#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 -0.14 0.25 1.61 1.04 -1.26 -5.19 113.70 110.01 2dj0 s SER 2 Ca 0.00 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.02 2dj0 s SER 2 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2dj0 s SER 2 CO 0.00 -0.86 0.08 -0.44 0.98 0.00 0.00 173.24 173.00 2dj0 s SER 3 N -3.01 1.27 0.33 7.02 0.01 -1.26 -5.18 113.70 112.89 2dj0 s SER 3 Ca 0.14 -1.36 0.05 0.00 1.31 0.00 0.00 55.95 56.09 2dj0 s SER 3 Cb -0.01 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.34 2dj0 s SER 3 CO 0.02 -0.70 0.33 0.61 0.41 0.00 0.00 173.24 173.91 2dj0 n GLY 4 N -0.45 2.73 3.24 3.44 0.00 -1.26 -5.18 105.19 107.71 2dj0 n GLY 4 Ca -0.01 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 2dj0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dj0 n SER 5 N -1.68 2.31 -4.82 1.61 3.41 -1.26 -5.14 113.62 108.05 2dj0 n SER 5 Ca 0.06 -3.04 -0.34 0.00 -0.26 0.00 0.00 58.87 55.30 2dj0 n SER 5 Cb 0.60 0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 65.10 2dj0 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dj0 s SER 6 N -3.46 6.97 -0.77 4.04 0.15 -1.26 -4.27 113.70 115.10 2dj0 s SER 6 Ca 0.09 1.63 -0.10 0.00 0.70 0.00 0.00 55.95 58.27 2dj0 s SER 6 Cb 0.00 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2dj0 s SER 6 CO 0.06 -0.28 0.51 0.61 1.20 0.00 0.00 173.24 175.34 2dj0 n GLY 7 N -0.39 -0.93 3.31 9.45 0.00 -1.26 -4.94 105.19 110.42 2dj0 n GLY 7 Ca 0.05 0.42 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.14 2.08 -0.00 1.61 1.13 -1.26 -5.09 117.35 112.68 2dj0 s TYR 8 Ca 0.13 -0.39 -0.04 0.00 -1.41 0.00 0.00 57.07 55.36 2dj0 s TYR 8 Cb -0.08 -1.21 -0.00 0.00 -1.10 0.00 0.00 41.96 39.57 2dj0 s TYR 8 CO 0.75 0.15 0.07 0.42 -2.51 0.00 0.00 175.55 174.43 2dj0 s ILE 9 N -0.88 0.07 -0.17 -3.49 1.01 -1.26 -4.81 121.20 111.66 2dj0 s ILE 9 Ca 0.10 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.93 2dj0 s ILE 9 Cb -0.10 -0.28 -0.00 0.00 0.01 0.00 0.00 42.46 42.09 2dj0 s ILE 9 CO 0.03 -0.30 0.98 -0.54 0.00 0.00 0.00 174.94 175.11 2dj0 s LYS 10 N -0.95 4.32 -0.45 2.79 -0.14 -0.94 -4.94 119.74 119.44 2dj0 s LYS 10 Ca -0.10 1.29 -0.19 0.00 -1.36 0.00 0.00 55.97 55.61 2dj0 s LYS 10 Cb -0.06 -3.59 0.03 0.00 -1.68 0.00 0.00 37.83 32.53 2dj0 s LYS 10 CO 0.00 -0.45 0.54 0.71 -0.76 0.00 0.00 175.35 175.39 2dj0 s TYR 11 N 2.55 3.11 -0.15 3.18 2.02 -1.26 -1.98 117.35 124.83 2dj0 s TYR 11 Ca 0.44 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.74 2dj0 s TYR 11 Cb -0.17 -3.19 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 2dj0 s TYR 11 CO 0.12 -0.83 0.14 -0.06 -1.57 0.00 0.00 175.55 173.34 2dj0 s PHE 12 N 2.45 3.53 0.94 2.71 0.08 -1.26 -5.03 117.98 121.39 2dj0 s PHE 12 Ca 0.16 0.45 -0.16 0.00 0.12 0.00 0.00 56.93 57.50 2dj0 s PHE 12 Cb -0.17 -2.02 0.22 0.00 -0.57 0.00 0.00 43.02 40.48 2dj0 s PHE 12 CO 0.15 0.57 1.12 -1.71 -0.10 0.00 0.00 175.22 175.24 2dj0 n ASN 13 N 2.56 -0.54 0.21 1.36 5.15 -1.26 -4.69 115.26 118.05 2dj0 n ASN 13 Ca -0.18 -1.32 0.06 0.00 -0.60 0.00 0.00 54.58 52.53 2dj0 n ASN 13 Cb 0.54 -0.90 0.47 0.00 -0.53 0.00 0.00 39.78 39.36 2dj0 n ASN 13 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2dj0 h ASP 14 N -1.86 0.00 0.00 1.20 5.19 -1.98 -2.49 116.42 116.48 2dj0 h ASP 14 Ca -0.38 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.96 2dj0 h ASP 14 Cb 1.07 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 2dj0 h ASP 14 CO 0.26 0.28 -1.12 1.17 -3.12 0.00 0.00 179.24 176.71 2dj0 n LYS 15 N -3.89 0.46 -0.39 3.56 0.00 -1.26 -4.50 118.16 112.13 2dj0 n LYS 15 Ca -0.02 0.18 0.38 0.00 0.00 0.00 0.00 58.31 58.86 2dj0 n LYS 15 Cb 0.36 -1.29 0.76 0.00 0.00 0.00 0.00 35.03 34.85 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 -0.84 0.34 -0.87 3.15 1.35 -1.95 0.25 112.91 114.34 2dj0 h THR 16 Ca -0.11 -0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.88 2dj0 h THR 16 Cb 0.97 0.33 -0.09 0.00 -1.73 0.00 0.00 68.15 67.63 2dj0 h THR 16 CO -0.07 0.00 0.47 -0.29 -0.25 0.00 0.00 175.52 175.38 2dj0 h ILE 17 N 0.01 0.76 0.00 6.82 2.10 -1.67 -1.01 117.51 124.52 2dj0 h ILE 17 Ca 0.63 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 66.34 2dj0 h ILE 17 Cb 2.51 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 2dj0 h ILE 17 CO -0.02 0.12 -0.06 -2.24 -1.08 0.00 0.00 178.15 174.87 2dj0 h ASP 18 N 0.68 0.00 -0.86 2.19 3.04 -0.77 -2.90 116.42 117.80 2dj0 h ASP 18 Ca 0.47 0.00 0.22 0.00 -3.24 0.00 0.00 57.03 54.47 2dj0 h ASP 18 Cb 0.63 0.00 -0.16 0.00 -1.04 0.00 0.00 39.33 38.75 2dj0 h ASP 18 CO -0.34 0.50 -0.06 -1.84 -2.04 0.00 0.00 179.24 175.46 