdl s THR 79 Cb 0.10 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2jdl s THR 79 CO 0.15 0.49 0.10 -0.94 -0.69 0.00 0.00 174.62 173.73 2jdl s SER 80 N 0.33 5.74 -0.16 3.53 1.04 -0.38 -0.47 113.70 123.33 2jdl s SER 80 Ca -0.14 0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 2jdl s SER 80 Cb -0.16 -1.64 0.05 0.00 0.10 0.00 0.00 66.02 64.37 2jdl s SER 80 CO 0.06 0.23 -0.01 -0.31 0.98 0.00 0.00 173.24 174.19 2jdl s TYR 81 N -1.30 1.28 -0.03 5.02 1.51 0.70 -0.08 117.35 124.44 2jdl s TYR 81 Ca 0.27 -0.84 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2jdl s TYR 81 Cb -0.12 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 2jdl s TYR 81 CO 0.19 -0.56 -0.06 -0.06 -1.11 0.00 0.00 175.55 173.95 2jdl s PHE 82 N 1.77 2.95 0.52 2.71 0.08 -0.66 -1.14 117.98 124.21 2jdl s PHE 82 Ca 0.01 0.02 -0.22 0.00 0.12 0.00 0.00 56.93 56.86 2jdl s PHE 82 Cb -0.15 -1.67 -0.07 0.00 -0.57 0.00 0.00 43.02 40.55 2jdl s PHE 82 CO -0.07 0.37 1.14 1.19 -0.10 0.00 0.00 175.22 177.75 2jdl n PHE 83 N 1.87 1.54 -2.83 0.36 3.72 -0.79 0.52 117.46 121.84 2jdl n PHE 83 Ca -0.17 0.47 -0.44 0.00 -0.05 0.00 0.00 57.45 57.27 2jdl n PHE 83 Cb 0.53 -2.26 -0.00 0.00 -0.94 0.00 0.00 39.48 36.80 2jdl n PHE 83 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2jdl s ASN 84 N -0.92 6.97 0.02 4.37 3.04 0.50 -4.60 114.94 124.32 2jdl s ASN 84 Ca 0.69 -2.75 -0.26 0.00 0.04 0.00 0.00 52.86 50.59 2jdl s ASN 84 Cb -0.46 -2.45 0.06 0.00 -1.54 0.00 0.00 41.25 36.85 2jdl s ASN 84 CO 0.52 -0.90 0.59 -1.83 -3.04 0.00 0.00 177.10 172.44 2jdl s GLU 85 N 2.46 1.07 0.28 0.43 -1.05 -1.26 -3.47 118.70 117.16 2jdl s GLU 85 Ca 0.45 -0.07 0.02 0.00 -0.15 0.00 0.00 54.97 55.22 2jdl s GLU 85 Cb -0.01 0.50 0.60 0.00 -0.44 0.00 0.00 34.13 34.78 2jdl s GLU 85 CO 0.01 -0.38 1.78 0.00 0.95 0.00 0.00 175.26 177.63 2jdl h ALA 86 N 2.79 1.46 -0.61 -0.84 0.00 -1.99 -1.80 119.26 118.26 2jdl h ALA 86 Ca -0.30 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2jdl h ALA 86 Cb 1.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2jdl h ALA 86 CO 0.40 -0.00 0.28 0.66 0.00 0.00 0.00 179.25 180.59 2jdl h SER 87 N 0.75 0.78 0.67 0.00 4.64 -1.98 -1.64 113.55 116.78 2jdl h SER 87 Ca 0.51 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.48 2jdl h SER 87 Cb 0.69 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2jdl h SER 87 CO -0.35 0.67 -1.19 0.00 -0.87 0.00 0.00 176.83 175.09 2jdl h ALA 88 N 1.45 0.14 -0.39 5.18 0.00 -1.73 -1.57 119.26 122.35 2jdl h ALA 88 Ca 0.21 -0.88 0.01 0.00 0.00 0.00 0.00 54.91 54.26 2jdl h ALA 88 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jdl h ALA 88 CO -0.03 1.00 0.23 1.15 0.00 0.00 0.00 179.25 181.61 2jdl h THR 89 N 0.07 1.05 -0.02 0.00 2.02 -1.21 -0.04 112.91 114.77 2jdl h THR 89 Ca -0.11 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 66.93 2jdl h THR 89 Cb 1.92 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 2jdl h THR 89 CO 0.19 0.09 -0.14 -0.08 0.37 0.00 0.00 175.52 175.94 2jdl h GLU 90 N 0.48 -0.22 -1.00 6.66 4.57 -1.19 -2.83 114.58 121.04 2jdl h GLU 90 Ca 0.15 0.02 0.24 0.00 -1.18 0.00 0.00 59.36 58.59 2jdl h GLU 90 Cb -0.01 0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 28.51 2jdl h GLU 90 CO -0.06 -0.15 0.60 0.00 -1.18 0.00 0.00 179.01 178.22 2jdl h ALA 91 N 0.74 1.79 0.00 2.92 0.00 -1.04 -0.81 119.26 122.85 2jdl h ALA 91 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jdl h ALA 91 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jdl h ALA 91 CO -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.84 2jdl n ALA 92 N -2.31 1.34 0.50 0.00 0.00 -0.05 -1.37 120.51 118.61 2jdl n ALA 92 Ca 0.27 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.96 2jdl n ALA 92 Cb 0.74 -1.32 0.42 0.00 0.00 0.00 0.00 19.45 19.29 2jdl n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jdl h LYS 93 N 0.00 0.00 0.00 0.00 1.57 -1.20 -3.37 116.57 113.57 2jdl h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jdl h LYS 93 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jdl h LYS 93 CO 0.00 0.00 -0.94 0.66 -0.57 0.00 0.00 179.45 178.60 2jdl n TYR 94 N -2.40 0.00 -4.65 -1.35 4.01 -0.47 -5.02 117.16 107.28 2jdl n TYR 94 Ca 0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.48 2jdl n TYR 94 Cb 0.38 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.28 2jdl n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2jdl s VAL 95 N -1.94 2.70 -1.31 -0.72 -7.23 -0.95 -4.71 120.40 106.23 2jdl s VAL 95 Ca 0.00 -1.26 -0.06 0.00 -1.81 0.00 0.00 61.98 58.85 2jdl s VAL 95 Cb 0.00 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.81 2jdl s VAL 95 CO 0.00 0.31 0.80 0.49 -0.31 0.00 0.00 175.10 176.39 2jdl n PHE 96 N 1.49 -2.16 0.16 2.82 3.72 -1.26 -4.69 117.46 117.53 2jdl n PHE 96 Ca -0.16 0.68 0.01 0.00 -0.05 0.00 0.00 57.45 57.93 2jdl n PHE 96 Cb 0.52 -4.37 0.25 0.00 -0.94 0.00 0.00 39.48 34.94 2jdl n PHE 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2jdl h LYS 97 N -1.82 0.00 -0.46 -1.08 1.79 -1.87 -2.97 116.57 110.16 2jdl h LYS 97 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2jdl h LYS 97 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2jdl h LYS 97 CO 0.51 0.51 0.00 -0.40 -1.08 0.00 0.00 179.45 178.99 2jdl n ASP 98 N -3.82 2.44 -4.69 0.86 5.68 -1.26 -4.86 116.55 110.89 2jdl n ASP 98 Ca -0.01 -2.02 -0.42 0.00 -0.50 0.00 0.00 54.79 51.83 2jdl n ASP 98 Cb 0.54 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.18 2jdl n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jdl s ALA 99 N -1.43 3.60 0.19 2.12 0.00 -1.13 -4.95 121.76 120.16 2jdl s ALA 99 Ca 0.30 0.97 -0.07 0.00 0.00 0.00 0.00 51.96 53.16 2jdl s ALA 99 Cb 0.16 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.77 2jdl s ALA 99 CO 0.20 -0.93 1.61 1.98 0.00 0.00 0.00 175.76 178.62 2jdl h MET 100 N 7.84 0.92 -5.92 0.00 4.05 -1.52 -3.43 114.93 116.87 2jdl h MET 100 Ca -0.39 -0.36 -0.67 0.00 -0.28 0.00 0.00 59.70 58.00 2jdl h MET 100 Cb 1.19 -0.05 -0.17 0.00 -0.80 