#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 4.85 0.06 1.12 1.01 -1.25 -4.97 120.40 121.22 2jdl s VAL 2 Ca 0.00 1.99 0.04 0.00 0.00 0.00 0.00 61.98 64.01 2jdl s VAL 2 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2jdl s VAL 2 CO 0.00 0.09 -0.12 -0.44 0.00 0.00 0.00 175.10 174.63 2jdl s SER 3 N 1.04 1.43 -0.05 3.32 0.01 -1.26 -1.38 113.70 116.82 2jdl s SER 3 Ca 0.49 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 2jdl s SER 3 Cb -0.19 -0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.04 2jdl s SER 3 CO 0.22 -0.10 0.09 0.12 0.41 0.00 0.00 173.24 173.98 2jdl s PHE 4 N -1.24 -0.06 -0.23 2.43 5.36 -0.29 -4.91 117.98 119.05 2jdl s PHE 4 Ca -0.04 0.33 -0.08 0.00 -0.96 0.00 0.00 56.93 56.17 2jdl s PHE 4 Cb -0.10 -0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.33 2jdl s PHE 4 CO 0.02 -0.15 0.10 1.03 -1.46 0.00 0.00 175.22 174.75 2jdl s ARG 5 N 1.39 3.88 0.48 10.12 1.81 -1.26 -1.90 118.95 133.47 2jdl s ARG 5 Ca -0.06 -0.37 0.24 0.00 -1.72 0.00 0.00 55.73 53.82 2jdl s ARG 5 Cb -0.12 -3.37 1.22 0.00 -0.45 0.00 0.00 34.95 32.23 2jdl s ARG 5 CO -0.04 0.02 1.98 -0.07 -0.68 0.00 0.00 175.30 176.50 2jdl h LEU 6 N 7.59 0.00 -8.99 2.53 -0.00 -1.42 -3.39 115.31 111.63 2jdl h LEU 6 Ca -0.37 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 56.94 2jdl h LEU 6 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.80 2jdl h LEU 6 CO 0.63 0.18 1.10 -0.44 -0.00 0.00 0.00 178.44 179.91 2jdl s SER 7 N -6.30 6.41 0.00 -0.43 0.01 -1.26 -1.60 113.70 110.53 2jdl s SER 7 Ca -0.02 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2jdl s SER 7 Cb 0.13 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2jdl s SER 7 CO 0.62 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2jdl n GLY 8 N 4.66 0.44 3.73 3.44 0.00 -1.26 -5.03 105.19 111.17 2jdl n GLY 8 Ca 0.18 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2jdl n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdl s ALA 9 N -2.00 3.58 0.30 4.61 0.00 -0.63 -5.01 121.76 122.62 2jdl s ALA 9 Ca 0.00 1.18 0.09 0.00 0.00 0.00 0.00 51.96 53.24 2jdl s ALA 9 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2jdl s ALA 9 CO 0.00 -0.62 -0.00 0.95 0.00 0.00 0.00 175.76 176.09 2jdl s THR 10 N 0.35 3.05 0.31 0.00 -4.23 -1.26 -4.93 115.64 108.92 2jdl s THR 10 Ca 0.60 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.23 2jdl s THR 10 Cb -0.38 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 70.98 2jdl s THR 10 CO 0.37 -0.30 1.70 0.28 -0.54 0.00 0.00 174.62 176.13 2jdl h SER 11 N 1.86 0.46 -0.30 3.99 0.02 -1.93 -1.42 113.55 116.24 2jdl h SER 11 Ca -0.43 0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2jdl h SER 11 Cb 1.25 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 2jdl h SER 11 CO 0.62 0.00 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.99 2jdl h SER 12 N 0.44 0.56 0.88 3.07 0.87 -1.96 -2.62 113.55 114.78 2jdl h SER 12 Ca 0.62 -0.34 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 2jdl h SER 12 Cb 1.23 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 2jdl h SER 12 CO -0.53 0.77 -0.39 0.77 -0.53 0.00 0.00 176.83 176.92 2jdl h SER 13 N 0.34 0.00 -0.08 6.23 4.64 -1.87 -1.15 113.55 121.66 2jdl h SER 13 Ca 0.08 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 2jdl h SER 13 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2jdl h SER 13 CO 0.02 0.39 -0.54 0.22 -0.87 0.00 0.00 176.83 176.05 2jdl h TYR 14 N 0.00 0.82 -0.51 4.77 3.20 -1.31 -1.86 116.97 122.08 2jdl h TYR 14 Ca -0.00 -0.29 -0.11 0.00 3.14 0.00 0.00 58.73 61.47 2jdl h TYR 14 Cb 0.93 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2jdl h TYR 14 CO 0.00 1.05 -0.10 0.78 -1.64 0.00 0.00 178.16 178.25 2jdl h GLY 15 N 0.95 1.05 1.03 1.82 0.00 -1.01 -1.37 103.07 105.54 2jdl h GLY 15 Ca 0.01 -0.85 0.01 0.00 0.00 0.00 0.00 47.33 46.50 2jdl h GLY 15 CO 0.11 0.78 0.65 -2.08 0.00 0.00 0.00 176.54 175.99 2jdl h VAL 16 N 0.84 1.26 -0.17 4.60 2.07 -1.20 0.66 116.25 124.31 2jdl h VAL 16 Ca 0.13 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2jdl h VAL 16 Cb 0.66 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2jdl h VAL 16 CO 0.05 0.25 0.07 0.15 0.02 0.00 0.00 177.57 178.10 2jdl h PHE 17 N 1.34 0.12 -0.01 1.57 3.57 -0.69 -1.29 116.94 121.56 2jdl h PHE 17 Ca 0.36 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.65 2jdl h PHE 17 Cb -0.14 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2jdl h PHE 17 CO 0.00 0.06 -0.91 0.82 -2.23 0.00 0.00 178.31 176.06 2jdl h ILE 18 N 0.15 1.42 -0.39 1.41 1.08 -1.01 -1.18 117.51 119.00 2jdl h ILE 18 Ca 0.07 -2.46 -0.04 0.00 -0.39 0.00 0.00 64.86 62.03 2jdl h ILE 18 Cb 0.03 2.40 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 2jdl h ILE 18 CO -0.07 0.73 0.05 0.77 -0.69 0.00 0.00 178.15 178.95 2jdl h SER 19 N 0.20 0.54 -0.38 1.72 4.64 -0.86 -1.78 113.55 117.64 2jdl h SER 19 Ca -0.07 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 2jdl h SER 19 Cb 1.54 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2jdl h SER 19 CO 0.15 0.58 -0.35 0.78 -0.87 0.00 0.00 176.83 177.12 2jdl h ASN 20 N 0.57 0.96 0.14 4.97 -0.26 -0.88 -2.03 115.58 119.04 2jdl h ASN 20 Ca 0.13 -0.46 -0.01 0.00 -0.56 0.00 0.00 56.30 55.40 2jdl h ASN 20 Cb 0.28 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 2jdl h ASN 20 CO 0.00 1.22 -0.07 0.25 -1.06 0.00 0.00 177.43 177.77 2jdl h LEU 21 N 0.71 -0.17 -0.27 1.61 5.85 -1.10 -0.87 115.31 121.06 2jdl h LEU 21 Ca 0.06 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2jdl h LEU 21 Cb 0.94 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 2jdl h LEU 21 CO 0.09 -0.12 -0.27 0.03 -0.34 0.00 0.00 178.44 177.82 2jdl h ARG 22 N -0.19 -0.26 -0.45 1.25 3.08 -1.35 -1.89 114.38 114.57 2jdl h ARG 22 Ca -0.02 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.18 2jdl h ARG 22 Cb 0.15 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2jdl h ARG 22 CO 0.03 -0.17 0.34 0.87 -1.07 0.00 0.00 179.97 179.96 2jdl h LYS 23 N -0.27 0.00 0.00 0.04 1.57 -1.27 -2.13 116.57 114.52 2jdl h LYS 23 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2jdl h LYS 23 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2jdl h LYS 23 CO -0.43 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.45 2jdl n ALA 24 N -2.60 2.67 -2.63 3.86 0.00 -0.34 -4.82 120.51 116.66 2jdl n ALA 24 Ca 0.08 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 2jdl n ALA 24 Cb 0.54 -1.50 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.98 4.07 0.70 0.00 1.43 -0.80 -5.04 118.68 117.05 2jdl s LEU 25 Ca 0.46 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.50 2jdl s LEU 25 Cb 0.21 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2jdl s LEU 25 CO 0.36 -0.01 1.24 -2.84 0.23 0.00 0.00 176.35 175.33 2jdl s PRO 26 N 1.45 2.31 0.11 1.29 0.02 -1.26 -5.03 135.00 133.89 2jdl s PRO 26 Ca 0.08 1.88 0.08 0.00 0.02 0.00 0.00 61.00 63.06 2jdl s PRO 26 Cb -0.15 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 2jdl s PRO 26 CO 0.08 -1.73 -0.18 0.54 -0.33 0.00 0.00 177.00 175.37 2jdl s ASN 27 N -1.77 2.37 0.21 2.53 2.20 -1.26 -3.82 114.94 115.40 2jdl s ASN 27 Ca 0.78 -0.73 -0.06 0.00 -0.94 0.00 0.00 52.86 51.91 2jdl s ASN 27 Cb -0.32 -0.12 0.17 0.00 -2.00 0.00 0.00 41.25 38.98 2jdl s ASN 27 CO 0.43 -0.01 1.67 -0.33 -2.94 0.00 0.00 177.10 175.92 2jdl h GLU 28 N 3.86 0.93 0.00 3.55 4.39 -1.11 -3.45 114.58 122.75 2jdl h GLU 28 Ca -0.44 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 58.96 2jdl h GLU 28 Cb 1.19 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2jdl h GLU 28 CO 0.43 0.95 0.00 2.89 -1.16 0.00 0.00 179.01 182.13 2jdl n ARG 29 N -4.17 -2.56 -4.31 2.33 1.85 -1.24 -5.05 116.66 103.51 2jdl n ARG 29 Ca 0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.61 2jdl n ARG 29 Cb 0.36 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.68 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 -1.50 2.07 -0.10 2.89 1.02 -1.26 -0.89 119.74 121.96 2jdl s LYS 30 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 54.66 2jdl s LYS 30 Cb 0.00 -2.12 0.02 0.00 -0.52 0.00 0.00 37.83 35.21 2jdl s LYS 30 CO 0.00 0.41 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.24 2jdl s LEU 31 N -3.04 1.38 -1.60 3.17 1.43 -0.28 -4.67 118.68 115.07 2jdl s LEU 31 Ca 0.26 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2jdl s LEU 31 Cb -0.08 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.28 2jdl s LEU 31 CO 0.16 -0.06 0.19 -1.22 0.23 0.00 0.00 176.35 175.64 2jdl