2dj0 n GLU 19 N -4.58 -0.07 -0.02 4.15 0.28 -1.07 0.21 120.64 119.53 2dj0 n GLU 19 Ca -0.01 1.30 -0.10 0.00 -0.16 0.00 0.00 57.16 58.20 2dj0 n GLU 19 Cb 0.03 -2.03 0.05 0.00 1.43 0.00 0.00 31.44 30.92 2dj0 n GLU 19 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2dj0 h GLU 20 N 0.00 0.65 0.00 3.44 4.81 -1.33 -2.66 114.58 119.49 2dj0 h GLU 20 Ca 0.49 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2dj0 h GLU 20 Cb 0.93 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2dj0 h GLU 20 CO -0.83 0.99 0.00 1.28 -0.73 0.00 0.00 179.01 179.72 2dj0 n LEU 21 N -4.00 0.00 0.03 1.64 4.77 0.56 -1.51 117.00 118.49 2dj0 n LEU 21 Ca -0.03 0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 56.26 2dj0 n LEU 21 Cb 0.58 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 2dj0 n LEU 21 CO 0.47 -0.20 -0.51 -0.08 -1.33 0.00 0.00 177.39 175.75 2dj0 h GLU 22 N 0.00 0.21 0.00 3.23 4.22 -0.17 -3.16 114.58 118.92 2dj0 h GLU 22 Ca 0.00 -0.36 -0.02 0.00 0.08 0.00 0.00 59.36 59.06 2dj0 h GLU 22 Cb 0.27 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2dj0 h GLU 22 CO 0.00 1.02 -0.93 0.07 -2.18 0.00 0.00 179.01 176.99 2dj0 h ARG 23 N 0.06 0.00 -0.54 1.92 0.11 -1.45 -3.31 114.38 111.17 2dj0 h ARG 23 Ca -0.30 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.66 2dj0 h ARG 23 Cb 2.02 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 33.03 2dj0 h ARG 23 CO 0.13 0.04 0.11 -0.25 0.10 0.00 0.00 179.97 180.10 2dj0 n ASP 24 N -2.76 4.46 0.00 0.08 9.92 -0.57 -4.76 116.55 122.92 2dj0 n ASP 24 Ca -0.01 -3.19 0.00 0.00 -0.53 0.00 0.00 54.79 51.07 2dj0 n ASP 24 Cb 0.58 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2dj0 n LYS 25 N -0.24 0.00 -0.66 -1.24 5.02 -1.19 -0.72 118.16 119.13 2dj0 n LYS 25 Ca 0.33 0.62 0.51 0.00 -2.02 0.00 0.00 58.31 57.74 2dj0 n LYS 25 Cb 1.18 -1.29 0.79 0.00 -0.02 0.00 0.00 35.03 35.70 2dj0 n LYS 25 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2dj0 h ARG 26 N 0.00 0.00 -6.54 1.97 0.11 -1.91 -3.18 114.38 104.84 2dj0 h ARG 26 Ca 0.00 -0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.56 2dj0 h ARG 26 Cb 0.00 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 2dj0 h ARG 26 CO 0.00 0.00 0.36 0.08 0.10 0.00 0.00 179.97 180.51 2dj0 s VAL 27 N -4.96 4.56 -0.20 0.08 1.01 0.10 -4.72 120.40 116.28 2dj0 s VAL 27 Ca -0.06 2.06 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 2dj0 s VAL 27 Cb 0.28 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2dj0 s VAL 27 CO 0.88 0.30 1.14 -0.89 0.00 0.00 0.00 175.10 176.53 2dj0 s THR 28 N 0.15 4.50 -0.05 3.92 2.01 -1.26 -4.73 115.64 120.17 2dj0 s THR 28 Ca 0.47 1.81 0.06 0.00 0.31 0.00 0.00 61.69 64.34 2dj0 s THR 28 Cb -0.23 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 2dj0 s THR 28 CO 0.29 -0.16 -0.23 0.26 -0.69 0.00 0.00 174.62 174.09 2dj0 s TRP 29 N 3.32 2.47 -0.29 4.92 0.52 -1.15 -3.98 118.94 124.75 2dj0 s TRP 29 Ca 0.49 -0.58 0.03 0.00 0.02 0.00 0.00 56.10 56.06 2dj0 s TRP 29 Cb -0.18 -1.60 0.08 0.00 -1.15 0.00 0.00 33.47 30.62 2dj0 s TRP 29 CO 0.10 -0.13 -0.04 -1.50 0.02 0.00 0.00 176.95 175.41 2dj0 s ILE 30 N -0.31 2.15 -0.15 2.03 2.07 -1.21 -1.93 121.20 123.86 2dj0 s ILE 30 Ca 0.01 -1.90 -0.07 0.00 -1.41 0.00 0.00 60.65 57.27 2dj0 s ILE 30 Cb -0.13 -2.41 -0.04 0.00 0.13 0.00 0.00 42.46 40.01 2dj0 s ILE 30 CO 0.02 -0.28 0.10 -0.69 -1.91 0.00 0.00 174.94 172.18 2dj0 s VAL 31 N 1.04 5.18 -0.35 4.00 1.01 -1.21 -0.92 120.40 129.15 2dj0 s VAL 31 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 2dj0 s VAL 31 Cb -0.19 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 32.94 2dj0 s VAL 31 CO -0.07 0.53 0.13 -0.70 0.00 0.00 0.00 175.10 175.00 2dj0 s GLU 32 N -0.31 2.60 -0.42 2.72 2.12 0.40 -3.02 118.70 122.79 2dj0 s GLU 32 Ca 0.10 -1.23 -0.27 0.00 0.36 0.00 0.00 54.97 53.93 2dj0 s GLU 32 Cb -0.12 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.78 2dj0 s GLU 32 CO 0.01 -0.72 0.98 -0.06 -0.54 0.00 0.00 175.26 174.94 2dj0 s PHE 33 N 1.40 2.98 0.42 5.30 0.40 -0.09 -2.97 117.98 125.41 2dj0 s PHE 33 Ca -0.01 0.66 0.04 0.00 -0.60 0.00 0.00 56.93 57.02 2dj0 s PHE 33 Cb -0.20 -3.92 -0.02 0.00 0.51 0.00 0.00 43.02 39.39 2dj0 s PHE 33 CO 0.03 -1.01 0.13 -0.59 0.70 0.00 0.00 175.22 174.49 2dj0 s PHE 34 N 3.78 1.78 0.28 0.36 -0.71 -1.22 -1.64 117.98 120.61 2dj0 s PHE 34 Ca 0.40 -1.30 0.02 0.00 -1.04 0.00 0.00 56.93 55.01 2dj0 s PHE 34 Cb -0.10 -1.15 -0.05 0.00 -1.21 0.00 0.00 43.02 40.50 2dj0 s PHE 34 CO 0.24 -0.32 0.10 0.00 -1.34 0.00 0.00 175.22 173.90 2dj0 s ALA 35 N -3.19 1.88 -0.02 1.99 0.00 -1.26 -0.09 121.76 121.07 2dj0 s ALA 