0.00 0.00 31.60 31.77 2jdl h MET 100 CO 0.90 1.01 -0.65 1.03 0.23 0.00 0.00 176.91 179.44 2jdl s ARG 101 N -4.73 3.03 -0.29 0.39 0.52 -0.55 -5.04 118.95 112.28 2jdl s ARG 101 Ca -0.10 -0.46 -0.00 0.00 -0.52 0.00 0.00 55.73 54.64 2jdl s ARG 101 Cb 0.13 -2.76 0.09 0.00 0.52 0.00 0.00 34.95 32.93 2jdl s ARG 101 CO 0.85 0.62 0.07 0.15 0.02 0.00 0.00 175.30 177.01 2jdl s LYS 102 N -0.67 0.90 -0.14 3.54 1.02 -1.26 -1.25 119.74 121.89 2jdl s LYS 102 Ca 0.10 -1.10 -0.07 0.00 0.02 0.00 0.00 55.97 54.93 2jdl s LYS 102 Cb -0.12 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2jdl s LYS 102 CO 0.02 -0.90 0.11 0.08 -0.92 0.00 0.00 175.35 173.74 2jdl s VAL 103 N 1.53 5.27 -0.34 3.17 1.01 0.88 -4.98 120.40 126.94 2jdl s VAL 103 Ca 0.07 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2jdl s VAL 103 Cb -0.18 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2jdl s VAL 103 CO -0.19 0.57 0.22 -0.89 0.00 0.00 0.00 175.10 174.81 2jdl s THR 104 N -0.64 5.03 0.63 3.92 2.01 -1.26 -1.65 115.64 123.67 2jdl s THR 104 Ca 0.12 -0.36 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 2jdl s THR 104 Cb -0.12 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2jdl s THR 104 CO 0.02 -0.03 1.26 -0.76 -0.69 0.00 0.00 174.62 174.43 2jdl s LEU 105 N 1.67 3.60 -0.03 4.42 1.43 0.18 -4.87 118.68 125.08 2jdl s LEU 105 Ca 0.05 2.53 0.03 0.00 -1.03 0.00 0.00 54.13 55.71 2jdl s LEU 105 Cb -0.18 -4.61 0.14 0.00 0.03 0.00 0.00 46.19 41.57 2jdl s LEU 105 CO 0.09 -1.87 0.80 -0.81 0.23 0.00 0.00 176.35 174.79 2jdl n PRO 106 N -1.82 1.59 -3.84 1.29 -0.04 -1.26 -3.58 135.00 127.34 2jdl n PRO 106 Ca 0.15 -0.52 -0.12 0.00 -0.04 0.00 0.00 63.50 62.97 2jdl n PRO 106 Cb 0.49 -1.51 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 2jdl n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2jdl s TYR 107 N -1.42 -0.02 0.90 0.54 -0.85 -1.26 -4.94 117.35 110.30 2jdl s TYR 107 Ca 0.09 -0.06 -0.10 0.00 -0.52 0.00 0.00 57.07 56.48 2jdl s TYR 107 Cb 0.07 -0.01 0.14 0.00 0.38 0.00 0.00 41.96 42.54 2jdl s TYR 107 CO 0.03 -0.35 1.15 -1.54 -1.52 0.00 0.00 175.55 173.33 2jdl s SER 108 N -1.52 2.98 -0.10 -0.18 1.04 -1.23 -0.37 113.70 114.33 2jdl s SER 108 Ca -0.12 2.20 0.01 0.00 0.48 0.00 0.00 55.95 58.52 2jdl s SER 108 Cb -0.06 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 63.65 2jdl s SER 108 CO 0.01 -3.07 1.15 0.61 0.98 0.00 0.00 173.24 172.93 2jdl n GLY 109 N 0.20 2.47 3.78 7.32 0.00 -1.26 -4.58 105.19 113.11 2jdl n GLY 109 Ca 0.12 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 2jdl n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jdl s ASN 110 N 0.39 5.36 0.19 1.61 2.20 -1.26 -4.99 114.94 118.44 2jdl s ASN 110 Ca 0.13 -0.22 -0.10 0.00 -0.94 0.00 0.00 52.86 51.73 2jdl s ASN 110 Cb 0.11 -1.34 0.09 0.00 -2.00 0.00 0.00 41.25 38.11 2jdl s ASN 110 CO 0.03 0.05 1.71 1.88 -2.94 0.00 0.00 177.10 177.82 2jdl h TYR 111 N 2.25 1.08 -0.57 1.54 0.05 -1.98 0.52 116.97 119.87 2jdl h TYR 111 Ca -0.48 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.17 2jdl h TYR 111 Cb 1.21 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.62 2jdl h TYR 111 CO 0.59 0.88 0.28 1.49 -1.05 0.00 0.00 178.16 180.35 2jdl h GLU 112 N 0.97 0.81 -0.25 4.88 4.22 -1.97 0.14 114.58 123.38 2jdl h GLU 112 Ca 0.21 -0.12 -0.17 0.00 0.08 0.00 0.00 59.36 59.36 2jdl h GLU 112 Cb 0.33 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2jdl h GLU 112 CO -0.00 0.66 -0.52 0.00 -2.18 0.00 0.00 179.01 176.96 2jdl h ARG 113 N 0.77 0.71 -0.37 1.92 2.47 -1.87 -1.86 114.38 116.15 2jdl h ARG 113 Ca 0.19 -0.43 -0.14 0.00 -1.26 0.00 0.00 59.98 58.34 2jdl h ARG 113 Cb 0.11 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2jdl h ARG 113 CO -0.03 1.06 -0.34 -0.07 0.56 0.00 0.00 179.97 181.15 2jdl h LEU 114 N 0.55 0.88 -0.27 3.04 3.38 -0.43 -1.30 115.31 121.16 2jdl h LEU 114 Ca 0.02 -0.38 -0.21 0.00 0.09 0.00 0.00 57.88 57.40 2jdl h LEU 114 Cb 1.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2jdl h LEU 114 CO 0.11 1.14 -0.81 1.56 0.09 0.00 0.00 178.44 180.52 2jdl h GLN 115 N 0.70 0.51 0.10 1.13 4.20 -0.69 0.17 115.11 121.23 2jdl h GLN 115 Ca 0.07 -0.46 0.01 0.00 0.06 0.00 0.00 58.65 58.33 2jdl h GLN 115 Cb 0.90 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2jdl h GLN 115 CO 0.08 1.09 -0.12 1.15 -0.67 0.00 0.00 178.83 180.37 2jdl h THR 116 N 0.33 0.73 0.00 -0.54 2.02 -1.37 -2.10 112.91 111.99 2jdl h THR 116 Ca -0.05 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 2jdl h THR 116 Cb 1.42 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2jdl h THR 116 CO 0.15 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.71 2jdl h ALA 117 N 0.64 1.31 0.00 6.16 0.00 -1.05 -2.49 119.26 123.83 2jdl h ALA 117 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jdl h ALA 117 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jdl h ALA 117 CO -0.05 0.41 -0.26 0.00 0.00 0.00 0.00 179.25 179.35 2jdl n ALA 118 N -2.41 2.78 -1.50 0.00 0.00 0.57 -4.92 120.51 115.03 2jdl n ALA 118 Ca -0.02 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.07 2jdl n ALA 118 Cb 0.39 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 2jdl n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jdl n GLY 119 N 1.44 1.64 2.99 0.00 0.00 -0.84 -4.95 105.19 105.47 2jdl n GLY 119 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2jdl n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jdl s LYS 120 N -3.45 0.15 0.44 1.61 1.02 -0.90 -5.02 119.74 113.59 2jdl s LYS 120 Ca 0.00 0.43 -0.05 0.00 0.02 0.00 0.00 55.97 56.36 2jdl s LYS 120 Cb 0.00 -0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 2jdl s LYS 120 CO 0.00 -0.15 0.74 0.96 -0.92 0.00 0.00 175.35 175.98 2jdl s ILE 121 N 1.13 4.92 0.27 2.17 -4.36 -1.26 -4.45 121.20 119.62 2jdl s ILE 121 Ca -0.09 0.18 -0.03 0.00 -0.26 0.00 0.00 60.65 60.45 2jdl s ILE 121 Cb -0.10 -3.84 0.20 0.00 1.25 0.00 0.00 42.46 39.97 2jdl s ILE 121 CO -0.07 -0.73 1.87 0.03 0.24 0.00 0.00 174.94 176.28 