#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj0 n SER 2 N 0.00 -0.14 -4.62 1.61 3.41 -1.26 -4.83 113.62 107.78 2dj0 n SER 2 Ca 0.00 1.04 -0.43 0.00 -0.26 0.00 0.00 58.87 59.22 2dj0 n SER 2 Cb 0.00 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 2dj0 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dj0 s SER 3 N -0.11 6.80 0.00 4.04 0.15 -1.26 -4.34 113.70 118.98 2dj0 s SER 3 Ca 0.79 0.84 0.00 0.00 0.70 0.00 0.00 55.95 58.27 2dj0 s SER 3 Cb -1.10 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 60.72 2dj0 s SER 3 CO 0.51 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2dj0 n GLY 4 N 4.07 0.53 3.74 9.45 0.00 -1.26 -5.13 105.19 116.59 2dj0 n GLY 4 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2dj0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj0 s SER 5 N -0.61 7.03 1.23 1.61 0.01 -1.26 -5.06 113.70 116.65 2dj0 s SER 5 Ca 0.00 1.23 -0.18 0.00 1.31 0.00 0.00 55.95 58.31 2dj0 s SER 5 Cb 0.00 -2.41 0.29 0.00 0.21 0.00 0.00 66.02 64.12 2dj0 s SER 5 CO 0.00 -0.01 1.05 -0.44 0.41 0.00 0.00 173.24 174.25 2dj0 s SER 6 N 0.27 0.64 -0.90 2.44 0.01 -1.26 -4.66 113.70 110.24 2dj0 s SER 6 Ca 0.35 0.85 -0.17 0.00 1.31 0.00 0.00 55.95 58.30 2dj0 s SER 6 Cb -0.18 -1.24 -0.26 0.00 0.21 0.00 0.00 66.02 64.54 2dj0 s SER 6 CO 0.19 -4.32 2.16 0.61 0.41 0.00 0.00 173.24 172.28 2dj0 n GLY 7 N -0.20 -0.45 2.92 3.44 0.00 -1.26 -4.84 105.19 104.80 2dj0 n GLY 7 Ca 0.11 0.45 -0.27 0.00 0.00 0.00 0.00 46.02 46.30 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 3.50 1.57 -0.06 1.61 1.13 -1.26 -5.12 117.35 118.72 2dj0 s TYR 8 Ca 1.21 -0.80 0.06 0.00 -1.41 0.00 0.00 57.07 56.12 2dj0 s TYR 8 Cb -0.93 -1.28 -0.02 0.00 -1.10 0.00 0.00 41.96 38.64 2dj0 s TYR 8 CO 0.48 -0.54 -0.22 0.42 -2.51 0.00 0.00 175.55 173.19 2dj0 s ILE 9 N 1.68 2.31 -0.56 -3.49 1.01 -1.26 -4.86 121.20 116.03 2dj0 s ILE 9 Ca 0.05 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 2dj0 s ILE 9 Cb -0.13 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.55 2dj0 s ILE 9 CO -0.09 0.57 0.79 -0.75 0.00 0.00 0.00 174.94 175.47 2dj0 s LYS 10 N -0.30 3.17 0.46 2.79 2.20 -1.13 -4.95 119.74 121.98 2dj0 s LYS 10 Ca 0.01 -0.74 -0.21 0.00 -0.36 0.00 0.00 55.97 54.67 2dj0 s LYS 10 Cb -0.13 -4.13 -0.08 0.00 -1.51 0.00 0.00 37.83 31.98 2dj0 s LYS 10 CO 0.02 -1.45 1.05 0.71 -0.36 0.00 0.00 175.35 175.33 2dj0 s TYR 11 N 3.29 3.05 -0.03 4.03 2.02 -1.26 -2.89 117.35 125.57 2dj0 s TYR 11 Ca 0.21 1.59 0.04 0.00 -0.37 0.00 0.00 57.07 58.54 2dj0 s TYR 11 Cb -0.17 -3.11 -0.01 0.00 -0.40 0.00 0.00 41.96 38.27 2dj0 s TYR 11 CO 0.13 -0.84 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.05 2dj0 s PHE 12 N -1.85 1.48 0.88 2.71 0.08 0.01 -4.85 117.98 116.43 2dj0 s PHE 12 Ca 0.65 -0.35 -0.14 0.00 0.12 0.00 0.00 56.93 57.20 2dj0 s PHE 12 Cb -0.19 -0.98 0.20 0.00 -0.57 0.00 0.00 43.02 41.48 2dj0 s PHE 12 CO 0.23 -0.09 1.20 0.09 -0.10 0.00 0.00 175.22 176.55 2dj0 n ASN 13 N 2.95 0.18 0.20 1.36 3.02 -1.26 -4.50 115.26 117.21 2dj0 n ASN 13 Ca -0.16 -1.49 0.14 0.00 -0.03 0.00 0.00 54.58 53.04 2dj0 n ASN 13 Cb 0.54 -0.91 0.51 0.00 -0.61 0.00 0.00 39.78 39.31 2dj0 n ASN 13 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2dj0 h ASP 14 N -1.52 0.00 0.00 6.41 2.03 -1.99 -1.48 116.42 119.87 2dj0 h ASP 14 Ca -0.39 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.54 2dj0 h ASP 14 Cb 1.09 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.53 2dj0 h ASP 14 CO 0.28 0.00 -2.23 1.17 -1.03 0.00 0.00 179.24 177.43 2dj0 n LYS 15 N -2.69 0.56 0.11 4.15 3.00 -1.26 -4.50 118.16 117.53 2dj0 n LYS 15 Ca 0.02 0.24 0.04 0.00 -0.00 0.00 0.00 58.31 58.61 2dj0 n LYS 15 Cb 0.33 -1.45 0.44 0.00 0.00 0.00 0.00 35.03 34.35 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 -0.97 1.13 -1.02 3.15 1.35 -1.94 -2.60 112.91 112.01 2dj0 h THR 16 Ca -0.56 -0.52 0.28 0.00 -0.55 0.00 0.00 66.41 65.06 2dj0 h THR 16 Cb 1.49 1.01 -0.13 0.00 -1.73 0.00 0.00 68.15 68.79 2dj0 h THR 16 CO -0.34 0.17 0.61 -0.29 -0.25 0.00 0.00 175.52 175.42 2dj0 h ILE 17 N 0.27 0.44 0.00 6.82 2.10 -1.49 0.25 117.51 125.90 2dj0 h ILE 17 Ca 0.06 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.85 2dj0 h ILE 17 Cb 0.21 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 35.89 2dj0 h ILE 17 CO 0.01 0.08 -0.07 -2.24 -1.08 0.00 0.00 178.15 174.85 2dj0 h ASP 18 N 0.46 0.00 -1.05 2.19 2.03 -1.71 -2.75 116.42 115.57 2dj0 h ASP 18 Ca 0.68 0.00 0.43 0.00 -0.73 0.00 0.00 57.03 57.40 2dj0 h ASP 18 Cb 1.46 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.79 