n TYR 32 N 4.55 -1.22 -1.02 0.29 4.01 -1.26 -0.41 117.16 122.11 2jdl n TYR 32 Ca -0.16 0.16 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2jdl n TYR 32 Cb 0.51 -3.94 -0.00 0.00 -0.31 0.00 0.00 39.34 35.59 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 -1.89 -4.28 -4.49 7.72 8.00 -1.26 -4.99 116.55 115.36 2jdl n ASP 33 Ca -0.19 0.02 -0.38 0.00 0.71 0.00 0.00 54.79 54.95 2jdl n ASP 33 Cb 0.66 -1.84 -0.12 0.00 -0.02 0.00 0.00 41.12 39.80 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 -1.62 4.74 0.19 0.53 1.01 0.46 -5.04 121.20 121.47 2jdl s ILE 34 Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 60.65 60.15 2jdl s ILE 34 Cb 0.00 -3.31 -0.13 0.00 0.01 0.00 0.00 42.46 39.02 2jdl s ILE 34 CO 0.00 0.20 1.55 -2.65 0.00 0.00 0.00 174.94 174.04 2jdl n PRO 35 N 4.99 2.21 -3.53 2.79 -0.02 -1.26 -1.12 135.00 139.06 2jdl n PRO 35 Ca -0.15 0.79 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 2jdl n PRO 35 Cb 0.51 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 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 0.67 4.05 0.71 2.45 2.96 -0.07 -1.30 118.68 128.15 2jdl s LEU 36 Ca 0.75 0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.69 2jdl s LEU 36 Cb -0.65 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 43.83 2jdl s LEU 36 CO 0.41 -0.07 1.08 -0.76 -1.32 0.00 0.00 176.35 175.68 2jdl s LEU 37 N 1.68 3.16 0.50 -0.68 1.43 -0.82 -0.65 118.68 123.30 2jdl s LEU 37 Ca 0.10 1.76 -0.22 0.00 -1.03 0.00 0.00 54.13 54.74 2jdl s LEU 37 Cb -0.15 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.49 2jdl s LEU 37 CO 0.09 -1.66 1.21 -0.13 0.23 0.00 0.00 176.35 176.10 2jdl s ARG 38 N -4.78 3.51 0.06 1.70 1.81 -1.25 -4.22 118.95 115.79 2jdl s ARG 38 Ca 0.61 1.88 -0.15 0.00 -1.72 0.00 0.00 55.73 56.35 2jdl s ARG 38 Cb -0.16 -2.30 -0.27 0.00 -0.45 0.00 0.00 34.95 31.76 2jdl s ARG 38 CO 0.52 -0.79 1.13 0.77 -0.68 0.00 0.00 175.30 176.25 2jdl h SER 39 N 1.75 0.90 -3.93 0.23 0.02 -1.87 -3.43 113.55 107.23 2jdl h SER 39 Ca -0.50 -0.79 -0.14 0.00 -0.84 0.00 0.00 61.79 59.52 2jdl h SER 39 Cb 1.27 -0.28 -0.24 0.00 0.14 0.00 0.00 62.40 63.28 2jdl h SER 39 CO 0.59 1.60 -0.30 -0.55 -1.14 0.00 0.00 176.83 177.02 2jdl s SER 40 N -7.39 -0.36 0.06 3.07 0.15 -1.26 -4.28 113.70 103.68 2jdl s SER 40 Ca -0.10 0.68 -0.00 0.00 0.70 0.00 0.00 55.95 57.23 2jdl s SER 40 Cb 0.06 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2jdl s SER 40 CO 0.93 -0.14 -0.04 -0.76 1.20 0.00 0.00 173.24 174.43 2jdl s LEU 41 N 0.10 2.47 0.62 3.45 1.43 -1.26 -5.10 118.68 120.40 2jdl s LEU 41 Ca -0.01 -0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 2jdl s LEU 41 Cb -0.03 0.14 -0.02 0.00 0.03 0.00 0.00 46.19 46.31 2jdl s LEU 41 CO 0.01 -0.55 1.23 -2.84 0.23 0.00 0.00 176.35 174.43 2jdl s PRO 42 N -3.68 2.77 0.29 1.29 0.02 -1.26 -4.69 135.00 129.75 2jdl s PRO 42 Ca 0.06 1.89 0.03 0.00 0.02 0.00 0.00 61.00 62.99 2jdl s PRO 42 Cb 0.06 -1.90 0.61 0.00 0.02 0.00 0.00 34.50 33.29 2jdl s PRO 42 CO -0.08 -1.38 1.81 0.78 -0.33 0.00 0.00 177.00 177.80 2jdl h GLY 43 N 0.67 1.68 2.00 0.52 0.00 -2.01 0.38 103.07 106.32 2jdl h GLY 43 Ca -0.50 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.43 2jdl h GLY 43 CO 0.54 0.08 0.00 -1.14 0.00 0.00 0.00 176.54 176.02 2jdl n SER 44 N -4.68 0.20 0.00 0.19 3.41 -1.26 -2.52 113.62 108.97 2jdl n SER 44 Ca 0.20 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 2jdl n SER 44 Cb 0.42 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.75 1.68 0.10 4.33 6.02 0.13 -4.84 117.38 123.05 2jdl n GLN 45 Ca 0.01 -0.28 0.12 0.00 -0.01 0.00 0.00 57.00 56.84 2jdl n GLN 45 Cb 0.07 -0.75 0.17 0.00 1.02 0.00 0.00 30.24 30.75 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 0.00 0.00 -6.54 -1.09 2.43 -1.08 -3.47 114.38 104.62 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 0.04 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.31 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 -3.21 2.23 0.12 2.20 2.02 -1.26 -0.62 117.35 118.83 2jdl s TYR 47 Ca 0.06 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 2jdl s TYR 47 Cb 0.11 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 2jdl s TYR 47 CO 0.71 0.03 -0.09 0.00 -1.57 0.00 0.00 175.55 174.62 2jdl s ALA 48 N -0.68 1.23 -0.14 3.71 0.00 -0.58 -4.92 121.76 120.39 2jdl s ALA 48 Ca 0.10 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.67 2jdl s ALA 48 Cb -0.10 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2jdl s ALA 48 CO 0.00 -0.12 -0.06 -0.51 0.00 0.00 0.00 175.76 175.07 2jdl s LEU 49 N -2.94 3.11 -0.11 0.00 1.43 -1.26 -1.22 118.68 117.69 2jdl s LEU 49 Ca 0.12 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2jdl s LEU 49 Cb 0.02 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2jdl s LEU 49 CO -0.01 0.18 -0.09 -0.63 0.23 0.00 0.00 176.35 176.03 2jdl s ILE 50 N 0.30 3.49 -0.15 -0.59 1.01 -0.21 -2.13 121.20 122.93 2jdl s ILE 50 Ca -0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2jdl s ILE 50 Cb -0.14 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 2jdl s ILE 50 CO 0.04 0.54 -0.11 -1.00 0.00 0.00 0.00 174.94 174.41 2jdl s HIS 51 N -0.08 2.85 -0.02 3.97 3.76 -0.48 0.35 115.29 125.65 2jdl s HIS 51 Ca -0.00 -0.69 0.03 0.00 -0.15 0.00 0.00 55.06 54.25 2jdl s HIS 51 Cb -0.13 -1.89 -0.00 0.00 1.11 0.00 0.00 32.58 31.66 2jdl s HIS 51 CO 0.03 -0.26 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.02 2jdl s LEU 52 N 0.54 1.91 -0.10 0.89 1.02 -0.15 -1.13 118.68 121.66 2jdl s LEU 52 Ca -0.07 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.84 2jdl s LEU 52 Cb -0.15 -0.69 0.02 0.00 0.02 0.00 0.00 46.19 45.39 2jdl s LEU 52 CO 0.04 0.12 -0.10 -0.89 0.02 0.00 0.00 176.35 175.54 2jdl s THR 53 N -0.05 1.13 0.89 5.49 2.01 -0.80 -1.38 115.64 122.94 2jdl s THR 53 Ca 0.00 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 2jdl s THR 53 Cb -0.08 -1.10 0.17 0.00 0.01 0.00 0.00 72.50 71.50 2jdl s THR 53 CO 0.00 0.38 1.23 0.54 -0.69 0.00 0.00 174.62 176.08 2jdl s ASN 54 N 1.39 3.58 0.57 3.53 2.20 -0.21 -1.14 114.94 124.87 2jdl s ASN 54 Ca -0.00 0.20 0.26 0.00 -0.94 0.00 0.00 52.86 52.38 2jdl s ASN 54 Cb -0.13 -0.39 1.56 0.00 -2.00 0.00 0.00 41.25 40.29 2jdl s ASN 54 CO -0.05 -2.42 2.10 1.88 -2.94 0.00 0.00 177.10 175.66 2jdl h TYR 55 N -1.31 0.00 -0.03 1.54 0.05 -1.90 0.20 116.97 115.52 2jdl h TYR 55 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.35 2jdl h TYR 55 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 2jdl h TYR 55 CO -0.74 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 176.37 2jdl n ALA 56 N -2.42 2.60 -2.15 3.88 0.00 -1.26 -4.92 120.51 116.25 2jdl n ALA 56 Ca 0.02 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 2jdl n ALA 56 Cb 0.33 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 2jdl n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jdl n ASP 57 N -0.26 -4.15 -4.77 0.00 9.92 0.69 -5.01 116.55 112.97 2jdl n ASP 57 Ca 0.19 0.03 -0.36 0.00 -0.53 0.00 0.00 54.79 54.12 2jdl n ASP 57 Cb 0.24 -3.28 -0.07 0.00 -0.64 0.00 0.00 41.12 37.38 2jdl n ASP 57 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2jdl s GLU 58 N -4.48 4.02 -0.15 -1.24 2.02 -1.26 -4.88 118.70 112.73 2jdl s GLU 58 Ca 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 2jdl s GLU 58 Cb 0.00 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 2jdl s GLU 58 CO 0.00 0.42 -0.06 0.99 0.02 0.00 0.00 175.26 176.63 2jdl s THR 59 N -0.06 3.61 -0.06 3.63 2.01 -1.26 -1.04 115.64 122.47 2jdl s THR 59 Ca 0.15 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2jdl s THR 59 Cb -0.13 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 2jdl s THR 59 CO 0.03 0.50 -0.03 0.27 -0.69 0.00 0.00 174.62 174.70 2jdl s ILE 60 N 0.45 3.99 -0.19 1.82 -4.36 -0.48 -4.54 121.20 117.88 2jdl s ILE 60 Ca -0.05 -0.44 -0.07 0.00 -0.26 0.00 0.00 60.65 59.83 2jdl s ILE 60 Cb -0.15 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 2jdl s ILE 60 CO 0.03 0.55 0.04 -0.44 0.24 0.00 0.00 174.94 175.37 2jdl s SER 61 N -1.00 5.32 -0.13 4.36 0.01 -0.36 -0.98 113.70 120.92 2jdl s SER 61 Ca 0.14 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.38 2jdl s SER 61 Cb -0.11 -1.91 -0.00 0.00 0.21 0.00 0.00 66.02 64.20 2jdl s SER 61 CO 0.04 0.12 -0.18 -0.69 0.41 0.00 0.00 173.24 172.93 2jdl s VAL 62 N 0.69 2.51 -0.18 3.43 1.01 0.16 -0.03 120.40 127.99 2jdl s VAL 62 Ca 0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 2jdl s VAL 62 Cb -0.14 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2jdl