2jdl h ARG 122 N 0.54 1.02 0.00 0.37 3.08 -1.96 0.17 114.38 117.59 2jdl h ARG 122 Ca -0.47 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.44 2jdl h ARG 122 Cb 1.20 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2jdl h ARG 122 CO 0.62 0.79 0.24 0.93 -1.07 0.00 0.00 179.97 181.48 2jdl h GLU 123 N 1.01 0.00 -0.46 0.04 3.07 -1.94 -1.75 114.58 114.56 2jdl h GLU 123 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2jdl h GLU 123 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2jdl h GLU 123 CO -0.03 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.67 2jdl n ASN 124 N -2.62 3.86 -4.13 1.42 5.03 0.05 -4.44 115.26 114.44 2jdl n ASN 124 Ca -0.02 -2.39 -0.32 0.00 0.87 0.00 0.00 54.58 52.72 2jdl n ASN 124 Cb 0.28 -0.44 -0.16 0.00 -1.02 0.00 0.00 39.78 38.43 2jdl n ASN 124 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2jdl s ILE 125 N -1.72 1.91 0.55 2.41 1.01 -0.66 -4.96 121.20 119.75 2jdl s ILE 125 Ca 0.39 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 2jdl s ILE 125 Cb 0.25 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 2jdl s ILE 125 CO 0.18 0.52 1.07 -2.84 0.00 0.00 0.00 174.94 173.88 2jdl s PRO 126 N 0.99 3.43 0.34 2.79 0.02 -1.26 -4.39 135.00 136.92 2jdl s PRO 126 Ca -0.04 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.40 2jdl s PRO 126 Cb -0.15 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 2jdl s PRO 126 CO -0.05 -0.74 0.05 -0.51 -0.33 0.00 0.00 177.00 175.42 2jdl s LEU 127 N -4.02 2.30 0.00 -5.54 1.43 0.59 -4.84 118.68 108.60 2jdl s LEU 127 Ca 0.67 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2jdl s LEU 127 Cb -0.19 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.56 2jdl s LEU 127 CO 0.29 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2jdl n GLY 128 N -0.73 3.19 0.30 -3.19 0.00 -1.26 -0.42 105.19 103.08 2jdl n GLY 128 Ca -0.03 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 2jdl n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jdl h LEU 129 N 0.00 0.94 -1.20 0.99 3.38 -1.00 -1.05 115.31 117.37 2jdl h LEU 129 Ca 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2jdl h LEU 129 Cb 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2jdl h LEU 129 CO 0.00 0.78 0.39 -0.65 0.09 0.00 0.00 178.44 179.05 2jdl h PRO 130 N 1.02 0.94 -0.37 1.13 0.11 -1.77 0.54 132.00 133.59 2jdl h PRO 130 Ca 0.26 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2jdl h PRO 130 Cb 0.07 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 2jdl h PRO 130 CO -0.04 0.68 0.17 0.00 -0.21 0.00 0.00 178.00 178.60 2jdl h ALA 131 N 1.48 1.61 -0.17 -0.75 0.00 -1.69 -0.35 119.26 119.39 2jdl h ALA 131 Ca 0.24 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 2jdl h ALA 131 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jdl h ALA 131 CO -0.04 0.32 -0.61 1.25 0.00 0.00 0.00 179.25 180.17 2jdl h LEU 132 N 0.52 0.82 -0.75 0.00 5.85 -0.79 -1.36 115.31 119.60 2jdl h LEU 132 Ca 0.13 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.26 2jdl h LEU 132 Cb 0.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2jdl h LEU 132 CO -0.02 1.29 0.49 -0.78 -0.34 0.00 0.00 178.44 179.08 2jdl h ASP 133 N 0.40 0.84 -0.07 1.25 3.58 -0.27 -2.17 116.42 119.97 2jdl h ASP 133 Ca -0.03 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 2jdl h ASP 133 Cb 1.24 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2jdl h ASP 133 CO 0.13 0.60 -0.21 0.28 -2.88 0.00 0.00 179.24 177.15 2jdl h SER 134 N 0.99 0.47 -0.32 2.28 0.02 -0.66 -2.98 113.55 113.34 2jdl h SER 134 Ca 0.28 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2jdl h SER 134 Cb -0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2jdl h SER 134 CO -0.08 0.69 0.03 0.00 -1.14 0.00 0.00 176.83 176.33 2jdl h ALA 135 N 1.35 0.43 -0.51 3.77 0.00 -0.91 0.27 119.26 123.65 2jdl h ALA 135 Ca 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jdl h ALA 135 Cb 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jdl h ALA 135 CO 0.04 0.15 0.33 0.82 0.00 0.00 0.00 179.25 180.59 2jdl h ILE 136 N 0.36 1.11 0.09 0.00 2.04 -1.30 -0.42 117.51 119.38 2jdl h ILE 136 Ca 0.09 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2jdl h ILE 136 Cb 0.40 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2jdl h ILE 136 CO 0.01 0.12 -0.04 0.74 0.00 0.00 0.00 178.15 178.98 2jdl h THR 137 N 0.67 0.93 -0.97 -0.27 2.02 -1.43 0.19 112.91 114.05 2jdl h THR 137 Ca 0.19 -0.07 0.15 0.00 0.77 0.00 0.00 66.41 67.46 2jdl h THR 137 Cb -0.05 0.98 -0.09 0.00 -1.74 0.00 0.00 68.15 67.25 2jdl h THR 137 CO -0.05 0.02 0.61 0.74 0.37 0.00 0.00 175.52 177.20 2jdl h THR 138 N -0.15 0.82 0.00 3.16 2.02 -0.75 -2.38 112.91 115.64 2jdl h THR 138 Ca -0.01 -0.28 -0.15 0.00 0.77 0.00 0.00 66.41 66.74 2jdl h THR 138 Cb 0.12 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 2jdl h THR 138 CO 0.02 0.15 -0.88 -0.07 0.37 0.00 0.00 175.52 175.11 2jdl h LEU 139 N 0.81 0.00 -0.69 2.58 3.38 -0.90 -1.82 115.31 118.66 2jdl h LEU 139 Ca 0.51 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.34 2jdl h LEU 139 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2jdl h LEU 139 CO -0.28 0.66 -0.64 0.15 0.09 0.00 0.00 178.44 178.42 2jdl h PHE 140 N 0.00 0.06 -0.01 1.13 3.57 -0.13 -2.94 116.94 118.62 2jdl h PHE 140 Ca -0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2jdl h PHE 140 Cb 1.55 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.28 2jdl h PHE 140 CO 0.00 0.67 -0.58 0.66 -2.23 0.00 0.00 178.31 176.84 2jdl n TYR 141 N -3.79 0.00 -3.74 0.41 4.01 -0.98 -4.90 117.16 108.16 2jdl n TYR 141 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.45 2jdl n TYR 141 Cb 0.64 -0.08 0.01 0.00 -0.31 0.00 0.00 39.34 39.59 2jdl n TYR 141 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2jdl n TYR 142 N -0.90 -1.53 -1.52 -0.72 9.36 -0.92 -4.90 117.16 116.03 2jdl n TYR 142 Ca 0.08 0.49 -0.48 0.00 3.32 0.00 0.00 57.90 61.31 2jdl n TYR 142 Cb 0.37 -2.32 -0.06 0.00 -0.63 0.00 0.00 39.34 36.71 2jdl