2dj0 h ASP 18 CO -0.49 0.25 0.59 -1.84 -1.03 0.00 0.00 179.24 176.72 2dj0 n GLU 19 N -3.21 -0.06 -0.01 4.15 -0.00 -1.12 0.28 120.64 120.67 2dj0 n GLU 19 Ca -0.01 1.35 -0.12 0.00 -0.00 0.00 0.00 57.16 58.37 2dj0 n GLU 19 Cb 0.04 -2.45 -0.10 0.00 -0.00 0.00 0.00 31.44 28.92 2dj0 n GLU 19 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2dj0 h GLU 20 N 0.00 -0.06 0.00 3.44 4.57 -0.65 -2.55 114.58 119.32 2dj0 h GLU 20 Ca 0.85 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 59.03 2dj0 h GLU 20 Cb 2.32 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.93 2dj0 h GLU 20 CO -0.71 0.53 0.00 1.28 -1.18 0.00 0.00 179.01 178.92 2dj0 n LEU 21 N -4.82 0.35 0.01 1.64 4.77 0.13 -0.96 117.00 118.12 2dj0 n LEU 21 Ca -0.09 0.63 -0.22 0.00 -0.03 0.00 0.00 56.01 56.31 2dj0 n LEU 21 Cb 0.31 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 2dj0 n LEU 21 CO 0.31 -0.65 -0.59 -0.33 -1.33 0.00 0.00 177.39 174.80 2dj0 h GLU 22 N 0.00 0.25 0.00 3.23 3.07 -0.10 -2.88 114.58 118.15 2dj0 h GLU 22 Ca 0.00 -0.43 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2dj0 h GLU 22 Cb 0.11 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2dj0 h GLU 22 CO 0.00 1.21 -0.14 2.89 -1.40 0.00 0.00 179.01 181.57 2dj0 n ARG 23 N -3.77 0.00 -0.12 2.33 -4.01 -0.87 -3.29 116.66 106.93 2dj0 n ARG 23 Ca -0.28 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 56.57 2dj0 n ARG 23 Cb 0.96 -1.50 0.10 0.00 -3.04 0.00 0.00 32.46 28.98 2dj0 n ARG 23 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2dj0 n ASP 24 N -1.50 2.61 -0.05 2.89 5.68 -0.14 -4.82 116.55 121.22 2dj0 n ASP 24 Ca 0.07 -2.16 -0.01 0.00 -0.50 0.00 0.00 54.79 52.18 2dj0 n ASP 24 Cb 0.34 -0.18 -0.01 0.00 -1.14 0.00 0.00 41.12 40.13 2dj0 n ASP 24 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dj0 n LYS 25 N -0.10 -0.05 -0.34 0.11 5.02 -1.09 0.51 118.16 122.23 2dj0 n LYS 25 Ca 0.08 0.85 0.11 0.00 -2.02 0.00 0.00 58.31 57.33 2dj0 n LYS 25 Cb 0.41 -1.28 0.22 0.00 -0.02 0.00 0.00 35.03 34.37 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 0.01 -6.64 1.97 0.11 -1.88 -2.99 114.38 104.95 2dj0 h ARG 26 Ca 0.02 -0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.59 2dj0 h ARG 26 Cb 0.05 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2dj0 h ARG 26 CO -0.11 0.01 0.41 0.08 0.10 0.00 0.00 179.97 180.46 2dj0 s VAL 27 N -6.11 4.13 0.40 0.08 1.01 0.18 -4.62 120.40 115.47 2dj0 s VAL 27 Ca -0.14 1.86 -0.24 0.00 0.00 0.00 0.00 61.98 63.47 2dj0 s VAL 27 Cb 0.28 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 2dj0 s VAL 27 CO 0.78 0.33 1.06 -0.89 0.00 0.00 0.00 175.10 176.38 2dj0 s THR 28 N -0.34 3.67 -0.04 3.92 2.01 -1.26 -4.68 115.64 118.93 2dj0 s THR 28 Ca 0.47 1.29 -0.01 0.00 0.31 0.00 0.00 61.69 63.75 2dj0 s THR 28 Cb -0.27 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.60 2dj0 s THR 28 CO 0.33 0.02 0.03 0.26 -0.69 0.00 0.00 174.62 174.56 2dj0 s TRP 29 N -1.63 0.21 -0.39 4.92 0.52 -1.11 -4.24 118.94 117.22 2dj0 s TRP 29 Ca 0.58 0.09 -0.07 0.00 0.02 0.00 0.00 56.10 56.72 2dj0 s TRP 29 Cb -0.23 -0.44 0.07 0.00 -1.15 0.00 0.00 33.47 31.72 2dj0 s TRP 29 CO 0.28 -0.16 0.20 -1.50 0.02 0.00 0.00 176.95 175.79 2dj0 s ILE 30 N 1.53 3.90 -0.10 2.03 2.07 -1.17 -2.60 121.20 126.87 2dj0 s ILE 30 Ca -0.03 -1.42 -0.02 0.00 -1.41 0.00 0.00 60.65 57.76 2dj0 s ILE 30 Cb -0.13 -3.37 -0.03 0.00 0.13 0.00 0.00 42.46 39.06 2dj0 s ILE 30 CO -0.03 -0.42 0.01 -0.69 -1.91 0.00 0.00 174.94 171.89 2dj0 s VAL 31 N 1.37 4.35 -0.26 4.00 1.01 -1.22 -1.12 120.40 128.53 2dj0 s VAL 31 Ca 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2dj0 s VAL 31 Cb -0.22 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2dj0 s VAL 31 CO 0.01 0.59 0.02 -0.70 0.00 0.00 0.00 175.10 175.02 2dj0 s GLU 32 N -0.75 3.15 -0.42 2.72 2.12 -0.90 -2.95 118.70 121.67 2dj0 s GLU 32 Ca 0.12 -0.80 -0.23 0.00 0.36 0.00 0.00 54.97 54.42 2dj0 s GLU 32 Cb -0.12 -3.20 0.02 0.00 0.26 0.00 0.00 34.13 31.09 2dj0 s GLU 32 CO 0.02 -0.36 0.78 -0.06 -0.54 0.00 0.00 175.26 175.10 2dj0 s PHE 33 N 1.47 3.03 0.37 5.30 0.40 0.91 -2.82 117.98 126.64 2dj0 s PHE 33 Ca 0.03 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 2dj0 s PHE 33 Cb -0.16 -3.56 -0.04 0.00 0.51 0.00 0.00 43.02 39.77 2dj0 s PHE 33 CO -0.00 -0.89 0.11 -0.59 0.70 0.00 0.00 175.22 174.54 2dj0 s PHE 34 N 3.21 1.81 0.45 0.36 -0.71 -1.23 -0.88 117.98 120.98 2dj0 s PHE 34 Ca 0.30 -1.19 0.03 0.00 -1.04 0.00 0.00 56.93 55.03 2dj0 s PHE 34 Cb -0.12 -1.16 -0.03 0.00 -1.21 0.00 0.00 43.02 40.49 2dj0 s PHE 34 CO 0.21 -0.22 0.05 0.00 -1.34 0.00 0.00 175.22 173.91 2dj0 s ALA 35 N -3.29 3.44 -0.09 1.99 0.00 -1.26 -1.52 121.76 121.02 2dj0 s ALA 35 Ca 0.29 -1.08 0.15 0.00 0.00 0.00 0.00 51.96 51.32 2dj0 s ALA 35 Cb 0.05 0.34 -0.16 0.00 0.00 0.00 0.00 23.12 23.34 2dj0 s ALA 35 CO 0.15 -0.16 0.80 -2.95 0.00 0.00 0.00 175.76 173.59 2dj0 h ASN 36 N 1.62 0.00 -0.14 0.00 7.08 -1.98 -3.33 115.58 118.83 2dj0 h ASN 36 Ca -0.41 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.81 2dj0 h ASN 36 Cb 1.