35 Ca 0.23 -1.88 0.05 0.00 0.00 0.00 0.00 51.96 50.36 2dj0 s ALA 35 Cb 0.02 0.98 -0.24 0.00 0.00 0.00 0.00 23.12 23.88 2dj0 s ALA 35 CO 0.15 -0.43 0.76 -0.97 0.00 0.00 0.00 175.76 175.26 2dj0 h ASN 36 N 2.31 0.16 -0.29 0.00 -0.73 -1.96 -3.30 115.58 111.76 2dj0 h ASN 36 Ca -0.38 -0.27 0.00 0.00 1.87 0.00 0.00 56.30 57.51 2dj0 h ASN 36 Cb 1.25 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.79 2dj0 h ASN 36 CO 0.62 1.24 0.00 -2.67 -0.37 0.00 0.00 177.43 176.24 2dj0 n TRP 37 N -3.25 0.39 -2.82 0.67 4.27 -1.26 -4.77 117.44 110.66 2dj0 n TRP 37 Ca -0.16 -0.19 -0.43 0.00 -3.89 0.00 0.00 57.50 52.82 2dj0 n TRP 37 Cb 1.03 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.95 2dj0 n TRP 37 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2dj0 s SER 38 N -1.13 6.21 0.01 -0.67 1.04 -1.25 -4.90 113.70 113.02 2dj0 s SER 38 Ca 0.24 -1.01 -0.25 0.00 0.48 0.00 0.00 55.95 55.41 2dj0 s SER 38 Cb 0.13 -2.44 -0.17 0.00 0.10 0.00 0.00 66.02 63.64 2dj0 s SER 38 CO 0.17 -1.46 1.30 0.78 0.98 0.00 0.00 173.24 175.01 2dj0 h ASN 39 N 9.58 -0.24 -1.08 7.02 2.35 -1.92 -2.93 115.58 128.35 2dj0 h ASN 39 Ca -0.25 -0.22 0.31 0.00 -0.55 0.00 0.00 56.30 55.58 2dj0 h ASN 39 Cb 1.06 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.44 2dj0 h ASN 39 CO 1.19 0.11 0.76 -0.78 -1.65 0.00 0.00 177.43 177.07 2dj0 h ASP 40 N -0.62 0.09 -0.44 5.81 1.82 -1.94 0.49 116.42 121.63 2dj0 h ASP 40 Ca -0.03 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 2dj0 h ASP 40 Cb 0.45 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 2dj0 h ASP 40 CO 0.05 0.02 0.21 0.00 -1.61 0.00 0.00 179.24 177.91 2dj0 h GLN 42 N 0.68 0.15 -0.27 0.00 3.07 -0.05 0.91 115.11 119.60 2dj0 h GLN 42 Ca 0.17 -0.01 -0.10 0.00 0.09 0.00 0.00 58.65 58.80 2dj0 h GLN 42 Cb 0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 2dj0 h GLN 42 CO -0.02 0.10 -0.25 1.03 0.09 0.00 0.00 178.83 179.77 2dj0 h SER 43 N 0.15 0.52 1.08 0.06 0.87 -1.55 -2.91 113.55 111.78 2dj0 h SER 43 Ca 0.64 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.95 2dj0 h SER 43 Cb 2.14 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.95 2dj0 h SER 43 CO -0.17 0.77 -0.96 0.15 -0.53 0.00 0.00 176.83 176.09 2dj0 h PHE 44 N 0.46 0.00 -0.72 2.24 3.57 0.51 -3.37 116.94 119.63 2dj0 h PHE 44 Ca 0.07 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.63 2dj0 h PHE 44 Cb 0.69 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 2dj0 h PHE 44 CO 0.02 0.24 -0.42 0.00 -2.23 0.00 0.00 178.31 175.92 2dj0 n ALA 45 N -2.25 -0.46 -0.03 2.41 0.00 0.96 -0.32 120.51 120.83 2dj0 n ALA 45 Ca -0.02 0.61 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 2dj0 n ALA 45 Cb 0.66 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 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 0.16 -0.78 0.00 0.13 -1.75 -3.13 132.00 126.63 2dj0 h PRO 46 Ca 0.12 -0.08 0.17 0.00 -0.87 0.00 0.00 66.00 65.33 2dj0 h PRO 46 Cb 0.29 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.29 2dj0 h PRO 46 CO -0.68 0.60 -0.07 0.82 -0.23 0.00 0.00 178.00 178.45 2dj0 h ILE 47 N -0.28 0.27 -0.36 -3.56 2.04 -1.33 0.15 117.51 114.45 2dj0 h ILE 47 Ca 0.01 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2dj0 h ILE 47 Cb 0.57 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2dj0 h ILE 47 CO 0.02 0.01 0.23 0.22 0.00 0.00 0.00 178.15 178.63 2dj0 h TYR 48 N 0.05 0.43 -0.38 1.37 3.20 -0.71 -1.54 116.97 119.41 2dj0 h TYR 48 Ca 0.41 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.33 2dj0 h TYR 48 Cb 0.70 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2dj0 h TYR 48 CO -0.50 0.27 0.15 0.00 -1.64 0.00 0.00 178.16 176.43 2dj0 h ALA 49 N 1.14 0.45 -0.35 1.82 0.00 -0.73 -0.20 119.26 121.39 2dj0 h ALA 49 Ca 0.14 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2dj0 h ALA 49 Cb -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2dj0 h ALA 49 CO -0.04 -0.23 0.20 -0.44 0.00 0.00 0.00 179.25 178.74 2dj0 h ASP 50 N 0.32 0.33 1.00 0.00 3.32 -0.75 -2.46 116.42 118.18 2dj0 h ASP 50 Ca 0.17 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2dj0 h ASP 50 Cb 0.13 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.62 2dj0 h ASP 50 CO -0.15 0.24 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.05 2dj0 h LEU 51 N 0.42 -1.14 -0.84 1.55 3.38 -0.87 -2.68 115.31 115.13 2dj0 h LEU 51 Ca 0.14 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2dj0 h LEU 51 Cb 0.01 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 2dj0 h LEU 51 CO -0.07 -0.81 -0.57 0.77 0.09 0.00 0.00 178.44 177.85 2dj0 h SER 52 N -1.35 -2.05 -1.02 -0.43 4.64 -0.99 