s VAL 62 CO 0.02 0.54 0.26 0.00 0.00 0.00 0.00 175.10 175.91 2jdl s ALA 63 N 0.54 3.61 0.08 5.51 0.00 0.95 -1.04 121.76 131.41 2jdl s ALA 63 Ca -0.11 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2jdl s ALA 63 Cb -0.16 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 2jdl s ALA 63 CO 0.04 0.07 -0.19 0.96 0.00 0.00 0.00 175.76 176.64 2jdl s ILE 64 N 0.52 1.56 -0.31 0.00 -4.36 -0.36 -0.48 121.20 117.78 2jdl s ILE 64 Ca 0.14 -1.39 -0.26 0.00 -0.26 0.00 0.00 60.65 58.88 2jdl s ILE 64 Cb -0.13 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.18 2jdl s ILE 64 CO 0.03 -0.02 0.94 -0.62 0.24 0.00 0.00 174.94 175.51 2jdl s ASP 65 N -1.66 6.81 0.00 4.36 -1.08 -0.49 -1.52 116.67 123.09 2jdl s ASP 65 Ca 0.05 0.88 0.19 0.00 -0.52 0.00 0.00 52.55 53.15 2jdl s ASP 65 Cb -0.10 -2.48 0.91 0.00 -1.46 0.00 0.00 42.92 39.79 2jdl s ASP 65 CO 0.03 -0.76 1.61 1.33 0.52 0.00 0.00 175.17 177.90 2jdl n VAL 66 N 5.71 0.53 0.33 1.11 0.24 0.21 -0.43 118.33 126.03 2jdl n VAL 66 Ca 0.08 0.13 0.12 0.00 -2.04 0.00 0.00 64.34 62.64 2jdl n VAL 66 Cb 0.47 -0.81 0.26 0.00 -1.47 0.00 0.00 33.84 32.29 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 0.00 0.00 3.34 1.35 -1.82 -3.40 112.91 112.38 2jdl h THR 67 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2jdl h THR 67 Cb 0.25 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2jdl h THR 67 CO 0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 2jdl n ASN 68 N -2.87 0.00 -1.69 5.36 0.23 -1.03 -4.52 115.26 110.73 2jdl n ASN 68 Ca 0.04 -1.00 -0.10 0.00 -0.53 0.00 0.00 54.58 52.99 2jdl n ASN 68 Cb 0.49 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.16 2jdl n ASN 68 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2jdl n VAL 69 N 0.00 -0.17 -2.19 3.53 3.14 0.43 -4.97 118.33 118.10 2jdl n VAL 69 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 2jdl n VAL 69 Cb 0.27 -1.14 -0.03 0.00 -1.06 0.00 0.00 33.84 31.88 2jdl n VAL 69 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2jdl s TYR 70 N -2.09 3.24 -0.08 1.45 2.02 -1.25 -4.64 117.35 116.00 2jdl s TYR 70 Ca 0.00 1.14 -0.30 0.00 -0.37 0.00 0.00 57.07 57.55 2jdl s TYR 70 Cb 0.00 -3.64 -0.03 0.00 -0.40 0.00 0.00 41.96 37.90 2jdl s TYR 70 CO 0.00 -2.06 1.19 0.42 -1.57 0.00 0.00 175.55 173.53 2jdl s ILE 71 N 0.34 4.32 -0.07 2.71 1.01 -1.26 -1.40 121.20 126.85 2jdl s ILE 71 Ca 0.59 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.92 2jdl s ILE 71 Cb -0.37 -4.05 -0.24 0.00 0.01 0.00 0.00 42.46 37.81 2jdl s ILE 71 CO 0.37 -0.03 0.57 0.24 0.00 0.00 0.00 174.94 176.09 2jdl h MET 72 N 7.55 0.10 0.00 2.79 2.86 -1.13 -3.47 114.93 123.63 2jdl h MET 72 Ca -0.32 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2jdl h MET 72 Cb 1.15 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2jdl h MET 72 CO 0.90 0.77 0.00 0.41 1.06 0.00 0.00 176.91 180.04 2jdl n GLY 73 N 1.71 -1.46 3.13 8.32 0.00 -1.23 -1.79 105.19 113.87 2jdl n GLY 73 Ca -0.22 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.06 0.37 -0.03 1.61 1.13 0.04 -0.03 117.35 118.38 2jdl s TYR 74 Ca 0.00 -0.86 0.04 0.00 -1.41 0.00 0.00 57.07 54.84 2jdl s TYR 74 Cb 0.00 -0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.59 2jdl s TYR 74 CO 0.00 -0.43 -0.17 0.50 -2.51 0.00 0.00 175.55 172.94 2jdl s ARG 75 N -3.77 1.64 -0.12 -3.49 3.52 0.96 -0.76 118.95 116.92 2jdl s ARG 75 Ca 0.05 -0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 55.03 2jdl s ARG 75 Cb 0.06 -1.47 0.04 0.00 -1.56 0.00 0.00 34.95 32.02 2jdl s ARG 75 CO -0.10 0.27 0.02 0.00 -0.81 0.00 0.00 175.30 174.68 2jdl s ALA 76 N -0.06 0.76 0.00 6.12 0.00 -0.56 -1.23 121.76 126.79 2jdl s ALA 76 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2jdl s ALA 76 Cb -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.10 2jdl s ALA 76 CO 0.01 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2jdl n GLY 77 N 5.13 3.21 0.24 0.00 0.00 -1.26 -1.98 105.19 110.52 2jdl n GLY 77 Ca -0.08 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 3.91 0.70 -4.29 1.61 3.85 -1.26 -4.86 116.55 116.22 2jdl n ASP 78 Ca 0.00 -1.65 -0.33 0.00 -0.71 0.00 0.00 54.79 52.11 2jdl n ASP 78 Cb 0.00 -0.06 -0.16 0.00 -1.35 0.00 0.00 41.12 39.56 2jdl n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2jdl s THR 79 N -1.89 2.57 0.11 2.12 2.01 -0.84 -0.59 115.64 119.13 2jdl s THR 79 Ca 0.25 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2jdl s THR 79 Cb 0.12 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2jdl s THR 79 CO 0.19 0.54 0.17 -0.94 -0.69 0.00 0.00 174.62 173.89 2jdl s SER 80 N 0.45 5.94 -0.07 3.53 1.04 -0.19 -1.49 113.70 122.91 2jdl s SER 80 Ca -0.13 0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.36 2jdl s SER 80 Cb -0.17 -1.70 0.04 0.00 0.10 0.00 0.00 66.02 64.29 2jdl s SER 80 CO 0.06 0.12 0.08 -0.31 0.98 0.00 0.00 173.24 174.17 2jdl s TYR 81 N -1.58 0.04 0.05 5.02 1.51 0.06 -0.46 117.35 121.99 2jdl s TYR 81 Ca 0.32 0.22 0.08 0.00 -1.01 0.00 0.00 57.07 56.68 2jdl s TYR 81 Cb -0.12 -0.48 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 2jdl s TYR 81 CO 0.25 -0.26 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.16 2jdl s PHE 82 N 2.19 1.85 0.54 2.71 0.08 -0.85 -0.78 117.98 123.72 2jdl s PHE 82 Ca 0.04 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.49 2jdl s PHE 82 Cb -0.13 -1.09 -0.05 0.00 -0.57 0.00 0.00 43.02 41.18 2jdl s PHE 82 CO -0.05 0.11 1.35 1.19 -0.10 0.00 0.00 175.22 177.72 2jdl n PHE 83 N 1.74 2.27 -2.77 0.36 3.72 -0.74 -0.82 117.46 121.21 2jdl n PHE 83 Ca -0.17 0.43 -0.43 0.00 -0.05 0.00 0.00 57.45 57.23 2jdl n PHE 83 Cb 0.53 -2.36 -0.00 0.00 -0.94 0.00 0.00 39.48 36.71 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 -0.89 6.91 0.06 4.37 3.04 0.44 -4.55 114.94 124.33 2jdl s ASN 84 Ca 0.71 -2.61 -0.26 0.00 0.04 0.00 0.00 52.86 50.73 2jdl s ASN 84 Cb -0.42 -2.48 0.09 0.00 -1.54 0.00 0.00 41.25 36.89 2jdl s ASN 84 CO 0.50 -0.99 0.74 -1.83 -3.04 0.00 0.00 177.10 172.48 2jdl s GLU 85 N 2.93 1.05 0.30 0.43 -1.05 -1.26 -3.87 118.70 117.22 2jdl s GLU 85 Ca 0.47 -0.32 0.04 0.00 -0.15 0.00 0.00 54.97 55.01 2jdl s GLU 85 Cb -0.00 0.48 0.47 0.00 -0.44 0.00 0.00 34.13 34.64 2jdl s GLU 85 CO 0.02 -0.44 1.74 0.00 0.95 0.00 0.00 175.26 177.53 2jdl h ALA 86 N 2.10 1.15 -0.61 -0.84 0.00 -2.00 -2.24 119.26 116.83 2jdl h ALA 86 Ca -0.28 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.31 2jdl h ALA 86 Cb 1.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2jdl h ALA 86 CO 0.35 0.54 0.41 0.66 0.00 0.00 0.00 179.25 181.20 2jdl h SER 87 N 0.36 0.67 0.67 0.00 4.64 -1.97 -1.72 113.55 116.21 2jdl h SER 87 Ca 0.05 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.10 2jdl h SER 87 Cb 0.65 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 2jdl h SER 87 CO 0.05 0.48 -1.43 0.00 -0.87 0.00 0.00 176.83 175.05 2jdl h ALA 88 N 1.63 0.58 -0.77 5.18 0.00 -1.71 -2.29 119.26 121.87 2jdl h ALA 88 Ca 0.23 -1.23 -0.05 0.00 0.00 0.00 0.00 54.91 53.85 2jdl h ALA 88 Cb -0.03 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jdl h ALA 88 CO -0.06 1.43 0.27 1.15 0.00 0.00 0.00 179.25 182.04 2jdl h THR 89 N 0.01 1.26 -0.12 0.00 2.02 -1.19 -1.32 112.91 113.57 2jdl h THR 89 Ca -0.18 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2jdl h THR 89 Cb 1.92 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2jdl h THR 89 CO 0.10 0.35 0.02 -0.08 0.37 0.00 0.00 175.52 176.28 2jdl h GLU 90 N 1.14 0.20 -0.39 6.66 4.57 -1.33 -2.96 114.58 122.47 2jdl h GLU 90 Ca 0.25 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.45 2jdl h GLU 90 Cb 0.27 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2jdl h GLU 90 CO -0.01 0.41 0.27 0.00 -1.18 0.00 0.00 179.01 178.49 2jdl h ALA 91 N 0.79 2.11 0.00 2.92 0.00 -1.15 -1.74 119.26 122.19 2jdl h ALA 91 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jdl h ALA 91 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jdl h ALA 91 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.06 2jdl n ALA 92 N -2.55 1.95 0.55 0.00 0.00 -0.52 -0.68 120.51 119.26 2jdl n ALA 92 Ca 0.05 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2jdl n ALA 92 Cb 0.32 -1.30 0.37 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.35 -3.39 116.57 113.40 2jdl h LYS 93 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2jdl h LYS 93 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2jdl h LYS 93 CO 0.00 0.00 -1.03 0.66 -0.57 0.00 0.00 179.45 178.51 2jdl n TYR 94 N -2.41 0.00 -4.54 -1.35 