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 2dj0 h ASN 36 CO 0.69 0.72 0.00 -2.67 -2.08 0.00 0.00 177.43 174.09 2dj0 n TRP 37 N -2.96 0.15 -2.50 4.14 4.27 -1.26 -4.83 117.44 114.46 2dj0 n TRP 37 Ca -0.11 -0.08 -0.40 0.00 -3.89 0.00 0.00 57.50 53.02 2dj0 n TRP 37 Cb 0.91 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.83 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 -1.83 6.19 0.15 -0.67 1.04 -1.25 -4.84 113.70 112.49 2dj0 s SER 38 Ca 0.33 -0.81 -0.12 0.00 0.48 0.00 0.00 55.95 55.82 2dj0 s SER 38 Cb 0.21 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.79 2dj0 s SER 38 CO 0.31 -1.79 1.62 0.78 0.98 0.00 0.00 173.24 175.14 2dj0 h ASN 39 N 10.31 0.84 -1.04 7.02 4.21 -1.92 -2.64 115.58 132.35 2dj0 h ASN 39 Ca -0.07 -0.28 0.30 0.00 1.21 0.00 0.00 56.30 57.46 2dj0 h ASN 39 Cb 1.04 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 37.97 2dj0 h ASN 39 CO 1.33 0.91 0.76 -2.24 -1.29 0.00 0.00 177.43 176.90 2dj0 h ASP 40 N 0.73 0.00 0.19 5.81 3.04 -1.91 0.70 116.42 124.99 2dj0 h ASP 40 Ca 0.15 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.86 2dj0 h ASP 40 Cb 0.45 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.73 2dj0 h ASP 40 CO 0.02 0.00 -0.32 0.00 -2.04 0.00 0.00 179.24 176.90 2dj0 h GLN 42 N 0.17 0.01 0.00 0.00 3.07 0.32 0.70 115.11 119.37 2dj0 h GLN 42 Ca 0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.68 2dj0 h GLN 42 Cb 0.65 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.20 2dj0 h GLN 42 CO 0.05 0.00 -0.38 1.03 0.09 0.00 0.00 178.83 179.62 2dj0 h SER 43 N 0.01 0.00 0.28 0.06 0.87 -1.58 -3.18 113.55 110.00 2dj0 h SER 43 Ca 0.36 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.78 2dj0 h SER 43 Cb 1.42 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 2dj0 h SER 43 CO -0.01 0.38 -1.84 0.33 -0.53 0.00 0.00 176.83 175.16 2dj0 n PHE 44 N -3.38 0.35 -0.26 2.24 7.35 0.19 -4.35 117.46 119.59 2dj0 n PHE 44 Ca 0.01 0.11 -0.07 0.00 -0.76 0.00 0.00 57.45 56.74 2dj0 n PHE 44 Cb 0.57 -0.82 -0.06 0.00 0.35 0.00 0.00 39.48 39.52 2dj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj0 n ALA 45 N -2.41 -0.40 -0.04 3.13 0.00 0.18 0.16 120.51 121.14 2dj0 n ALA 45 Ca -0.12 0.53 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 2dj0 n ALA 45 Cb 0.78 -0.08 -0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 0.26 -0.02 0.00 0.13 -1.79 -3.07 132.00 127.51 2dj0 h PRO 46 Ca 0.10 -0.14 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2dj0 h PRO 46 Cb 0.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.33 2dj0 h PRO 46 CO -0.59 0.67 -0.51 0.82 -0.23 0.00 0.00 178.00 178.16 2dj0 h ILE 47 N -0.14 0.03 -0.85 -3.56 2.04 -1.01 -1.16 117.51 112.86 2dj0 h ILE 47 Ca 0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.06 2dj0 h ILE 47 Cb 0.62 0.03 -0.11 0.00 -0.74 0.00 0.00 36.82 36.62 2dj0 h ILE 47 CO 0.03 0.00 0.38 0.22 0.00 0.00 0.00 178.15 178.78 2dj0 h TYR 48 N -0.64 0.64 -0.15 1.37 3.20 -0.38 -0.76 116.97 120.25 2dj0 h TYR 48 Ca 0.02 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2dj0 h TYR 48 Cb 0.71 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 2dj0 h TYR 48 CO -0.51 0.04 -0.11 0.00 -1.64 0.00 0.00 178.16 175.94 2dj0 h ALA 49 N 1.63 0.01 0.07 1.82 0.00 -1.14 -0.40 119.26 121.25 2dj0 h ALA 49 Ca 0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2dj0 h ALA 49 Cb 0.84 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dj0 h ALA 49 CO -0.46 -0.55 -0.06 -0.44 0.00 0.00 0.00 179.25 177.74 2dj0 h ASP 50 N -0.12 -0.15 0.18 0.00 5.19 -0.27 -1.58 116.42 119.67 2dj0 h ASP 50 Ca 0.09 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2dj0 h ASP 50 Cb 0.26 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 2dj0 h ASP 50 CO -0.22 -0.09 -0.34 -0.07 -3.12 0.00 0.00 179.24 175.39 2dj0 h LEU 51 N -0.14 -0.99 -0.22 1.55 3.38 -0.96 -2.38 115.31 115.55 2dj0 h LEU 51 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2dj0 h LEU 51 Cb 0.13 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2dj0 