0.62 113.55 112.97 2dj0 h SER 52 Ca -0.14 0.30 0.28 0.00 -0.47 0.00 0.00 61.79 61.76 2dj0 h SER 52 Cb 1.03 0.89 -0.13 0.00 -0.31 0.00 0.00 62.40 63.88 2dj0 h SER 52 CO 0.23 -0.27 0.61 -0.07 -0.87 0.00 0.00 176.83 176.45 2dj0 h LEU 53 N -0.09 0.59 0.72 5.97 3.38 -1.43 0.78 115.31 125.23 2dj0 h LEU 53 Ca 0.14 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2dj0 h LEU 53 Cb 0.44 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.27 2dj0 h LEU 53 CO -0.84 0.02 -0.35 0.50 0.09 0.00 0.00 178.44 177.87 2dj0 h LYS 54 N 0.47 -0.94 -0.67 1.13 3.64 0.54 -2.83 116.57 117.91 2dj0 h LYS 54 Ca 0.67 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.12 2dj0 h LYS 54 Cb 1.44 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 2dj0 h LYS 54 CO -0.49 -0.60 0.00 0.66 -2.27 0.00 0.00 179.45 176.75 2dj0 n TYR 55 N -5.45 0.25 -0.80 1.91 4.02 -0.41 -4.16 117.16 112.52 2dj0 n TYR 55 Ca -0.13 -0.09 -0.16 0.00 -0.01 0.00 0.00 57.90 57.51 2dj0 n TYR 55 Cb 0.40 -0.11 0.04 0.00 -0.02 0.00 0.00 39.34 39.66 2dj0 n TYR 55 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2dj0 n ASN 56 N -0.00 6.09 0.07 7.72 3.02 0.26 -4.13 115.26 128.29 2dj0 n ASN 56 Ca 0.04 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 2dj0 n ASN 56 Cb 0.29 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 2dj0 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dj0 n THR 58 N -3.30 0.00 -0.64 0.00 -2.24 -1.26 -4.81 114.28 102.03 2dj0 n THR 58 Ca 0.00 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 2dj0 n THR 58 Cb 0.07 -1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 67.15 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dj0 n GLY 59 N -1.30 2.37 2.80 3.38 0.00 -1.26 -4.67 105.19 106.50 2dj0 n GLY 59 Ca 0.08 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 2.22 0.44 0.99 2.96 -1.26 -4.46 118.68 119.57 2dj0 s LEU 60 Ca 0.34 -1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 52.85 2dj0 s LEU 60 Cb 0.16 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 2dj0 s LEU 60 CO 0.00 -0.35 0.70 0.20 -1.32 0.00 0.00 176.35 175.58 2dj0 s ASN 61 N 1.58 6.14 -0.10 3.68 0.01 -1.26 -4.53 114.94 120.47 2dj0 s ASN 61 Ca 0.04 0.65 0.02 0.00 -0.71 0.00 0.00 52.86 52.86 2dj0 s ASN 61 Cb -0.18 -2.02 0.02 0.00 0.41 0.00 0.00 41.25 39.48 2dj0 s ASN 61 CO -0.16 -0.55 -0.14 -0.36 -1.51 0.00 0.00 177.10 174.39 2dj0 s PHE 62 N -2.60 1.79 0.27 2.20 0.40 -1.26 -3.31 117.98 115.48 2dj0 s PHE 62 Ca 0.46 -0.81 0.11 0.00 -0.60 0.00 0.00 56.93 56.09 2dj0 s PHE 62 Cb -0.10 -1.32 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 2dj0 s PHE 62 CO 0.41 -0.43 -0.14 0.20 0.70 0.00 0.00 175.22 175.96 2dj0 s GLY 63 N 1.00 1.81 -0.23 4.36 0.00 -0.10 -2.21 107.32 111.95 2dj0 s GLY 63 Ca -0.07 -1.80 -0.03 0.00 0.00 0.00 0.00 44.72 42.82 2dj0 s GLY 63 CO -0.01 -1.88 0.33 1.25 0.00 0.00 0.00 173.10 172.79 2dj0 s LYS 64 N -3.55 0.30 -0.29 2.90 2.20 -0.84 -0.45 119.74 120.01 2dj0 s LYS 64 Ca 0.30 0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 56.27 2dj0 s LYS 64 Cb -0.06 -0.71 0.02 0.00 -1.51 0.00 0.00 37.83 35.57 2dj0 s LYS 64 CO 0.17 -0.66 0.06 0.54 -0.36 0.00 0.00 175.35 175.09 2dj0 s VAL 65 N 2.47 3.72 -0.54 4.02 0.11 -1.16 -4.34 120.40 124.68 2dj0 s VAL 65 Ca 0.11 -0.83 -0.26 0.00 -2.93 0.00 0.00 61.98 58.06 2dj0 s VAL 65 Cb -0.15 -2.94 -0.05 0.00 -1.53 0.00 0.00 36.38 31.71 2dj0 s VAL 65 CO -0.15 0.06 2.15 1.51 -3.33 0.00 0.00 175.10 175.34 2dj0 s ASP 66 N 1.45 4.83 0.10 3.54 1.47 -1.26 -3.44 116.67 123.36 2dj0 s ASP 66 Ca 0.01 0.75 -0.08 0.00 1.18 0.00 0.00 52.55 54.41 2dj0 s ASP 66 Cb -0.17 -2.51 -0.17 0.00 -0.34 0.00 0.00 42.92 39.72 2dj0 s ASP 66 CO 0.01 -2.64 1.23 -0.37 0.68 0.00 0.00 175.17 174.08 2dj0 h VAL 67 N 7.32 1.37 -0.20 2.11 -1.51 -0.78 -1.04 116.25 123.51 2dj0 h VAL 67 Ca -0.25 -2.48 0.06 0.00 -1.23 0.00 0.00 66.70 62.80 2dj0 h VAL 67 Cb 1.22 2.52 -0.01 0.00 -2.13 0.00 0.00 31.29 32.89 2dj0 h VAL 67 CO 1.18 0.75 0.31 1.23 -1.23 0.00 0.00 177.57 179.81 2dj0 h GLY 68 N 0.96 0.00 0.00 5.19 0.00 -1.81 -1.95 103.07 105.46 2dj0 h GLY 68 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.01 2dj0 h GLY 68 CO 0.19 0.00 -1.81 -2.13 0.00 0.00 0.00 176.54 172.79 2dj0 n ARG 69 N -3.49 1.87 -3.02 4.80 3.00 -1.21 -4.73 116.66 113.88 2dj0 n ARG 69 Ca 0.02 -0.02 -0.43 0.00 -0.00 0.00 0.00 57.85 57.43 2dj0 n ARG 69 Cb 0.42 -1.31 0.01 0.00 0.00 0.00 0.00 32.46 31.58 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2dj0 n TYR 70 N -2.41 2.62 -0.38 -0.14 4.02 -0.40 -4.83 117.16 115.65 2dj0 n TYR 70 Ca -0.18 -2.74 0.38 0.00 -0.01 0.00 0.00 57.90 