#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 4.42 -1.08 1.61 1.04 -1.26 -4.87 113.70 113.56 2dj0 s SER 2 Ca 0.00 -0.24 -0.18 0.00 0.48 0.00 0.00 55.95 56.01 2dj0 s SER 2 Cb 0.00 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.68 2dj0 s SER 2 CO 0.00 -3.40 1.37 -0.44 0.98 0.00 0.00 173.24 171.76 2dj0 s SER 3 N 9.69 6.76 0.00 7.02 0.01 -1.26 -4.46 113.70 131.46 2dj0 s SER 3 Ca 0.83 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 55.82 2dj0 s SER 3 Cb -0.10 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2dj0 s SER 3 CO 0.05 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.23 2dj0 n GLY 4 N 5.35 -1.30 2.85 3.44 0.00 -1.26 -5.06 105.19 109.21 2dj0 n GLY 4 Ca 0.33 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.50 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 4.13 0.30 1.61 0.15 -1.26 -5.10 113.70 109.52 2dj0 s SER 5 Ca 0.00 -2.51 -0.21 0.00 0.70 0.00 0.00 55.95 53.94 2dj0 s SER 5 Cb 0.00 -1.31 -0.14 0.00 -1.71 0.00 0.00 66.02 62.86 2dj0 s SER 5 CO 0.00 -0.30 0.20 -1.54 1.20 0.00 0.00 173.24 172.80 2dj0 n SER 6 N 3.74 -2.07 0.00 5.45 3.41 -1.26 -4.80 113.62 118.09 2dj0 n SER 6 Ca 0.05 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 2dj0 n SER 6 Cb 0.36 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2dj0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj0 n GLY 7 N 1.97 0.56 2.97 5.00 0.00 -1.26 -5.09 105.19 109.33 2dj0 n GLY 7 Ca 0.12 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 1.70 0.04 1.61 1.13 -1.26 -5.13 117.35 115.43 2dj0 s TYR 8 Ca 0.00 -0.84 0.05 0.00 -1.41 0.00 0.00 57.07 54.86 2dj0 s TYR 8 Cb 0.00 -1.32 -0.04 0.00 -1.10 0.00 0.00 41.96 39.51 2dj0 s TYR 8 CO 0.00 -0.51 -0.09 0.42 -2.51 0.00 0.00 175.55 172.86 2dj0 s ILE 9 N 1.43 3.48 -0.71 -3.49 1.01 -1.26 -4.82 121.20 116.84 2dj0 s ILE 9 Ca 0.01 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.50 2dj0 s ILE 9 Cb -0.13 -2.54 0.10 0.00 0.01 0.00 0.00 42.46 39.90 2dj0 s ILE 9 CO -0.06 0.31 0.91 -0.75 0.00 0.00 0.00 174.94 175.34 2dj0 s LYS 10 N -1.64 3.23 0.92 2.79 2.47 -0.49 -4.98 119.74 122.05 2dj0 s LYS 10 Ca 0.18 -1.30 -0.12 0.00 -1.56 0.00 0.00 55.97 53.17 2dj0 s LYS 10 Cb -0.11 -4.42 0.15 0.00 -1.46 0.00 0.00 37.83 31.99 2dj0 s LYS 10 CO 0.09 -1.69 1.09 0.71 0.16 0.00 0.00 175.35 175.72 2dj0 s TYR 11 N 3.08 2.28 0.03 4.03 1.51 -1.26 -3.10 117.35 123.92 2dj0 s TYR 11 Ca 0.21 1.15 -0.14 0.00 -1.01 0.00 0.00 57.07 57.28 2dj0 s TYR 11 Cb -0.16 -3.20 0.02 0.00 -0.11 0.00 0.00 41.96 38.51 2dj0 s TYR 11 CO 0.03 -2.52 0.30 -0.06 -1.11 0.00 0.00 175.55 172.19 2dj0 s PHE 12 N -2.97 -0.11 0.54 2.71 0.08 -0.82 -4.81 117.98 112.61 2dj0 s PHE 12 Ca 0.64 0.02 0.08 0.00 0.12 0.00 0.00 56.93 57.78 2dj0 s PHE 12 Cb -0.18 0.09 0.09 0.00 -0.57 0.00 0.00 43.02 42.45 2dj0 s PHE 12 CO 0.57 -0.48 0.75 -1.71 -0.10 0.00 0.00 175.22 174.25 2dj0 n ASN 13 N 0.73 1.83 0.22 1.36 5.15 -1.26 -4.62 115.26 118.68 2dj0 n ASN 13 Ca -0.19 -2.35 0.08 0.00 -0.60 0.00 0.00 54.58 51.51 2dj0 n ASN 13 Cb 0.59 -0.41 0.49 0.00 -0.53 0.00 0.00 39.78 39.91 2dj0 n ASN 13 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2dj0 h ASP 14 N 0.01 0.00 0.00 1.20 3.58 -1.98 -2.48 116.42 116.75 2dj0 h ASP 14 Ca -0.25 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.11 2dj0 h ASP 14 Cb 1.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 2dj0 h ASP 14 CO 0.35 0.27 -1.17 0.29 -2.88 0.00 0.00 179.24 176.09 2dj0 n LYS 15 N -3.66 0.47 -0.25 0.28 5.02 -1.26 -4.61 118.16 114.15 2dj0 n LYS 15 Ca -0.01 0.19 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 2dj0 n LYS 15 Cb 0.39 -1.32 0.15 0.00 -0.02 0.00 0.00 35.03 34.23 2dj0 n LYS 15 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2dj0 h THR 16 N -0.87 0.39 -1.47 -0.18 1.35 -1.96 0.27 112.91 110.43 2dj0 h THR 16 Ca -0.13 -0.04 0.43 0.00 -0.55 0.00 0.00 66.41 66.12 2dj0 h THR 16 Cb 1.01 0.25 -0.06 0.00 -1.73 0.00 0.00 68.15 67.62 2dj0 h THR 16 CO -0.08 0.02 1.30 -0.29 -0.25 0.00 0.00 175.52 176.23 2dj0 h ILE 17 N 0.13 0.02 0.00 6.82 2.10 -1.70 0.17 117.51 125.04 2dj0 h ILE 17 Ca 0.40 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.34 2dj0 h ILE 17 Cb 0.69 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.44 2dj0 h ILE 17 CO -0.62 0.00 -0.19 -0.78 -1.08 0.00 0.00 178.15 175.48 2dj0 h ASP 18 N 0.00 0.00 -0.96 2.19 1.82 -0.73 -2.89 116.42 115.84 2dj0 h ASP 18 Ca 0.70 0.00 0.23 0.00 -0.39 0.00 0.00 57.03 57.57 2dj0 h ASP 18 Cb 3.30 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 43.19 2dj0 h ASP 18 CO -0.01 0.55 0.53 1.05 -1.61 0.00 0.00 179.24 