4.01 0.15 -5.02 117.16 108.00 2jdl n TYR 94 Ca 0.05 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.51 2jdl n TYR 94 Cb 0.44 -0.02 -0.13 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.01 2.07 -1.27 -0.72 -7.23 -0.53 -4.75 120.40 105.95 2jdl s VAL 95 Ca -0.00 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2jdl s VAL 95 Cb 0.00 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2jdl s VAL 95 CO 0.02 0.15 1.11 0.49 -0.31 0.00 0.00 175.10 176.56 2jdl n PHE 96 N 1.28 -2.71 0.15 2.82 3.72 -1.26 -4.63 117.46 116.82 2jdl n PHE 96 Ca -0.18 0.96 0.02 0.00 -0.05 0.00 0.00 57.45 58.20 2jdl n PHE 96 Cb 0.53 -4.80 0.18 0.00 -0.94 0.00 0.00 39.48 34.45 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 -2.55 0.00 -0.23 -1.08 1.57 -1.88 -2.56 116.57 109.84 2jdl h LYS 97 Ca -0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2jdl h LYS 97 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2jdl h LYS 97 CO 0.52 0.52 0.00 -0.40 -0.57 0.00 0.00 179.45 179.52 2jdl n ASP 98 N -3.47 1.47 -4.69 0.86 3.85 -1.26 -4.88 116.55 108.44 2jdl n ASP 98 Ca 0.00 -1.86 -0.42 0.00 -0.71 0.00 0.00 54.79 51.80 2jdl n ASP 98 Cb 0.64 -0.15 -0.03 0.00 -1.35 0.00 0.00 41.12 40.23 2jdl n ASP 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jdl s ALA 99 N -1.70 3.70 0.21 2.12 0.00 -0.97 -4.88 121.76 120.25 2jdl s ALA 99 Ca 0.24 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 2jdl s ALA 99 Cb 0.13 -3.71 0.17 0.00 0.00 0.00 0.00 23.12 19.71 2jdl s ALA 99 CO 0.18 -1.11 1.58 1.98 0.00 0.00 0.00 175.76 178.39 2jdl h MET 100 N 8.31 0.65 -5.51 0.00 4.05 -1.19 -3.42 114.93 117.82 2jdl h MET 100 Ca -0.43 -0.32 -0.68 0.00 -0.28 0.00 0.00 59.70 57.98 2jdl h MET 100 Cb 1.20 0.00 -0.32 0.00 -0.80 0.00 0.00 31.60 31.68 2jdl h MET 100 CO 0.93 0.92 -0.88 1.03 0.23 0.00 0.00 176.91 179.14 2jdl s ARG 101 N -4.32 2.93 -0.21 0.39 0.52 -0.33 -5.03 118.95 112.91 2jdl s ARG 101 Ca -0.08 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2jdl s ARG 101 Cb 0.12 -2.27 0.03 0.00 0.52 0.00 0.00 34.95 33.35 2jdl s ARG 101 CO 0.83 0.23 -0.16 0.15 0.02 0.00 0.00 175.30 176.38 2jdl s LYS 102 N 0.21 2.80 -0.10 3.54 1.02 -1.26 -1.02 119.74 124.93 2jdl s LYS 102 Ca -0.15 -0.97 -0.02 0.00 0.02 0.00 0.00 55.97 54.86 2jdl s LYS 102 Cb -0.17 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 2jdl s LYS 102 CO 0.08 -0.32 -0.02 0.08 -0.92 0.00 0.00 175.35 174.25 2jdl s VAL 103 N 1.25 4.13 -0.32 3.17 1.01 0.40 -4.97 120.40 125.07 2jdl s VAL 103 Ca 0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2jdl s VAL 103 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2jdl s VAL 103 CO -0.10 0.58 0.28 -0.89 0.00 0.00 0.00 175.10 174.97 2jdl s THR 104 N -0.58 5.24 0.55 3.92 2.01 -1.26 -2.01 115.64 123.51 2jdl s THR 104 Ca 0.09 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.94 2jdl s THR 104 Cb -0.12 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2jdl s THR 104 CO 0.02 0.05 1.34 -0.76 -0.69 0.00 0.00 174.62 174.58 2jdl s LEU 105 N 1.86 3.84 0.00 4.42 1.43 -0.00 -4.87 118.68 125.36 2jdl s LEU 105 Ca 0.09 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 2jdl s LEU 105 Cb -0.17 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.76 2jdl s LEU 105 CO 0.11 -1.55 0.74 -0.81 0.23 0.00 0.00 176.35 175.07 2jdl n PRO 106 N -1.05 0.99 -4.00 1.29 -0.04 -1.26 -3.58 135.00 127.35 2jdl n PRO 106 Ca 0.10 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 2jdl n PRO 106 Cb 0.45 -1.25 -0.09 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.49 0.40 0.79 0.54 -0.85 -1.26 -4.99 117.35 110.49 2jdl s TYR 107 Ca 0.00 -0.88 -0.12 0.00 -0.52 0.00 0.00 57.07 55.56 2jdl s TYR 107 Cb 0.00 -0.25 0.06 0.00 0.38 0.00 0.00 41.96 42.16 2jdl s TYR 107 CO 0.00 -0.48 1.12 -1.54 -1.52 0.00 0.00 175.55 173.12 2jdl s SER 108 N -2.91 4.64 -1.05 -0.18 1.04 -1.25 -0.42 113.70 113.56 2jdl s SER 108 Ca 0.09 1.11 -0.19 0.00 0.48 0.00 0.00 55.95 57.43 2jdl s SER 108 Cb 0.06 -1.79 0.10 0.00 0.10 0.00 0.00 66.02 64.49 2jdl s SER 108 CO -0.08 -1.85 1.36 -0.83 0.98 0.00 0.00 173.24 172.81 2jdl s GLY 109 N -4.18 1.75 -0.24 7.32 0.00 -1.26 -4.62 107.32 106.08 2jdl s GLY 109 Ca 0.61 -2.71 -0.15 0.00 0.00 0.00 0.00 44.72 42.47 2jdl s GLY 109 CO 0.52 2.33 0.60 0.21 0.00 0.00 0.00 173.10 176.77 2jdl s ASN 110 N 4.03 -0.80 0.44 1.64 3.84 -1.26 -5.06 114.94 117.77 2jdl s ASN 110 Ca 0.41 1.31 0.11 0.00 0.21 0.00 0.00 52.86 54.91 2jdl s ASN 110 Cb -0.02 1.20 0.96 0.00 -0.55 0.00 0.00 41.25 42.85 2jdl s ASN 110 CO -0.06 -0.22 2.02 1.88 -2.79 0.00 0.00 177.10 177.93 2jdl h TYR 111 N 6.86 0.21 -0.18 0.43 0.05 -1.98 -1.13 116.97 121.24 2jdl h TYR 111 Ca -0.32 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.43 2jdl h TYR 111 Cb 1.21 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 2jdl h TYR 111 CO 0.14 0.23 0.02 0.93 -1.05 0.00 0.00 178.16 178.43 2jdl h GLU 112 N 0.21 0.30 -0.48 4.88 4.39 -1.97 0.11 114.58 122.02 2jdl h GLU 112 Ca 0.05 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2jdl h GLU 112 Cb 0.16 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2jdl h GLU 112 CO 0.00 0.48 -0.03 0.00 -1.16 0.00 0.00 179.01 178.30 2jdl h ARG 113 N 0.07 0.83 -0.36 2.33 2.47 -1.88 -1.69 114.38 116.15 2jdl h ARG 113 Ca 0.05 -0.24 -0.14 0.00 -1.26 0.00 0.00 59.98 58.38 2jdl h ARG 113 Cb 0.34 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 2jdl h ARG 113 CO 0.01 0.85 -0.34 -0.07 0.56 0.00 0.00 179.97 180.98 2jdl h LEU 114 N 0.76 0.92 -1.16 3.04 3.38 -1.10 -1.74 115.31 119.41 2jdl h LEU 114 Ca 0.14 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2jdl h LEU 114 Cb 0.51 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jdl h LEU 114 CO 0.03 1.19 -0.07 1.56 0.09 0.00 0.00 178.44 181.24 2jdl h GLN 115 N 0.66 0.50 -0.11 1.13 4.20 -0.68 0.17 115.11 120.98 2jdl h GLN 115 Ca 0.06 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2jdl h GLN 115 Cb 0.93 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 2jdl h GLN 115 CO 0.09 0.58 -0.05 1.15 -0.67 0.00 0.00 178.83 179.93 2jdl h THR 116 N 0.47 1.31 -0.59 -0.54 2.02 -1.23 -1.09 112.91 113.26 2jdl h THR 116 Ca 0.09 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 2jdl h THR 116 Cb 0.42 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 2jdl h THR 116 CO 0.02 0.30 0.35 0.00 0.37 0.00 0.00 175.52 176.56 2jdl h ALA 117 N 0.65 1.50 0.00 6.16 0.00 -1.16 -2.17 119.26 124.24 2jdl h ALA 117 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jdl h ALA 117 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jdl h ALA 117 CO 0.01 0.43 -0.07 0.00 0.00 0.00 0.00 179.25 179.62 2jdl h ALA 118 N 1.57 0.95 -4.75 0.00 0.00 -0.47 -3.47 119.26 113.09 2jdl h ALA 118 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.72 2jdl h ALA 118 Cb -0.02 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.82 2jdl h ALA 118 CO -0.04 0.00 -0.61 0.41 0.00 0.00 0.00 179.25 179.01 2jdl n GLY 119 N 1.30 -0.52 3.46 0.00 0.00 -0.46 -4.90 105.19 104.06 2jdl n GLY 119 Ca 0.05 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.81 0.60 0.31 1.61 1.02 -0.90 -5.06 119.74 111.50 2jdl s LYS 120 Ca 0.35 0.90 -0.10 0.00 0.02 0.00 0.00 55.97 57.13 2jdl s LYS 120 Cb -0.16 0.18 -0.07 0.00 -0.52 0.00 0.00 37.83 37.26 2jdl s LYS 120 CO 0.43 -0.12 0.65 0.96 -0.92 0.00 0.00 175.35 176.35 2jdl s ILE 121 N 0.94 4.85 0.39 2.17 -4.36 -1.26 -4.47 121.20 119.46 2jdl s ILE 121 Ca -0.05 0.56 0.16 0.00 -0.26 0.00 0.00 60.65 61.05 2jdl s ILE 121 Cb -0.05 -3.66 0.37 0.00 1.25 0.00 0.00 42.46 40.36 2jdl s ILE 121 CO -0.08 -0.26 1.82 0.03 0.24 0.00 0.00 174.94 176.69 2jdl h ARG 122 N 2.00 0.46 0.00 0.37 -0.00 -1.96 -1.51 114.38 113.74 2jdl h ARG 122 Ca -0.47 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 2jdl h ARG 122 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 31.05 2jdl h ARG 122 CO 0.66 0.30 0.02 0.39 0.00 0.00 0.00 179.97 181.35 2jdl n GLU 123 N -4.58 0.12 -0.24 0.04 4.71 -1.26 -2.24 120.64 117.19 2jdl n GLU 123 Ca 0.22 0.62 0.09 0.00 -0.01 0.00 0.00 57.16 58.07 2jdl n GLU 123 Cb 0.72 -1.93 0.19 0.00 -1.01 0.00 0.00 31.44 29.41 2jdl n GLU 123 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2jdl n ASN 124 N -2.18 3.06 -4.37 1.62 5.03 -0.57 -4.45 115.26 113.41 2jdl n ASN 124 Ca -0.01 -2.95 -0.36 0.00 0.87 0.00 0.00 54.58 52.13 2jdl n ASN 124 Cb 0.05 -0.45 -0.13 0.00 -1.02 0.00 0.00 39.78 38.23 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 -2.68 3.74 0.55 2.41 1.01 -0.95 -4.96 121.20 120.32 