#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 s SER 2 N 0.00 0.97 0.03 1.61 0.15 -1.26 -5.15 113.70 110.06 2dj0 s SER 2 Ca 0.00 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.56 2dj0 s SER 2 Cb 0.00 -0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 63.88 2dj0 s SER 2 CO 0.00 -0.09 -0.06 -0.94 1.20 0.00 0.00 173.24 173.35 2dj0 s SER 3 N 1.12 0.64 0.00 5.45 1.04 -1.26 -4.99 113.70 115.70 2dj0 s SER 3 Ca -0.08 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2dj0 s SER 3 Cb -0.14 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2dj0 s SER 3 CO -0.01 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2dj0 n GLY 4 N 1.51 1.62 3.83 7.32 0.00 -1.26 -5.09 105.19 113.12 2dj0 n GLY 4 Ca -0.23 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 2dj0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj0 s SER 5 N -4.00 6.63 0.41 1.61 0.15 -1.26 -5.08 113.70 112.17 2dj0 s SER 5 Ca 0.00 1.66 0.04 0.00 0.70 0.00 0.00 55.95 58.36 2dj0 s SER 5 Cb 0.00 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2dj0 s SER 5 CO 0.00 -0.58 0.16 -1.20 1.20 0.00 0.00 173.24 172.82 2dj0 n SER 6 N -1.25 1.10 -3.11 5.45 7.64 -1.26 -4.96 113.62 117.23 2dj0 n SER 6 Ca 0.07 -3.22 -0.31 0.00 1.01 0.00 0.00 58.87 56.42 2dj0 n SER 6 Cb 0.54 1.10 0.03 0.00 -1.01 0.00 0.00 64.21 64.87 2dj0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj0 n GLY 7 N -0.86 0.16 2.95 0.23 0.00 -1.26 -4.96 105.19 101.45 2dj0 n GLY 7 Ca -0.05 0.92 -0.27 0.00 0.00 0.00 0.00 46.02 46.62 2dj0 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dj0 s TYR 8 N -1.20 1.59 0.07 1.61 1.13 -1.26 -5.13 117.35 114.16 2dj0 s TYR 8 Ca 0.31 -0.77 0.09 0.00 -1.41 0.00 0.00 57.07 55.29 2dj0 s TYR 8 Cb -0.03 -1.25 -0.03 0.00 -1.10 0.00 0.00 41.96 39.54 2dj0 s TYR 8 CO 0.69 -0.48 -0.24 0.42 -2.51 0.00 0.00 175.55 173.42 2dj0 s ILE 9 N 1.41 1.99 -0.10 -3.49 1.01 -1.26 -4.87 121.20 115.89 2dj0 s ILE 9 Ca 0.00 -1.42 -0.24 0.00 0.00 0.00 0.00 60.65 58.99 2dj0 s ILE 9 Cb -0.13 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 2dj0 s ILE 9 CO -0.06 0.23 0.75 -0.54 0.00 0.00 0.00 174.94 175.32 2dj0 s LYS 10 N -1.44 4.39 -0.37 2.79 -0.14 -0.91 -4.93 119.74 119.12 2dj0 s LYS 10 Ca 0.10 0.93 -0.14 0.00 -1.36 0.00 0.00 55.97 55.50 2dj0 s LYS 10 Cb -0.10 -3.50 -0.00 0.00 -1.68 0.00 0.00 37.83 32.55 2dj0 s LYS 10 CO 0.03 -0.08 0.26 0.71 -0.76 0.00 0.00 175.35 175.51 2dj0 s TYR 11 N 1.28 3.23 -0.04 3.18 2.02 -1.26 -0.76 117.35 125.01 2dj0 s TYR 11 Ca 0.38 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.71 2dj0 s TYR 11 Cb -0.17 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 2dj0 s TYR 11 CO 0.16 -0.45 0.09 -0.06 -1.57 0.00 0.00 175.55 173.73 2dj0 s PHE 12 N 1.71 3.36 0.82 2.71 0.08 -1.08 -4.98 117.98 120.60 2dj0 s PHE 12 Ca 0.06 0.28 -0.07 0.00 0.12 0.00 0.00 56.93 57.32 2dj0 s PHE 12 Cb -0.18 -1.80 0.16 0.00 -0.57 0.00 0.00 43.02 40.64 2dj0 s PHE 12 CO 0.10 0.58 1.13 -0.80 -0.10 0.00 0.00 175.22 176.14 2dj0 s ASN 13 N -1.48 3.81 0.59 1.36 0.01 -1.26 -4.60 114.94 113.37 2dj0 s ASN 13 Ca 0.20 -0.15 0.39 0.00 -0.71 0.00 0.00 52.86 52.59 2dj0 s ASN 13 Cb -0.12 -0.07 1.94 0.00 0.41 0.00 0.00 41.25 43.41 2dj0 s ASN 13 CO 0.11 -2.24 2.18 -2.24 -1.51 0.00 0.00 177.10 173.39 2dj0 h ASP 14 N -0.99 0.00 0.00 -1.22 3.04 -1.99 -1.72 116.42 113.54 2dj0 h ASP 14 Ca -0.39 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 2dj0 h ASP 14 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2dj0 h ASP 14 CO 0.38 0.00 -0.33 1.17 -2.04 0.00 0.00 179.24 178.42 2dj0 n LYS 15 N -3.00 0.17 -0.40 4.15 3.00 -1.26 -4.57 118.16 116.25 2dj0 n LYS 15 Ca -0.01 0.07 0.32 0.00 -0.00 0.00 0.00 58.31 58.68 2dj0 n LYS 15 Cb 0.16 -0.76 0.61 0.00 0.00 0.00 0.00 35.03 35.03 2dj0 n LYS 15 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2dj0 h THR 16 N -0.33 0.28 -1.23 3.15 1.35 -1.95 0.45 112.91 114.63 2dj0 h THR 16 Ca 0.00 -0.07 0.43 0.00 -0.55 0.00 0.00 66.41 66.22 2dj0 h THR 16 Cb 0.33 0.08 -0.12 0.00 -1.73 0.00 0.00 68.15 66.70 2dj0 h THR 16 CO 0.00 0.03 0.79 0.00 -0.25 0.00 0.00 175.52 176.09 2dj0 n ILE 17 N -4.62 -0.22 -0.10 6.82 3.06 -0.65 -0.47 119.36 123.18 2dj0 n ILE 17 Ca 0.32 1.61 -0.18 0.00 -2.50 0.00 0.00 62.75 62.00 2dj0 n ILE 17 Cb 1.23 -2.63 -0.09 0.00 0.54 0.00 0.00 39.64 38.68 2dj0 n ILE 17 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 2dj0 h ASP 18 N 0.00 0.00 -1.04 9.51 3.04 -1.18 -3.30 116.42 123.44 2dj0 h ASP 18 Ca 0.78 -0.41 0.39 0.00 -3.24 0.00 0.00 57.03 54.56 2dj0 h ASP 18 Cb 2.53 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 40.68 2dj0 h ASP 18 CO -0.42 1.31 0.63 -1.84 -2.04 0.00 0.00 