n TYR 142 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2jdl n ASN 143 N -2.00 2.62 0.23 2.98 5.03 -0.73 -4.85 115.26 118.54 2jdl n ASN 143 Ca -0.22 0.41 0.10 0.00 0.87 0.00 0.00 54.58 55.73 2jdl n ASN 143 Cb 0.55 -1.37 0.56 0.00 -1.02 0.00 0.00 39.78 38.50 2jdl n ASN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jdl h ALA 144 N 12.89 1.19 0.00 5.41 0.00 -1.90 -2.46 119.26 134.38 2jdl h ALA 144 Ca -0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2jdl h ALA 144 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jdl h ALA 144 CO 0.99 0.27 -0.62 -0.91 0.00 0.00 0.00 179.25 178.98 2jdl h ASN 145 N 0.00 0.00 -0.02 0.00 4.21 -1.98 -3.24 115.58 114.56 2jdl h ASN 145 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2jdl h ASN 145 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2jdl h ASN 145 CO 0.03 0.08 -0.03 -0.24 -1.29 0.00 0.00 177.43 175.98 2jdl n SER 146 N -2.89 2.18 0.09 5.81 2.88 -1.20 -4.76 113.62 115.73 2jdl n SER 146 Ca 0.01 -1.59 -0.17 0.00 -1.33 0.00 0.00 58.87 55.79 2jdl n SER 146 Cb 0.58 0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 2jdl n SER 146 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jdl h ALA 147 N 2.90 0.14 -0.72 -1.46 0.00 -1.46 -2.89 119.26 115.77 2jdl h ALA 147 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.07 2jdl h ALA 147 Cb 0.61 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2jdl h ALA 147 CO 0.00 0.83 0.27 0.00 0.00 0.00 0.00 179.25 180.34 2jdl h ALA 148 N 0.53 0.94 0.04 0.00 0.00 -1.86 0.67 119.26 119.59 2jdl h ALA 148 Ca -0.14 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 2jdl h ALA 148 Cb 1.84 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2jdl h ALA 148 CO 0.21 0.58 -1.07 0.66 0.00 0.00 0.00 179.25 179.63 2jdl h SER 149 N 1.05 0.16 -0.20 0.00 4.64 -1.84 -2.53 113.55 114.83 2jdl h SER 149 Ca 0.24 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 2jdl h SER 149 Cb 0.25 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2jdl h SER 149 CO -0.02 1.12 -0.09 0.00 -0.87 0.00 0.00 176.83 176.98 2jdl h ALA 150 N 0.86 1.24 -0.84 5.18 0.00 -1.33 -2.27 119.26 122.09 2jdl h ALA 150 Ca -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2jdl h ALA 150 Cb 1.82 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 2jdl h ALA 150 CO 0.16 0.50 0.39 -0.07 0.00 0.00 0.00 179.25 180.22 2jdl h LEU 151 N 0.51 1.11 -1.14 0.00 3.38 -0.61 -0.75 115.31 117.82 2jdl h LEU 151 Ca 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2jdl h LEU 151 Cb 0.46 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jdl h LEU 151 CO 0.02 0.94 0.11 0.24 0.09 0.00 0.00 178.44 179.85 2jdl h MET 152 N 1.20 0.72 0.01 1.13 2.86 -1.29 0.25 114.93 119.81 2jdl h MET 152 Ca 0.29 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2jdl h MET 152 Cb 0.14 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2jdl h MET 152 CO -0.03 0.65 -0.00 0.28 1.06 0.00 0.00 176.91 178.87 2jdl h VAL 153 N 0.70 1.23 -0.07 -2.22 2.07 -1.15 -2.24 116.25 114.57 2jdl h VAL 153 Ca 0.16 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2jdl h VAL 153 Cb 0.27 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2jdl h VAL 153 CO -0.00 0.19 -0.08 0.25 0.02 0.00 0.00 177.57 177.95 2jdl h LEU 154 N -0.33 -0.23 -0.39 2.57 5.85 -0.90 -1.77 115.31 120.11 2jdl h LEU 154 Ca -0.00 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2jdl h LEU 154 Cb 0.32 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2jdl h LEU 154 CO 0.00 -0.11 0.02 0.40 -0.34 0.00 0.00 178.44 178.42 2jdl h ILE 155 N -0.10 0.73 0.00 4.05 2.04 -0.53 -1.86 117.51 121.85 2jdl h ILE 155 Ca 0.05 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 2jdl h ILE 155 Cb 0.18 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2jdl h ILE 155 CO -0.13 0.02 -0.39 1.56 0.00 0.00 0.00 178.15 179.21 2jdl h GLN 156 N 0.13 0.00 0.00 2.37 4.20 -1.13 -0.96 115.11 119.72 2jdl h GLN 156 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2jdl h GLN 156 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2jdl h GLN 156 CO -0.30 0.39 -0.21 0.43 -0.67 0.00 0.00 178.83 178.47 2jdl n SER 157 N -3.52 0.77 0.00 1.46 7.64 -0.69 -1.60 113.62 117.69 2jdl n SER 157 Ca -0.00 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2jdl n SER 157 Cb 0.53 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2jdl n SER 157 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jdl n THR 158 N -2.21 0.00 -0.27 0.44 -2.24 -0.73 -4.67 114.28 104.60 2jdl n THR 158 Ca 0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.79 2jdl n THR 158 Cb 0.43 -0.40 0.02 0.00 -2.10 0.00 0.00 70.33 68.28 2jdl n THR 158 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jdl h SER 159 N 0.00 -1.25 0.02 3.42 0.02 -1.41 -0.32 113.55 114.03 2jdl h SER 159 Ca 0.00 0.26 -0.16 0.00 -0.84 0.00 0.00 61.79 61.05 2jdl h SER 159 Cb 0.00 0.64 0.01 0.00 0.14 0.00 0.00 62.40 63.20 2jdl h SER 159 CO 0.00 -0.30 -0.65 -0.33 -1.14 0.00 0.00 176.83 174.41 2jdl h GLU 160 N -0.10 0.40 -0.46 3.45 4.39 -1.50 -2.50 114.58 118.26 2jdl h GLU 160 Ca 0.28 -0.46 0.09 0.00 0.34 0.00 0.00 59.36 59.61 2jdl h GLU 160 Cb 0.57 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.28 2jdl h GLU 160 CO -0.80 1.13 -0.02 0.00 -1.16 0.00 0.00 179.01 178.17 2jdl h ALA 161 N 0.28 0.41 -0.93 3.43 0.00 -1.15 -2.14 119.26 119.17 2jdl h ALA 161 Ca -0.09 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2jdl h ALA 161 Cb 1.38 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 2jdl h ALA 161 CO 0.13 -0.40 0.59 0.00 0.00 0.00 0.00 179.25 179.57 2jdl h ALA 162 N 1.41 1.72 -0.01 0.00 0.00 -1.00 -3.15 119.26 118.23 2jdl h ALA 162 Ca 0.23 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 2jdl h ALA 162 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jdl h ALA 162 CO -0.39 0.04 -0.78 0.00 0.00 0.00 0.00 179.25 178.11 2jdl h ARG 163 N 0.80 0.10 -3.62 0.00 3.08 -1.06 -3.38 114.38 110.30 2jdl h ARG 163 Ca 0.46 -0.10 -0.46 0.00 0.07 