2jdl s ILE 125 Ca 0.35 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 2jdl s ILE 125 Cb 0.29 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 2jdl s ILE 125 CO 0.06 0.39 1.22 -2.84 0.00 0.00 0.00 174.94 173.77 2jdl s PRO 126 N 1.51 3.21 0.41 2.79 0.02 -1.26 -4.42 135.00 137.26 2jdl s PRO 126 Ca 0.06 1.87 0.05 0.00 0.02 0.00 0.00 61.00 62.99 2jdl s PRO 126 Cb -0.15 -2.10 -0.06 0.00 0.02 0.00 0.00 34.50 32.22 2jdl s PRO 126 CO -0.01 -1.03 0.03 -0.51 -0.33 0.00 0.00 177.00 175.15 2jdl s LEU 127 N -3.72 2.56 0.00 -5.54 1.43 0.14 -4.83 118.68 108.73 2jdl s LEU 127 Ca 0.73 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 2jdl s LEU 127 Cb -0.31 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2jdl s LEU 127 CO 0.35 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.95 2jdl n GLY 128 N -0.97 3.25 0.26 -3.19 0.00 -1.26 -0.54 105.19 102.74 2jdl n GLY 128 Ca -0.07 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 43.98 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 0.78 -1.21 0.99 3.38 -0.78 -1.12 115.31 117.36 2jdl h LEU 129 Ca 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2jdl h LEU 129 Cb 0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2jdl h LEU 129 CO 0.00 0.68 0.21 -0.65 0.09 0.00 0.00 178.44 178.77 2jdl h PRO 130 N 0.83 0.77 -0.75 1.13 0.11 -1.77 -0.80 132.00 131.51 2jdl h PRO 130 Ca 0.21 -0.11 0.05 0.00 0.11 0.00 0.00 66.00 66.26 2jdl h PRO 130 Cb 0.09 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.01 2jdl h PRO 130 CO -0.03 0.63 0.45 0.00 -0.21 0.00 0.00 178.00 178.84 2jdl h ALA 131 N 1.48 1.01 -0.69 -0.75 0.00 -1.71 -1.50 119.26 117.09 2jdl h ALA 131 Ca 0.18 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2jdl h ALA 131 Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2jdl h ALA 131 CO -0.02 0.18 0.24 1.25 0.00 0.00 0.00 179.25 180.91 2jdl h LEU 132 N 0.84 0.96 -0.92 0.00 5.85 -0.62 -1.06 115.31 120.37 2jdl h LEU 132 Ca 0.32 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 2jdl h LEU 132 Cb 0.14 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2jdl h LEU 132 CO -0.16 0.88 0.31 -0.78 -0.34 0.00 0.00 178.44 178.35 2jdl h ASP 133 N 1.01 1.00 0.61 1.25 3.58 -0.59 -1.67 116.42 121.62 2jdl h ASP 133 Ca 0.23 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.39 2jdl h ASP 133 Cb 0.24 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2jdl h ASP 133 CO -0.01 0.88 -0.68 0.28 -2.88 0.00 0.00 179.24 176.83 2jdl h SER 134 N 1.07 0.06 -0.27 2.28 0.02 -0.72 -2.61 113.55 113.39 2jdl h SER 134 Ca 0.25 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2jdl h SER 134 Cb 0.18 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2jdl h SER 134 CO -0.02 0.72 0.17 0.00 -1.14 0.00 0.00 176.83 176.55 2jdl h ALA 135 N 1.28 0.34 -0.03 3.77 0.00 -1.04 0.38 119.26 123.97 2jdl h ALA 135 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jdl h ALA 135 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jdl h ALA 135 CO 0.09 -0.21 0.01 0.82 0.00 0.00 0.00 179.25 179.96 2jdl h ILE 136 N 0.35 0.99 0.16 0.00 2.04 -1.01 -0.68 117.51 119.35 2jdl h ILE 136 Ca 0.10 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.97 2jdl h ILE 136 Cb -0.02 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2jdl h ILE 136 CO -0.04 0.00 -0.23 0.74 0.00 0.00 0.00 178.15 178.62 2jdl h THR 137 N 0.02 0.49 -0.83 -0.27 2.02 -1.41 0.41 112.91 113.34 2jdl h THR 137 Ca 0.01 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.35 2jdl h THR 137 Cb 0.01 0.49 -0.10 0.00 -1.74 0.00 0.00 68.15 66.81 2jdl h THR 137 CO -0.02 0.00 0.39 0.74 0.37 0.00 0.00 175.52 177.01 2jdl h THR 138 N -0.45 0.67 0.04 3.16 2.02 -0.64 -2.51 112.91 115.20 2jdl h THR 138 Ca 0.02 -0.19 -0.23 0.00 0.77 0.00 0.00 66.41 66.78 2jdl h THR 138 Cb 0.45 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2jdl h THR 138 CO -0.10 0.10 -1.00 -0.07 0.37 0.00 0.00 175.52 174.81 2jdl h LEU 139 N 0.54 0.40 -1.63 2.58 3.38 -0.76 -2.26 115.31 117.56 2jdl h LEU 139 Ca 0.46 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 58.16 2jdl h LEU 139 Cb 0.70 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2jdl h LEU 139 CO -0.40 1.19 0.37 0.15 0.09 0.00 0.00 178.44 179.84 2jdl h PHE 140 N 0.14 0.44 -0.02 1.13 3.57 0.24 -2.62 116.94 119.83 2jdl h PHE 140 Ca -0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2jdl h PHE 140 Cb 1.66 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.26 2jdl h PHE 140 CO 0.05 0.23 -0.13 0.66 -2.23 0.00 0.00 178.31 176.88 2jdl n TYR 141 N -4.47 0.00 -3.61 0.41 4.01 -1.05 -4.89 117.16 107.56 2jdl n TYR 141 Ca 0.08 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.60 2jdl n TYR 141 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 0.84 -1.50 -1.55 -0.72 9.36 -0.86 -4.90 117.16 117.83 2jdl n TYR 142 Ca 0.11 0.55 -0.36 0.00 3.32 0.00 0.00 57.90 61.52 2jdl n TYR 142 Cb 0.51 -2.14 -0.03 0.00 -0.63 0.00 0.00 39.34 37.05 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 -1.88 2.33 0.17 2.98 4.13 -1.14 -4.88 115.26 116.96 2jdl n ASN 143 Ca -0.23 -0.50 0.10 0.00 1.68 0.00 0.00 54.58 55.62 2jdl n ASN 143 Cb 0.53 -1.59 0.51 0.00 -1.54 0.00 0.00 39.78 37.70 2jdl n ASN 143 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jdl n ALA 144 N 15.91 0.89 0.10 5.41 0.00 -1.26 -0.65 120.51 140.91 2jdl n ALA 144 Ca 0.37 0.18 0.11 0.00 0.00 0.00 0.00 53.44 54.10 2jdl n ALA 144 Cb 0.55 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 2jdl n ALA 144 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jdl n ASN 145 N -2.20 0.20 -0.44 0.00 5.03 -1.26 -4.25 115.26 112.35 2jdl n ASN 145 Ca -0.01 -0.04 0.06 0.00 0.87 0.00 0.00 54.58 55.46 2jdl n ASN 145 Cb 0.14 1.69 0.04 0.00 -1.02 0.00 0.00 39.78 40.63 2jdl n ASN 145 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2jdl n SER 146 N -2.25 1.86 -0.05 6.41 2.88 -0.91 -4.80 113.62 116.77 2jdl n SER 146 Ca -0.03 -1.43 -0.13 0.00 -1.33 0.00 0.00 58.87 55.96 2jdl n SER 146 Cb 0.55 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 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 2.37 0.57 -0.38 -1.46 0.00 -1.06 -3.01 119.26 116.29 2jdl h ALA 147 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2jdl h ALA 147 Cb 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2jdl h ALA 147 CO 0.00 0.68 0.11 0.00 0.00 0.00 0.00 179.25 180.04 2jdl h ALA 148 N 0.81 0.50 -0.40 0.00 0.00 -1.85 0.94 119.26 119.26 2jdl h ALA 148 Ca 0.01 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2jdl h ALA 148 Cb 1.12 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2jdl h ALA 148 CO 0.11 0.15 0.03 1.03 0.00 0.00 0.00 179.25 180.57 2jdl h SER 149 N 0.47 -0.10 0.72 0.00 0.87 -1.83 -1.37 113.55 112.29 2jdl h SER 149 Ca 0.12 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2jdl h SER 149 Cb 0.27 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2jdl h SER 149 CO -0.00 -0.02 -0.34 0.00 -0.53 0.00 0.00 176.83 175.94 2jdl h ALA 150 N 1.34 1.08 -0.17 6.23 0.00 -1.34 -0.65 119.26 125.74 2jdl h ALA 150 Ca 0.20 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2jdl h ALA 150 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jdl h ALA 150 CO -0.30 0.43 -0.61 -0.07 0.00 0.00 0.00 179.25 178.69 2jdl h LEU 151 N 0.00 0.67 -0.57 0.00 3.38 -0.55 -1.86 115.31 116.37 2jdl h LEU 151 Ca -0.00 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 2jdl h LEU 151 Cb 0.80 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2jdl h LEU 151 CO 0.04 1.12 0.10 0.24 0.09 0.00 0.00 178.44 180.03 2jdl h MET 152 N 0.43 0.94 -0.24 1.13 2.86 -0.35 0.32 114.93 120.03 2jdl h MET 152 Ca -0.01 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 2jdl h MET 152 Cb 1.18 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.68 2jdl h MET 152 CO 0.12 0.90 -0.06 0.28 1.06 0.00 0.00 176.91 179.20 2jdl h VAL 153 N 0.84 0.76 -0.11 -2.22 2.07 -1.13 -2.44 116.25 114.02 2jdl h VAL 153 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 2jdl h VAL 153 Cb 0.41 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2jdl h VAL 153 CO 0.01 0.00 0.04 0.25 0.02 0.00 0.00 177.57 177.89 2jdl h LEU 154 N -0.00 0.06 -0.21 2.57 5.85 -1.13 -1.88 115.31 120.57 2jdl h LEU 154 Ca 0.12 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2jdl h LEU 154 Cb 0.18 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2jdl h LEU 154 CO -0.25 0.05 -0.11 0.40 -0.34 0.00 0.00 178.44 178.19 2jdl h ILE 155 N 0.10 0.65 0.00 4.05 2.04 -0.93 -2.34 117.51 121.09 2jdl