179.76 2dj0 h GLU 19 N -0.92 0.54 0.50 0.28 4.11 -0.85 0.49 114.58 118.72 2dj0 h GLU 19 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 2dj0 h GLU 19 Cb 0.19 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2dj0 h GLU 19 CO 0.00 0.36 -0.24 1.49 0.07 0.00 0.00 179.01 180.69 2dj0 h GLU 20 N 0.55 -0.65 -0.29 1.06 4.57 -0.95 -2.23 114.58 116.65 2dj0 h GLU 20 Ca 0.60 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.91 2dj0 h GLU 20 Cb 1.11 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 2dj0 h GLU 20 CO -0.47 -0.35 0.21 -0.07 -1.18 0.00 0.00 179.01 177.15 2dj0 h LEU 21 N -1.04 0.00 -0.36 1.64 3.38 -1.14 0.22 115.31 118.01 2dj0 h LEU 21 Ca -0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 2dj0 h LEU 21 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2dj0 h LEU 21 CO 0.11 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 178.29 2dj0 h GLU 22 N 0.00 0.83 0.02 1.13 4.81 0.02 0.08 114.58 121.47 2dj0 h GLU 22 Ca 0.14 -0.40 -0.21 0.00 -0.13 0.00 0.00 59.36 58.76 2dj0 h GLU 22 Cb 0.56 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2dj0 h GLU 22 CO -0.00 1.04 -0.97 0.07 -0.73 0.00 0.00 179.01 178.42 2dj0 h ARG 23 N 0.62 0.07 -0.72 1.92 0.11 -0.58 -3.20 114.38 112.60 2dj0 h ARG 23 Ca 0.07 -0.10 -0.19 0.00 0.10 0.00 0.00 59.98 59.86 2dj0 h ARG 23 Cb 0.85 0.03 -0.11 0.00 1.11 0.00 0.00 29.97 31.85 2dj0 h ARG 23 CO 0.07 0.98 0.24 -0.25 0.10 0.00 0.00 179.97 181.11 2dj0 n ASP 24 N -3.48 4.95 0.01 0.08 8.00 0.67 -4.67 116.55 122.10 2dj0 n ASP 24 Ca -0.02 -3.20 -0.10 0.00 0.71 0.00 0.00 54.79 52.19 2dj0 n ASP 24 Cb 0.89 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 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 2.82 -0.37 -1.01 -1.24 1.57 -0.97 0.18 116.57 117.54 2dj0 h LYS 25 Ca 0.23 0.03 0.29 0.00 -1.87 0.00 0.00 60.65 59.33 2dj0 h LYS 25 Cb 2.30 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 34.65 2dj0 h LYS 25 CO 0.71 -0.25 1.08 0.07 -0.57 0.00 0.00 179.45 180.49 2dj0 h ARG 26 N -0.39 0.00 -5.74 3.15 0.11 -1.87 -2.96 114.38 106.68 2dj0 h ARG 26 Ca 0.02 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.46 2dj0 h ARG 26 Cb 0.44 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.45 2dj0 h ARG 26 CO -0.26 0.00 -0.35 0.08 0.10 0.00 0.00 179.97 179.54 2dj0 s VAL 27 N -4.53 5.29 -0.08 0.08 1.01 0.62 -4.84 120.40 117.95 2dj0 s VAL 27 Ca -0.03 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2dj0 s VAL 27 Cb 0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2dj0 s VAL 27 CO 0.53 0.56 1.12 -0.89 0.00 0.00 0.00 175.10 176.42 2dj0 s THR 28 N -0.75 4.48 -0.11 3.92 2.01 -1.26 -4.44 115.64 119.49 2dj0 s THR 28 Ca 0.18 1.78 0.03 0.00 0.31 0.00 0.00 61.69 64.00 2dj0 s THR 28 Cb -0.14 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2dj0 s THR 28 CO 0.07 -0.00 -0.22 0.26 -0.69 0.00 0.00 174.62 174.04 2dj0 s TRP 29 N 2.16 2.61 -0.33 4.92 0.52 -1.08 -3.97 118.94 123.77 2dj0 s TRP 29 Ca 0.52 -1.10 -0.04 0.00 0.02 0.00 0.00 56.10 55.50 2dj0 s TRP 29 Cb -0.22 -1.75 0.05 0.00 -1.15 0.00 0.00 33.47 30.40 2dj0 s TRP 29 CO 0.20 -0.46 0.08 -1.50 0.02 0.00 0.00 176.95 175.29 2dj0 s ILE 30 N 0.48 3.44 -0.15 2.03 2.07 -1.23 -2.29 121.20 125.54 2dj0 s ILE 30 Ca -0.15 -1.33 -0.06 0.00 -1.41 0.00 0.00 60.65 57.70 2dj0 s ILE 30 Cb -0.17 -3.00 -0.04 0.00 0.13 0.00 0.00 42.46 39.38 2dj0 s ILE 30 CO 0.06 -0.21 0.05 -0.69 -1.91 0.00 0.00 174.94 172.24 2dj0 s VAL 31 N 1.32 4.74 -0.41 4.00 1.01 -1.22 -2.05 120.40 127.78 2dj0 s VAL 31 Ca -0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 2dj0 s VAL 31 Cb -0.20 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.14 2dj0 s VAL 31 CO 0.01 0.51 0.27 -0.70 0.00 0.00 0.00 175.10 175.19 2dj0 s GLU 32 N -0.04 2.79 -0.16 2.72 2.12 -0.96 -3.32 118.70 121.85 2dj0 s GLU 32 Ca 0.06 -1.26 -0.29 0.00 0.36 0.00 0.00 54.97 53.84 2dj0 s GLU 32 Cb -0.12 -3.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.40 2dj0 s GLU 32 CO 0.01 -0.86 1.21 -0.06 -0.54 0.00 0.00 175.26 175.02 2dj0 s PHE 33 N 1.54 2.99 0.17 5.30 0.40 0.00 -3.58 117.98 124.81 2dj0 s PHE 33 Ca 0.03 1.13 0.01 0.00 -0.60 0.00 0.00 56.93 57.50 2dj0 s PHE 33 Cb -0.21 -3.44 -0.05 0.00 0.51 0.00 0.00 43.02 39.83 2dj0 s PHE 33 CO 0.05 -1.40 0.01 -0.59 0.70 0.00 0.00 175.22 174.00 2dj0 s PHE 34 N 3.26 1.19 0.04 0.36 -0.12 -1.22 -1.60 117.98 119.89 2dj0 s PHE 34 Ca 0.53 -1.05 0.07 0.00 -0.05 0.00 0.00 56.93 56.42 2dj0 s PHE 34 Cb -0.21 -0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 41.48 2dj0 s PHE 34 CO 0.14 -0.25 -0.20 0.00 -0.05 0.00 0.00 175.22 174.86 2dj0 s ALA 