55.35 2dj0 n TYR 70 Cb 0.85 -1.34 0.76 0.00 -0.02 0.00 0.00 39.34 39.59 2dj0 n TYR 70 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2dj0 h THR 71 N 3.46 0.35 -0.40 -0.72 1.35 -1.84 0.21 112.91 115.32 2dj0 h THR 71 Ca 0.21 -0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.11 2dj0 h THR 71 Cb 0.64 0.35 -0.04 0.00 -1.73 0.00 0.00 68.15 67.37 2dj0 h THR 71 CO 1.31 0.00 0.16 -0.78 -0.25 0.00 0.00 175.52 175.97 2dj0 h ASP 72 N 0.00 0.21 0.55 5.36 3.58 -1.88 -2.25 116.42 121.98 2dj0 h ASP 72 Ca 0.62 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 58.08 2dj0 h ASP 72 Cb 2.48 0.00 0.01 0.00 1.72 0.00 0.00 39.33 43.54 2dj0 h ASP 72 CO -0.01 0.16 -0.26 0.58 -2.88 0.00 0.00 179.24 176.82 2dj0 h VAL 73 N 0.34 0.17 -0.57 2.25 2.07 -0.93 -2.61 116.25 116.96 2dj0 h VAL 73 Ca 0.18 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.30 2dj0 h VAL 73 Cb 0.13 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 2dj0 h VAL 73 CO -0.16 0.03 -0.34 -1.54 0.02 0.00 0.00 177.57 175.58 2dj0 n SER 74 N -5.28 -0.61 -0.27 0.57 3.41 -1.09 0.90 113.62 111.25 2dj0 n SER 74 Ca -0.10 1.39 0.15 0.00 -0.26 0.00 0.00 58.87 60.05 2dj0 n SER 74 Cb 0.32 -0.32 0.42 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.76 -0.54 6.66 2.02 -1.51 0.11 112.91 120.41 2dj0 h THR 75 Ca 0.09 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2dj0 h THR 75 Cb 0.23 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2dj0 h THR 75 CO -0.54 0.11 0.01 -0.09 0.37 0.00 0.00 175.52 175.38 2dj0 h ARG 76 N 0.59 0.94 -0.94 6.66 2.43 0.92 -2.81 114.38 122.17 2dj0 h ARG 76 Ca 0.47 -0.29 -0.42 0.00 -0.81 0.00 0.00 59.98 58.93 2dj0 h ARG 76 Cb 0.91 -0.09 -0.25 0.00 -0.42 0.00 0.00 29.97 30.13 2dj0 h ARG 76 CO -0.22 0.95 0.53 0.66 -1.51 0.00 0.00 179.97 180.38 2dj0 n TYR 77 N -4.28 2.74 -3.43 2.20 4.02 0.12 -4.90 117.16 113.62 2dj0 n TYR 77 Ca 0.02 -1.60 -0.25 0.00 -0.01 0.00 0.00 57.90 56.06 2dj0 n TYR 77 Cb 0.32 -0.84 -0.05 0.00 -0.02 0.00 0.00 39.34 38.75 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 -0.80 -1.32 -3.32 -0.72 4.01 -0.08 -4.83 118.16 111.11 2dj0 n LYS 78 Ca 0.52 0.08 -0.45 0.00 -0.51 0.00 0.00 58.31 57.95 2dj0 n LYS 78 Cb 1.54 -3.79 -0.06 0.00 -0.51 0.00 0.00 35.03 32.20 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 -2.48 5.17 0.11 -0.18 1.01 0.17 -4.99 120.40 119.20 2dj0 s VAL 79 Ca 0.48 -1.21 -0.34 0.00 0.00 0.00 0.00 61.98 60.92 2dj0 s VAL 79 Cb -0.28 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.71 2dj0 s VAL 79 CO 0.59 -0.76 1.66 -1.20 0.00 0.00 0.00 175.10 175.39 2dj0 n SER 80 N 5.38 3.24 -2.46 3.32 7.64 -1.26 -4.48 113.62 125.00 2dj0 n SER 80 Ca -0.12 1.05 -0.34 0.00 1.01 0.00 0.00 58.87 60.47 2dj0 n SER 80 Cb 0.42 -1.42 0.05 0.00 -1.01 0.00 0.00 64.21 62.25 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 3.86 3.36 -3.98 0.44 -2.24 -1.26 -4.60 114.28 109.85 2dj0 n THR 81 Ca 0.18 -3.67 -0.34 0.00 -2.27 0.00 0.00 64.05 57.95 2dj0 n THR 81 Cb 0.29 -1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 67.28 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2dj0 s SER 82 N -2.03 6.11 0.00 3.42 0.01 -1.26 -4.98 113.70 114.97 2dj0 s SER 82 Ca 0.58 0.30 0.15 0.00 1.31 0.00 0.00 55.95 58.29 2dj0 s SER 82 Cb 0.47 -1.88 0.75 0.00 0.21 0.00 0.00 66.02 65.57 2dj0 s SER 82 CO -0.13 0.30 1.40 -0.81 0.41 0.00 0.00 173.24 174.41 2dj0 n PRO 83 N 1.30 0.23 -0.13 12.44 -0.04 -1.26 -3.06 135.00 144.47 2dj0 n PRO 83 Ca -0.14 0.14 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2dj0 n PRO 83 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.27 2.33 -4.64 1.53 4.32 -1.26 -5.00 117.00 113.02 2dj0 n LEU 84 Ca 0.07 0.14 -0.33 0.00 -0.02 0.00 0.00 56.01 55.87 2dj0 n LEU 84 Cb 0.11 -0.83 0.13 0.00 -1.62 0.00 0.00 43.42 41.22 2dj0 n LEU 84 CO 0.11 0.71 0.61 1.07 -1.22 0.00 0.00 177.39 178.67 2dj0 n THR 85 N -3.81 1.39 -1.34 -5.08 5.66 -1.17 -4.92 114.28 105.01 2dj0 n THR 85 Ca -0.50 -0.18 -0.32 0.00 -3.05 0.00 0.00 64.05 60.01 2dj0 n THR 85 Cb 0.92 -1.06 0.10 0.00 -1.55 0.00 0.00 70.33 68.73 2dj0 n THR 85 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj0 n LYS 86 N -3.13 2.62 -1.10 1.09 4.01 -1.26 -4.51 118.16 115.88 2dj0 n LYS 86 Ca 0.12 -3.26 -0.16 0.00 -0.51 0.00 0.00 58.31 54.50 2dj0 n LYS 86 Cb 0.51 -2.26 0.21 0.00 -0.51 0.00 0.00 35.03 32.98 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2dj0 n GLN 87 N -0.96 2.55 -3.65 1.97 6.02 -1.26 -4.65 117.38 117.40 2dj0 n GLN 87 Ca 0.61 -3.05 -0.05 0.00 -0.01 0.00 0.00 57.00 54.50 2dj0 n GLN 87 Cb 0.88 -2.13 -0.07 0.00 1.02 0.00 0.00 30.24 29.94 