h ILE 155 Ca 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 2jdl h ILE 155 Cb 0.02 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2jdl h ILE 155 CO -0.04 0.00 -0.35 1.56 0.00 0.00 0.00 178.15 179.32 2jdl h GLN 156 N -0.09 0.00 -0.01 2.37 4.20 -1.20 -0.62 115.11 119.75 2jdl h GLN 156 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2jdl h GLN 156 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2jdl h GLN 156 CO -0.27 0.35 -0.23 0.43 -0.67 0.00 0.00 178.83 178.43 2jdl n SER 157 N -3.65 0.86 0.00 1.46 7.64 -0.73 -1.82 113.62 117.38 2jdl n SER 157 Ca -0.01 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.10 2jdl n SER 157 Cb 0.46 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.77 0.00 -0.04 0.44 -2.24 -0.90 -4.70 114.28 106.07 2jdl n THR 158 Ca 0.12 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 2jdl n THR 158 Cb 0.33 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.21 -0.05 3.42 0.02 -1.34 0.14 113.55 114.53 2jdl h SER 159 Ca 0.00 0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2jdl h SER 159 Cb 0.00 0.51 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2jdl h SER 159 CO 0.00 -0.38 -0.14 -0.33 -1.14 0.00 0.00 176.83 174.84 2jdl h GLU 160 N -0.40 0.18 -0.73 3.45 4.39 -1.52 -2.13 114.58 117.82 2jdl h GLU 160 Ca 0.11 -0.13 0.16 0.00 0.34 0.00 0.00 59.36 59.83 2jdl h GLU 160 Cb 0.58 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.15 2jdl h GLU 160 CO -0.44 0.75 0.18 0.00 -1.16 0.00 0.00 179.01 178.34 2jdl h ALA 161 N 0.43 0.94 -0.95 3.43 0.00 -1.22 -0.86 119.26 121.02 2jdl h ALA 161 Ca -0.00 0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2jdl h ALA 161 Cb 0.76 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 2jdl h ALA 161 CO 0.03 -0.33 0.61 0.00 0.00 0.00 0.00 179.25 179.55 2jdl h ALA 162 N 1.60 1.61 0.00 0.00 0.00 -0.60 -3.19 119.26 118.68 2jdl h ALA 162 Ca 0.41 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 2jdl h ALA 162 Cb 0.69 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2jdl h ALA 162 CO -0.50 0.17 -0.85 0.00 0.00 0.00 0.00 179.25 178.07 2jdl h ARG 163 N 0.92 0.00 -3.52 0.00 3.08 -0.53 -3.40 114.38 110.93 2jdl h ARG 163 Ca 0.46 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 60.09 2jdl h ARG 163 Cb 0.50 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.16 2jdl h ARG 163 CO -0.22 0.74 -0.76 0.71 -1.07 0.00 0.00 179.97 179.37 2jdl s TYR 164 N -2.82 0.45 0.56 3.04 2.02 -0.45 -0.69 117.35 119.47 2jdl s TYR 164 Ca 0.02 -0.06 0.28 0.00 -0.37 0.00 0.00 57.07 56.93 2jdl s TYR 164 Cb 0.09 -0.70 1.49 0.00 -0.40 0.00 0.00 41.96 42.44 2jdl s TYR 164 CO 0.79 -0.31 1.97 0.87 -1.57 0.00 0.00 175.55 177.31 2jdl h LYS 165 N 8.37 0.00 -0.13 -0.62 1.57 -1.02 -2.05 116.57 122.69 2jdl h LYS 165 Ca -0.17 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.40 2jdl h LYS 165 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.44 2jdl h LYS 165 CO 0.23 0.00 -0.77 0.35 -0.57 0.00 0.00 179.45 178.69 2jdl h PHE 166 N 0.00 0.91 0.12 -1.35 3.57 -1.88 -2.22 116.94 116.09 2jdl h PHE 166 Ca 0.22 -0.40 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 2jdl h PHE 166 Cb 1.02 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2jdl h PHE 166 CO 0.00 1.21 -0.06 0.82 -2.23 0.00 0.00 178.31 178.05 2jdl h ILE 167 N 0.45 1.04 -0.26 1.41 2.04 -1.74 -1.94 117.51 118.52 2jdl h ILE 167 Ca -0.05 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.16 2jdl h ILE 167 Cb 1.38 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 2jdl h ILE 167 CO 0.15 0.16 -0.37 -0.08 0.00 0.00 0.00 178.15 178.01 2jdl h GLU 168 N -0.48 -0.26 -0.84 2.37 4.81 -1.43 -1.91 114.58 116.83 2jdl h GLU 168 Ca -0.02 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2jdl h GLU 168 Cb 0.39 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 2jdl h GLU 168 CO 0.03 -0.17 0.49 -0.56 -0.73 0.00 0.00 179.01 178.06 2jdl h GLN 169 N -0.27 0.79 -0.52 1.92 -0.00 -1.43 -1.21 115.11 114.39 2jdl h GLN 169 Ca 0.05 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 2jdl h GLN 169 Cb 0.40 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.48 27.68 2jdl h GLN 169 CO -0.39 0.53 -0.02 1.96 -0.00 0.00 0.00 178.83 180.91 2jdl h GLN 170 N 0.82 0.89 -0.03 0.06 1.08 -1.17 -2.01 115.11 114.75 2jdl h GLN 170 Ca 0.40 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2jdl h GLN 170 Cb 0.36 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2jdl h GLN 170 CO -0.24 0.90 -0.09 0.82 -0.95 0.00 0.00 178.83 179.26 2jdl h ILE 171 N 0.82 1.48 0.00 2.54 2.04 -1.08 -3.32 117.51 119.99 2jdl h ILE 171 Ca 0.15 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.46 2jdl h ILE 171 Cb 0.52 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 2jdl h ILE 171 CO 0.03 0.42 0.00 1.23 0.00 0.00 0.00 178.15 179.82 2jdl h GLY 172 N -0.47 0.00 2.00 5.37 0.00 -1.19 -2.03 103.07 106.74 2jdl h GLY 172 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2jdl h GLY 172 CO 0.02 0.00 -0.66 1.70 0.00 0.00 0.00 176.54 177.60 2jdl h LYS 173 N 0.00 0.00 -5.53 4.80 3.64 -1.46 -3.20 116.57 114.82 2jdl h LYS 173 Ca 0.00 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 2jdl h LYS 173 Cb 0.41 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.09 2jdl h LYS 173 CO 0.00 0.66 1.23 1.03 -2.27 0.00 0.00 179.45 180.10 2jdl s ARG 174 N -3.02 3.64 -0.13 1.90 3.00 -0.76 -4.79 118.95 118.79 2jdl s ARG 174 Ca 0.02 -1.54 -0.01 0.00 0.00 0.00 0.00 55.73 54.20 2jdl s ARG 174 Cb 0.09 -5.15 -0.24 0.00 0.00 0.00 0.00 34.95 29.65 2jdl s ARG 174 CO 0.76 -1.99 0.30 0.28 0.00 0.00 0.00 175.30 174.66 2jdl n VAL 175 N 6.10 1.69 -0.94 3.52 0.31 -1.26 -0.31 118.33 127.44 2jdl n VAL 175 Ca 0.30 -0.68 0.03 0.00 -0.01 0.00 0.00 64.34 63.98 2jdl n VAL 175 Cb 0.49 -1.50 0.04 0.00 -0.91 0.00 0.00 33.84 31.97 2jdl n VAL 175 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2jdl n ASP 176 N -3.34 1.31 -3.35 4.52 3.85 -1.26 -4.43 116.55 113.85 2jdl n ASP 176 Ca -0.32 -2.15 -0.14 0.00 -0.71 0.00 0.00 54.79 51.47 2jdl n ASP 176 Cb 1.04 -0.17 -0.05 0.00 -1.35 0.00 0.00 41.12 40.59 2jdl n ASP 176 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 2jdl s LYS 177 N -1.18 1.85 0.40 0.11 -2.85 -1.26 -5.01 119.74 111.79 2jdl s LYS 177 Ca 0.10 -1.72 0.07 0.00 -1.00 0.00 0.00 55.97 53.43 2jdl s LYS 177 Cb 0.09 0.44 -0.07 0.00 -2.06 0.00 0.00 37.83 36.22 2jdl s LYS 177 CO 0.01 -0.76 0.01 0.95 0.10 0.00 0.00 175.35 175.66 2jdl s THR 178 N -3.19 2.09 0.06 3.79 -4.23 -1.26 -4.44 115.64 108.46 2jdl s THR 178 Ca 0.30 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 2jdl s THR 178 Cb -0.00 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.90 2jdl s THR 178 CO 0.19 -0.04 0.20 0.72 -0.54 0.00 0.00 174.62 175.16 2jdl s PHE 179 N -2.68 0.08 -0.22 3.99 -0.71 0.29 -4.93 117.98 113.81 2jdl s PHE 179 Ca 0.35 -0.39 -0.15 0.00 -1.04 0.00 0.00 56.93 55.70 2jdl s PHE 179 Cb 0.08 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 2jdl s PHE 179 CO 0.18 -0.49 0.35 -0.51 -1.34 0.00 0.00 175.22 173.42 2jdl s LEU 180 N -2.43 4.13 0.29 -1.99 1.02 -1.26 0.26 118.68 118.70 2jdl s LEU 180 Ca -0.01 0.41 -0.29 0.00 0.02 0.00 0.00 54.13 54.26 2jdl s LEU 180 Cb 0.02 -2.43 -0.10 0.00 0.02 0.00 0.00 46.19 43.70 2jdl s LEU 180 CO -0.07 -0.06 1.31 -2.16 0.02 0.00 0.00 176.35 175.39 2jdl s PRO 181 N 1.35 4.37 0.89 1.29 0.04 -1.26 -4.99 135.00 136.70 2jdl s PRO 181 Ca 0.16 2.16 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 2jdl s PRO 181 Cb -0.15 -3.11 0.13 0.00 0.04 0.00 0.00 34.50 31.41 2jdl s PRO 181 CO 0.07 -0.20 1.10 -1.54 0.04 0.00 0.00 177.00 176.47 2jdl s SER 182 N -0.24 3.37 0.54 6.66 1.04 -1.26 -4.61 113.70 119.21 2jdl s SER 182 Ca 0.51 1.72 0.26 0.00 0.48 0.00 0.00 55.95 58.92 2jdl s SER 182 Cb -0.39 -2.35 1.44 0.00 0.10 0.00 0.00 66.02 64.82 2jdl s SER 182 CO 0.48 -2.74 2.00 -0.07 0.98 0.00 0.00 173.24 173.89 2jdl h LEU 183 N -1.61 0.00 -0.19 2.42 3.38 -1.94 -2.81 115.31 114.56 2jdl h LEU 183 Ca -0.48 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.53 2jdl h LEU 183 Cb 1.