0.00 0.00 59.98 59.95 2jdl h ARG 163 Cb 0.63 0.03 -0.39 0.00 0.08 0.00 0.00 29.97 30.32 2jdl h ARG 163 CO -0.23 0.83 -0.76 0.71 -1.07 0.00 0.00 179.97 179.45 2jdl s TYR 164 N -3.32 0.72 0.31 3.04 2.02 -0.84 -0.10 117.35 119.18 2jdl s TYR 164 Ca -0.02 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 2jdl s TYR 164 Cb 0.11 -0.85 0.84 0.00 -0.40 0.00 0.00 41.96 41.67 2jdl s TYR 164 CO 0.80 -0.41 1.64 0.87 -1.57 0.00 0.00 175.55 176.88 2jdl h LYS 165 N 8.31 0.20 -0.81 -0.62 1.57 -1.19 -2.05 116.57 121.97 2jdl h LYS 165 Ca -0.18 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2jdl h LYS 165 Cb 1.12 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 2jdl h LYS 165 CO 0.28 0.13 0.49 0.35 -0.57 0.00 0.00 179.45 180.12 2jdl h PHE 166 N 0.20 0.90 -0.38 -1.35 3.57 -1.87 -1.37 116.94 116.64 2jdl h PHE 166 Ca 0.62 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 62.10 2jdl h PHE 166 Cb 1.32 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2jdl h PHE 166 CO -0.21 0.43 0.05 0.82 -2.23 0.00 0.00 178.31 177.17 2jdl h ILE 167 N 0.88 1.24 0.16 1.41 2.04 -1.70 -2.19 117.51 119.35 2jdl h ILE 167 Ca 0.36 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.35 2jdl h ILE 167 Cb 0.21 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2jdl h ILE 167 CO -0.19 0.30 -0.26 -0.08 0.00 0.00 0.00 178.15 177.92 2jdl h GLU 168 N 0.48 -0.47 -0.79 2.37 4.81 -1.20 -2.17 114.58 117.60 2jdl h GLU 168 Ca 0.11 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2jdl h GLU 168 Cb 0.38 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2jdl h GLU 168 CO 0.01 -0.32 0.48 -0.56 -0.73 0.00 0.00 179.01 177.89 2jdl h GLN 169 N -0.49 0.84 -0.35 1.92 -0.00 -1.22 -0.57 115.11 115.24 2jdl h GLN 169 Ca 0.02 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.57 2jdl h GLN 169 Cb 0.50 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.48 27.78 2jdl h GLN 169 CO -0.13 0.56 0.04 1.96 -0.00 0.00 0.00 178.83 181.26 2jdl h GLN 170 N 0.87 0.59 -0.05 0.06 1.08 -1.26 -0.54 115.11 115.86 2jdl h GLN 170 Ca 0.35 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.31 2jdl h GLN 170 Cb 0.18 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2jdl h GLN 170 CO -0.18 0.68 -0.26 0.82 -0.95 0.00 0.00 178.83 178.94 2jdl h ILE 171 N 0.41 1.45 0.00 2.54 2.04 -1.29 -3.22 117.51 119.43 2jdl h ILE 171 Ca 0.10 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 2jdl h ILE 171 Cb 0.39 2.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2jdl h ILE 171 CO 0.01 0.48 -0.05 1.23 0.00 0.00 0.00 178.15 179.83 2jdl h GLY 172 N -0.26 0.00 2.00 5.37 0.00 -1.12 -2.75 103.07 106.31 2jdl h GLY 172 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2jdl h GLY 172 CO 0.05 0.00 -0.25 1.70 0.00 0.00 0.00 176.54 178.05 2jdl h LYS 173 N 0.00 0.00 -4.63 4.80 3.64 -1.10 -3.31 116.57 115.97 2jdl h LYS 173 Ca -0.00 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.66 2jdl h LYS 173 Cb 0.11 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 31.73 2jdl h LYS 173 CO 0.01 0.25 0.56 1.03 -2.27 0.00 0.00 179.45 179.03 2jdl s ARG 174 N -3.59 3.57 -0.17 1.90 3.00 -1.04 -4.79 118.95 117.84 2jdl s ARG 174 Ca 0.01 -1.96 -0.13 0.00 0.00 0.00 0.00 55.73 53.65 2jdl s ARG 174 Cb 0.10 -4.72 -0.22 0.00 0.00 0.00 0.00 34.95 30.10 2jdl s ARG 174 CO 0.65 -1.61 0.27 0.28 0.00 0.00 0.00 175.30 174.89 2jdl n VAL 175 N 5.01 1.66 0.49 3.52 0.31 -1.26 -0.65 118.33 127.41 2jdl n VAL 175 Ca 0.19 -0.37 0.05 0.00 -0.01 0.00 0.00 64.34 64.20 2jdl n VAL 175 Cb 0.48 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 2jdl n VAL 175 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2jdl n ASP 176 N -3.93 0.99 -4.37 4.52 8.00 -1.26 -4.25 116.55 116.25 2jdl n ASP 176 Ca -0.33 -0.99 -0.18 0.00 0.71 0.00 0.00 54.79 53.99 2jdl n ASP 176 Cb 0.88 0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 42.54 2jdl n ASP 176 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2jdl s LYS 177 N -1.64 1.46 0.30 -1.24 -2.85 -1.26 -4.97 119.74 109.54 2jdl s LYS 177 Ca 0.07 -1.78 0.09 0.00 -1.00 0.00 0.00 55.97 53.35 2jdl s LYS 177 Cb 0.08 -0.62 -0.04 0.00 -2.06 0.00 0.00 37.83 35.19 2jdl s LYS 177 CO 0.33 -0.17 0.07 0.95 0.10 0.00 0.00 175.35 176.63 2jdl s THR 178 N -3.45 3.25 0.04 3.79 -4.23 -1.26 -4.41 115.64 109.37 2jdl s THR 178 Ca 0.33 -1.79 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 2jdl s THR 178 Cb 0.07 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 2jdl s THR 178 CO 0.12 -0.27 -0.00 0.72 -0.54 0.00 0.00 174.62 174.65 2jdl s PHE 179 N -2.37 0.39 -0.22 3.99 -0.71 0.45 -4.93 117.98 114.56 2jdl s PHE 179 Ca 0.35 -0.83 -0.19 0.00 -1.04 0.00 0.00 56.93 55.22 2jdl s PHE 179 Cb -0.04 -0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.45 2jdl s PHE 179 CO 0.21 -0.34 0.56 -0.51 -1.34 0.00 0.00 175.22 173.81 2jdl s LEU 180 N -2.43 4.11 0.38 -1.99 1.02 -1.26 -0.30 118.68 118.20 2jdl s LEU 180 Ca -0.01 0.67 -0.26 0.00 0.02 0.00 0.00 54.13 54.56 2jdl s LEU 180 Cb 0.02 -2.76 -0.09 0.00 0.02 0.00 0.00 46.19 43.38 2jdl s LEU 180 CO -0.07 -0.26 1.17 -2.16 0.02 0.00 0.00 176.35 175.05 2jdl s PRO 181 N 2.02 4.15 0.72 1.29 0.04 -1.26 -5.00 135.00 136.95 2jdl s PRO 181 Ca 0.25 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 2jdl s PRO 181 Cb -0.16 -2.75 0.05 0.00 0.04 0.00 0.00 34.50 31.68 2jdl s PRO 181 CO 0.09 -0.24 1.07 -1.54 0.04 0.00 0.00 177.00 176.42 2jdl s SER 182 N -1.08 4.93 0.58 6.66 1.04 -1.26 -4.54 113.70 120.04 2jdl s SER 182 Ca 0.55 0.71 0.28 0.00 0.48 0.00 0.00 55.95 57.98 2jdl s SER 182 Cb -0.31 -1.39 1.61 0.00 0.10 0.00 0.00 66.02 66.04 2jdl s SER 182 CO 0.39 -1.58 2.08 -0.07 0.98 0.00 0.00 173.24 175.04 2jdl h LEU 183 N -0.70 0.00 -0.10 2.42 3.38 -1.94 -2.37 115.31 115.99 2jdl h LEU 183 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2jdl h LEU 183 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2jdl h LEU 183 CO 0.63 0.00 0.05 0.00 0.09 0.00 0.00 178.44 179.20 2jdl h ALA 184 N 1.74 0.14 -0.36 