h LEU 51 CO -0.01 -0.39 -0.41 0.77 0.09 0.00 0.00 178.44 178.48 2dj0 h SER 52 N -0.56 -1.35 -0.44 -0.43 4.64 -1.07 0.50 113.55 114.83 2dj0 h SER 52 Ca -0.02 0.17 0.13 0.00 -0.47 0.00 0.00 61.79 61.60 2dj0 h SER 52 Cb 0.53 0.54 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2dj0 h SER 52 CO -0.13 -0.33 0.94 -0.07 -0.87 0.00 0.00 176.83 176.38 2dj0 h LEU 53 N -0.36 0.00 0.00 5.97 3.38 -1.19 1.86 115.31 124.97 2dj0 h LEU 53 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2dj0 h LEU 53 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2dj0 h LEU 53 CO -0.39 0.00 -0.63 0.50 0.09 0.00 0.00 178.44 178.00 2dj0 h LYS 54 N 0.00 0.00 0.00 1.13 3.64 0.44 -3.36 116.57 118.42 2dj0 h LYS 54 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2dj0 h LYS 54 Cb 2.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 2dj0 h LYS 54 CO -0.00 0.44 0.00 0.66 -2.27 0.00 0.00 179.45 178.28 2dj0 n TYR 55 N -4.58 0.00 -1.11 1.91 4.01 0.52 -3.37 117.16 114.54 2dj0 n TYR 55 Ca -0.15 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.39 2dj0 n TYR 55 Cb 0.39 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.62 2dj0 n TYR 55 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2dj0 n ASN 56 N -0.94 3.92 -0.03 7.72 6.94 0.60 -4.00 115.26 129.47 2dj0 n ASN 56 Ca 0.21 -3.48 -0.00 0.00 -0.02 0.00 0.00 54.58 51.29 2dj0 n ASN 56 Cb 0.10 -0.81 -0.00 0.00 -2.36 0.00 0.00 39.78 36.70 2dj0 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dj0 s THR 58 N -1.35 -0.75 0.00 0.00 2.01 -1.26 -4.98 115.64 109.30 2dj0 s THR 58 Ca -0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2dj0 s THR 58 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2dj0 s THR 58 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2dj0 n GLY 59 N 5.17 2.87 3.67 4.40 0.00 -1.26 -4.87 105.19 115.16 2dj0 n GLY 59 Ca -0.14 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 3.90 0.19 0.99 2.96 -1.26 -4.69 118.68 120.77 2dj0 s LEU 60 Ca 0.00 0.14 0.11 0.00 -0.22 0.00 0.00 54.13 54.16 2dj0 s LEU 60 Cb 0.00 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2dj0 s LEU 60 CO 0.00 0.21 -0.24 0.20 -1.32 0.00 0.00 176.35 175.20 2dj0 s ASN 61 N 0.13 3.44 -0.01 3.68 0.01 -1.26 -3.72 114.94 117.22 2dj0 s ASN 61 Ca 0.06 -0.85 0.03 0.00 -0.71 0.00 0.00 52.86 51.39 2dj0 s ASN 61 Cb -0.12 -0.26 -0.03 0.00 0.41 0.00 0.00 41.25 41.24 2dj0 s ASN 61 CO 0.00 0.13 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.28 2dj0 s PHE 62 N -1.60 2.86 0.34 2.20 0.40 -1.26 -3.06 117.98 117.85 2dj0 s PHE 62 Ca 0.20 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.54 2dj0 s PHE 62 Cb -0.08 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 2dj0 s PHE 62 CO 0.09 0.34 0.23 0.20 0.70 0.00 0.00 175.22 176.79 2dj0 s GLY 63 N -1.26 2.34 0.16 4.36 0.00 -0.27 -2.84 107.32 109.82 2dj0 s GLY 63 Ca 0.16 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 42.95 2dj0 s GLY 63 CO 0.06 -1.56 0.27 0.54 0.00 0.00 0.00 173.10 172.41 2dj0 s LYS 64 N -3.57 1.14 -0.30 2.90 1.02 -1.14 -2.11 119.74 117.69 2dj0 s LYS 64 Ca 0.36 -1.18 -0.06 0.00 0.02 0.00 0.00 55.97 55.11 2dj0 s LYS 64 Cb 0.03 0.37 0.19 0.00 -0.52 0.00 0.00 37.83 37.89 2dj0 s LYS 64 CO 0.23 -0.41 0.85 0.54 -0.92 0.00 0.00 175.35 175.63 2dj0 s VAL 65 N -3.97 -0.61 0.18 3.17 0.11 -1.13 -0.81 120.40 117.34 2dj0 s VAL 65 Ca 0.17 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.91 2dj0 s VAL 65 Cb 0.03 -0.84 -0.10 0.00 -1.53 0.00 0.00 36.38 33.95 2dj0 s VAL 65 CO -0.00 0.00 1.51 1.51 -3.33 0.00 0.00 175.10 174.79 2dj0 s ASP 66 N 2.91 6.64 -0.02 3.54 -4.77 -1.26 -3.54 116.67 120.16 2dj0 s ASP 66 Ca 0.13 2.60 0.06 0.00 -3.30 0.00 0.00 52.55 52.04 2dj0 s ASP 66 Cb -0.10 -2.60 -0.10 0.00 -1.09 0.00 0.00 42.92 39.04 2dj0 s ASP 66 CO -0.19 -0.76 0.11 1.33 0.70 0.00 0.00 175.17 176.35 2dj0 n VAL 67 N 3.46 0.12 0.28 2.11 0.24 -0.58 -3.93 118.33 120.04 2dj0 n VAL 67 Ca 0.11 -0.18 0.18 0.00 -2.04 0.00 0.00 64.34 62.41 2dj0 n VAL 67 Cb 0.39 -0.00 0.95 0.00 -1.47 0.00 0.00 33.84 33.72 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 1.21 0.00 0.00 7.63 0.00 -1.91 -2.87 103.07 107.14 2dj0 h GLY 68 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2dj0 h GLY 68 CO 0.00 0.00 -1.35 -2.13 0.00 0.00 0.00 176.54 173.06 2dj0 n ARG 69 N -3.37 2.49 -2.74 4.80 0.63 -1.26 -4.85 116.66 112.36 2dj0 n ARG 69 Ca -0.01 0.01 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 2dj0 n ARG 69 Cb 0.25 -1.13 -0.01 0.00 0.45 0.00 0.00 32.46 32.02 2dj0 n ARG 69 