179.24 176.88 2dj0 n GLU 19 N -4.48 -0.04 0.15 4.15 0.28 0.38 -0.11 120.64 120.97 2dj0 n GLU 19 Ca -0.26 1.15 -0.07 0.00 -0.16 0.00 0.00 57.16 57.82 2dj0 n GLU 19 Cb 0.58 -2.17 -0.04 0.00 1.43 0.00 0.00 31.44 31.25 2dj0 n GLU 19 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2dj0 h GLU 20 N 0.00 -0.45 0.00 3.44 3.07 -1.44 -2.95 114.58 116.25 2dj0 h GLU 20 Ca 0.76 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 2dj0 h GLU 20 Cb 2.23 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 30.24 2dj0 h GLU 20 CO -0.54 -0.29 0.14 1.28 -1.40 0.00 0.00 179.01 178.20 2dj0 n LEU 21 N -5.09 0.35 0.10 1.33 4.77 0.64 0.64 117.00 119.74 2dj0 n LEU 21 Ca -0.06 0.60 -0.22 0.00 -0.03 0.00 0.00 56.01 56.30 2dj0 n LEU 21 Cb 0.19 -0.61 -0.15 0.00 -2.33 0.00 0.00 43.42 40.52 2dj0 n LEU 21 CO 0.14 -0.72 -0.38 -0.08 -1.33 0.00 0.00 177.39 175.02 2dj0 h GLU 22 N 0.00 0.42 0.00 3.23 4.81 -0.48 -3.10 114.58 119.47 2dj0 h GLU 22 Ca 0.00 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 2dj0 h GLU 22 Cb 0.29 0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2dj0 h GLU 22 CO 0.00 1.33 -1.03 2.89 -0.73 0.00 0.00 179.01 181.47 2dj0 n ARG 23 N -3.61 0.18 -0.73 1.92 1.85 0.23 -4.10 116.66 112.40 2dj0 n ARG 23 Ca -0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 57.85 56.61 2dj0 n ARG 23 Cb 1.08 -1.54 0.22 0.00 -1.05 0.00 0.00 32.46 31.17 2dj0 n ARG 23 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dj0 n ASP 24 N -1.76 3.16 0.01 2.89 8.00 0.21 -4.79 116.55 124.26 2dj0 n ASP 24 Ca 0.03 -3.48 -0.01 0.00 0.71 0.00 0.00 54.79 52.03 2dj0 n ASP 24 Cb 0.40 -0.63 -0.01 0.00 -0.02 0.00 0.00 41.12 40.86 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dj0 h LYS 25 N 1.34 -0.05 -0.72 -1.24 1.79 -1.69 0.17 116.57 116.16 2dj0 h LYS 25 Ca 0.18 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.87 2dj0 h LYS 25 Cb 1.72 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 32.35 2dj0 h LYS 25 CO 0.41 -0.04 0.96 0.07 -1.08 0.00 0.00 179.45 179.78 2dj0 h ARG 26 N -0.05 0.00 -5.84 3.15 0.11 -1.91 -2.34 114.38 107.50 2dj0 h ARG 26 Ca 0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 2dj0 h ARG 26 Cb 0.06 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.08 2dj0 h ARG 26 CO -0.02 0.00 -0.34 0.08 0.10 0.00 0.00 179.97 179.78 2dj0 s VAL 27 N -4.41 5.26 0.12 0.08 1.01 0.05 -4.84 120.40 117.66 2dj0 s VAL 27 Ca -0.03 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2dj0 s VAL 27 Cb 0.13 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 2dj0 s VAL 27 CO 0.43 0.57 0.99 -0.89 0.00 0.00 0.00 175.10 176.20 2dj0 s THR 28 N -1.09 4.37 -0.07 3.92 2.01 -1.26 -4.48 115.64 119.03 2dj0 s THR 28 Ca 0.21 1.97 0.01 0.00 0.31 0.00 0.00 61.69 64.19 2dj0 s THR 28 Cb -0.14 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.13 2dj0 s THR 28 CO 0.10 0.30 -0.10 0.26 -0.69 0.00 0.00 174.62 174.49 2dj0 s TRP 29 N -0.01 1.36 -0.34 4.92 0.52 -1.06 -3.92 118.94 120.42 2dj0 s TRP 29 Ca 0.48 -0.54 -0.01 0.00 0.02 0.00 0.00 56.10 56.04 2dj0 s TRP 29 Cb -0.25 -1.05 0.08 0.00 -1.15 0.00 0.00 33.47 31.10 2dj0 s TRP 29 CO 0.31 -0.32 0.07 -1.50 0.02 0.00 0.00 176.95 175.52 2dj0 s ILE 30 N 0.96 2.98 0.01 2.03 2.07 -1.18 -2.48 121.20 125.59 2dj0 s ILE 30 Ca -0.09 -1.73 -0.06 0.00 -1.41 0.00 0.00 60.65 57.37 2dj0 s ILE 30 Cb -0.15 -2.88 -0.05 0.00 0.13 0.00 0.00 42.46 39.52 2dj0 s ILE 30 CO 0.00 -0.35 0.26 -0.69 -1.91 0.00 0.00 174.94 172.24 2dj0 s VAL 31 N 1.17 5.32 -0.14 4.00 1.01 -1.23 -2.04 120.40 128.49 2dj0 s VAL 31 Ca 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2dj0 s VAL 31 Cb -0.21 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2dj0 s VAL 31 CO -0.03 0.34 -0.12 -0.70 0.00 0.00 0.00 175.10 174.59 2dj0 s GLU 32 N -1.85 3.42 -0.30 2.72 -6.30 -0.25 -3.13 118.70 113.01 2dj0 s GLU 32 Ca 0.28 -0.66 -0.09 0.00 -2.50 0.00 0.00 54.97 52.00 2dj0 s GLU 32 Cb -0.13 -2.68 -0.00 0.00 0.00 0.00 0.00 34.13 31.32 2dj0 s GLU 32 CO 0.17 0.20 0.12 -0.06 0.02 0.00 0.00 175.26 175.72 2dj0 s PHE 33 N 0.39 3.16 0.07 5.30 0.40 0.21 -2.39 117.98 125.12 2dj0 s PHE 33 Ca -0.10 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.58 2dj0 s PHE 33 Cb -0.16 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 2dj0 s PHE 33 CO 0.05 -0.48 -0.07 -0.59 0.70 0.00 0.00 175.22 174.83 2dj0 s PHE 34 N 1.58 0.77 0.01 0.36 -0.71 -1.25 -1.01 117.98 117.73 2dj0 s PHE 34 Ca 0.04 -0.78 0.04 0.00 -1.04 0.00 0.00 56.93 55.19 2dj0 s PHE 34 Cb -0.17 -0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 41.15 2dj0 s PHE 34 CO 0.05 -0.15 -0.10 0.00 -1.34 0.00 0.00 175.22 173.68 2dj0 s ALA 35 N -2.86 2.90 0.43 1.99 0.00 -1.26 -1.75 121.76 121.20 2dj0 s ALA 35 Ca 0.04 -1.05 0.13 0.00 0.00 0.00 0.00 51.96 51.08 2dj0 s ALA 35 Cb 0.00 -1.03 1.01 0.00 0.00 0.00 0.00 23.12 23.10 2dj0 s ALA 35 CO -0.03 0.60 1.98 -0.91 0.00 0.00 0.00 175.76 177.39 2dj0 h ASN 36 N 4.60 0.39 -0.52 0.00 2.35 -1.95 0.83 115.58 121.27 2dj0 h ASN 36 Ca -0.48 0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.05 2dj0 h ASN 36 Cb 1.16 -0.07 -0.13 0.00 0.05 0.00 0.00 38.32 39.33 2dj0 h ASN 36 CO 0.52 0.24 0.29 -2.67 -1.65 0.00 0.00 177.43 174.15 2dj0 n TRP 37 N -4.47 1.65 -3.53 1.19 4.27 -1.26 -4.60 117.44 110.68 2dj0 n TRP 37 Ca 0.10 -1.07 -0.31 0.00 -3.89 0.00 0.00 57.50 52.33 2dj0 n TRP 37 Cb 0.36 -0.58 -0.07 0.00 -1.36 0.00 0.00 31.31 29.66 2dj0 n TRP 37 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2dj0 n SER 38 N -0.25 4.06 -0.24 -0.67 2.88 0.28 -4.91 113.62 114.78 2dj0 n SER 38 Ca 0.30 -3.32 0.04 0.00 -1.33 0.00 0.00 58.87 54.56 2dj0 n SER 38 Cb 1.09 -0.86 0.16 0.00 -0.75 0.00 0.00 64.21 63.85 2dj0 n SER 38 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2dj0 h ASN 39 N 5.03 0.11 -1.48 -3.46 2.35 -1.83 0.59 115.58 116.90 2dj0 h ASN 39 Ca 0.18 0.12 0.46 0.00 -0.55 0.00 0.00 56.30 56.51 2dj0 h ASN 39 Cb 0.71 0.14 -0.11 0.00 0.05 0.00 0.00 38.32 39.11 2dj0 h ASN 39 CO 0.88 0.03 1.00 -2.24 -1.65 0.00 0.00 177.43 175.45 2dj0 h ASP 40 N 0.33 0.16 -0.77 5.81 3.04 -1.95 0.75 116.42 123.79 2dj0 h ASP 40 Ca 0.39 0.09 0.09 0.00 -3.24 0.00 0.00 57.03 54.35 2dj0 h ASP 40 Cb 0.61 0.08 -0.07 0.00 -1.04 0.00 0.00 39.33 38.91 2dj0 h ASP 40 CO -0.44 -0.12 0.42 0.00 -2.04 0.00 0.00 179.24 177.07 2dj0 h GLN 42 N 0.71 0.00 -0.44 0.00 3.07 0.38 1.14 115.11 119.98 2dj0 h GLN 42 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 59.01 2dj0 h GLN 42 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 2dj0 h GLN 42 CO -0.25 0.00 -0.10 1.03 0.09 0.00 0.00 178.83 179.60 2dj0 h SER 43 N 0.00 0.86 0.91 0.06 0.87 -1.28 -3.06 113.55 111.91 2dj0 h SER 43 Ca 0.64 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2dj0 h SER 43 Cb 2.92 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 64.65 2dj0 h SER 43 CO -0.01 1.02 -0.81 0.15 -0.53 0.00 0.00 176.83 176.65 2dj0 h PHE 44 N 0.68 0.00 -0.75 2.24 3.57 0.10 -3.39 116.94 119.39 2dj0 h PHE 44 Ca 0.11 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2dj0 h PHE 44 Cb 0.64 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.29 2dj0 h PHE 44 CO 0.05 0.00 -0.44 0.00 -2.23 0.00 0.00 178.31 175.69 2dj0 n ALA 45 N -1.99 -0.48 -0.00 2.41 0.00 0.85 -0.38 120.51 120.92 2dj0 n ALA 45 Ca 0.02 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 2dj0 n ALA 45 Cb 0.49 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 2dj0 n ALA 45 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dj0 h PRO 46 N 0.00 -0.03 -0.99 0.00 0.13 -1.76 -3.08 132.00 126.27 2dj0 h PRO 46 Ca 0.12 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.58 2dj0 h PRO 46 Cb 0.31 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.29 2dj0 h PRO 46 CO -0.70 0.44 0.52 0.82 -0.23 0.00 0.00 178.00 178.85 2dj0 h ILE 47 N -0.52 0.25 -0.41 -3.56 2.04 -1.43 0.67 117.51 114.56 2dj0 h ILE 47 Ca -0.00 -0.09 -0.15 0.00 1.00 0.00 0.00 64.86 65.62 2dj0 h ILE 47 Cb 0.49 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2dj0 h ILE 47 CO 0.01 0.05 -0.33 0.22 0.00 0.00 0.00 178.15 178.10 2dj0 h TYR 48 N 0.26 1.09 -0.46 1.37 3.20 -0.71 -2.04 116.97 119.69 2dj0 h TYR 48 Ca 0.73 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 62.30 2dj0 h TYR 48 Cb 1.69 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 2dj0 h TYR 48 CO -0.04 1.12 0.28 0.00 -1.64 0.00 0.00 178.16 177.88 2dj0 h ALA 49 N 0.84 0.58 -0.22 1.82 0.00 0.39 0.25 119.26 122.92 2dj0 h ALA 49 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2dj0 h ALA 49 Cb 0.91 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2dj0 h ALA 49 CO 0.08 0.06 0.02 -0.44 0.00 0.00 0.00 179.25 178.97 2dj0 h ASP 50 N 0.61 0.37 -0.59 0.00 5.19 -1.17 -1.76 116.42 119.07 2dj0 h ASP 50 Ca 0.16 -0.29 0.01 0.00 -0.62 0.00 0.00 57.03 56.30 2dj0 h ASP 50 Cb -0.03 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 2dj0 h ASP 50 CO -0.03 0.57 0.38 -0.07 -3.12 0.00 0.00 179.24 176.96 2dj0 h LEU 51 N 0.16 0.65 0.34 1.55 3.38 -1.19 -2.17 115.31 118.03 2dj0 h LEU 51 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2dj0 h LEU 51 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2dj0 h LEU 51 CO 0.01 0.46 -0.16 0.77 0.09 0.00 0.00 178.44 179.61 2dj0 h SER 52 N 0.77 -0.38 -1.44 -0.43 4.64 -0.87 -1.86 113.55 113.97 2dj0 h SER 52 Ca 0.22 0.01 0.45 0.00 -0.47 0.00 0.00 61.79 62.01 