1.53 0.00 -1.75 0.26 119.26 120.82 2jdl h ALA 184 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jdl h ALA 184 Cb 0.56 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jdl h ALA 184 CO -0.00 -0.29 0.21 0.82 0.00 0.00 0.00 179.25 179.99 2jdl h ILE 185 N 0.03 1.12 -0.87 0.00 2.04 -1.75 -2.13 117.51 115.95 2jdl h ILE 185 Ca 0.04 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2jdl h ILE 185 Cb 0.14 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2jdl h ILE 185 CO -0.00 0.12 0.53 0.40 0.00 0.00 0.00 178.15 179.20 2jdl h ILE 186 N 0.46 1.24 0.03 -0.67 5.03 -1.26 -1.69 117.51 120.65 2jdl h ILE 186 Ca 0.13 -0.51 -0.22 0.00 -0.12 0.00 0.00 64.86 64.14 2jdl h ILE 186 Cb 0.01 -0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 33.79 2jdl h ILE 186 CO -0.02 0.25 -0.99 0.77 -0.68 0.00 0.00 178.15 177.47 2jdl h SER 187 N 1.20 0.35 -0.25 1.72 4.64 -0.24 0.18 113.55 121.16 2jdl h SER 187 Ca 0.31 -0.31 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2jdl h SER 187 Cb -0.07 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 2jdl h SER 187 CO -0.06 1.15 0.04 -0.07 -0.87 0.00 0.00 176.83 177.01 2jdl h LEU 188 N 0.13 -0.02 -0.27 5.97 3.38 -1.18 -1.29 115.31 122.03 2jdl h LEU 188 Ca -0.07 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2jdl h LEU 188 Cb 1.65 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.39 2jdl h LEU 188 CO 0.16 0.02 -0.28 -0.33 0.09 0.00 0.00 178.44 178.10 2jdl h GLU 189 N 0.12 -0.26 0.00 1.13 5.08 -1.18 -2.12 114.58 117.35 2jdl h GLU 189 Ca 0.11 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2jdl h GLU 189 Cb 0.12 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2jdl h GLU 189 CO -0.16 -0.18 -0.01 -0.91 -1.00 0.00 0.00 179.01 176.75 2jdl h ASN 190 N -0.27 0.00 -0.02 1.42 2.35 -0.67 -3.16 115.58 115.23 2jdl h ASN 190 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2jdl h ASN 190 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2jdl h ASN 190 CO -0.43 0.01 -0.02 -1.20 -1.65 0.00 0.00 177.43 174.14 2jdl n SER 191 N -3.12 2.18 -0.22 5.81 7.64 -0.51 -4.67 113.62 120.73 2jdl n SER 191 Ca -0.01 -1.59 0.02 0.00 1.01 0.00 0.00 58.87 58.30 2jdl n SER 191 Cb 0.21 0.04 0.13 0.00 -1.01 0.00 0.00 64.21 63.58 2jdl n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2jdl h TRP 192 N 2.81 0.42 -0.29 1.43 7.01 -1.37 0.49 115.95 126.45 2jdl h TRP 192 Ca 0.00 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.95 2jdl h TRP 192 Cb 0.61 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 2jdl h TRP 192 CO 0.00 0.08 -0.14 1.03 -2.79 0.00 0.00 178.44 176.62 2jdl h SER 193 N 0.41 0.63 0.07 2.65 0.87 -1.86 -1.95 113.55 114.38 2jdl h SER 193 Ca 0.34 -0.41 -0.28 0.00 -1.23 0.00 0.00 61.79 60.21 2jdl h SER 193 Cb 0.46 -0.17 0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2jdl h SER 193 CO -0.35 0.90 -1.14 0.00 -0.53 0.00 0.00 176.83 175.71 2jdl h ALA 194 N 0.75 0.05 -0.03 6.23 0.00 -1.74 -1.17 119.26 123.36 2jdl h ALA 194 Ca 0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 2jdl h ALA 194 Cb 0.66 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jdl h ALA 194 CO 0.04 0.67 -0.00 1.25 0.00 0.00 0.00 179.25 181.21 2jdl h LEU 195 N 0.31 0.04 -0.72 0.00 6.46 -0.96 -1.19 115.31 119.26 2jdl h LEU 195 Ca -0.16 -0.32 0.13 0.00 -0.12 0.00 0.00 57.88 57.41 2jdl h LEU 195 Cb 1.81 -0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 41.59 2jdl h LEU 195 CO 0.22 0.35 -0.29 0.28 -0.62 0.00 0.00 178.44 178.38 2jdl h SER 196 N -0.26 -1.03 -0.32 1.25 0.02 -1.38 0.79 113.55 112.63 2jdl h SER 196 Ca 0.01 0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2jdl h SER 196 Cb 0.33 0.56 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2jdl h SER 196 CO 0.00 -0.28 0.12 0.50 -1.14 0.00 0.00 176.83 176.03 2jdl h LYS 197 N -0.07 0.48 -0.19 3.45 3.64 -1.06 -2.16 116.57 120.65 2jdl h LYS 197 Ca 0.30 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2jdl h LYS 197 Cb 0.56 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2jdl h LYS 197 CO -0.77 0.49 -0.05 1.96 -2.27 0.00 0.00 179.45 178.80 2jdl h GLN 198 N 0.36 0.29 -0.76 1.90 1.08 -0.88 -1.55 115.11 115.55 2jdl h GLN 198 Ca 0.11 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 2jdl h GLN 198 Cb 0.19 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 2jdl h GLN 198 CO -0.01 0.36 0.26 0.82 -0.95 0.00 0.00 178.83 179.31 2jdl h ILE 199 N 0.28 1.26 -0.14 2.54 2.04 -0.53 0.10 117.51 123.07 2jdl h ILE 199 Ca 0.06 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2jdl h ILE 199 Cb 0.28 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2jdl h ILE 199 CO 0.01 0.35 0.01 1.56 0.00 0.00 0.00 178.15 180.09 2jdl h GLN 200 N 1.12 0.23 -0.28 2.37 4.20 -1.09 -2.23 115.11 119.44 2jdl h GLN 200 Ca 0.25 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.94 2jdl h GLN 200 Cb 0.28 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2jdl h GLN 200 CO -0.01 0.44 0.00 0.82 -0.67 0.00 0.00 178.83 179.42 2jdl h ILE 201 N -0.01 0.81 0.00 2.54 2.04 -1.16 -2.28 117.51 119.45 2jdl h ILE 201 Ca 0.04 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2jdl h ILE 201 Cb 0.33 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2jdl h ILE 201 CO 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 178.15 178.07 2jdl h ALA 202 N 1.24 1.61 -0.21 1.87 0.00 -0.69 -0.47 119.26 122.60 2jdl h ALA 202 Ca 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2jdl h ALA 202 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jdl h ALA 202 CO -0.22 0.13 0.16 0.66 0.00 0.00 0.00 179.25 179.98 2jdl h SER 203 N 0.00 0.00 -0.27 0.00 4.64 -0.79 0.47 113.55 117.60 2jdl h SER 203 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jdl h SER 203 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2jdl h SER 203 CO 0.01 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 2jdl n THR 204 N -4.40 1.44 -2.60 2.95 -2.24 -0.24 -4.59 114.28 104.59 2jdl n THR 204 Ca 0.02 -1.32 -0.06 0.00 -2.27 