35 N -3.71 1.69 0.35 1.99 0.00 -1.26 -0.66 121.76 120.15 2dj0 s ALA 35 Ca 0.25 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2dj0 s ALA 35 Cb 0.06 -0.32 0.64 0.00 0.00 0.00 0.00 23.12 23.50 2dj0 s ALA 35 CO 0.04 0.37 1.99 -2.95 0.00 0.00 0.00 175.76 175.22 2dj0 h ASN 36 N 4.87 0.74 -0.39 0.00 -1.07 -1.96 -0.91 115.58 116.87 2dj0 h ASN 36 Ca -0.42 -0.01 -0.18 0.00 0.07 0.00 0.00 56.30 55.76 2dj0 h ASN 36 Cb 1.16 -0.18 -0.11 0.00 -2.07 0.00 0.00 38.32 37.13 2dj0 h ASN 36 CO 0.44 0.52 0.23 -2.67 0.07 0.00 0.00 177.43 176.01 2dj0 n TRP 37 N -4.45 1.21 -3.86 4.14 4.27 -1.26 -4.69 117.44 112.80 2dj0 n TRP 37 Ca 0.08 -0.93 -0.33 0.00 -3.89 0.00 0.00 57.50 52.43 2dj0 n TRP 37 Cb 0.09 -0.49 -0.12 0.00 -1.36 0.00 0.00 31.31 29.42 2dj0 n TRP 37 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2dj0 s SER 38 N -0.02 4.79 0.20 -0.67 0.15 -0.35 -4.94 113.70 112.86 2dj0 s SER 38 Ca 0.24 -2.72 -0.08 0.00 0.70 0.00 0.00 55.95 54.08 2dj0 s SER 38 Cb 0.20 -1.73 0.12 0.00 -1.71 0.00 0.00 66.02 62.89 2dj0 s SER 38 CO 0.05 -0.33 1.72 0.78 1.20 0.00 0.00 173.24 176.66 2dj0 h ASN 39 N 7.01 1.09 -0.99 5.45 2.35 -1.85 -2.59 115.58 126.06 2dj0 h ASN 39 Ca -0.06 -0.23 0.25 0.00 -0.55 0.00 0.00 56.30 55.72 2dj0 h ASN 39 Cb 0.95 -0.29 -0.07 0.00 0.05 0.00 0.00 38.32 38.96 2dj0 h ASN 39 CO 0.67 1.03 0.66 0.44 -1.65 0.00 0.00 177.43 178.59 2dj0 h ASP 40 N 1.09 0.30 -0.22 5.81 3.32 -1.94 0.41 116.42 125.19 2dj0 h ASP 40 Ca 0.23 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 2dj0 h ASP 40 Cb 0.36 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2dj0 h ASP 40 CO 0.00 0.09 -0.02 0.00 -1.72 0.00 0.00 179.24 177.58 2dj0 h GLN 42 N 0.50 0.00 0.00 0.00 3.07 -0.26 0.48 115.11 118.90 2dj0 h GLN 42 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.76 2dj0 h GLN 42 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 2dj0 h GLN 42 CO 0.01 0.00 -0.39 1.03 0.09 0.00 0.00 178.83 179.57 2dj0 h SER 43 N 0.00 0.00 -0.06 0.06 0.87 -1.48 -2.93 113.55 110.01 2dj0 h SER 43 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2dj0 h SER 43 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2dj0 h SER 43 CO -0.00 0.39 0.00 0.33 -0.53 0.00 0.00 176.83 177.02 2dj0 n PHE 44 N -3.45 0.04 0.34 2.24 7.35 0.15 -4.40 117.46 119.74 2dj0 n PHE 44 Ca 0.00 -0.02 -0.18 0.00 -0.76 0.00 0.00 57.45 56.49 2dj0 n PHE 44 Cb 0.55 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.29 2dj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj0 h ALA 45 N 4.69 -1.09 -0.15 3.13 0.00 -0.97 -0.70 119.26 124.16 2dj0 h ALA 45 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2dj0 h ALA 45 Cb 0.98 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2dj0 h ALA 45 CO 0.00 -1.14 -0.15 -1.00 0.00 0.00 0.00 179.25 176.96 2dj0 h PRO 46 N -1.02 0.37 -0.93 0.00 0.13 -1.79 -2.82 132.00 125.93 2dj0 h PRO 46 Ca -0.07 -0.19 0.15 0.00 -0.87 0.00 0.00 66.00 65.01 2dj0 h PRO 46 Cb 0.85 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.90 2dj0 h PRO 46 CO 0.02 0.75 0.54 0.82 -0.23 0.00 0.00 178.00 179.90 2dj0 h ILE 47 N -0.00 0.79 -0.42 -3.56 2.04 -1.76 -0.92 117.51 113.67 2dj0 h ILE 47 Ca 0.02 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 2dj0 h ILE 47 Cb 0.68 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2dj0 h ILE 47 CO 0.04 0.14 -0.14 0.22 0.00 0.00 0.00 178.15 178.41 2dj0 h TYR 48 N 0.78 0.95 -0.46 1.37 3.20 -1.11 -2.79 116.97 118.90 2dj0 h TYR 48 Ca 0.50 -0.22 0.08 0.00 3.14 0.00 0.00 58.73 62.23 2dj0 h TYR 48 Cb 0.66 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.63 2dj0 h TYR 48 CO -0.04 0.97 0.08 0.00 -1.64 0.00 0.00 178.16 177.53 2dj0 h ALA 49 N 0.84 0.50 0.41 1.82 0.00 -0.92 0.79 119.26 122.70 2dj0 h ALA 49 Ca 0.10 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dj0 h ALA 49 Cb 0.68 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2dj0 h ALA 49 CO 0.05 -0.32 -0.20 0.22 0.00 0.00 0.00 179.25 179.00 2dj0 h ASP 50 N 0.21 -0.47 0.33 0.00 1.82 -1.36 -2.44 116.42 114.51 2dj0 h ASP 50 Ca 0.23 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.88 2dj0 h ASP 50 Cb 0.30 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 2dj0 h ASP 50 CO -0.31 -0.32 -0.47 -0.07 -1.61 0.00 0.00 179.24 176.45 2dj0 h LEU 51 N -0.57 -1.34 -0.42 2.28 3.38 -1.19 -2.33 115.31 115.11 2dj0 h LEU 51 Ca -0.06 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2dj0 h LEU 51 Cb 0.43 0.47 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2dj0 h LEU 51 CO 0.09 -0.59 -0.33 0.77 0.09 0.00 0.00 178.44 178.47 2dj0 h SER 52 N -0.85 -1.17 -0.82 -0.43 