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2dj0 s TYR 70 N -2.12 3.03 0.57 -0.14 1.51 -1.08 -4.80 117.35 114.32 2dj0 s TYR 70 Ca -0.04 -1.67 0.27 0.00 -1.01 0.00 0.00 57.07 54.62 2dj0 s TYR 70 Cb 0.02 -4.55 1.59 0.00 -0.11 0.00 0.00 41.96 38.91 2dj0 s TYR 70 CO 0.19 -1.65 2.10 1.79 -1.11 0.00 0.00 175.55 176.87 2dj0 h THR 71 N 5.45 0.56 -0.09 -0.71 1.35 -1.89 -1.70 112.91 115.87 2dj0 h THR 71 Ca 0.34 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.20 2dj0 h THR 71 Cb 0.91 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2dj0 h THR 71 CO 1.35 0.00 0.03 -0.78 -0.25 0.00 0.00 175.52 175.87 2dj0 h ASP 72 N 0.00 0.13 0.58 5.36 1.82 -1.92 -2.63 116.42 119.76 2dj0 h ASP 72 Ca 0.10 -0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.53 2dj0 h ASP 72 Cb 0.49 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 40.47 2dj0 h ASP 72 CO -0.00 0.27 -0.28 0.58 -1.61 0.00 0.00 179.24 178.20 2dj0 h VAL 73 N -0.02 0.12 -1.67 2.25 2.07 -1.69 0.12 116.25 117.43 2dj0 h VAL 73 Ca 0.03 -0.42 0.49 0.00 0.82 0.00 0.00 66.70 67.63 2dj0 h VAL 73 Cb 0.18 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 2dj0 h VAL 73 CO -0.00 0.02 1.18 0.77 0.02 0.00 0.00 177.57 179.56 2dj0 h SER 74 N -1.15 0.05 0.42 0.57 4.64 -1.50 1.35 113.55 117.93 2dj0 h SER 74 Ca -0.08 0.03 -0.30 0.00 -0.47 0.00 0.00 61.79 60.96 2dj0 h SER 74 Cb 0.63 0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.70 2dj0 h SER 74 CO 0.13 -0.03 -1.80 0.41 -0.87 0.00 0.00 176.83 174.67 2dj0 n THR 75 N -4.13 1.59 0.77 2.95 -1.04 -0.99 0.48 114.28 113.89 2dj0 n THR 75 Ca 0.39 -0.80 0.10 0.00 -2.04 0.00 0.00 64.05 61.70 2dj0 n THR 75 Cb 1.73 -0.99 0.46 0.00 -1.82 0.00 0.00 70.33 69.70 2dj0 n THR 75 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2dj0 n ARG 76 N -3.02 0.07 -0.54 -2.82 0.63 0.44 -2.90 116.66 108.52 2dj0 n ARG 76 Ca -0.19 0.14 0.04 0.00 -0.92 0.00 0.00 57.85 56.91 2dj0 n ARG 76 Cb 1.06 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 32.53 2dj0 n ARG 76 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2dj0 n TYR 77 N -1.45 0.00 -2.15 -0.14 4.02 0.06 -4.98 117.16 112.53 2dj0 n TYR 77 Ca 0.06 -0.47 -0.05 0.00 -0.01 0.00 0.00 57.90 57.43 2dj0 n TYR 77 Cb 0.22 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.43 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 -0.41 -2.30 -2.86 -0.72 4.76 -1.13 -4.85 118.16 110.64 2dj0 n LYS 78 Ca 0.07 0.25 -0.42 0.00 -2.87 0.00 0.00 58.31 55.34 2dj0 n LYS 78 Cb 0.75 -4.67 -0.04 0.00 -1.84 0.00 0.00 35.03 29.23 2dj0 n LYS 78 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dj0 s VAL 79 N -2.03 4.82 0.32 -0.18 1.01 0.18 -4.99 120.40 119.52 2dj0 s VAL 79 Ca 0.00 1.62 -0.28 0.00 0.00 0.00 0.00 61.98 63.32 2dj0 s VAL 79 Cb 0.00 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 2dj0 s VAL 79 CO 0.00 -0.08 1.17 -0.44 0.00 0.00 0.00 175.10 175.74 2dj0 s SER 80 N 1.32 6.96 -0.12 3.32 0.01 -1.26 -4.48 113.70 119.45 2dj0 s SER 80 Ca 0.36 2.39 0.17 0.00 1.31 0.00 0.00 55.95 60.18 2dj0 s SER 80 Cb -0.15 -2.63 0.26 0.00 0.21 0.00 0.00 66.02 63.71 2dj0 s SER 80 CO 0.07 -0.37 1.13 0.35 0.41 0.00 0.00 173.24 174.83 2dj0 n THR 81 N 0.80 1.75 -2.66 1.44 -2.24 -1.26 -4.55 114.28 107.57 2dj0 n THR 81 Ca 0.01 -2.09 -0.34 0.00 -2.27 0.00 0.00 64.05 59.36 2dj0 n THR 81 Cb 0.44 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.67 6.64 0.00 3.42 0.01 -1.26 -4.93 113.70 114.91 2dj0 s SER 82 Ca 0.28 1.85 0.14 0.00 1.31 0.00 0.00 55.95 59.54 2dj0 s SER 82 Cb 0.25 -2.56 0.67 0.00 0.21 0.00 0.00 66.02 64.59 2dj0 s SER 82 CO 0.03 -0.57 1.42 -0.81 0.41 0.00 0.00 173.24 173.72 2dj0 n PRO 83 N -0.70 0.11 -0.08 12.44 -0.04 -1.26 -3.00 135.00 142.47 2dj0 n PRO 83 Ca 0.08 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2dj0 n PRO 83 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.39 2.60 -4.28 1.53 4.77 -1.26 -5.03 117.00 113.95 2dj0 n LEU 84 Ca 0.05 -0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 2dj0 n LEU 84 Cb 0.14 -0.47 0.15 0.00 -2.33 0.00 0.00 43.42 40.91 2dj0 n LEU 84 CO 0.12 0.72 -0.58 1.07 -1.33 0.00 0.00 177.39 177.39 2dj0 n THR 85 N -2.92 0.00 -2.25 -5.08 5.66 -1.16 -4.94 114.28 103.58 2dj0 n THR 85 Ca -0.28 -0.27 -0.24 0.00 -3.05 0.00 0.00 64.05 60.21 2dj0 n THR 85 Cb 0.83 -0.56 0.01 0.00 -1.55 0.00 0.00 70.33 69.06 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 -1.63 3.40 -0.89 1.09 4.01 -1.26 -4.74 118.16 118.15 2dj0 n LYS 86 Ca 0.01 -4.25 -0.07 0.00 -0.51 0.00 0.00 58.31 53.49 2dj0 n LYS 86 Cb 0.62 -2.21 0.19 0.00 -0.51 0.00 