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 -3.21 -0.86 0.00 1.08 1.43 -1.26 -4.31 118.68 111.54 2dj0 s LEU 88 Ca 0.54 1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.90 2dj0 s LEU 88 Cb 0.46 2.02 0.15 0.00 0.03 0.00 0.00 46.19 48.85 2dj0 s LEU 88 CO 0.10 -0.22 0.55 -0.81 0.23 0.00 0.00 176.35 176.19 2dj0 n PRO 89 N 4.98 -2.09 -3.60 1.29 -0.04 -1.26 -4.84 135.00 129.43 2dj0 n PRO 89 Ca -0.15 -0.88 -0.09 0.00 -0.04 0.00 0.00 63.50 62.35 2dj0 n PRO 89 Cb 0.53 -0.82 -0.09 0.00 -0.04 0.00 0.00 33.50 33.07 2dj0 n PRO 89 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2dj0 s THR 90 N -1.99 -0.64 -0.24 0.52 2.01 -0.65 -4.64 115.64 110.02 2dj0 s THR 90 Ca 0.36 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.43 2dj0 s THR 90 Cb -0.04 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 2dj0 s THR 90 CO 0.27 0.04 0.04 -0.76 -0.69 0.00 0.00 174.62 173.52 2dj0 s LEU 91 N 2.60 3.31 -0.08 4.42 1.43 -0.77 -0.91 118.68 128.67 2dj0 s LEU 91 Ca 0.01 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2dj0 s LEU 91 Cb -0.13 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.23 2dj0 s LEU 91 CO -0.13 -0.01 -0.17 -0.63 0.23 0.00 0.00 176.35 175.63 2dj0 s ILE 92 N 1.48 1.54 -0.16 -0.59 1.01 -1.17 -1.59 121.20 121.72 2dj0 s ILE 92 Ca 0.06 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 2dj0 s ILE 92 Cb -0.15 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 2dj0 s ILE 92 CO 0.02 0.45 0.20 -0.22 0.00 0.00 0.00 174.94 175.39 2dj0 s LEU 93 N 0.56 4.27 -0.13 2.97 2.96 -0.94 -3.28 118.68 125.09 2dj0 s LEU 93 Ca -0.16 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2dj0 s LEU 93 Cb -0.17 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2dj0 s LEU 93 CO 0.05 0.21 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.84 2dj0 s PHE 94 N 0.05 2.89 -0.25 5.38 0.40 -0.81 -2.48 117.98 123.16 2dj0 s PHE 94 Ca 0.13 -0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 2dj0 s PHE 94 Cb -0.12 -1.86 0.11 0.00 0.51 0.00 0.00 43.02 41.66 2dj0 s PHE 94 CO 0.02 -0.08 0.26 -0.65 0.70 0.00 0.00 175.22 175.46 2dj0 s GLN 95 N 0.20 0.26 0.00 0.44 -0.21 -1.15 -2.94 119.66 116.26 2dj0 s GLN 95 Ca -0.06 0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.36 2dj0 s GLN 95 Cb -0.15 -0.92 0.00 0.00 1.00 0.00 0.00 33.01 32.94 2dj0 s GLN 95 CO 0.04 -0.84 0.00 0.41 -2.12 0.00 0.00 175.29 172.79 2dj0 n GLY 96 N 5.31 0.97 3.18 3.09 0.00 -1.20 -4.10 105.19 112.44 2dj0 n GLY 96 Ca -0.04 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.81 -0.29 3.61 -0.02 0.00 -1.26 -4.93 105.19 101.49 2dj0 n GLY 97 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2dj0 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dj0 s LYS 98 N -6.01 1.78 -0.64 1.61 -2.85 -1.26 -5.12 119.74 107.26 2dj0 s LYS 98 Ca 0.46 -1.42 -0.16 0.00 -1.00 0.00 0.00 55.97 53.85 2dj0 s LYS 98 Cb -0.20 0.50 0.14 0.00 -2.06 0.00 0.00 37.83 36.21 2dj0 s LYS 98 CO 0.56 -0.76 0.64 -2.00 0.10 0.00 0.00 175.35 173.89 2dj0 s GLU 99 N -3.46 3.17 0.00 1.78 2.12 -1.26 -2.91 118.70 118.14 2dj0 s GLU 99 Ca 0.23 -1.79 -0.25 0.00 0.36 0.00 0.00 54.97 53.53 2dj0 s GLU 99 Cb -0.02 -4.35 -0.17 0.00 0.26 0.00 0.00 34.13 29.86 2dj0 s GLU 99 CO 0.13 -1.40 1.21 0.00 -0.54 0.00 0.00 175.26 174.66 2dj0 h ALA 100 N 8.71 -0.35 -2.62 6.30 0.00 -1.80 -3.48 119.26 126.02 2dj0 h ALA 100 Ca -0.18 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2dj0 h ALA 100 Cb 1.08 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 2dj0 h ALA 100 CO 0.99 -0.51 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 2dj0 s MET 101 N -4.54 1.04 -0.20 0.00 0.00 -1.24 -5.05 119.30 109.31 2dj0 s MET 101 Ca -0.14 -1.00 -0.14 0.00 0.00 0.00 0.00 55.69 54.41 2dj0 s MET 101 Cb 0.02 0.39 0.06 0.00 0.00 0.00 0.00 34.83 35.30 2dj0 s MET 101 CO 0.55 -0.37 0.51 -0.98 0.00 0.00 0.00 175.02 174.72 2dj0 s ARG 102 N -3.90 0.53 -0.02 3.16 1.04 -1.26 -2.21 118.95 116.30 2dj0 s ARG 102 Ca 0.10 0.86 0.04 0.00 -1.04 0.00 0.00 55.73 55.69 2dj0 s ARG 102 Cb 0.03 0.12 -0.01 0.00 -2.04 0.00 0.00 34.95 33.06 2dj0 s ARG 102 CO -0.06 -0.13 -0.15 1.03 -0.04 0.00 0.00 175.30 175.95 2dj0 s ARG 103 N 1.06 1.28 0.43 3.89 1.81 -0.62 -2.60 118.95 124.19 2dj0 s ARG 103 Ca -0.06 -0.53 -0.24 0.00 -1.72 0.00 0.00 55.73 53.17 2dj0 s ARG 103 Cb -0.06 -1.21 -0.08 0.00 -0.45 0.00 0.00 34.95 33.15 2dj0 s ARG 103 CO -0.10 0.30 1.18 -1.25 -0.68 0.00 0.00 175.30 174.75 2dj0 s PRO 104 N -0.26 3.91 0.42 3.54 0.04 -1.26 -1.84 135.00 139.54 2dj0 s PRO 104 Ca 0.04 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2dj0 s PRO 104 Cb -0.07 