4.64 -0.85 0.11 113.55 114.19 2dj0 h SER 52 Ca -0.03 0.17 0.10 0.00 -0.47 0.00 0.00 61.79 61.56 2dj0 h SER 52 Cb 0.79 0.50 -0.12 0.00 -0.31 0.00 0.00 62.40 63.25 2dj0 h SER 52 CO -0.15 -0.18 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.09 2dj0 h LEU 53 N -0.10 -1.73 0.02 5.97 3.38 -1.33 1.43 115.31 122.95 2dj0 h LEU 53 Ca 0.07 0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.36 2dj0 h LEU 53 Cb 0.28 0.80 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 2dj0 h LEU 53 CO -0.45 -0.29 -0.39 0.50 0.09 0.00 0.00 178.44 177.89 2dj0 h LYS 54 N -0.10 -0.54 -0.70 1.13 3.64 -0.66 0.84 116.57 120.18 2dj0 h LYS 54 Ca 0.21 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2dj0 h LYS 54 Cb 0.53 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2dj0 h LYS 54 CO -0.85 -0.36 0.00 0.66 -2.27 0.00 0.00 179.45 176.63 2dj0 n TYR 55 N -5.44 0.21 -2.92 1.91 4.01 0.28 -4.03 117.16 111.17 2dj0 n TYR 55 Ca -0.06 -0.08 -0.25 0.00 -0.16 0.00 0.00 57.90 57.36 2dj0 n TYR 55 Cb 0.36 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 2dj0 n TYR 55 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2dj0 n ASN 56 N -0.02 3.77 0.00 7.72 5.15 0.48 -3.84 115.26 128.51 2dj0 n ASN 56 Ca 0.03 -3.54 0.00 0.00 -0.60 0.00 0.00 54.58 50.47 2dj0 n ASN 56 Cb 0.28 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 2dj0 n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dj0 n THR 58 N -1.53 0.00 0.00 0.00 5.66 -1.26 -5.04 114.28 112.11 2dj0 n THR 58 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2dj0 n THR 58 Cb 0.00 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.55 2dj0 n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dj0 n GLY 59 N 1.55 0.24 3.57 1.09 0.00 -1.26 -4.96 105.19 105.43 2dj0 n GLY 59 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 2dj0 n GLY 59 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dj0 n LEU 60 N 0.00 1.20 -4.41 0.99 7.94 -1.26 -4.97 117.00 116.50 2dj0 n LEU 60 Ca 0.00 1.13 -0.22 0.00 -1.11 0.00 0.00 56.01 55.81 2dj0 n LEU 60 Cb 0.00 -1.11 -0.10 0.00 0.53 0.00 0.00 43.42 42.73 2dj0 n LEU 60 CO 0.00 -1.27 -0.47 0.20 -1.11 0.00 0.00 177.39 174.74 2dj0 s ASN 61 N 0.42 3.14 -0.09 1.96 0.01 -1.25 -3.65 114.94 115.49 2dj0 s ASN 61 Ca 0.87 -0.99 0.04 0.00 -0.71 0.00 0.00 52.86 52.07 2dj0 s ASN 61 Cb -1.05 -0.23 -0.00 0.00 0.41 0.00 0.00 41.25 40.38 2dj0 s ASN 61 CO 0.50 -0.03 -0.24 -0.36 -1.51 0.00 0.00 177.10 175.47 2dj0 s PHE 62 N -2.52 2.55 0.35 2.20 0.40 -1.26 -3.51 117.98 116.19 2dj0 s PHE 62 Ca 0.25 -0.97 0.03 0.00 -0.60 0.00 0.00 56.93 55.64 2dj0 s PHE 62 Cb -0.04 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 2dj0 s PHE 62 CO 0.11 -0.37 0.11 0.20 0.70 0.00 0.00 175.22 175.97 2dj0 s GLY 63 N 0.25 2.24 0.22 4.36 0.00 -0.87 -1.40 107.32 112.13 2dj0 s GLY 63 Ca -0.16 -1.65 -0.10 0.00 0.00 0.00 0.00 44.72 42.81 2dj0 s GLY 63 CO 0.08 -1.75 0.37 0.54 0.00 0.00 0.00 173.10 172.34 2dj0 s LYS 64 N -3.82 1.39 -0.30 2.90 1.02 -1.18 -2.26 119.74 117.48 2dj0 s LYS 64 Ca 0.31 -1.29 -0.10 0.00 0.02 0.00 0.00 55.97 54.91 2dj0 s LYS 64 Cb 0.05 0.42 0.16 0.00 -0.52 0.00 0.00 37.83 37.94 2dj0 s LYS 64 CO 0.15 -0.55 0.83 0.54 -0.92 0.00 0.00 175.35 175.40 2dj0 s VAL 65 N -4.03 -0.71 -0.47 3.17 0.11 -1.23 -1.93 120.40 115.31 2dj0 s VAL 65 Ca 0.24 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.01 2dj0 s VAL 65 Cb 0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2dj0 s VAL 65 CO 0.07 0.00 1.89 1.51 -3.33 0.00 0.00 175.10 175.24 2dj0 s ASP 66 N 2.74 5.48 0.13 3.54 1.47 -1.26 -3.38 116.67 125.38 2dj0 s ASP 66 Ca 0.02 0.86 0.11 0.00 1.18 0.00 0.00 52.55 54.72 2dj0 s ASP 66 Cb -0.10 -2.52 -0.13 0.00 -0.34 0.00 0.00 42.92 39.82 2dj0 s ASP 66 CO -0.18 -2.12 1.18 -0.37 0.68 0.00 0.00 175.17 174.37 2dj0 h VAL 67 N 6.93 1.23 -0.03 2.11 -1.51 -1.18 -2.92 116.25 120.89 2dj0 h VAL 67 Ca -0.29 -2.85 0.01 0.00 -1.23 0.00 0.00 66.70 62.34 2dj0 h VAL 67 Cb 1.18 2.58 -0.00 0.00 -2.13 0.00 0.00 31.29 32.92 2dj0 h VAL 67 CO 1.13 0.70 0.10 1.23 -1.23 0.00 0.00 177.57 179.50 2dj0 h GLY 68 N 3.28 0.00 0.00 5.19 0.00 -1.87 -2.35 103.07 107.33 2dj0 h GLY 68 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.02 2dj0 h GLY 68 CO 0.10 0.00 -1.90 -2.13 0.00 0.00 0.00 176.54 172.61 2dj0 n ARG 69 N -3.21 1.76 -3.35 4.80 3.00 -1.24 -4.78 116.66 113.64 2dj0 n ARG 69 Ca -0.02 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.38 2dj0 n ARG 69 Cb 0.18 -1.33 -0.01 0.00 0.00 0.00 0.00 32.46 31.30 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 -2.32 4.18 0.60 -0.14 1.51 -0.88 -4.85 