0.00 35.03 33.12 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 -0.60 1.90 -3.65 1.97 1.13 -1.26 -4.74 117.38 112.13 2dj0 n GLN 87 Ca 0.40 -3.21 -0.05 0.00 -1.94 0.00 0.00 57.00 52.20 2dj0 n GLN 87 Cb 0.84 -1.86 -0.06 0.00 0.11 0.00 0.00 30.24 29.26 2dj0 n GLN 87 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dj0 s LEU 88 N -3.28 -0.90 0.00 1.08 1.43 -1.26 -4.27 118.68 111.47 2dj0 s LEU 88 Ca 0.46 1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 54.79 2dj0 s LEU 88 Cb 0.42 2.01 0.21 0.00 0.03 0.00 0.00 46.19 48.85 2dj0 s LEU 88 CO 0.00 -0.22 0.73 -0.81 0.23 0.00 0.00 176.35 176.28 2dj0 n PRO 89 N 5.13 -2.46 -3.68 1.29 -0.04 -1.26 -4.84 135.00 129.15 2dj0 n PRO 89 Ca -0.14 -1.18 -0.10 0.00 -0.04 0.00 0.00 63.50 62.05 2dj0 n PRO 89 Cb 0.51 -1.10 -0.10 0.00 -0.04 0.00 0.00 33.50 32.77 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 -2.33 -0.26 -0.15 0.52 2.01 -0.06 -4.79 115.64 110.58 2dj0 s THR 90 Ca 0.48 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 2dj0 s THR 90 Cb -0.05 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 2dj0 s THR 90 CO 0.37 0.05 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.52 2dj0 s LEU 91 N 1.88 3.10 -0.04 4.42 1.43 -1.06 -0.06 118.68 128.35 2dj0 s LEU 91 Ca -0.06 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2dj0 s LEU 91 Cb -0.10 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2dj0 s LEU 91 CO -0.13 0.17 -0.10 -0.63 0.23 0.00 0.00 176.35 175.89 2dj0 s ILE 92 N 0.34 0.90 -0.26 -0.59 1.01 -1.15 -1.94 121.20 119.50 2dj0 s ILE 92 Ca -0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 2dj0 s ILE 92 Cb -0.15 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2dj0 s ILE 92 CO 0.04 0.28 0.12 -0.22 0.00 0.00 0.00 174.94 175.16 2dj0 s LEU 93 N 0.35 3.71 -0.32 2.97 2.96 -0.61 -3.38 118.68 124.36 2dj0 s LEU 93 Ca -0.06 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 2dj0 s LEU 93 Cb -0.11 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2dj0 s LEU 93 CO 0.01 -0.03 0.17 -0.36 -1.32 0.00 0.00 176.35 174.82 2dj0 s PHE 94 N 1.61 3.19 -0.49 5.38 0.08 -1.07 -1.29 117.98 125.39 2dj0 s PHE 94 Ca 0.06 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.61 2dj0 s PHE 94 Cb -0.15 -2.37 0.13 0.00 -0.57 0.00 0.00 43.02 40.05 2dj0 s PHE 94 CO 0.07 -0.45 0.23 -0.65 -0.10 0.00 0.00 175.22 174.32 2dj0 s GLN 95 N 1.63 1.80 0.00 0.44 -0.21 -0.78 -2.74 119.66 119.80 2dj0 s GLN 95 Ca 0.05 -2.44 0.00 0.00 0.02 0.00 0.00 55.36 52.99 2dj0 s GLN 95 Cb -0.17 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.70 2dj0 s GLN 95 CO 0.07 -1.10 0.00 0.41 -2.12 0.00 0.00 175.29 172.55 2dj0 n GLY 96 N 3.31 1.01 3.07 3.09 0.00 -1.13 -3.86 105.19 110.68 2dj0 n GLY 96 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.60 0.54 3.40 -0.02 0.00 -1.26 -4.90 105.19 102.36 2dj0 n GLY 97 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.47 2.70 -0.96 1.61 1.02 -1.25 -5.04 119.74 117.35 2dj0 s LYS 98 Ca 0.00 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 55.00 2dj0 s LYS 98 Cb 0.00 -2.38 -0.11 0.00 -0.52 0.00 0.00 37.83 34.82 2dj0 s LYS 98 CO 0.00 0.48 2.09 -2.00 -0.92 0.00 0.00 175.35 174.99 2dj0 s GLU 99 N -0.36 2.09 0.20 1.68 2.12 -1.26 -1.86 118.70 121.31 2dj0 s GLU 99 Ca 0.03 -0.31 -0.11 0.00 0.36 0.00 0.00 54.97 54.94 2dj0 s GLU 99 Cb -0.12 -5.02 0.26 0.00 0.26 0.00 0.00 34.13 29.51 2dj0 s GLU 99 CO 0.02 -4.11 1.68 0.00 -0.54 0.00 0.00 175.26 172.31 2dj0 h ALA 100 N 11.35 0.59 -2.03 6.30 0.00 -1.50 -3.45 119.26 130.51 2dj0 h ALA 100 Ca 0.09 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.25 2dj0 h ALA 100 Cb 0.99 0.27 -0.18 0.00 0.00 0.00 0.00 17.79 18.87 2dj0 h ALA 100 CO 1.13 -0.37 0.49 0.00 0.00 0.00 0.00 179.25 180.50 2dj0 s MET 101 N -6.15 0.76 -0.01 0.00 0.00 -1.21 -5.03 119.30 107.66 2dj0 s MET 101 Ca -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 55.69 55.41 2dj0 s MET 101 Cb 0.18 0.36 -0.00 0.00 0.00 0.00 0.00 34.83 35.36 2dj0 s MET 101 CO 0.73 -0.30 0.05 -0.98 0.00 0.00 0.00 175.02 174.53 2dj0 s ARG 102 N -2.34 0.24 -0.01 3.16 1.70 -1.26 -1.57 118.95 118.87 2dj0 s ARG 102 Ca 0.02 -0.23 0.01 0.00 -0.47 0.00 0.00 55.73 55.05 2dj0 s ARG 102 Cb -0.01 0.10 0.01 0.00 -0.57 0.00 0.00 34.95 34.48 2dj0 s ARG 102 CO -0.04 -0.05 -0.01 1.03 -1.08 0.00 0.00 175.30 175.15 2dj0 s ARG 103 N -0.74 0.20 0.40 3.89 1.81 -0.82 -2.77 118.95 120.93 2dj0 s ARG 103 Ca -0.08 -0.02 -0.25 0.00 -1.72 0.00 0.00 55.73 53.65 2dj0 s ARG 103 Cb -0.05 -0.27 -0.08 0.00 -0.45 0.00 0.00 34.95 