0.00 0.00 64.05 60.42 2jdl n THR 204 Cb 0.30 0.24 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2jdl n THR 204 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jdl n ASN 205 N 0.02 2.37 -2.38 3.42 5.15 -0.70 -4.99 115.26 118.16 2jdl n ASN 205 Ca 0.14 -2.47 -0.21 0.00 -0.60 0.00 0.00 54.58 51.44 2jdl n ASN 205 Cb 0.56 -0.44 -0.01 0.00 -0.53 0.00 0.00 39.78 39.37 2jdl n ASN 205 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jdl n ASN 206 N -0.58 -5.89 0.00 1.20 4.13 -1.08 -1.70 115.26 111.33 2jdl n ASN 206 Ca 0.16 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.40 2jdl n ASN 206 Cb 0.86 -4.90 0.00 0.00 -1.54 0.00 0.00 39.78 34.20 2jdl n ASN 206 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jdl n GLY 207 N -1.03 0.93 3.75 7.41 0.00 0.16 -5.03 105.19 111.38 2jdl n GLY 207 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 2jdl n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jdl s GLN 208 N -0.01 4.20 0.60 1.61 -1.52 -0.69 -1.97 119.66 121.89 2jdl s GLN 208 Ca 0.00 0.35 -0.19 0.00 -1.95 0.00 0.00 55.36 53.57 2jdl s GLN 208 Cb 0.00 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.38 2jdl s GLN 208 CO 0.00 0.32 1.24 -0.06 -0.25 0.00 0.00 175.29 176.54 2jdl s PHE 209 N 0.13 2.33 -0.04 0.91 0.40 0.07 -3.66 117.98 118.10 2jdl s PHE 209 Ca 0.23 1.50 -0.07 0.00 -0.60 0.00 0.00 56.93 57.99 2jdl s PHE 209 Cb -0.15 -3.56 -0.29 0.00 0.51 0.00 0.00 43.02 39.53 2jdl s PHE 209 CO 0.09 -2.42 0.68 1.49 0.70 0.00 0.00 175.22 175.77 2jdl h GLU 210 N 0.91 0.32 -5.91 0.44 4.81 -1.88 -3.46 114.58 109.80 2jdl h GLU 210 Ca -0.51 -0.54 -0.55 0.00 -0.13 0.00 0.00 59.36 57.64 2jdl h GLU 210 Cb 1.31 0.20 -0.25 0.00 0.63 0.00 0.00 28.75 30.63 2jdl h GLU 210 CO 0.55 1.20 -0.83 -1.12 -0.73 0.00 0.00 179.01 178.09 2jdl s SER 211 N -7.11 2.28 0.75 1.04 0.01 -1.26 -5.13 113.70 104.28 2jdl s SER 211 Ca -0.14 -0.51 -0.12 0.00 1.31 0.00 0.00 55.95 56.48 2jdl s SER 211 Cb 0.06 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.16 2jdl s SER 211 CO 0.84 0.13 1.12 -2.16 0.41 0.00 0.00 173.24 173.57 2jdl s PRO 212 N -1.20 2.27 -0.14 12.44 0.05 -1.26 -4.91 135.00 142.25 2jdl s PRO 212 Ca 0.06 1.36 0.02 0.00 0.05 0.00 0.00 61.00 62.49 2jdl s PRO 212 Cb -0.09 -1.89 0.01 0.00 0.05 0.00 0.00 34.50 32.59 2jdl s PRO 212 CO 0.02 -1.66 -0.21 0.08 0.05 0.00 0.00 177.00 175.28 2jdl s VAL 213 N -2.58 2.13 -0.11 -0.36 1.01 0.45 -4.96 120.40 115.98 2jdl s VAL 213 Ca 0.65 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 2jdl s VAL 213 Cb -0.20 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2jdl s VAL 213 CO 0.50 0.55 0.45 -0.69 0.00 0.00 0.00 175.10 175.91 2jdl s VAL 214 N 0.80 5.18 0.32 2.92 1.01 -1.26 0.16 120.40 129.54 2jdl s VAL 214 Ca -0.07 0.89 0.10 0.00 0.00 0.00 0.00 61.98 62.91 2jdl s VAL 214 Cb -0.16 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2jdl s VAL 214 CO -0.01 0.36 -0.13 -0.76 0.00 0.00 0.00 175.10 174.55 2jdl s LEU 215 N 0.43 2.68 -0.13 3.92 1.43 -0.47 -4.97 118.68 121.57 2jdl s LEU 215 Ca 0.25 -1.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 2jdl s LEU 215 Cb -0.15 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2jdl s LEU 215 CO 0.10 -0.12 0.01 -0.63 0.23 0.00 0.00 176.35 175.94 2jdl s ILE 216 N -2.58 4.34 0.86 -0.59 -1.09 -1.26 -0.94 121.20 119.95 2jdl s ILE 216 Ca 0.32 -0.21 -0.09 0.00 -2.23 0.00 0.00 60.65 58.44 2jdl s ILE 216 Cb -0.00 -2.89 0.17 0.00 -1.58 0.00 0.00 42.46 38.16 2jdl s ILE 216 CO 0.16 0.53 1.18 0.54 -1.23 0.00 0.00 174.94 176.12 2jdl s ASN 217 N -0.16 3.62 0.00 3.58 2.20 0.19 -4.14 114.94 120.23 2jdl s ASN 217 Ca 0.05 -0.08 0.23 0.00 -0.94 0.00 0.00 52.86 52.12 2jdl s ASN 217 Cb -0.12 -0.09 1.37 0.00 -2.00 0.00 0.00 41.25 40.41 2jdl s ASN 217 CO 0.02 -2.38 1.75 0.00 -2.94 0.00 0.00 177.10 173.55 2jdl n ALA 218 N -3.35 2.37 -0.91 3.54 0.00 -1.26 -1.38 120.51 119.51 2jdl n ALA 218 Ca 0.16 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2jdl n ALA 218 Cb 0.60 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 18.92 2jdl n ALA 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jdl n GLN 219 N -0.99 2.81 -1.08 0.00 3.00 -1.26 -5.00 117.38 114.85 2jdl n GLN 219 Ca 0.17 -2.74 -0.03 0.00 -0.01 0.00 0.00 57.00 54.39 2jdl n GLN 219 Cb 0.08 -1.76 -0.01 0.00 0.00 0.00 0.00 30.24 28.55 2jdl n GLN 219 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2jdl n ASN 220 N -0.47 -4.25 -4.85 1.08 4.13 -0.48 -5.01 115.26 105.40 2jdl n ASN 220 Ca 0.20 0.07 -0.37 0.00 1.68 0.00 0.00 54.58 56.16 2jdl n ASN 220 Cb 0.83 -2.01 -0.06 0.00 -1.54 0.00 0.00 39.78 37.00 2jdl n ASN 220 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2jdl s GLN 221 N -1.47 3.86 0.25 3.52 -1.52 -1.26 -4.78 119.66 118.24 2jdl s GLN 221 Ca 0.00 0.33 -0.31 0.00 -1.95 0.00 0.00 55.36 53.43 2jdl s GLN 221 Cb 0.00 -3.14 -0.11 0.00 -0.22 0.00 0.00 33.01 29.54 2jdl s GLN 221 CO 0.00 0.65 1.57 1.03 -0.25 0.00 0.00 175.29 178.29 2jdl s ARG 222 N -1.35 4.18 0.00 2.91 0.52 -1.26 -0.64 118.95 123.31 2jdl s ARG 222 Ca 0.27 2.47 0.03 0.00 -0.52 0.00 0.00 55.73 57.98 2jdl s ARG 222 Cb -0.16 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 2jdl s ARG 222 CO 0.15 -0.59 -0.09 0.14 0.02 0.00 0.00 175.30 174.92 2jdl s VAL 223 N 0.36 0.73 -0.26 3.52 -7.23 -0.11 -4.92 120.40 112.49 2jdl s VAL 223 Ca 0.65 -0.51 -0.12 0.00 -1.81 0.00 0.00 61.98 60.19 2jdl s VAL 223 Cb -0.46 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2jdl s VAL 223 CO 0.41 0.12 0.25 -0.89 -0.31 0.00 0.00 175.10 174.69 2jdl s THR 224 N -0.38 5.28 -0.23 5.32 2.01 -1.26 -1.36 115.64 125.01 2jdl s THR 224 Ca 0.02 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.21 2jdl s THR 224 Cb -0.04 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2jdl s THR 224 CO -0.00 0.25 0.30 -0.63 -0.69 0.00 0.00 174.62 173.85 2jdl s ILE 225 N 1.63 5.26 0.00 1.82 -1.09 0.43 -4.92 121.20 124.33 2jdl s ILE 225 Ca 0.10 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2jdl s