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 2dj0 s PRO 104 CO -0.00 -0.44 1.09 -1.14 0.04 0.00 0.00 177.00 176.55 2dj0 s GLN 105 N -2.47 4.03 -0.08 4.56 0.74 -1.07 -4.69 119.66 120.69 2dj0 s GLN 105 Ca 0.60 1.59 -0.18 0.00 0.05 0.00 0.00 55.36 57.42 2dj0 s GLN 105 Cb -0.30 -2.49 -0.05 0.00 1.10 0.00 0.00 33.01 31.27 2dj0 s GLN 105 CO 0.38 -0.27 0.49 0.42 -0.55 0.00 0.00 175.29 175.76 2dj0 s ILE 106 N -1.63 5.10 0.80 -2.34 -1.09 -1.26 -0.91 121.20 119.87 2dj0 s ILE 106 Ca 0.60 1.01 -0.05 0.00 -2.23 0.00 0.00 60.65 59.97 2dj0 s ILE 106 Cb -0.24 -3.83 0.17 0.00 -1.58 0.00 0.00 42.46 36.98 2dj0 s ILE 106 CO 0.30 0.38 1.09 -0.67 -1.23 0.00 0.00 174.94 174.81 2dj0 n ASP 107 N 3.20 0.94 -0.33 3.58 2.03 0.62 -4.88 116.55 121.71 2dj0 n ASP 107 Ca -0.08 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.32 2dj0 n ASP 107 Cb 0.52 -0.76 0.14 0.00 -0.72 0.00 0.00 41.12 40.30 2dj0 n ASP 107 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2dj0 h LYS 108 N 0.00 1.05 -1.91 -0.67 1.63 -1.98 -2.08 116.57 112.61 2dj0 h LYS 108 Ca -0.36 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.29 2dj0 h LYS 108 Cb 1.20 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 32.55 2dj0 h LYS 108 CO 0.33 0.69 0.05 1.63 -3.45 0.00 0.00 179.45 178.71 2dj0 n LYS 109 N -4.56 1.27 -3.88 1.90 4.01 -1.26 -4.79 118.16 110.85 2dj0 n LYS 109 Ca 0.13 -0.43 -0.24 0.00 -0.51 0.00 0.00 58.31 57.25 2dj0 n LYS 109 Cb 0.14 -1.23 -0.08 0.00 -0.51 0.00 0.00 35.03 33.36 2dj0 n LYS 109 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2dj0 n GLY 110 N 1.35 -0.10 3.38 0.72 0.00 -0.78 -4.90 105.19 104.86 2dj0 n GLY 110 Ca 0.10 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2dj0 n GLY 110 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dj0 s ARG 111 N -6.31 1.53 -0.38 1.61 1.70 -1.25 -4.89 118.95 110.96 2dj0 s ARG 111 Ca 0.02 -1.28 -0.22 0.00 -0.47 0.00 0.00 55.73 53.79 2dj0 s ARG 111 Cb -0.01 -1.93 0.01 0.00 -0.57 0.00 0.00 34.95 32.45 2dj0 s ARG 111 CO 0.76 0.47 0.71 0.00 -1.08 0.00 0.00 175.30 176.16 2dj0 s ALA 112 N -0.99 3.42 -0.08 7.88 0.00 -1.26 -0.27 121.76 130.45 2dj0 s ALA 112 Ca 0.13 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 2dj0 s ALA 112 Cb -0.10 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 2dj0 s ALA 112 CO 0.05 -1.50 2.08 0.08 0.00 0.00 0.00 175.76 176.47 2dj0 s VAL 113 N 2.93 3.02 -0.52 0.00 1.01 -0.09 -4.83 120.40 121.92 2dj0 s VAL 113 Ca 0.27 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2dj0 s VAL 113 Cb -0.14 -3.02 -0.11 0.00 0.00 0.00 0.00 36.38 33.11 2dj0 s VAL 113 CO 0.17 -0.01 2.39 -0.24 0.00 0.00 0.00 175.10 177.41 2dj0 n SER 114 N 9.46 1.96 -4.26 3.32 2.88 -1.26 -4.45 113.62 121.27 2dj0 n SER 114 Ca 0.24 -0.04 -0.31 0.00 -1.33 0.00 0.00 58.87 57.43 2dj0 n SER 114 Cb 0.43 -1.36 -0.16 0.00 -0.75 0.00 0.00 64.21 62.36 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 9.82 2.33 0.17 0.66 -0.00 -1.26 -5.11 118.94 125.55 2dj0 s TRP 115 Ca 1.09 -0.65 -0.30 0.00 -0.00 0.00 0.00 56.10 56.24 2dj0 s TRP 115 Cb -0.60 -1.53 -0.08 0.00 -0.00 0.00 0.00 33.47 31.26 2dj0 s TRP 115 CO 0.38 -0.18 1.33 0.99 -0.00 0.00 0.00 176.95 179.47 2dj0 s THR 116 N -0.23 3.27 -0.92 5.86 2.01 -1.26 -4.97 115.64 119.41 2dj0 s THR 116 Ca -0.01 0.99 -0.14 0.00 0.31 0.00 0.00 61.69 62.84 2dj0 s THR 116 Cb -0.13 -3.64 0.21 0.00 0.01 0.00 0.00 72.50 68.96 2dj0 s THR 116 CO 0.03 0.12 0.92 -0.36 -0.69 0.00 0.00 174.62 174.64 2dj0 s PHE 117 N 0.48 3.74 0.29 4.92 0.08 -1.26 -4.82 117.98 121.41 2dj0 s PHE 117 Ca 0.59 -2.03 0.02 0.00 0.12 0.00 0.00 56.93 55.63 2dj0 s PHE 117 Cb -0.36 -3.92 -0.06 0.00 -0.57 0.00 0.00 43.02 38.11 2dj0 s PHE 117 CO 0.35 -1.08 0.08 -1.54 -0.10 0.00 0.00 175.22 172.93 2dj0 s SER 118 N 2.27 1.74 0.00 1.36 1.04 -1.26 -4.86 113.70 114.00 2dj0 s SER 118 Ca 0.24 -1.39 -0.12 0.00 0.48 0.00 0.00 55.95 55.16 2dj0 s SER 118 Cb -0.09 0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.02 2dj0 s SER 118 CO -0.08 -0.68 0.81 -0.08 0.98 0.00 0.00 173.24 174.19 2dj0 h GLU 119 N 2.25 -0.43 -0.57 4.02 4.81 -1.94 -2.72 114.58 120.01 2dj0 h GLU 119 Ca -0.39 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.92 2dj0 h GLU 119 Cb 1.25 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.65 2dj0 h GLU 119 CO 0.65 -0.28 -0.43 0.93 -0.73 0.00 0.00 179.01 179.15 2dj0 h GLU 120 N -0.64 -0.11 -0.13 1.92 5.08 -1.99 -1.29 114.58 117.42 2dj0 h GLU 120 Ca -0.05 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2dj0 h GLU 120 Cb 0.34 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2dj0 h GLU 120 CO 0.07 -0.08 -0.12 -0.91 -1.00 0.00 0.00 179.01 176.98 2dj0 h ASN 121 N -0.12 -0.40 -0.91 1.42 2.35 -1.93 0.81 115.58 116.80 2dj0 h ASN 121 Ca 0.09 0.06 0.18 0.00 -0.55 0.00 0.00 56.30 56.08 2dj0 h ASN 121 Cb 0.36 0.17 -0.17 0.00 0.05 0.00 0.00 38.32 38.73 2dj0 h ASN 121 CO -0.60 -0.07 -0.24 0.52 -1.65 0.00 0.00 177.43 175.39 2dj0 n VAL 122 N -3.32 -0.39 -0.37 2.81 0.31 -0.91 0.16 118.33 116.62 2dj0 n VAL 122 Ca -0.00 2.08 -0.02 0.00 -0.01 0.00 0.00 64.34 66.38 2dj0 n VAL 122 Cb 0.06 -2.87 0.10 0.00 -0.91 0.00 0.00 33.84 30.23 2dj0 n VAL 122 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dj0 h ILE 123 N 0.00 1.26 0.24 2.52 2.04 0.01 -0.50 117.51 123.08 2dj0 h ILE 123 Ca 0.42 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2dj0 h ILE 123 Cb 0.65 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2dj0 h ILE 123 CO -0.93 0.25 -0.12 -0.09 0.00 0.00 0.00 178.15 177.27 2dj0 h ARG 124 N 1.34 -0.31 -0.58 2.37 9.65 0.39 0.61 114.38 127.85 2dj0 h ARG 124 Ca 0.36 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.36 2dj0 h ARG 124 Cb -0.13 0.07 -0.11 0.00 -1.39 0.00 0.00 29.97 28.41 2dj0 h ARG 124 CO -0.07 -0.21 -0.36 0.93 2.80 0.00 0.00 179.97 183.06 2dj0 h GLU 125 N -0.59 -0.18 0.00 0.20 4.39 -0.45 0.67 114.58 118.62 2dj0 h GLU 125 Ca -0.03 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2dj0 h GLU 125 Cb 0.25 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2dj0 h GLU 125 CO 0.05 -0.12 0.00 1.19 -1.16 0.00 0.00 179.01 178.98 2dj0 n PHE 126 N -5.43 0.00 -4.10 4.33 3.72 -0.20 -4.92 117.46 110.87 2dj0 n PHE 126 Ca 0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.15 2dj0 n PHE 126 Cb 0.35 -0.42 -0.04 0.00 -0.94 0.00 0.00 39.48 38.43 2dj0 n PHE 126 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2dj0 n ASN 127 N -1.42 -0.48 -0.03 4.37 4.13 0.23 -4.82 115.26 117.24 2dj0 n ASN 127 Ca 0.09 -1.08 -0.09 0.00 1.68 0.00 0.00 54.58 55.19 2dj0 n ASN 127 Cb 0.29 -2.62 -0.03 0.00 -1.54 0.00 0.00 39.78 35.88 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 -1.75 -0.27 -0.90 3.41 3.38 -1.26 -2.19 115.31 115.72 2dj0 h LEU 128 Ca -0.63 0.07 0.24 0.00 0.09 0.00 0.00 57.88 57.65 2dj0 h LEU 128 Cb 1.38 0.15 -0.17 0.00 0.09 0.00 0.00 40.66 42.12 2dj0 h LEU 128 CO 0.67 -0.11 -0.00 0.59 0.09 0.00 0.00 178.44 179.68 2dj0 n ASN 129 N -5.23 -0.12 -0.04 -0.43 3.02 -1.26 0.55 115.26 111.74 2dj0 n ASN 129 Ca -0.03 1.53 -0.13 0.00 -0.03 0.00 0.00 54.58 55.92 2dj0 n ASN 129 Cb 0.15 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 38.69 2dj0 n ASN 129 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2dj0 h GLU 130 N 0.00 0.27 -0.40 3.52 4.39 -1.62 -3.27 114.58 117.47 2dj0 h GLU 130 Ca 0.54 -0.16 0.08 0.00 0.34 0.00 0.00 59.36 60.16 2dj0 h GLU 130 Cb 1.09 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.67 2dj0 h GLU 130 CO -0.86 0.73 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.50 2dj0 h LEU 131 N -0.17 -0.55 -4.66 1.33 3.38 0.62 -2.06 115.31 113.21 2dj0 h LEU 131 Ca 0.01 0.14 -0.48 0.00 0.09 0.00 0.00 57.88 57.64 2dj0 h LEU 131 Cb 0.70 0.32 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 2dj0 h LEU 131 CO 0.03 -0.19 1.23 -1.54 0.09 0.00 0.00 178.44 178.06 2dj0 n SER 132 N -5.35 6.83 0.00 -0.43 3.41 0.25 -4.98 113.62 113.35 2dj0 n SER 132 Ca 0.02 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 2dj0 n SER 132 Cb 0.26 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 2dj0 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj0 n GLY 133 N 2.14 0.63 3.72 5.00 0.00 -0.78 -4.39 105.19 111.51 2dj0 n GLY 133 Ca 0.56 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2dj0 n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj0 s PRO 134 N 0.00 4.33 0.17 1.61 0.04 -1.26 -4.39 135.00 135.50 2dj0 s PRO 134 Ca 0.00 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.17 2dj0 s PRO 134 Cb 0.00 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 2dj0 s PRO 134 CO 0.00 -0.42 -0.15 -1.54 0.04 0.00 0.00 177.00 174.93 2dj0 s SER 135 N 1.10 3.95 0.68 6.66 1.04 -1.26 -5.13 113.70 120.73 2dj0 s SER 135 Ca 0.64 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 2dj0 s SER 135 Cb -0.36 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.21 2dj0 s SER 135 CO 0.30 0.12 1.07 -0.44 0.98 0.00 0.00 173.24 175.28 2dj0 s SER 136 N -2.65 5.62 0.00 7.02 0.01 -1.26 -5.19 113.70 117.26 2dj0 s SER 136 Ca 0.22 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.75 2dj0 s SER 136 Cb -0.09 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2dj0 s SER 136 CO 0.13 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.14