117.35 115.45 2dj0 s TYR 70 Ca -0.08 -2.60 0.35 0.00 -1.01 0.00 0.00 57.07 53.74 2dj0 s TYR 70 Cb 0.04 -3.81 2.03 0.00 -0.11 0.00 0.00 41.96 40.11 2dj0 s TYR 70 CO 0.52 -0.95 2.29 0.00 -1.11 0.00 0.00 175.55 176.30 2dj0 h THR 71 N 3.87 0.32 -0.61 -0.71 1.03 -1.87 -1.63 112.91 113.32 2dj0 h THR 71 Ca 0.17 -0.04 -0.06 0.00 -0.01 0.00 0.00 66.41 66.46 2dj0 h THR 71 Cb 0.90 1.03 -0.03 0.00 -1.07 0.00 0.00 68.15 68.98 2dj0 h THR 71 CO 0.96 0.01 0.12 -0.78 -0.01 0.00 0.00 175.52 175.82 2dj0 h ASP 72 N 0.00 0.91 0.21 0.00 1.82 -1.90 -3.00 116.42 114.46 2dj0 h ASP 72 Ca -0.00 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 2dj0 h ASP 72 Cb 0.03 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.80 2dj0 h ASP 72 CO 0.00 0.90 -0.10 0.58 -1.61 0.00 0.00 179.24 179.01 2dj0 h VAL 73 N 0.92 0.00 -0.27 2.25 2.07 -1.65 -2.98 116.25 116.58 2dj0 h VAL 73 Ca 0.19 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2dj0 h VAL 73 Cb 0.37 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2dj0 h VAL 73 CO 0.01 0.00 -0.16 -1.54 0.02 0.00 0.00 177.57 175.90 2dj0 n SER 74 N -3.77 -0.29 -0.28 0.57 3.41 -1.15 0.22 113.62 112.33 2dj0 n SER 74 Ca -0.03 0.92 0.20 0.00 -0.26 0.00 0.00 58.87 59.70 2dj0 n SER 74 Cb 0.11 -0.28 0.50 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.62 -0.51 6.66 2.02 -1.60 0.28 112.91 120.38 2dj0 h THR 75 Ca 0.04 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 2dj0 h THR 75 Cb 0.11 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 2dj0 h THR 75 CO -0.25 0.08 -0.13 -0.09 0.37 0.00 0.00 175.52 175.49 2dj0 h ARG 76 N 0.42 0.97 -0.88 6.66 2.43 0.28 -2.76 114.38 121.50 2dj0 h ARG 76 Ca 0.52 -0.36 -0.26 0.00 -0.81 0.00 0.00 59.98 59.07 2dj0 h ARG 76 Cb 1.30 -0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.63 2dj0 h ARG 76 CO -0.22 1.03 0.33 0.66 -1.51 0.00 0.00 179.97 180.26 2dj0 n TYR 77 N -4.14 2.17 -3.82 2.20 4.02 0.69 -4.89 117.16 113.39 2dj0 n TYR 77 Ca 0.01 -1.21 -0.30 0.00 -0.01 0.00 0.00 57.90 56.39 2dj0 n TYR 77 Cb 0.41 -0.67 -0.02 0.00 -0.02 0.00 0.00 39.34 39.04 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 -0.33 -2.98 -4.30 -0.72 4.01 -0.53 -4.92 118.16 108.38 2dj0 n LYS 78 Ca 0.38 0.36 -0.34 0.00 -0.51 0.00 0.00 58.31 58.20 2dj0 n LYS 78 Cb 1.28 -5.05 -0.11 0.00 -0.51 0.00 0.00 35.03 30.64 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 -3.06 4.22 -0.20 -0.18 1.01 0.66 -4.98 120.40 117.87 2dj0 s VAL 79 Ca 0.58 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 2dj0 s VAL 79 Cb -0.32 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2dj0 s VAL 79 CO 0.71 0.52 0.67 -0.44 0.00 0.00 0.00 175.10 176.56 2dj0 s SER 80 N 0.00 6.71 -0.17 3.32 0.01 -1.26 -3.70 113.70 118.62 2dj0 s SER 80 Ca 0.03 0.87 0.09 0.00 1.31 0.00 0.00 55.95 58.24 2dj0 s SER 80 Cb -0.13 -2.37 0.54 0.00 0.21 0.00 0.00 66.02 64.28 2dj0 s SER 80 CO 0.02 -0.32 1.37 0.35 0.41 0.00 0.00 173.24 175.07 2dj0 n THR 81 N 4.80 1.92 -2.75 1.44 -2.24 -1.26 -4.67 114.28 111.52 2dj0 n THR 81 Ca -0.00 -0.97 -0.41 0.00 -2.27 0.00 0.00 64.05 60.40 2dj0 n THR 81 Cb 0.49 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 2dj0 n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dj0 s SER 82 N -0.52 7.52 0.00 3.42 0.15 -1.26 -4.93 113.70 118.08 2dj0 s SER 82 Ca 0.37 1.81 0.15 0.00 0.70 0.00 0.00 55.95 58.98 2dj0 s SER 82 Cb 0.28 -2.59 0.68 0.00 -1.71 0.00 0.00 66.02 62.69 2dj0 s SER 82 CO 0.10 0.01 1.43 -0.81 1.20 0.00 0.00 173.24 175.17 2dj0 n PRO 83 N 2.40 0.11 -0.88 5.44 -0.04 -1.26 -2.42 135.00 138.35 2dj0 n PRO 83 Ca 0.01 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 2dj0 n PRO 83 Cb 0.49 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.64 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 4.28 -4.37 1.53 4.77 -1.26 -5.00 117.00 115.56 2dj0 n LEU 84 Ca 0.05 -3.84 -0.19 0.00 -0.03 0.00 0.00 56.01 52.00 2dj0 n LEU 84 Cb 0.14 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 2dj0 n LEU 84 CO 0.12 1.31 -0.38 0.28 -1.33 0.00 0.00 177.39 177.40 2dj0 s THR 85 N -3.34 1.47 -0.69 -5.08 -1.32 -1.01 -5.07 115.64 100.60 2dj0 s THR 85 Ca 0.46 -2.11 0.01 0.00 -1.21 0.00 0.00 61.69 58.83 2dj0 s THR 85 Cb 0.41 -2.28 0.38 0.00 -1.51 0.00 0.00 72.50 69.49 2dj0 s THR 85 CO -0.00 -0.41 1.60 0.29 -2.21 0.00 0.00 174.62 173.88 2dj0 n LYS 86 N -0.46 3.22 -0.47 7.08 4.76 -1.26 -4.61 118.16 126.42 2dj0 n LYS 86 Ca -0.06 -4.06 0.07 0.00 -2.87 0.00 0.00 58.31 51.39 2dj0 n LYS 86 Cb 0.63 -2.27 0.19 0.00 -1.84 0.00 0.00 35.03 31.73 2dj0 n LYS 86 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dj0 