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 2jdl h LEU 183 CO 0.51 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.95 2jdl h ALA 184 N 1.71 0.08 -0.14 1.53 0.00 -1.72 0.18 119.26 120.90 2jdl h ALA 184 Ca 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jdl h ALA 184 Cb 0.95 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jdl h ALA 184 CO -0.00 -0.51 0.08 0.82 0.00 0.00 0.00 179.25 179.64 2jdl h ILE 185 N -0.06 1.08 -0.10 0.00 2.04 -1.80 -1.37 117.51 117.31 2jdl h ILE 185 Ca 0.10 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.79 2jdl h ILE 185 Cb 0.21 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2jdl h ILE 185 CO -0.23 0.07 -0.12 0.40 0.00 0.00 0.00 178.15 178.28 2jdl h ILE 186 N 0.14 0.68 -0.59 -0.67 1.08 -1.40 -1.65 117.51 115.10 2jdl h ILE 186 Ca 0.05 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.63 2jdl h ILE 186 Cb 0.05 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 34.40 2jdl h ILE 186 CO -0.01 0.00 0.14 -1.28 -0.69 0.00 0.00 178.15 176.31 2jdl h SER 187 N -0.15 0.03 -0.55 1.72 0.87 -0.50 -0.16 113.55 114.81 2jdl h SER 187 Ca 0.08 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2jdl h SER 187 Cb 0.26 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2jdl h SER 187 CO -0.19 0.02 0.25 -0.07 -0.53 0.00 0.00 176.83 176.31 2jdl h LEU 188 N 0.27 0.73 0.18 2.23 3.38 -0.89 -0.90 115.31 120.31 2jdl h LEU 188 Ca 0.31 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jdl h LEU 188 Cb 0.45 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jdl h LEU 188 CO -0.39 0.68 -0.11 -0.33 0.09 0.00 0.00 178.44 178.38 2jdl h GLU 189 N 0.74 -0.27 -0.72 1.13 5.08 -0.87 -2.84 114.58 116.83 2jdl h GLU 189 Ca 0.19 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2jdl h GLU 189 Cb 0.15 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2jdl h GLU 189 CO -0.02 -0.18 0.47 -0.91 -1.00 0.00 0.00 179.01 177.37 2jdl h ASN 190 N -0.29 0.75 -0.39 1.42 2.35 -0.86 -3.11 115.58 115.45 2jdl h ASN 190 Ca -0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2jdl h ASN 190 Cb 0.24 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2jdl h ASN 190 CO 0.01 0.51 0.00 -1.20 -1.65 0.00 0.00 177.43 175.11 2jdl n SER 191 N -4.46 2.46 -0.08 5.81 7.64 -0.36 -4.53 113.62 120.10 2jdl n SER 191 Ca 0.09 -1.92 -0.05 0.00 1.01 0.00 0.00 58.87 58.00 2jdl n SER 191 Cb 0.13 -0.26 0.15 0.00 -1.01 0.00 0.00 64.21 63.22 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 2.89 0.81 -0.04 1.43 7.01 -1.44 0.10 115.95 126.71 2jdl h TRP 192 Ca 0.00 -0.14 -0.12 0.00 2.11 0.00 0.00 58.89 60.75 2jdl h TRP 192 Cb 0.65 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.51 2jdl h TRP 192 CO 0.26 0.80 -0.43 1.03 -2.79 0.00 0.00 178.44 177.31 2jdl h SER 193 N 0.68 0.44 -0.28 2.65 0.87 -1.86 -1.61 113.55 114.45 2jdl h SER 193 Ca 0.12 -0.71 -0.18 0.00 -1.23 0.00 0.00 61.79 59.79 2jdl h SER 193 Cb 0.56 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2jdl h SER 193 CO 0.03 1.09 -0.55 0.00 -0.53 0.00 0.00 176.83 176.87 2jdl h ALA 194 N 0.37 0.44 -0.43 6.23 0.00 -1.83 -0.12 119.26 123.92 2jdl h ALA 194 Ca -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2jdl h ALA 194 Cb 1.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2jdl h ALA 194 CO 0.09 0.66 0.15 -0.07 0.00 0.00 0.00 179.25 180.08 2jdl h LEU 195 N 0.64 0.61 -0.23 0.00 3.38 -0.84 -1.70 115.31 117.17 2jdl h LEU 195 Ca 0.01 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2jdl h LEU 195 Cb 1.16 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2jdl h LEU 195 CO 0.12 0.64 -0.04 0.28 0.09 0.00 0.00 178.44 179.53 2jdl h SER 196 N 0.56 -0.17 -0.79 -0.43 0.02 -1.21 -1.21 113.55 110.31 2jdl h SER 196 Ca 0.14 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 2jdl h SER 196 Cb 0.23 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 2jdl h SER 196 CO -0.01 -0.06 0.50 0.50 -1.14 0.00 0.00 176.83 176.63 2jdl h LYS 197 N 0.03 0.94 -0.15 3.45 3.64 -0.92 -1.87 116.57 121.68 2jdl h LYS 197 Ca 0.11 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2jdl h LYS 197 Cb 0.16 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2jdl h LYS 197 CO -0.22 0.62 -0.30 1.96 -2.27 0.00 0.00 179.45 179.24 2jdl h GLN 198 N 0.96 0.29 -0.33 1.90 1.08 -0.53 -2.11 115.11 116.37 2jdl h GLN 198 Ca 0.32 -0.11 -0.16 0.00 -1.45 0.00 0.00 58.65 57.25 2jdl h GLN 198 Cb 0.04 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2jdl h GLN 198 CO -0.12 0.57 -0.44 0.82 -0.95 0.00 0.00 178.83 178.70 2jdl h ILE 199 N 0.26 1.28 -0.14 2.54 2.04 -0.93 0.11 117.51 122.66 2jdl h ILE 199 Ca 0.04 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.31 2jdl h ILE 199 Cb 0.66 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2jdl h ILE 199 CO 0.05 0.53 -0.06 1.56 0.00 0.00 0.00 178.15 180.23 2jdl h GLN 200 N 0.69 -0.04 -0.71 2.37 4.20 -1.04 -2.54 115.11 118.04 2jdl h GLN 200 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2jdl h GLN 200 Cb 1.02 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2jdl h GLN 200 CO 0.10 -0.02 0.45 0.82 -0.67 0.00 0.00 178.83 179.50 2jdl h ILE 201 N -0.04 1.20 -0.26 2.54 2.04 -1.22 -2.24 117.51 119.53 2jdl h ILE 201 Ca 0.08 -0.41 0.08 0.00 1.00 0.00 0.00 64.86 65.61 2jdl h ILE 201 Cb 0.15 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2jdl h ILE 201 CO -0.17 0.20 0.22 0.00 0.00 0.00 0.00 178.15 178.40 2jdl h ALA 202 N 1.24 2.10 0.00 1.87 0.00 -0.53 -2.07 119.26 121.87 2jdl h ALA 202 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jdl h ALA 202 Cb -0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jdl h ALA 202 CO -0.05 -0.36 0.00 0.66 0.00 0.00 0.00 179.25 179.50 2jdl h SER 203 N 0.00 0.00 0.00 0.00 4.64 -0.98 0.35 113.55 117.56 2jdl h SER 203 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2jdl h SER 203 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2jdl h SER 203 CO -0.00 0.00 -0.23 0.35 -0.87 0.00 0.00 176.83 176.07 2jdl n THR 204 N -3.08 1.79 -2.67 2.95 -2.24 -0.80 -4.70 114.28 105.53 2jdl n THR 204 Ca 0.00 -2.38 0.01 0.00 -2.27 0.00 0.00 64.05 59.40 2jdl n THR 204 Cb 0.27 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.17 0.91 -3.68 3.42 5.15 -0.63 -5.00 115.26 114.27 2jdl n ASN 205 Ca 0.15 -2.04 -0.27 0.00 -0.60 0.00 0.00 54.58 51.83 2jdl n ASN 205 Cb 0.68 -0.25 -0.02 0.00 -0.53 0.00 0.00 39.78 39.66 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 -0.35 -3.09 0.00 1.20 4.13 -1.10 -1.58 115.26 114.47 2jdl n ASN 206 Ca 0.02 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.68 2jdl n ASN 206 Cb 0.90 -2.58 0.00 0.00 -1.54 0.00 0.00 39.78 36.57 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 -1.15 0.89 3.75 7.41 0.00 0.12 -5.02 105.19 111.18 2jdl n GLY 207 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.18 4.33 0.49 1.61 -1.52 -0.61 -1.94 119.66 121.84 2jdl s GLN 208 Ca 0.00 0.70 -0.22 0.00 -1.95 0.00 0.00 55.36 53.89 2jdl s GLN 208 Cb 0.00 -3.38 -0.06 0.00 -0.22 0.00 0.00 33.01 29.35 2jdl s GLN 208 CO 0.00 0.28 1.19 -0.06 -0.25 0.00 0.00 175.29 176.45 2jdl s PHE 209 N 0.13 2.72 0.09 0.91 0.40 -0.57 -3.53 117.98 118.14 2jdl s PHE 209 Ca 0.31 1.51 0.05 0.00 -0.60 0.00 0.00 56.93 58.20 2jdl s PHE 209 Cb -0.17 -3.44 -0.23 0.00 0.51 0.00 0.00 43.02 39.69 2jdl s PHE 209 CO 0.16 -1.78 1.19 1.49 0.70 0.00 0.00 175.22 176.98 2jdl h GLU 210 N 1.76 0.06 -3.63 0.44 4.81 -1.88 -3.45 114.58 112.69 2jdl h GLU 210 Ca -0.50 -0.10 -0.44 0.00 -0.13 0.00 0.00 59.36 58.19 2jdl h GLU 210 Cb 1.26 0.04 -0.38 0.00 0.63 0.00 0.00 28.75 30.29 2jdl h GLU 210 CO 0.59 1.01 -0.76 -1.12 -0.73 0.00 0.00 179.01 177.99 2jdl s SER 211 N -6.75 1.72 0.14 1.04 0.01 -1.26 -5.14 113.70 103.45 2jdl s SER 211 Ca -0.01 -0.17 -0.24 0.00 1.31 0.00 0.00 55.95 56.84 2jdl s SER 211 Cb 0.09 -0.42 -0.14 0.00 0.21 0.00 0.00 66.02 65.76 2jdl s SER 211 CO 0.83 -0.22 0.49 -0.81 0.41 0.00 0.00 173.24 173.94 2jdl n PRO 212 N 5.15 0.00 -4.32 12.44 -0.04 -1.26 -4.92 135.00 142.05 2jdl n PRO 212 Ca -0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.06 2jdl n PRO 212 Cb 0.50 -0.87 -0.15 0.00 -0.04 0.00 0.00 33.50 32.94 2jdl n PRO 212 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jdl s VAL 213 N -0.68 2.71 -0.28 0.52 1.01 -0.09 -4.93 120.40 118.65 2jdl s VAL 213 Ca 0.55 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 2jdl s VAL 213 Cb -0.79 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2jdl s VAL 213 CO 0.45 0.50 0.51 -0.69 0.00 0.00 0.00 175.10 175.88 2jdl s VAL 214 N 1.03 5.06 0.28 2.92 1.01 -1.26 0.25 120.40 129.69 2jdl s VAL 214 Ca -0.01 0.79 0.08 0.00 0.00 0.00 0.00 61.98 62.84 2jdl s VAL 214 Cb -0.15 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2jdl s VAL 214 CO -0.03 0.04 0.10 -0.76 0.00 0.00 0.00 175.10 174.45 2jdl s LEU 215 N 2.33 3.42 -0.18 3.92 1.43 0.60 -4.95 118.68 125.26 2jdl s LEU 215 Ca 0.21 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2jdl s LEU 215 