34.10 2dj0 s ARG 103 CO 0.00 -0.01 1.19 -1.25 -0.68 0.00 0.00 175.30 174.55 2dj0 s PRO 104 N 0.31 4.05 0.33 3.54 0.04 -1.26 -2.56 135.00 139.46 2dj0 s PRO 104 Ca -0.03 1.89 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 2dj0 s PRO 104 Cb -0.05 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.69 2dj0 s PRO 104 CO -0.01 -0.33 1.15 -1.14 0.04 0.00 0.00 177.00 176.71 2dj0 s GLN 105 N -2.27 4.38 -0.05 4.56 2.00 -1.11 -4.75 119.66 122.41 2dj0 s GLN 105 Ca 0.57 1.85 -0.21 0.00 -2.00 0.00 0.00 55.36 55.57 2dj0 s GLN 105 Cb -0.32 -2.96 -0.04 0.00 0.80 0.00 0.00 33.01 30.49 2dj0 s GLN 105 CO 0.40 -0.04 0.61 0.42 -0.50 0.00 0.00 175.29 176.18 2dj0 s ILE 106 N -1.28 5.02 0.55 -2.34 -1.09 -1.26 -3.37 121.20 117.43 2dj0 s ILE 106 Ca 0.50 1.26 -0.16 0.00 -2.23 0.00 0.00 60.65 60.02 2dj0 s ILE 106 Cb -0.32 -3.95 -0.06 0.00 -1.58 0.00 0.00 42.46 36.55 2dj0 s ILE 106 CO 0.41 0.33 1.02 -0.62 -1.23 0.00 0.00 174.94 174.85 2dj0 s ASP 107 N 0.38 6.28 0.64 3.58 2.15 -1.06 -4.89 116.67 123.76 2dj0 s ASP 107 Ca 0.32 1.67 0.20 0.00 0.43 0.00 0.00 52.55 55.18 2dj0 s ASP 107 Cb -0.17 -2.52 1.01 0.00 -0.30 0.00 0.00 42.92 40.94 2dj0 s ASP 107 CO 0.16 -0.82 1.55 0.07 -0.17 0.00 0.00 175.17 175.96 2dj0 h LYS 108 N 0.73 0.00 0.01 4.34 5.09 -1.97 0.37 116.57 125.14 2dj0 h LYS 108 Ca -0.47 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.18 2dj0 h LYS 108 Cb 1.20 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.54 2dj0 h LYS 108 CO 0.60 0.00 -0.37 0.87 -2.09 0.00 0.00 179.45 178.46 2dj0 h LYS 109 N 0.00 0.23 0.00 0.07 1.57 -2.03 -3.48 116.57 112.92 2dj0 h LYS 109 Ca 0.11 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2dj0 h LYS 109 Cb 1.49 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.88 2dj0 h LYS 109 CO -0.00 1.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.29 2dj0 n GLY 110 N 1.15 0.93 3.30 3.86 0.00 0.13 -5.16 105.19 109.41 2dj0 n GLY 110 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.19 -0.36 1.61 1.70 -1.26 -4.93 118.95 116.90 2dj0 s ARG 111 Ca 0.00 -1.49 -0.18 0.00 -0.47 0.00 0.00 55.73 53.59 2dj0 s ARG 111 Cb 0.00 -0.91 -0.00 0.00 -0.57 0.00 0.00 34.95 33.47 2dj0 s ARG 111 CO 0.00 0.14 0.48 0.00 -1.08 0.00 0.00 175.30 174.85 2dj0 s ALA 112 N -3.00 3.47 0.18 7.88 0.00 -1.26 -2.58 121.76 126.45 2dj0 s ALA 112 Ca 0.19 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 2dj0 s ALA 112 Cb -0.00 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 2dj0 s ALA 112 CO 0.04 -1.25 1.36 0.08 0.00 0.00 0.00 175.76 176.00 2dj0 s VAL 113 N 2.31 3.11 -0.64 0.00 1.01 -1.22 -4.87 120.40 120.11 2dj0 s VAL 113 Ca 0.17 0.88 -0.26 0.00 0.00 0.00 0.00 61.98 62.77 2dj0 s VAL 113 Cb -0.16 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2dj0 s VAL 113 CO 0.13 0.11 2.06 -0.55 0.00 0.00 0.00 175.10 176.86 2dj0 s SER 114 N 0.58 4.92 -0.08 3.32 0.15 -1.26 -4.70 113.70 116.62 2dj0 s SER 114 Ca 0.60 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.61 2dj0 s SER 114 Cb -0.38 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.39 2dj0 s SER 114 CO 0.37 -2.69 -0.17 0.86 1.20 0.00 0.00 173.24 172.80 2dj0 s TRP 115 N 10.52 2.67 0.31 3.44 -0.00 -1.26 -5.10 118.94 129.51 2dj0 s TRP 115 Ca 0.77 -0.48 -0.29 0.00 -0.00 0.00 0.00 56.10 56.10 2dj0 s TRP 115 Cb -0.13 -1.69 -0.10 0.00 -0.00 0.00 0.00 33.47 31.55 2dj0 s TRP 115 CO 0.17 -0.06 1.27 0.99 -0.00 0.00 0.00 176.95 179.32 2dj0 s THR 116 N -0.20 2.89 -0.53 5.86 2.01 -1.26 -4.95 115.64 119.45 2dj0 s THR 116 Ca -0.01 0.89 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 2dj0 s THR 116 Cb -0.13 -3.57 0.14 0.00 0.01 0.00 0.00 72.50 68.95 2dj0 s THR 116 CO 0.03 0.21 0.38 -0.36 -0.69 0.00 0.00 174.62 174.19 2dj0 s PHE 117 N -1.06 3.49 0.08 4.92 0.40 -1.26 -4.78 117.98 119.78 2dj0 s PHE 117 Ca 0.49 -2.28 -0.07 0.00 -0.60 0.00 0.00 56.93 54.47 2dj0 s PHE 117 Cb -0.38 -3.37 -0.01 0.00 0.51 0.00 0.00 43.02 39.77 2dj0 s PHE 117 CO 0.50 -0.94 0.13 -1.54 0.70 0.00 0.00 175.22 174.06 2dj0 s SER 118 N 1.82 0.22 0.19 1.36 1.04 -1.26 -4.99 113.70 112.07 2dj0 s SER 118 Ca 0.11 -0.74 -0.12 0.00 0.48 0.00 0.00 55.95 55.68 2dj0 s SER 118 Cb -0.22 0.30 0.17 0.00 0.10 0.00 0.00 66.02 66.37 2dj0 s SER 118 CO -0.03 -0.69 1.79 -0.33 0.98 0.00 0.00 173.24 174.96 2dj0 h GLU 119 N 2.88 0.52 -0.40 4.02 5.08 -1.97 0.33 114.58 125.05 2dj0 h GLU 119 Ca -0.34 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2dj0 h GLU 119 Cb 1.18 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 2dj0 h GLU 119 CO 0.59 0.34 0.16 1.05 -1.00 0.00 0.00 179.01 180.15 2dj0 h GLU 120 N 0.53 0.33 0.34 2.33 4.11 -1.98 -0.40 114.58 119.84 2dj0 h GLU 120 Ca 0.24 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.64 2dj0 h GLU 120 Cb 0.