n GLN 87 N -0.47 1.48 -3.67 1.97 1.13 -1.26 -4.73 117.38 111.83 2dj0 n GLN 87 Ca 0.46 -3.09 -0.09 0.00 -1.94 0.00 0.00 57.00 52.35 2dj0 n GLN 87 Cb 0.41 -1.56 -0.09 0.00 0.11 0.00 0.00 30.24 29.11 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 -3.09 -0.48 0.00 1.08 1.43 -1.26 -4.30 118.68 112.05 2dj0 s LEU 88 Ca 0.36 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 2dj0 s LEU 88 Cb 0.34 1.75 0.17 0.00 0.03 0.00 0.00 46.19 48.48 2dj0 s LEU 88 CO -0.04 -0.21 0.60 -0.81 0.23 0.00 0.00 176.35 176.11 2dj0 n PRO 89 N 4.44 -2.19 -3.69 1.29 -0.04 -1.26 -4.88 135.00 128.67 2dj0 n PRO 89 Ca -0.20 -0.96 -0.10 0.00 -0.04 0.00 0.00 63.50 62.20 2dj0 n PRO 89 Cb 0.56 -0.90 -0.11 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.08 -0.02 -0.12 0.52 2.01 -0.63 -4.59 115.64 110.72 2dj0 s THR 90 Ca 0.39 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 2dj0 s THR 90 Cb -0.04 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 2dj0 s THR 90 CO 0.30 0.04 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.40 2dj0 s LEU 91 N 1.39 2.88 -0.04 4.42 1.43 -0.76 -0.82 118.68 127.18 2dj0 s LEU 91 Ca -0.09 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2dj0 s LEU 91 Cb -0.08 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.52 2dj0 s LEU 91 CO -0.13 0.21 -0.00 -0.63 0.23 0.00 0.00 176.35 176.03 2dj0 s ILE 92 N 0.10 0.27 -0.20 -0.59 1.01 -1.21 -1.52 121.20 119.06 2dj0 s ILE 92 Ca -0.04 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 2dj0 s ILE 92 Cb -0.14 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 2dj0 s ILE 92 CO 0.04 0.19 0.38 -0.22 0.00 0.00 0.00 174.94 175.33 2dj0 s LEU 93 N 1.34 4.16 -0.30 2.97 2.96 -0.97 -3.44 118.68 125.41 2dj0 s LEU 93 Ca -0.05 0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 54.29 2dj0 s LEU 93 Cb -0.13 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.08 2dj0 s LEU 93 CO -0.02 -0.05 0.09 -0.36 -1.32 0.00 0.00 176.35 174.69 2dj0 s PHE 94 N 1.20 3.15 -0.95 5.38 0.08 -0.97 -1.02 117.98 124.86 2dj0 s PHE 94 Ca 0.18 -0.89 -0.01 0.00 0.12 0.00 0.00 56.93 56.33 2dj0 s PHE 94 Cb -0.15 -2.27 0.30 0.00 -0.57 0.00 0.00 43.02 40.34 2dj0 s PHE 94 CO 0.08 -0.55 1.39 1.04 -0.10 0.00 0.00 175.22 177.07 2dj0 n GLN 95 N 4.89 4.26 -0.80 0.44 6.02 -0.40 -2.62 117.38 129.17 2dj0 n GLN 95 Ca -0.14 -4.63 0.00 0.00 -0.01 0.00 0.00 57.00 52.21 2dj0 n GLN 95 Cb 0.48 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.31 2dj0 n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dj0 n GLY 96 N 0.79 0.94 2.21 1.08 0.00 -1.12 -4.21 105.19 104.88 2dj0 n GLY 96 Ca 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.18 3.12 3.91 -0.02 0.00 -1.26 -4.90 105.19 105.86 2dj0 n GLY 97 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.44 3.60 -0.39 1.61 -0.14 -1.26 -5.05 119.74 117.67 2dj0 s LYS 98 Ca 0.00 -0.10 -0.20 0.00 -1.36 0.00 0.00 55.97 54.31 2dj0 s LYS 98 Cb 0.00 -2.71 0.01 0.00 -1.68 0.00 0.00 37.83 33.45 2dj0 s LYS 98 CO 0.00 0.28 0.59 -2.00 -0.76 0.00 0.00 175.35 173.46 2dj0 s GLU 99 N -3.44 3.48 0.05 1.68 -6.30 -1.26 -1.27 118.70 111.63 2dj0 s GLU 99 Ca 0.42 -0.22 -0.13 0.00 -2.50 0.00 0.00 54.97 52.54 2dj0 s GLU 99 Cb -0.11 -3.87 -0.33 0.00 0.00 0.00 0.00 34.13 29.83 2dj0 s GLU 99 CO 0.29 -0.81 1.05 0.00 0.02 0.00 0.00 175.26 175.82 2dj0 h ALA 100 N 8.63 -0.08 -2.35 6.30 0.00 -1.46 -3.49 119.26 126.82 2dj0 h ALA 100 Ca -0.26 -0.84 0.06 0.00 0.00 0.00 0.00 54.91 53.86 2dj0 h ALA 100 Cb 1.11 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.87 2dj0 h ALA 100 CO 0.83 0.74 0.40 0.00 0.00 0.00 0.00 179.25 181.22 2dj0 s MET 101 N -2.71 0.93 -0.08 0.00 0.23 -1.25 -5.01 119.30 111.41 2dj0 s MET 101 Ca -0.08 -0.23 -0.06 0.00 -1.03 0.00 0.00 55.69 54.29 2dj0 s MET 101 Cb 0.05 0.43 0.03 0.00 -1.53 0.00 0.00 34.83 33.81 2dj0 s MET 101 CO 0.93 -0.39 0.21 -0.98 -2.03 0.00 0.00 175.02 172.77 2dj0 s ARG 102 N -2.83 0.20 0.01 3.16 1.04 -1.26 -2.29 118.95 116.97 2dj0 s ARG 102 Ca 0.01 0.38 0.03 0.00 -1.04 0.00 0.00 55.73 55.11 2dj0 s ARG 102 Cb -0.01 -0.01 -0.01 0.00 -2.04 0.00 0.00 34.95 32.88 2dj0 s ARG 102 CO -0.07 -0.09 -0.10 1.03 -0.04 0.00 0.00 175.30 176.03 2dj0 s ARG 103 N 0.65 0.75 0.63 3.89 1.81 -0.57 -3.40 118.95 122.70 2dj0 s ARG 103 Ca -0.04 -0.48 -0.16 0.00 -1.72 0.00 0.00 55.73 53.32 2dj0 s ARG 103 Cb -0.06 -0.71 -0.02 0.00 -0.45 0.00 0.00 34.95 33.71 2dj0 s ARG 103 CO -0.04 0.19 1.12 -1.25 -0.68 0.00 0.00 175.30 174.64 2dj0 s PRO 104 N -0.61 2.95 0.31 3.54 0.04 -1.26 -1.83 135.00 138.15 2dj0 s PRO 104 Ca 0.01 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 