2dj0 h SER 52 Cb -0.06 0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 62.02 2dj0 h SER 52 CO -0.06 -0.26 0.97 -0.07 -0.87 0.00 0.00 176.83 176.54 2dj0 h LEU 53 N -0.49 0.18 0.27 5.97 3.38 -1.34 1.52 115.31 124.80 2dj0 h LEU 53 Ca -0.05 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2dj0 h LEU 53 Cb 0.35 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dj0 h LEU 53 CO 0.08 -0.13 -0.13 0.11 0.09 0.00 0.00 178.44 178.46 2dj0 h LYS 54 N 0.07 -0.35 -0.63 1.13 1.57 -1.17 -3.13 116.57 114.06 2dj0 h LYS 54 Ca 0.82 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.63 2dj0 h LYS 54 Cb 2.78 0.08 0.00 0.00 0.08 0.00 0.00 32.23 35.17 2dj0 h LYS 54 CO -0.31 -0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.23 2dj0 n TYR 55 N -5.08 1.01 -3.40 -1.35 4.01 1.00 -4.69 117.16 108.65 2dj0 n TYR 55 Ca -0.09 -0.39 -0.44 0.00 -0.16 0.00 0.00 57.90 56.82 2dj0 n TYR 55 Cb 0.26 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 2dj0 n TYR 55 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2dj0 s ASN 56 N -0.68 6.71 -0.30 7.72 0.01 0.48 -3.18 114.94 125.70 2dj0 s ASN 56 Ca 0.32 -3.10 -0.08 0.00 -0.71 0.00 0.00 52.86 49.29 2dj0 s ASN 56 Cb 0.22 -2.14 0.18 0.00 0.41 0.00 0.00 41.25 39.91 2dj0 s ASN 56 CO 0.14 -0.42 0.93 0.00 -1.51 0.00 0.00 177.10 176.24 2dj0 n THR 58 N 5.34 -1.15 0.00 0.00 -1.04 -1.26 -4.52 114.28 111.65 2dj0 n THR 58 Ca 0.01 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 2dj0 n THR 58 Cb 0.55 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dj0 n GLY 59 N -1.92 -1.39 3.76 3.41 0.00 -1.26 -4.94 105.19 102.86 2dj0 n GLY 59 Ca -0.16 0.69 -0.39 0.00 0.00 0.00 0.00 46.02 46.17 2dj0 n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dj0 s LEU 60 N 0.00 4.43 -0.05 0.99 2.96 -1.19 -4.73 118.68 121.09 2dj0 s LEU 60 Ca 0.00 1.26 0.06 0.00 -0.22 0.00 0.00 54.13 55.23 2dj0 s LEU 60 Cb 0.00 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.65 2dj0 s LEU 60 CO 0.00 0.08 -0.22 0.20 -1.32 0.00 0.00 176.35 175.09 2dj0 s ASN 61 N -0.19 3.36 -0.19 3.68 0.01 -1.25 -3.86 114.94 116.50 2dj0 s ASN 61 Ca 0.33 -0.41 -0.08 0.00 -0.71 0.00 0.00 52.86 51.99 2dj0 s ASN 61 Cb -0.19 -0.75 -0.04 0.00 0.41 0.00 0.00 41.25 40.67 2dj0 s ASN 61 CO 0.19 0.28 0.08 -0.36 -1.51 0.00 0.00 177.10 175.79 2dj0 s PHE 62 N -0.39 3.30 0.16 2.20 0.40 -1.26 -3.10 117.98 119.29 2dj0 s PHE 62 Ca 0.03 0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.59 2dj0 s PHE 62 Cb -0.12 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 2dj0 s PHE 62 CO 0.02 0.20 -0.16 0.20 0.70 0.00 0.00 175.22 176.18 2dj0 s GLY 63 N 0.35 1.31 0.04 4.36 0.00 -0.87 -2.14 107.32 110.37 2dj0 s GLY 63 Ca 0.05 -1.48 0.03 0.00 0.00 0.00 0.00 44.72 43.32 2dj0 s GLY 63 CO -0.01 -1.54 -0.09 0.54 0.00 0.00 0.00 173.10 172.00 2dj0 s LYS 64 N -2.97 0.61 -0.20 2.90 1.02 0.06 -1.09 119.74 120.07 2dj0 s LYS 64 Ca 0.15 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.40 2dj0 s LYS 64 Cb -0.04 -0.48 0.09 0.00 -0.52 0.00 0.00 37.83 36.88 2dj0 s LYS 64 CO 0.06 0.11 0.41 0.54 -0.92 0.00 0.00 175.35 175.54 2dj0 s VAL 65 N -1.06 -0.64 0.15 3.17 0.11 -1.01 -2.63 120.40 118.50 2dj0 s VAL 65 Ca -0.05 0.15 -0.31 0.00 -2.93 0.00 0.00 61.98 58.84 2dj0 s VAL 65 Cb -0.08 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 2dj0 s VAL 65 CO 0.01 0.05 1.44 -0.62 -3.33 0.00 0.00 175.10 172.65 2dj0 s ASP 66 N 2.60 6.75 -0.15 3.54 2.15 -1.26 -3.83 116.67 126.47 2dj0 s ASP 66 Ca 0.00 2.45 -0.04 0.00 0.43 0.00 0.00 52.55 55.39 2dj0 s ASP 66 Cb -0.12 -2.59 -0.08 0.00 -0.30 0.00 0.00 42.92 39.83 2dj0 s ASP 66 CO -0.13 -0.70 -0.16 1.33 -0.17 0.00 0.00 175.17 175.34 2dj0 n VAL 67 N 3.70 0.81 0.14 1.11 0.24 -0.72 -3.75 118.33 119.87 2dj0 n VAL 67 Ca 0.11 -0.26 0.13 0.00 -2.04 0.00 0.00 64.34 62.29 2dj0 n VAL 67 Cb 0.41 -1.38 0.36 0.00 -1.47 0.00 0.00 33.84 31.76 2dj0 n VAL 67 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2dj0 h GLY 68 N 0.21 0.00 0.00 7.63 0.00 -1.91 0.20 103.07 109.19 2dj0 h GLY 68 Ca -0.35 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.76 2dj0 h GLY 68 CO -0.15 0.00 -1.84 -2.13 0.00 0.00 0.00 176.54 172.42 2dj0 n ARG 69 N -2.93 1.00 -3.05 4.80 3.00 -1.26 -4.82 116.66 113.40 2dj0 n ARG 69 Ca 0.08 0.05 -0.45 0.00 -0.00 0.00 0.00 57.85 57.53 2dj0 n ARG 69 Cb 1.02 -1.30 -0.02 0.00 0.00 0.00 0.00 32.46 32.16 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2dj0 s TYR 70 N -2.30 3.47 -0.80 -0.14 1.51 0.69 -4.83 117.35 114.94 2dj0 s TYR 70 Ca -0.15 -1.83 0.09 0.00 -1.01 0.00 0.00 57.07 54.16 2dj0 s TYR 70 Cb 0.05 -4.15 0.42 0.00 -0.11 0.00 0.00 41.96 38.16 2dj0 s TYR 70 CO 0.40 -1.31 1.27 -2.37 -1.11 0.00 0.00 175.55 172.43 2dj0 n THR 71 N 4.68 1.55 -0.03 -0.71 5.66 -1.25 -2.14 114.28 122.04 2dj0 n THR 71 Ca 0.25 0.48 -0.14 0.00 -3.05 0.00 0.00 64.05 61.59 2dj0 n THR 71 Cb 0.46 -1.43 -0.10 0.00 -1.55 0.00 0.00 70.33 67.71 2dj0 n THR 71 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2dj0 h ASP 72 N 0.00 0.24 0.45 1.09 1.82 -1.89 -3.12 116.42 115.02 2dj0 h ASP 72 Ca 0.00 -0.65 -0.02 0.00 -0.39 0.00 0.00 57.03 55.97 2dj0 h ASP 72 Cb 0.07 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2dj0 h ASP 72 CO 0.00 0.85 -0.22 0.58 -1.61 0.00 0.00 179.24 178.84 2dj0 h VAL 73 N -0.35 0.00 -0.21 2.25 2.07 -1.76 -2.43 116.25 115.82 2dj0 h VAL 73 Ca -0.01 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2dj0 h VAL 73 Cb 0.84 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2dj0 h VAL 73 CO 0.04 0.00 -0.13 -1.54 0.02 0.00 0.00 177.57 175.96 2dj0 n SER 74 N -4.22 -0.23 -0.32 0.57 3.41 -1.19 0.10 113.62 111.75 2dj0 n SER 74 Ca -0.08 1.07 0.22 0.00 -0.26 0.00 0.00 58.87 59.82 2dj0 n SER 74 Cb 0.24 -0.39 0.50 0.00 -0.26 0.00 0.00 64.21 64.30 2dj0 n SER 74 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2dj0 h THR 75 N 0.00 0.54 -0.35 6.66 2.02 -1.66 1.08 112.91 121.20 2dj0 h THR 75 Ca 0.03 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2dj0 h THR 75 Cb 0.09 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2dj0 h THR 75 CO -0.20 0.07 0.10 -0.09 0.37 0.00 0.00 175.52 175.77 2dj0 h ARG 76 N 0.41 0.55 -0.17 6.66 2.43 0.12 -2.66 114.38 121.72 2dj0 h ARG 76 Ca 0.59 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2dj0 h ARG 76 Cb 1.46 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 2dj0 h ARG 76 CO -0.30 0.59 0.00 0.66 -1.51 0.00 0.00 179.97 179.41 2dj0 n TYR 77 N -4.63 0.21 -3.40 2.20 4.02 0.55 -4.94 117.16 111.17 2dj0 n TYR 77 Ca -0.01 -0.10 -0.18 0.00 -0.01 0.00 0.00 57.90 57.59 2dj0 n TYR 77 Cb 0.18 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.58 2dj0 n TYR 77 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2dj0 n LYS 78 N 0.57 -6.60 -3.62 -0.72 4.01 0.35 -4.98 118.16 107.18 2dj0 n LYS 78 Ca 0.17 0.79 -0.40 0.00 -0.51 0.00 0.00 58.31 58.36 2dj0 n LYS 78 Cb 0.40 -5.66 -0.09 0.00 -0.51 0.00 0.00 35.03 29.17 2dj0 n LYS 78 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2dj0 s VAL 79 N -3.33 3.97 -0.42 -0.18 1.01 -0.07 -4.97 120.40 116.40 2dj0 s VAL 79 Ca 0.17 -1.82 -0.32 0.00 0.00 0.00 0.00 61.98 60.02 2dj0 s VAL 79 Cb -0.07 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 2dj0 s VAL 79 CO 0.68 -0.72 2.30 -1.20 0.00 0.00 0.00 175.10 176.16 2dj0 n SER 80 N 4.83 2.16 -1.71 3.32 7.64 -1.26 -4.53 113.62 124.06 2dj0 n SER 80 Ca -0.07 0.16 -0.08 0.00 1.01 0.00 0.00 58.87 59.90 2dj0 n SER 80 Cb 0.41 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2dj0 n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dj0 n THR 81 N 7.49 2.40 -4.31 0.44 -2.24 -1.26 -4.73 114.28 112.07 2dj0 n THR 81 Ca 0.41 -1.08 -0.28 0.00 -2.27 0.00 0.00 64.05 60.83 2dj0 n THR 81 Cb 0.31 -1.46 -0.11 0.00 -2.10 0.00 0.00 70.33 66.97 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dj0 s SER 82 N 1.23 3.95 0.00 3.42 1.04 -1.26 -4.94 113.70 117.14 2dj0 s SER 82 Ca 0.17 -0.60 0.15 0.00 0.48 0.00 0.00 55.95 56.15 2dj0 s SER 82 Cb 0.12 -0.57 0.87 0.00 0.10 0.00 0.00 66.02 66.55 2dj0 s SER 82 CO -0.01 0.15 1.36 -0.81 0.98 0.00 0.00 173.24 174.91 2dj0 n PRO 83 N 0.49 0.40 -2.06 4.02 -0.04 -1.26 -3.41 135.00 133.14 2dj0 n PRO 83 Ca -0.14 0.05 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 2dj0 n PRO 83 Cb 0.54 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2dj0 n PRO 83 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dj0 n LEU 84 N -1.09 6.95 -3.71 1.53 7.99 -1.26 -4.96 117.00 122.46 2dj0 n LEU 84 Ca 0.10 -4.94 -0.02 0.00 -0.01 0.00 0.00 56.01 51.14 2dj0 n LEU 84 Cb 0.07 -0.95 -0.01 0.00 -0.11 0.00 0.00 43.42 42.42 2dj0 n LEU 84 CO 0.10 1.87 0.81 0.28 -1.51 0.00 0.00 177.39 178.94 2dj0 s THR 85 N -5.14 0.00 -0.39 -5.08 -1.32 -1.22 -5.06 115.64 97.43 2dj0 s THR 85 Ca 0.51 -0.52 0.05 0.00 -1.21 0.00 0.00 61.69 60.52 2dj0 s THR 85 Cb 0.42 -1.95 0.45 0.00 -1.51 0.00 0.00 72.50 69.91 2dj0 s THR 85 CO -0.36 0.00 1.32 0.29 -2.21 0.00 0.00 174.62 173.66 2dj0 n LYS 86 N -0.47 3.43 -0.86 7.08 5.02 -1.26 -4.69 118.16 126.41 2dj0 n LYS 86 Ca -0.07 -4.10 -0.06 0.00 -2.02 0.00 0.00 58.31 52.07 2dj0 n LYS 86 Cb 0.61 -2.27 0.23 0.00 -0.02 0.00 0.00 35.03 33.58 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dj0 n GLN 87 N -0.69 2.54 -3.61 1.97 6.02 -1.26 -4.64 117.38 117.71 2dj0 n GLN 87 Ca 0.46 -3.07 -0.04 0.00 -0.01 0.00 0.00 57.00 54.34 