ILE 225 Cb -0.15 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2jdl s ILE 225 CO 0.09 0.27 0.04 0.35 -1.23 0.00 0.00 174.94 174.46 2jdl n THR 226 N 4.45 0.00 -3.83 2.92 -2.24 -1.26 -0.41 114.28 113.90 2jdl n THR 226 Ca -0.11 -0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 2jdl n THR 226 Cb 0.51 1.51 0.01 0.00 -2.10 0.00 0.00 70.33 70.26 2jdl n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jdl s ASN 227 N -0.06 -0.10 0.00 3.42 2.20 -1.26 -0.76 114.94 118.39 2jdl s ASN 227 Ca 0.00 -0.90 0.14 0.00 -0.94 0.00 0.00 52.86 51.16 2jdl s ASN 227 Cb 0.00 0.78 0.62 0.00 -2.00 0.00 0.00 41.25 40.65 2jdl s ASN 227 CO 0.00 -1.50 1.43 1.33 -2.94 0.00 0.00 177.10 175.42 2jdl n VAL 228 N -0.51 0.17 1.02 3.54 0.24 -0.83 -2.73 118.33 119.22 2jdl n VAL 228 Ca -0.06 -0.22 0.13 0.00 -2.04 0.00 0.00 64.34 62.15 2jdl n VAL 228 Cb 0.60 0.09 0.41 0.00 -1.47 0.00 0.00 33.84 33.47 2jdl n VAL 228 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jdl n ASP 229 N -0.09 0.30 -4.74 -1.34 8.00 -1.26 -4.46 116.55 112.97 2jdl n ASP 229 Ca 0.12 0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 2jdl n ASP 229 Cb 0.19 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 2jdl n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jdl s ALA 230 N -2.98 3.68 0.43 2.24 0.00 -1.11 -4.84 121.76 119.19 2jdl s ALA 230 Ca 0.13 1.40 0.24 0.00 0.00 0.00 0.00 51.96 53.72 2jdl s ALA 230 Cb 0.18 -3.59 1.24 0.00 0.00 0.00 0.00 23.12 20.95 2jdl s ALA 230 CO 0.62 -0.81 1.76 0.78 0.00 0.00 0.00 175.76 178.11 2jdl h GLY 231 N 5.29 0.98 1.75 0.00 0.00 -1.92 -2.35 103.07 106.82 2jdl h GLY 231 Ca -0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 2jdl h GLY 231 CO 0.80 -0.15 0.11 -0.24 0.00 0.00 0.00 176.54 177.07 2jdl h VAL 232 N 0.27 1.09 0.05 4.60 3.04 -1.91 0.58 116.25 123.97 2jdl h VAL 232 Ca 0.62 -0.26 -0.07 0.00 -1.01 0.00 0.00 66.70 65.98 2jdl h VAL 232 Cb 1.81 0.78 0.01 0.00 -2.01 0.00 0.00 31.29 31.88 2jdl h VAL 232 CO -0.25 0.10 -0.34 0.58 -1.01 0.00 0.00 177.57 176.65 2jdl h VAL 233 N 0.33 1.67 0.00 1.51 2.07 -1.77 0.34 116.25 120.40 2jdl h VAL 233 Ca 0.09 -2.41 -0.11 0.00 0.82 0.00 0.00 66.70 65.08 2jdl h VAL 233 Cb 0.04 3.29 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 2jdl h VAL 233 CO -0.01 0.64 -0.54 0.71 0.02 0.00 0.00 177.57 178.39 2jdl h THR 234 N -0.77 1.11 0.00 2.57 1.35 -1.37 -3.42 112.91 112.37 2jdl h THR 234 Ca -0.06 -2.06 -0.07 0.00 -0.55 0.00 0.00 66.41 63.67 2jdl h THR 234 Cb 1.24 2.21 -0.13 0.00 -1.73 0.00 0.00 68.15 69.74 2jdl h THR 234 CO 0.05 0.53 -0.52 -1.20 -0.25 0.00 0.00 175.52 174.13 2jdl n SER 235 N -3.49 0.11 0.02 5.36 7.64 0.18 -5.01 113.62 118.43 2jdl n SER 235 Ca 0.00 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.09 2jdl n SER 235 Cb 0.64 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2jdl n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jdl n ASN 236 N 0.14 -0.26 -4.69 6.43 2.85 -1.18 -4.80 115.26 113.75 2jdl n ASN 236 Ca -0.03 0.08 -0.44 0.00 -0.11 0.00 0.00 54.58 54.07 2jdl n ASN 236 Cb 0.79 0.49 -0.04 0.00 1.24 0.00 0.00 39.78 42.26 2jdl n ASN 236 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jdl n ILE 237 N -2.60 0.05 0.11 -1.44 3.06 0.12 -0.95 119.36 117.69 2jdl n ILE 237 Ca 0.00 -0.01 0.02 0.00 -2.50 0.00 0.00 62.75 60.26 2jdl n ILE 237 Cb 0.00 -1.70 -0.03 0.00 0.54 0.00 0.00 39.64 38.45 2jdl n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jdl n ALA 238 N 3.55 2.35 -2.97 1.51 0.00 0.85 -4.88 120.51 120.93 2jdl n ALA 238 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 2jdl n ALA 238 Cb 0.31 -0.14 -0.12 0.00 0.00 0.00 0.00 19.45 19.51 2jdl n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jdl s LEU 239 N -2.63 2.05 -0.18 0.00 1.43 -1.22 -4.06 118.68 114.07 2jdl s LEU 239 Ca 0.00 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2jdl s LEU 239 Cb 0.03 0.16 -0.01 0.00 0.03 0.00 0.00 46.19 46.40 2jdl s LEU 239 CO 0.16 -0.22 -0.09 -0.76 0.23 0.00 0.00 176.35 175.67 2jdl s LEU 240 N -0.98 2.75 -0.01 1.79 1.43 0.28 -4.94 118.68 118.99 2jdl s LEU 240 Ca -0.11 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 2jdl s LEU 240 Cb -0.07 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 2jdl s LEU 240 CO -0.00 0.06 1.56 -0.22 0.23 0.00 0.00 176.35 177.97 2jdl s LEU 241 N 0.99 4.32 0.36 1.79 2.96 -1.26 -2.07 118.68 125.78 2jdl s LEU 241 Ca -0.01 2.23 -0.28 0.00 -0.22 0.00 0.00 54.13 55.85 2jdl s LEU 241 Cb -0.15 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 2jdl s LEU 241 CO -0.01 -0.85 1.39 0.21 -1.32 0.00 0.00 176.35 175.77 2jdl s ASN 242 N 2.62 6.51 0.44 3.68 3.84 -1.26 -4.43 114.94 126.34 2jdl s ASN 242 Ca 0.70 2.86 0.18 0.00 0.21 0.00 0.00 52.86 56.81 2jdl s ASN 242 Cb -0.34 -2.66 1.03 0.00 -0.55 0.00 0.00 41.25 38.73 2jdl s ASN 242 CO 0.28 -0.74 1.94 0.08 -2.79 0.00 0.00 177.10 175.88 2jdl h ARG 243 N 3.11 0.00 -0.64 0.43 0.11 -1.92 -2.08 114.38 113.39 2jdl h ARG 243 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2jdl h ARG 243 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2jdl h ARG 243 CO 0.64 0.24 0.00 0.09 0.10 0.00 0.00 179.97 181.04 2jdl n ASN 244 N -3.95 3.64 0.26 0.08 5.03 -1.26 -4.19 115.26 114.87 2jdl n ASN 244 Ca -0.02 -2.39 0.18 0.00 0.87 0.00 0.00 54.58 53.21 2jdl n ASN 244 Cb 0.32 -0.52 0.88 0.00 -1.02 0.00 0.00 39.78 39.44 2jdl n ASN 244 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.26 174.30 2jdl h ASN 245 N 2.80 0.00 -3.71 6.41 -0.00 -1.56 -3.43 115.58 116.08 2jdl h ASN 245 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 2jdl h ASN 245 Cb 1.19 0.00 -0.27 0.00 -0.00 0.00 0.00 38.32 39.24 2jdl h ASN 245 CO 0.21 0.00 -0.48 -0.32 -0.00 0.00 0.00 177.43 176.84 2jdl s MET 246 N -3.81 0.23 0.00 6.67 1.75 -1.26 -4.96 119.30 117.93 2jdl s MET 246 Ca -0.02 0.34 0.09 0.00 -1.25 0.00 0.00 55.69 54.85 2jdl s MET 246 Cb 0.10 0.07 0.55 0.00 2.84 0.00 0.00 34.83 38.38 2jdl s MET 246 CO 0.38 -0.06 1.00 0.00 -0.65 0.00 0.00 175.02 175.68