62.24 2dj0 s PRO 104 Cb -0.05 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2dj0 s PRO 104 CO 0.00 -1.14 0.95 -1.14 0.04 0.00 0.00 177.00 175.71 2dj0 s GLN 105 N -3.88 4.61 -0.14 4.56 -0.44 -1.22 -4.78 119.66 118.37 2dj0 s GLN 105 Ca 0.68 1.36 -0.16 0.00 -2.50 0.00 0.00 55.36 54.74 2dj0 s GLN 105 Cb -0.21 -2.86 -0.04 0.00 -1.64 0.00 0.00 33.01 28.25 2dj0 s GLN 105 CO 0.38 0.30 0.39 0.42 0.50 0.00 0.00 175.29 177.27 2dj0 s ILE 106 N -1.55 5.24 0.54 -2.34 -1.09 -1.26 -1.31 121.20 119.43 2dj0 s ILE 106 Ca 0.49 0.76 -0.07 0.00 -2.23 0.00 0.00 60.65 59.60 2dj0 s ILE 106 Cb -0.20 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 2dj0 s ILE 106 CO 0.25 0.36 0.87 -0.62 -1.23 0.00 0.00 174.94 174.57 2dj0 s ASP 107 N 0.54 6.07 0.13 3.58 2.15 -0.27 -4.90 116.67 123.96 2dj0 s ASP 107 Ca 0.21 0.98 -0.28 0.00 0.43 0.00 0.00 52.55 53.90 2dj0 s ASP 107 Cb -0.14 -2.16 -0.07 0.00 -0.30 0.00 0.00 42.92 40.25 2dj0 s ASP 107 CO 0.07 -0.78 1.47 0.50 -0.17 0.00 0.00 175.17 176.27 2dj0 h LYS 108 N -0.01 -0.13 -0.97 4.34 1.63 -1.98 0.33 116.57 119.79 2dj0 h LYS 108 Ca -0.46 0.01 0.32 0.00 -0.85 0.00 0.00 60.65 59.67 2dj0 h LYS 108 Cb 1.22 0.03 -0.17 0.00 -0.60 0.00 0.00 32.23 32.71 2dj0 h LYS 108 CO 0.62 -0.08 0.32 0.87 -3.45 0.00 0.00 179.45 177.72 2dj0 h LYS 109 N -0.13 0.10 0.00 1.90 1.79 -2.05 -3.44 116.57 114.74 2dj0 h LYS 109 Ca 0.11 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2dj0 h LYS 109 Cb 0.42 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2dj0 h LYS 109 CO -0.70 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 178.14 2dj0 n GLY 110 N -1.36 1.08 3.35 3.86 0.00 0.12 -5.15 105.19 107.09 2dj0 n GLY 110 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.01 1.50 -0.43 1.61 1.70 -1.24 -4.89 118.95 117.20 2dj0 s ARG 111 Ca 0.00 -1.22 -0.24 0.00 -0.47 0.00 0.00 55.73 53.80 2dj0 s ARG 111 Cb 0.00 -1.84 0.02 0.00 -0.57 0.00 0.00 34.95 32.56 2dj0 s ARG 111 CO 0.00 0.45 0.86 0.00 -1.08 0.00 0.00 175.30 175.54 2dj0 s ALA 112 N -0.96 3.31 0.04 7.88 0.00 -1.26 -1.12 121.76 129.65 2dj0 s ALA 112 Ca 0.12 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 2dj0 s ALA 112 Cb -0.10 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 2dj0 s ALA 112 CO 0.04 -1.85 1.95 0.08 0.00 0.00 0.00 175.76 175.99 2dj0 s VAL 113 N 3.48 2.99 -0.49 0.00 1.01 -0.42 -4.87 120.40 122.10 2dj0 s VAL 113 Ca 0.34 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.09 2dj0 s VAL 113 Cb -0.11 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2dj0 s VAL 113 CO 0.23 -0.00 2.10 -0.55 0.00 0.00 0.00 175.10 176.87 2dj0 s SER 114 N 4.28 5.05 -0.08 3.32 0.15 -1.26 -4.40 113.70 120.76 2dj0 s SER 114 Ca 0.88 0.92 -0.02 0.00 0.70 0.00 0.00 55.95 58.43 2dj0 s SER 114 Cb -0.43 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.33 2dj0 s SER 114 CO 0.41 -2.44 -0.00 0.86 1.20 0.00 0.00 173.24 173.27 2dj0 s TRP 115 N 9.91 3.15 -0.04 3.44 -0.00 -1.26 -5.07 118.94 129.08 2dj0 s TRP 115 Ca 0.84 0.18 -0.30 0.00 -0.00 0.00 0.00 56.10 56.83 2dj0 s TRP 115 Cb -0.18 -1.78 -0.06 0.00 -0.00 0.00 0.00 33.47 31.45 2dj0 s TRP 115 CO 0.26 0.47 1.63 0.99 -0.00 0.00 0.00 176.95 180.29 2dj0 s THR 116 N -0.89 3.53 -0.78 5.86 2.01 -1.26 -4.95 115.64 119.16 2dj0 s THR 116 Ca 0.14 0.72 -0.18 0.00 0.31 0.00 0.00 61.69 62.67 2dj0 s THR 116 Cb -0.11 -3.46 0.14 0.00 0.01 0.00 0.00 72.50 69.07 2dj0 s THR 116 CO 0.03 -0.05 0.90 -0.36 -0.69 0.00 0.00 174.62 174.45 2dj0 s PHE 117 N 3.72 3.18 0.16 4.92 0.40 -1.26 -4.74 117.98 124.35 2dj0 s PHE 117 Ca 0.72 -1.31 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 2dj0 s PHE 117 Cb -0.34 -4.10 -0.04 0.00 0.51 0.00 0.00 43.02 39.05 2dj0 s PHE 117 CO 0.29 -1.34 0.02 -1.54 0.70 0.00 0.00 175.22 173.36 2dj0 s SER 118 N 3.33 0.90 0.06 1.36 1.04 -1.26 -5.01 113.70 114.11 2dj0 s SER 118 Ca 0.22 -1.18 -0.33 0.00 0.48 0.00 0.00 55.95 55.14 2dj0 s SER 118 Cb -0.13 0.18 -0.19 0.00 0.10 0.00 0.00 66.02 65.98 2dj0 s SER 118 CO -0.03 -0.62 1.54 -0.08 0.98 0.00 0.00 173.24 175.03 2dj0 h GLU 119 N 2.76 -0.91 0.11 4.02 4.81 -1.94 -1.98 114.58 121.44 2dj0 h GLU 119 Ca -0.36 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2dj0 h GLU 119 Cb 1.20 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2dj0 h GLU 119 CO 0.62 -0.59 -0.12 0.93 -0.73 0.00 0.00 179.01 179.11 2dj0 h GLU 120 N -1.00 -0.22 -0.82 1.92 4.39 -1.99 -2.70 114.58 114.15 2dj0 h GLU 120 Ca -0.10 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.69 2dj0 h GLU 120 Cb 0.74 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.34 2dj0 h