2dj0 n GLN 87 Cb 0.84 -1.98 -0.06 0.00 1.02 0.00 0.00 30.24 30.06 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dj0 s LEU 88 N -3.12 -0.93 1.26 1.08 1.43 -1.26 -4.14 118.68 112.99 2dj0 s LEU 88 Ca 0.49 1.23 -0.21 0.00 -1.03 0.00 0.00 54.13 54.61 2dj0 s LEU 88 Cb 0.41 1.85 0.31 0.00 0.03 0.00 0.00 46.19 48.80 2dj0 s LEU 88 CO 0.07 -0.23 1.11 -2.16 0.23 0.00 0.00 176.35 175.37 2dj0 s PRO 89 N 2.76 -1.66 -0.17 1.29 0.04 -1.26 -4.91 135.00 131.10 2dj0 s PRO 89 Ca -0.02 -0.22 -0.14 0.00 0.04 0.00 0.00 61.00 60.66 2dj0 s PRO 89 Cb -0.12 -1.56 0.05 0.00 0.04 0.00 0.00 34.50 32.90 2dj0 s PRO 89 CO -0.16 -3.97 0.44 0.99 0.04 0.00 0.00 177.00 174.34 2dj0 s THR 90 N -3.02 -0.00 -0.07 1.26 2.01 -0.18 -4.80 115.64 110.85 2dj0 s THR 90 Ca 0.72 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.80 2dj0 s THR 90 Cb -0.07 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 2dj0 s THR 90 CO 0.56 0.01 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.49 2dj0 s LEU 91 N 0.49 2.10 -0.07 4.42 1.43 -0.97 -0.62 118.68 125.46 2dj0 s LEU 91 Ca -0.02 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2dj0 s LEU 91 Cb -0.04 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.81 2dj0 s LEU 91 CO -0.02 0.23 -0.08 -0.63 0.23 0.00 0.00 176.35 176.07 2dj0 s ILE 92 N -0.05 0.88 -0.35 -0.59 1.01 -1.18 -1.09 121.20 119.82 2dj0 s ILE 92 Ca -0.07 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 2dj0 s ILE 92 Cb -0.15 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 2dj0 s ILE 92 CO 0.05 0.31 0.44 -0.22 0.00 0.00 0.00 174.94 175.52 2dj0 s LEU 93 N 1.04 4.40 -0.30 2.97 2.96 -0.54 -3.50 118.68 125.71 2dj0 s LEU 93 Ca -0.08 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 2dj0 s LEU 93 Cb -0.14 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.08 2dj0 s LEU 93 CO -0.00 -0.42 0.09 -0.36 -1.32 0.00 0.00 176.35 174.34 2dj0 s PHE 94 N 2.22 3.16 -0.33 5.38 0.08 -1.03 -1.57 117.98 125.89 2dj0 s PHE 94 Ca 0.15 -0.95 0.04 0.00 0.12 0.00 0.00 56.93 56.29 2dj0 s PHE 94 Cb -0.16 -2.27 0.09 0.00 -0.57 0.00 0.00 43.02 40.11 2dj0 s PHE 94 CO 0.13 -0.57 0.02 -0.65 -0.10 0.00 0.00 175.22 174.05 2dj0 s GLN 95 N 1.51 1.60 0.00 0.44 1.11 -0.97 -2.56 119.66 120.79 2dj0 s GLN 95 Ca 0.03 -1.79 0.00 0.00 0.01 0.00 0.00 55.36 53.60 2dj0 s GLN 95 Cb -0.17 -3.15 0.00 0.00 -1.01 0.00 0.00 33.01 28.67 2dj0 s GLN 95 CO 0.03 -0.88 0.00 0.41 0.01 0.00 0.00 175.29 174.86 2dj0 n GLY 96 N 4.28 0.67 2.17 3.09 0.00 -0.88 -3.81 105.19 110.71 2dj0 n GLY 96 Ca 0.01 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 2dj0 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dj0 n GLY 97 N -1.14 0.12 2.95 -0.02 0.00 -1.26 -4.91 105.19 100.93 2dj0 n GLY 97 Ca 0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 2dj0 n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dj0 s LYS 98 N -4.25 0.31 -0.86 1.61 1.02 -1.25 -5.08 119.74 111.23 2dj0 s LYS 98 Ca 0.00 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 55.49 2dj0 s LYS 98 Cb 0.00 -0.24 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 2dj0 s LYS 98 CO 0.00 0.06 1.78 -2.00 -0.92 0.00 0.00 175.35 174.27 2dj0 s GLU 99 N -0.42 2.84 0.10 1.68 2.12 -1.26 -2.28 118.70 121.48 2dj0 s GLU 99 Ca -0.02 -0.31 -0.16 0.00 0.36 0.00 0.00 54.97 54.85 2dj0 s GLU 99 Cb -0.03 -4.94 -0.08 0.00 0.26 0.00 0.00 34.13 29.34 2dj0 s GLU 99 CO -0.00 -2.92 1.45 0.00 -0.54 0.00 0.00 175.26 173.25 2dj0 h ALA 100 N 11.53 0.42 -2.41 6.30 0.00 -1.63 -3.48 119.26 129.99 2dj0 h ALA 100 Ca 0.03 -0.35 0.17 0.00 0.00 0.00 0.00 54.91 54.76 2dj0 h ALA 100 Cb 1.04 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2dj0 h ALA 100 CO 1.26 0.34 0.48 0.00 0.00 0.00 0.00 179.25 181.34 2dj0 s MET 101 N -4.54 1.27 -0.28 0.00 0.00 -1.20 -5.02 119.30 109.52 2dj0 s MET 101 Ca -0.13 -0.72 -0.20 0.00 0.00 0.00 0.00 55.69 54.64 2dj0 s MET 101 Cb 0.08 0.42 0.10 0.00 0.00 0.00 0.00 34.83 35.43 2dj0 s MET 101 CO 0.81 -0.58 0.81 -0.98 0.00 0.00 0.00 175.02 175.07 2dj0 s ARG 102 N -3.12 0.66 -0.05 3.16 1.70 -1.26 -1.47 118.95 118.55 2dj0 s ARG 102 Ca 0.14 0.95 0.05 0.00 -0.47 0.00 0.00 55.73 56.40 2dj0 s ARG 102 Cb -0.02 0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 2dj0 s ARG 102 CO 0.03 -0.11 -0.19 1.03 -1.08 0.00 0.00 175.30 174.99 2dj0 s ARG 103 N 0.97 2.53 0.95 3.89 3.00 -0.25 -3.20 118.95 126.83 2dj0 s ARG 103 Ca -0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 55.73 54.78 2dj0 s ARG 103 Cb -0.05 -2.29 0.16 0.00 0.00 0.00 0.00 34.95 32.77 2dj0 s ARG 103 CO -0.10 0.51 1.09 -1.25 0.00 0.00 0.00 175.30 175.55 2dj0 s PRO 104 N -0.46 0.86 0.27 3.54 0.04 -1.26 -2.28 135.00 135.70 