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2dj0 h GLU 120 CO -0.17 0.22 -0.16 -0.91 0.07 0.00 0.00 179.01 178.06 2dj0 h ASN 121 N 0.34 -0.38 -0.91 3.06 2.35 -1.79 -2.58 115.58 115.67 2dj0 h ASN 121 Ca 0.18 0.01 0.16 0.00 -0.55 0.00 0.00 56.30 56.10 2dj0 h ASN 121 Cb 0.13 0.10 -0.16 0.00 0.05 0.00 0.00 38.32 38.44 2dj0 h ASN 121 CO -0.16 -0.11 -0.32 0.58 -1.65 0.00 0.00 177.43 175.77 2dj0 h VAL 122 N -0.79 0.05 -0.00 2.81 2.07 -0.37 1.49 116.25 121.51 2dj0 h VAL 122 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2dj0 h VAL 122 Cb 0.35 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2dj0 h VAL 122 CO 0.08 0.00 0.00 0.40 0.02 0.00 0.00 177.57 178.07 2dj0 h ILE 123 N -0.03 0.97 0.02 4.57 2.04 -1.16 0.06 117.51 123.98 2dj0 h ILE 123 Ca 0.36 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.22 2dj0 h ILE 123 Cb 0.62 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2dj0 h ILE 123 CO -0.93 0.00 -0.01 -0.09 0.00 0.00 0.00 178.15 177.12 2dj0 h ARG 124 N 0.00 -0.02 -0.33 2.37 2.43 0.23 -1.72 114.38 117.34 2dj0 h ARG 124 Ca 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2dj0 h ARG 124 Cb 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.48 2dj0 h ARG 124 CO -0.00 -0.01 -0.29 0.93 -1.51 0.00 0.00 179.97 179.09 2dj0 h GLU 125 N -0.50 -0.24 0.00 0.20 4.39 -0.26 0.43 114.58 118.59 2dj0 h GLU 125 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2dj0 h GLU 125 Cb 0.02 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2dj0 h GLU 125 CO 0.00 -0.16 0.00 1.19 -1.16 0.00 0.00 179.01 178.88 2dj0 n PHE 126 N -5.40 0.00 -4.23 4.33 3.72 0.00 -4.88 117.46 111.00 2dj0 n PHE 126 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 2dj0 n PHE 126 Cb 0.32 -0.27 -0.08 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.27 -0.81 0.04 4.37 3.02 0.15 -4.79 115.26 115.98 2dj0 n ASN 127 Ca 0.12 -1.14 -0.11 0.00 -0.03 0.00 0.00 54.58 53.41 2dj0 n ASN 127 Cb 0.18 -1.45 -0.04 0.00 -0.61 0.00 0.00 39.78 37.86 2dj0 n ASN 127 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dj0 h LEU 128 N -1.04 -0.76 -0.86 3.41 3.38 -1.71 -1.63 115.31 116.10 2dj0 h LEU 128 Ca -0.56 0.11 0.33 0.00 0.09 0.00 0.00 57.88 57.85 2dj0 h LEU 128 Cb 1.27 0.32 -0.16 0.00 0.09 0.00 0.00 40.66 42.18 2dj0 h LEU 128 CO 0.76 -0.31 0.36 0.59 0.09 0.00 0.00 178.44 179.93 2dj0 n ASN 129 N -5.37 0.21 -0.01 -0.43 3.02 -1.26 0.84 115.26 112.26 2dj0 n ASN 129 Ca -0.04 1.44 -0.13 0.00 -0.03 0.00 0.00 54.58 55.82 2dj0 n ASN 129 Cb 0.29 -0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.03 -0.01 3.52 4.39 -1.65 -3.34 114.58 117.46 2dj0 h GLU 130 Ca 0.68 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.40 2dj0 h GLU 130 Cb 1.74 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.37 2dj0 h GLU 130 CO -0.70 0.51 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.31 2dj0 h LEU 131 N -0.58 -0.88 -9.86 1.33 3.38 0.79 -3.42 115.31 106.07 2dj0 h LEU 131 Ca -0.00 0.10 -0.47 0.00 0.09 0.00 0.00 57.88 57.60 2dj0 h LEU 131 Cb 0.55 0.34 0.22 0.00 0.09 0.00 0.00 40.66 41.86 2dj0 h LEU 131 CO 0.00 -0.28 -0.61 -1.54 0.09 0.00 0.00 178.44 176.11 2dj0 n SER 132 N -4.06 -1.96 -1.78 -0.43 3.41 -0.50 -5.03 113.62 103.26 2dj0 n SER 132 Ca -0.04 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2dj0 n SER 132 Cb 0.21 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 1.53 0.75 3.56 5.00 0.00 -1.26 -4.93 105.19 109.84 2dj0 n GLY 133 Ca 0.03 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.28 2.83 -0.18 1.61 0.04 -1.26 -4.94 135.00 131.83 2dj0 s PRO 134 Ca 0.00 0.80 -0.04 0.00 0.04 0.00 0.00 61.00 61.80 2dj0 s PRO 134 Cb 0.00 -4.33 0.09 0.00 0.04 0.00 0.00 34.50 30.30 2dj0 s PRO 134 CO 0.00 -2.48 0.27 -1.12 0.04 0.00 0.00 177.00 173.71 2dj0 s SER 135 N 7.44 0.73 -0.16 6.66 0.01 -1.26 -5.04 113.70 122.08 2dj0 s SER 135 Ca 0.70 0.20 -0.22 0.00 1.31 0.00 0.00 55.95 57.94 2dj0 s SER 135 Cb -0.15 0.67 -0.23 0.00 0.21 0.00 0.00 66.02 66.51 2dj0 s SER 135 CO 0.24 -0.29 0.46 -1.28 0.41 0.00 0.00 173.24 172.79 2dj0 h SER 136 N 8.28 0.12 -0.03 2.44 0.87 -2.02 -3.53 113.55 119.68 2dj0 h SER 136 Ca -0.16 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2dj0 h SER 136 Cb 1.14 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2dj0 h SER 136 CO 0.22 1.41 0.00 0.61 -0.53 0.00 0.00 176.83 178.54