GLU 120 CO 0.16 -0.15 -0.48 0.09 -1.16 0.00 0.00 179.01 177.47 2dj0 n ASN 121 N -3.02 -0.87 -0.39 1.42 4.13 -1.25 -0.70 115.26 114.59 2dj0 n ASN 121 Ca -0.03 1.56 -0.08 0.00 1.68 0.00 0.00 54.58 57.71 2dj0 n ASN 121 Cb 0.11 -0.24 -0.07 0.00 -1.54 0.00 0.00 39.78 38.04 2dj0 n ASN 121 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2dj0 n VAL 122 N -4.92 -0.61 -0.06 2.41 0.31 -0.74 -0.16 118.33 114.55 2dj0 n VAL 122 Ca 0.02 2.27 -0.14 0.00 -0.01 0.00 0.00 64.34 66.47 2dj0 n VAL 122 Cb 0.21 -2.84 -0.10 0.00 -0.91 0.00 0.00 33.84 30.21 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 0.00 -0.85 2.52 2.04 -0.57 0.24 117.51 120.89 2dj0 h ILE 123 Ca 0.19 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.19 2dj0 h ILE 123 Cb 0.42 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.41 2dj0 h ILE 123 CO -0.90 0.00 0.44 -0.09 0.00 0.00 0.00 178.15 177.61 2dj0 h ARG 124 N -0.48 0.62 0.72 2.37 9.65 -0.60 1.49 114.38 128.15 2dj0 h ARG 124 Ca 0.05 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 2dj0 h ARG 124 Cb 0.62 -0.14 0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2dj0 h ARG 124 CO -0.48 0.41 -0.35 0.93 2.80 0.00 0.00 179.97 183.28 2dj0 h GLU 125 N 0.64 -0.93 -0.77 0.20 4.39 0.11 -2.68 114.58 115.54 2dj0 h GLU 125 Ca 0.46 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2dj0 h GLU 125 Cb 0.63 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2dj0 h GLU 125 CO -0.35 -0.62 0.00 1.19 -1.16 0.00 0.00 179.01 178.07 2dj0 n PHE 126 N -5.50 1.07 -3.73 4.33 3.01 0.69 -4.89 117.46 112.43 2dj0 n PHE 126 Ca -0.14 -0.37 -0.29 0.00 1.01 0.00 0.00 57.45 57.66 2dj0 n PHE 126 Cb 0.39 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.50 2dj0 n PHE 126 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2dj0 n ASN 127 N 0.34 -0.86 -0.30 4.37 4.13 0.49 -4.73 115.26 118.70 2dj0 n ASN 127 Ca 0.14 -0.91 0.06 0.00 1.68 0.00 0.00 54.58 55.56 2dj0 n ASN 127 Cb 0.73 -1.16 0.27 0.00 -1.54 0.00 0.00 39.78 38.08 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 -0.72 0.85 -0.92 3.41 3.38 -1.32 -1.30 115.31 118.70 2dj0 h LEU 128 Ca -0.44 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.67 2dj0 h LEU 128 Cb 1.01 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 2dj0 h LEU 128 CO 0.62 0.51 0.54 0.78 0.09 0.00 0.00 178.44 180.98 2dj0 h ASN 129 N 0.95 0.75 0.31 -0.43 2.35 -1.85 -1.59 115.58 116.06 2dj0 h ASN 129 Ca 0.42 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.21 2dj0 h ASN 129 Cb 0.35 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2dj0 h ASN 129 CO -0.18 0.38 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.51 2dj0 h GLU 130 N 0.83 -0.40 -0.50 0.81 4.39 -1.61 -3.33 114.58 114.77 2dj0 h GLU 130 Ca 0.47 0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.25 2dj0 h GLU 130 Cb 0.52 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 2dj0 h GLU 130 CO -0.29 -0.07 -0.49 -0.07 -1.16 0.00 0.00 179.01 176.93 2dj0 h LEU 131 N -0.91 -1.69 -7.87 1.33 3.38 -1.13 -3.12 115.31 105.30 2dj0 h LEU 131 Ca -0.04 0.23 -0.70 0.00 0.09 0.00 0.00 57.88 57.47 2dj0 h LEU 131 Cb 0.51 0.71 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 2dj0 h LEU 131 CO 0.07 -0.31 1.36 -0.55 0.09 0.00 0.00 178.44 179.11 2dj0 s SER 132 N -4.86 6.83 0.26 -0.43 0.15 -0.63 -5.00 113.70 110.02 2dj0 s SER 132 Ca -0.12 -2.42 -0.30 0.00 0.70 0.00 0.00 55.95 53.81 2dj0 s SER 132 Cb 0.08 -2.45 -0.13 0.00 -1.71 0.00 0.00 66.02 61.80 2dj0 s SER 132 CO 0.53 -1.01 1.33 0.61 1.20 0.00 0.00 173.24 175.90 2dj0 n GLY 133 N 5.10 0.59 3.64 9.45 0.00 -1.18 -4.80 105.19 117.99 2dj0 n GLY 133 Ca 0.34 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.83 -0.32 -0.06 1.61 0.04 -1.26 -5.07 135.00 129.10 2dj0 s PRO 134 Ca 0.65 0.26 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 2dj0 s PRO 134 Cb -0.65 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.24 2dj0 s PRO 134 CO 0.53 -3.18 -0.01 -1.12 0.04 0.00 0.00 177.00 173.27 2dj0 s SER 135 N -3.63 1.37 -0.23 6.66 0.01 -1.26 -5.13 113.70 111.49 2dj0 s SER 135 Ca 0.68 -0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.72 2dj0 s SER 135 Cb -0.15 -0.44 0.07 0.00 0.21 0.00 0.00 66.02 65.71 2dj0 s SER 135 CO 0.57 -0.15 0.54 -0.94 0.41 0.00 0.00 173.24 173.67 2dj0 s SER 136 N 1.63 -0.71 0.00 2.44 1.04 -1.26 -5.36 113.70 111.48 2dj0 s SER 136 Ca -0.00 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2dj0 s SER 136 Cb -0.13 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.17 2dj0 s SER 136 CO -0.04 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.57