Cb -0.16 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2jdl s LEU 215 CO 0.10 -0.08 0.01 -0.63 0.23 0.00 0.00 176.35 175.97 2jdl s ILE 216 N -2.28 4.21 0.65 -0.59 -1.09 -1.26 -0.22 121.20 120.62 2jdl s ILE 216 Ca 0.33 -0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.47 2jdl s ILE 216 Cb -0.06 -2.88 0.14 0.00 -1.58 0.00 0.00 42.46 38.08 2jdl s ILE 216 CO 0.22 0.46 0.89 -0.46 -1.23 0.00 0.00 174.94 174.82 2jdl n ASN 217 N 3.77 0.73 0.00 3.58 0.23 -0.60 -4.09 115.26 118.88 2jdl n ASN 217 Ca -0.17 -1.72 0.10 0.00 -0.53 0.00 0.00 54.58 52.25 2jdl n ASN 217 Cb 0.52 -0.62 0.47 0.00 -2.08 0.00 0.00 39.78 38.07 2jdl n ASN 217 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jdl n ALA 218 N -3.19 1.98 -0.38 -2.53 0.00 -1.26 -1.52 120.51 113.61 2jdl n ALA 218 Ca -0.15 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.32 2jdl n ALA 218 Cb 0.47 -1.32 0.33 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 -1.39 3.03 -1.18 0.00 3.00 -1.26 -4.95 117.38 114.62 2jdl n GLN 219 Ca 0.07 -2.67 -0.06 0.00 -0.01 0.00 0.00 57.00 54.33 2jdl n GLN 219 Cb 0.19 -1.67 -0.03 0.00 0.00 0.00 0.00 30.24 28.73 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 1.44 -4.32 -4.80 1.08 4.13 -0.58 -5.00 115.26 107.21 2jdl n ASN 220 Ca 0.25 0.16 -0.38 0.00 1.68 0.00 0.00 54.58 56.28 2jdl n ASN 220 Cb 0.70 -2.38 -0.06 0.00 -1.54 0.00 0.00 39.78 36.50 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 -2.15 4.32 -0.22 3.52 -0.21 -1.26 -4.78 119.66 118.87 2jdl s GLN 221 Ca 0.00 0.89 -0.29 0.00 0.02 0.00 0.00 55.36 55.98 2jdl s GLN 221 Cb 0.00 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.87 2jdl s GLN 221 CO 0.00 0.55 1.05 1.03 -2.12 0.00 0.00 175.29 175.80 2jdl s ARG 222 N -1.37 4.27 0.03 2.91 0.52 -1.26 -1.56 118.95 122.49 2jdl s ARG 222 Ca 0.35 1.37 0.05 0.00 -0.52 0.00 0.00 55.73 56.99 2jdl s ARG 222 Cb -0.20 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.61 2jdl s ARG 222 CO 0.22 -0.61 -0.16 0.14 0.02 0.00 0.00 175.30 174.91 2jdl s VAL 223 N 3.13 1.26 -0.20 3.52 -7.23 0.70 -5.00 120.40 116.58 2jdl s VAL 223 Ca 0.45 -0.99 -0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2jdl s VAL 223 Cb -0.16 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 2jdl s VAL 223 CO 0.07 0.11 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.03 2jdl s THR 224 N -0.75 3.46 -0.24 5.32 2.01 -1.26 -0.29 115.64 123.89 2jdl s THR 224 Ca 0.04 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 2jdl s THR 224 Cb -0.08 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 2jdl s THR 224 CO 0.01 0.45 0.08 -0.63 -0.69 0.00 0.00 174.62 173.84 2jdl s ILE 225 N 1.10 4.51 0.00 1.82 -1.09 0.14 -4.94 121.20 122.74 2jdl s ILE 225 Ca 0.01 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 2jdl s ILE 225 Cb -0.15 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2jdl s ILE 225 CO -0.00 0.35 0.44 0.35 -1.23 0.00 0.00 174.94 174.85 2jdl n THR 226 N 4.65 0.19 -3.78 2.92 -2.24 -1.26 -0.92 114.28 113.84 2jdl n THR 226 Ca -0.16 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 2jdl n THR 226 Cb 0.52 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.19 -0.16 0.00 3.42 2.20 -1.26 -1.51 114.94 117.44 2jdl s ASN 227 Ca 0.00 -0.49 0.19 0.00 -0.94 0.00 0.00 52.86 51.63 2jdl s ASN 227 Cb 0.00 0.54 1.10 0.00 -2.00 0.00 0.00 41.25 40.88 2jdl s ASN 227 CO 0.00 -1.00 1.72 1.33 -2.94 0.00 0.00 177.10 176.20 2jdl n VAL 228 N -0.49 0.03 0.85 3.54 0.24 -0.82 -3.02 118.33 118.66 2jdl n VAL 228 Ca -0.06 -0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.32 2jdl n VAL 228 Cb 0.60 -0.21 0.16 0.00 -1.47 0.00 0.00 33.84 32.93 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 -0.65 0.60 -4.56 -1.34 8.00 -1.26 -4.49 116.55 112.84 2jdl n ASP 229 Ca 0.15 -0.25 -0.50 0.00 0.71 0.00 0.00 54.79 54.90 2jdl n ASP 229 Cb 0.10 0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 2jdl n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jdl n ALA 230 N -1.61 -1.16 -0.19 2.24 0.00 -1.17 -4.86 120.51 113.76 2jdl n ALA 230 Ca 0.04 0.48 0.27 0.00 0.00 0.00 0.00 53.44 54.23 2jdl n ALA 230 Cb 0.37 -1.98 0.68 0.00 0.00 0.00 0.00 19.45 18.51 2jdl n ALA 230 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jdl h GLY 231 N 3.29 0.20 2.00 0.00 0.00 -1.93 -1.32 103.07 105.32 2jdl h GLY 231 Ca -0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2jdl h GLY 231 CO 0.69 -0.01 -0.35 -0.24 0.00 0.00 0.00 176.54 176.63 2jdl h VAL 232 N 0.09 1.17 0.22 4.60 3.04 -1.91 0.01 116.25 123.47 2jdl h VAL 232 Ca 0.44 -1.25 -0.34 0.00 -1.01 0.00 0.00 66.70 64.54 2jdl h VAL 232 Cb 1.60 1.69 0.02 0.00 -2.01 0.00 0.00 31.29 32.59 2jdl h VAL 232 CO -0.05 0.35 -1.60 0.58 -1.01 0.00 0.00 177.57 175.84 2jdl h VAL 233 N 0.00 1.13 0.00 1.51 2.07 -1.57 -1.90 116.25 117.49 2jdl h VAL 233 Ca -0.00 -2.63 -0.10 0.00 0.82 0.00 0.00 66.70 64.78 2jdl h VAL 233 Cb 0.66 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 2jdl h VAL 233 CO 0.05 0.83 -1.24 0.71 0.02 0.00 0.00 177.57 177.94 2jdl h THR 234 N 0.13 0.31 -0.10 2.57 1.35 -1.38 -3.41 112.91 112.38 2jdl h THR 234 Ca -0.29 -1.62 -0.19 0.00 -0.55 0.00 0.00 66.41 63.76 2jdl h THR 234 Cb 2.14 1.84 -0.33 0.00 -1.73 0.00 0.00 68.15 70.06 2jdl h THR 234 CO 0.23 0.18 -0.89 -1.20 -0.25 0.00 0.00 175.52 173.59 2jdl n SER 235 N -2.82 0.65 0.04 5.36 7.64 -0.02 -5.00 113.62 119.47 2jdl n SER 235 Ca -0.06 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.80 2jdl n SER 235 Cb 0.73 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.02 -0.61 -4.69 6.43 2.85 -1.21 -4.82 115.26 113.22 2jdl n ASN 236 Ca -0.01 0.14 -0.44 0.00 -0.11 0.00 0.00 54.58 54.17 2jdl n ASN 236 Cb 0.98 0.91 -0.03 0.00 1.24 0.00 0.00 39.78 42.88 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 -2.66 0.79 -0.02 -1.44 3.06 -0.71 -0.57 119.36 117.80 2jdl n ILE 237 Ca 0.00 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 2jdl n ILE 237 Cb 0.00 -1.65 0.00 0.00 0.54 0.00 0.00 39.64 38.53 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 2.29 1.44 -3.21 1.51 0.00 0.14 -4.86 120.51 117.81 2jdl n ALA 238 Ca 0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2jdl n ALA 238 Cb 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.32 0.92 -0.23 0.00 1.43 -1.23 -4.06 118.68 114.19 2jdl s LEU 239 Ca 0.00 0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2jdl s LEU 239 Cb 0.00 0.89 -0.02 0.00 0.03 0.00 0.00 46.19 47.09 2jdl s LEU 239 CO 0.00 -0.10 0.03 -0.76 0.23 0.00 0.00 176.35 175.75 2jdl s LEU 240 N 0.27 3.30 0.11 1.79 1.43 -0.42 -4.94 118.68 120.22 2jdl s LEU 240 Ca -0.01 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 2jdl s LEU 240 Cb -0.03 -1.87 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 2jdl s LEU 240 CO -0.01 -0.01 1.74 -0.22 0.23 0.00 0.00 176.35 178.09 2jdl s LEU 241 N 1.44 4.38 0.24 1.79 2.96 -1.26 -1.94 118.68 126.29 2jdl s LEU 241 Ca 0.05 2.66 -0.30 0.00 -0.22 0.00 0.00 54.13 56.33 2jdl s LEU 241 Cb -0.15 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.88 2jdl s LEU 241 CO 0.02 -0.95 1.31 0.21 -1.32 0.00 0.00 176.35 175.62 2jdl s ASN 242 N 2.39 6.87 0.56 3.68 3.84 -1.26 -4.44 114.94 126.58 2jdl s ASN 242 Ca 0.77 2.48 0.24 0.00 0.21 0.00 0.00 52.86 56.57 2jdl s ASN 242 Cb -0.44 -2.62 1.54 0.00 -0.55 0.00 0.00 41.25 39.18 2jdl s ASN 242 CO 0.34 -0.52 2.16 0.08 -2.79 0.00 0.00 177.10 176.38 2jdl h ARG 243 N 4.77 0.00 -0.43 0.43 0.11 -1.92 -1.85 114.38 115.49 2jdl h ARG 243 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2jdl h ARG 243 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2jdl h ARG 243 CO 0.74 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.90 2jdl n ASN 244 N -4.15 2.42 0.30 0.08 5.03 -1.26 -4.13 115.26 113.55 2jdl n ASN 244 Ca -0.01 -1.97 0.17 0.00 0.87 0.00 0.00 54.58 53.65 2jdl n ASN 244 Cb 0.19 -0.28 0.95 0.00 -1.02 0.00 0.00 39.78 39.61 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 2.72 0.00 -4.21 6.41 -0.00 -1.51 -3.42 115.58 115.57 2jdl h ASN 245 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 56.06 2jdl h ASN 245 Cb 0.62 0.00 -0.26 0.00 -0.00 0.00 0.00 38.32 38.68 2jdl h ASN 245 CO 0.00 0.03 -0.72 0.00 -0.00 0.00 0.00 177.43 176.74 2jdl s MET 246 N -4.23 0.24 0.00 6.67 0.23 -1.26 -4.95 119.30 116.00 2jdl s MET 246 Ca -0.04 -0.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.33 2jdl s MET 246 Cb 0.13 -0.11 0.00 0.00 -1.53 0.00 0.00 34.83 33.32 2jdl s MET 246 CO 0.51 0.02 0.13 0.00 -2.03 0.00 0.00 175.02 173.65