2dj0 s PRO 104 Ca 0.05 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 2dj0 s PRO 104 Cb -0.12 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 2dj0 s PRO 104 CO 0.01 -2.48 0.96 1.14 0.04 0.00 0.00 177.00 176.67 2dj0 s GLN 105 N -4.95 4.76 -0.02 4.56 1.03 -1.20 -4.82 119.66 119.03 2dj0 s GLN 105 Ca 0.64 1.47 -0.15 0.00 0.04 0.00 0.00 55.36 57.37 2dj0 s GLN 105 Cb -0.18 -3.13 -0.05 0.00 0.03 0.00 0.00 33.01 29.67 2dj0 s GLN 105 CO 0.57 0.42 0.40 0.42 -2.54 0.00 0.00 175.29 174.56 2dj0 s ILE 106 N -1.30 5.06 0.68 3.63 -1.09 -1.26 -2.00 121.20 124.92 2dj0 s ILE 106 Ca 0.44 0.81 -0.00 0.00 -2.23 0.00 0.00 60.65 59.67 2dj0 s ILE 106 Cb -0.24 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.03 2dj0 s ILE 106 CO 0.30 0.56 0.94 -0.62 -1.23 0.00 0.00 174.94 174.89 2dj0 s ASP 107 N -0.94 4.61 0.30 3.58 2.15 -0.35 -4.87 116.67 121.16 2dj0 s ASP 107 Ca 0.23 -0.24 0.02 0.00 0.43 0.00 0.00 52.55 53.00 2dj0 s ASP 107 Cb -0.16 -0.28 0.59 0.00 -0.30 0.00 0.00 42.92 42.77 2dj0 s ASP 107 CO 0.13 -1.67 1.86 0.50 -0.17 0.00 0.00 175.17 175.82 2dj0 h LYS 108 N -0.38 0.93 -0.96 4.34 1.63 -1.99 0.12 116.57 120.26 2dj0 h LYS 108 Ca -0.38 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.30 2dj0 h LYS 108 Cb 1.28 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 32.66 2dj0 h LYS 108 CO 0.44 0.61 0.08 1.63 -3.45 0.00 0.00 179.45 178.76 2dj0 n LYS 109 N -4.57 1.50 -3.89 1.90 5.02 -1.26 -4.85 118.16 112.02 2dj0 n LYS 109 Ca 0.17 -0.64 -0.24 0.00 -2.02 0.00 0.00 58.31 55.58 2dj0 n LYS 109 Cb 0.33 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 2dj0 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dj0 n GLY 110 N 0.15 -0.25 3.42 0.72 0.00 0.40 -4.97 105.19 104.65 2dj0 n GLY 110 Ca 0.09 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2dj0 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dj0 s ARG 111 N -6.40 2.64 -0.35 1.61 0.52 -1.25 -4.84 118.95 110.88 2dj0 s ARG 111 Ca 0.03 -0.74 -0.27 0.00 -0.52 0.00 0.00 55.73 54.24 2dj0 s ARG 111 Cb -0.02 -2.37 0.01 0.00 0.52 0.00 0.00 34.95 33.10 2dj0 s ARG 111 CO 0.87 0.51 0.96 0.00 0.02 0.00 0.00 175.30 177.66 2dj0 s ALA 112 N -0.45 3.44 0.18 2.13 0.00 -1.26 -1.21 121.76 124.59 2dj0 s ALA 112 Ca 0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 2dj0 s ALA 112 Cb -0.12 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 2dj0 s ALA 112 CO 0.02 -1.54 1.23 0.08 0.00 0.00 0.00 175.76 175.55 2dj0 s VAL 113 N 3.49 3.51 -0.66 0.00 1.01 -0.84 -4.86 120.40 122.05 2dj0 s VAL 113 Ca 0.40 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 63.37 2dj0 s VAL 113 Cb -0.12 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 2dj0 s VAL 113 CO 0.17 0.19 2.42 -0.24 0.00 0.00 0.00 175.10 177.64 2dj0 n SER 114 N 2.68 1.88 -4.61 3.32 2.88 -1.26 -4.51 113.62 114.00 2dj0 n SER 114 Ca 0.05 -0.90 -0.33 0.00 -1.33 0.00 0.00 58.87 56.37 2dj0 n SER 114 Cb 0.44 -1.55 -0.10 0.00 -0.75 0.00 0.00 64.21 62.25 2dj0 n SER 114 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2dj0 s TRP 115 N 12.79 2.93 0.03 0.66 -0.00 -1.26 -5.10 118.94 128.99 2dj0 s TRP 115 Ca 0.99 -0.00 -0.21 0.00 -0.00 0.00 0.00 56.10 56.87 2dj0 s TRP 115 Cb -0.23 -1.64 -0.06 0.00 -0.00 0.00 0.00 33.47 31.54 2dj0 s TRP 115 CO 0.21 0.38 0.63 0.99 -0.00 0.00 0.00 176.95 179.15 2dj0 s THR 116 N -0.97 4.81 -0.87 5.86 2.01 -1.26 -4.95 115.64 120.27 2dj0 s THR 116 Ca 0.16 1.33 -0.11 0.00 0.31 0.00 0.00 61.69 63.38 2dj0 s THR 116 Cb -0.11 -3.97 0.23 0.00 0.01 0.00 0.00 72.50 68.66 2dj0 s THR 116 CO 0.06 0.44 0.81 -0.36 -0.69 0.00 0.00 174.62 174.89 2dj0 s PHE 117 N -0.41 3.85 0.29 4.92 0.40 -1.26 -4.82 117.98 120.94 2dj0 s PHE 117 Ca 0.32 -2.31 0.02 0.00 -0.60 0.00 0.00 56.93 54.36 2dj0 s PHE 117 Cb -0.19 -3.71 0.02 0.00 0.51 0.00 0.00 43.02 39.65 2dj0 s PHE 117 CO 0.19 -0.95 0.16 -1.13 0.70 0.00 0.00 175.22 174.20 2dj0 n SER 118 N 3.51 2.13 0.09 1.36 3.41 -1.26 -4.98 113.62 117.88 2dj0 n SER 118 Ca 0.16 -2.05 -0.01 0.00 -0.26 0.00 0.00 58.87 56.70 2dj0 n SER 118 Cb 0.43 0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 2dj0 n SER 118 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dj0 h GLU 119 N 0.00 0.00 0.00 4.33 4.81 -1.96 -3.33 114.58 118.43 2dj0 h GLU 119 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2dj0 h GLU 119 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2dj0 h GLU 119 CO 0.31 0.58 -0.55 -1.91 -0.73 0.00 0.00 179.01 176.71 2dj0 n GLU 120 N -3.18 0.40 -0.40 1.92 2.13 -1.26 -3.69 120.64 116.57 2dj0 n GLU 120 Ca -0.02 0.39 0.33 0.00 0.66 0.00 0.00 57.16 58.52 2dj0 n GLU 120 Cb 0.83 -1.47 0.54 0.00 0.27 0.00 0.00 31.44 31.61 2dj0 n GLU 120 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dj0 n ASN 121 N -4.23 0.14 0.02 4.31 4.13 -1.26 -0.40 115.26 117.97 2dj0 n ASN 121 Ca -0.08 1.03 -0.01 0.00 1.68 0.00 0.00 54.58 57.20 2dj0 n ASN 121 Cb 0.29 -0.50 -0.01 0.00 -1.54 0.00 0.00 39.78 38.02 2dj0 n ASN 121 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2dj0 h VAL 122 N 0.00 0.00 -0.53 2.41 2.07 -1.75 -2.27 116.25 116.18 2dj0 h VAL 122 Ca 0.69 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 68.22 2dj0 h VAL 122 Cb 2.32 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2dj0 h VAL 122 CO -0.30 0.00 0.76 0.40 0.02 0.00 0.00 177.57 178.45 2dj0 h ILE 123 N -0.22 0.14 0.06 4.57 2.04 -1.01 0.29 117.51 123.38 2dj0 h ILE 123 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2dj0 h ILE 123 Cb 0.06 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2dj0 h ILE 123 CO 0.01 0.00 -0.03 -0.09 0.00 0.00 0.00 178.15 178.04 2dj0 h ARG 124 N 0.00 -0.07 0.66 2.37 9.65 -0.78 -2.32 114.38 123.88 2dj0 h ARG 124 Ca 0.25 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.10 2dj0 h ARG 124 Cb 1.77 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 30.37 2dj0 h ARG 124 CO -0.00 -0.05 -0.32 0.93 2.80 0.00 0.00 179.97 183.33 2dj0 h GLU 125 N -0.67 -0.85 0.00 0.20 4.39 -0.66 -2.34 114.58 114.66 2dj0 h GLU 125 Ca -0.01 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2dj0 h GLU 125 Cb 0.06 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2dj0 h GLU 125 CO 0.01 -0.54 0.00 0.74 -1.16 0.00 0.00 179.01 178.06 2dj0 h PHE 126 N -0.96 0.00 -6.85 4.33 -1.00 -0.69 -3.45 116.94 108.31 2dj0 h PHE 126 Ca -0.09 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.12 2dj0 h PHE 126 Cb 0.70 0.00 -0.22 0.00 3.61 0.00 0.00 35.95 40.04 2dj0 h PHE 126 CO -0.02 0.00 -0.88 0.09 -1.61 0.00 0.00 178.31 175.89 2dj0 n ASN 127 N -2.37 -1.71 -0.30 2.17 4.13 -0.88 -4.80 115.26 111.50 2dj0 n ASN 127 Ca -0.00 -1.11 0.10 0.00 1.68 0.00 0.00 54.58 55.25 2dj0 n ASN 127 Cb 0.11 -2.38 0.27 0.00 -1.54 0.00 0.00 39.78 36.24 2dj0 n ASN 127 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2dj0 h LEU 128 N -1.48 0.45 -0.92 3.41 3.38 -1.81 -0.20 115.31 118.14 2dj0 h LEU 128 Ca -0.61 0.12 0.26 0.00 0.09 0.00 0.00 57.88 57.74 2dj0 h LEU 128 Cb 1.39 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 42.05 2dj0 h LEU 128 CO 0.76 0.12 0.27 0.78 0.09 0.00 0.00 178.44 180.47 2dj0 h ASN 129 N 0.53 0.03 0.13 -0.43 2.35 -1.87 0.82 115.58 117.13 2dj0 h ASN 129 Ca 0.51 0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 56.47 2dj0 h ASN 129 Cb 0.85 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2dj0 h ASN 129 CO -0.44 -0.20 -0.06 -0.33 -1.65 0.00 0.00 177.43 174.75 2dj0 h GLU 130 N 0.18 -0.17 -0.07 0.81 4.39 -1.39 -3.32 114.58 115.02 2dj0 h GLU 130 Ca 0.60 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.34 2dj0 h GLU 130 Cb 1.28 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.91 2dj0 h GLU 130 CO -0.69 0.25 -0.54 -0.07 -1.16 0.00 0.00 179.01 176.80 2dj0 h LEU 131 N -0.66 -1.70-10.68 1.33 3.38 -0.86 -3.43 115.31 102.69 2dj0 h LEU 131 Ca -0.02 0.20 -0.44 0.00 0.09 0.00 0.00 57.88 57.70 2dj0 h LEU 131 Cb 0.50 0.66 0.16 0.00 0.09 0.00 0.00 40.66 42.06 2dj0 h LEU 131 CO 0.03 -0.51 0.35 -0.55 0.09 0.00 0.00 178.44 177.85 2dj0 s SER 132 N -4.80 2.89 0.41 -0.43 0.15 0.11 -4.91 113.70 107.12 2dj0 s SER 132 Ca -0.16 0.48 -0.24 0.00 0.70 0.00 0.00 55.95 56.74 2dj0 s SER 132 Cb 0.07 -0.68 -0.09 0.00 -1.71 0.00 0.00 66.02 63.61 2dj0 s SER 132 CO 0.61 -2.89 1.06 -0.83 1.20 0.00 0.00 173.24 172.39 2dj0 s GLY 133 N -4.56 2.72 0.00 9.45 0.00 -1.26 -4.83 107.32 108.84 2dj0 s GLY 133 Ca 0.71 0.71 0.11 0.00 0.00 0.00 0.00 44.72 46.25 2dj0 s GLY 133 CO 0.53 1.13 1.09 -1.55 0.00 0.00 0.00 173.10 174.31 2dj0 n PRO 134 N -0.19 0.49 -1.10 2.90 -0.04 -1.26 -4.88 135.00 130.92 2dj0 n PRO 134 Ca 0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 2dj0 n PRO 134 Cb 0.50 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 2dj0 n PRO 134 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dj0 n SER 135 N -0.85 0.17 0.10 3.54 2.88 -1.26 -4.82 113.62 113.38 2dj0 n SER 135 Ca 0.08 0.83 -0.16 0.00 -1.33 0.00 0.00 58.87 58.29 2dj0 n SER 135 Cb 0.04 -0.65 -0.09 0.00 -0.75 0.00 0.00 64.21 62.76 2dj0 n SER 135 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dj0 h SER 136 N 2.42 -1.53 -0.01 -3.46 0.02 -2.03 -3.53 113.55 105.43 2dj0 h SER 136 Ca -0.35 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2dj0 h SER 136 Cb 1.01 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2dj0 h SER 136 CO 0.51 -0.54 0.00 0.61 -1.14 0.00 0.00 176.83 176.27