#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj1 h SER 2 N 0.00 0.22 -2.81 1.61 0.87 -2.13 -3.48 113.55 107.84 2dj1 h SER 2 Ca 0.00 -0.74 -0.47 0.00 -1.23 0.00 0.00 61.79 59.36 2dj1 h SER 2 Cb 0.00 -0.07 0.23 0.00 -0.44 0.00 0.00 62.40 62.11 2dj1 h SER 2 CO 0.00 1.68 -0.68 -1.20 -0.53 0.00 0.00 176.83 176.10 2dj1 n SER 3 N -3.95 -2.05 0.00 6.23 7.64 -1.26 -4.84 113.62 115.40 2dj1 n SER 3 Ca -0.32 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.53 2dj1 n SER 3 Cb 0.87 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2dj1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj1 n GLY 4 N 1.61 0.75 3.49 0.23 0.00 -1.26 -5.16 105.19 104.86 2dj1 n GLY 4 Ca 0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 2dj1 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj1 s SER 5 N -0.76 -0.77 0.63 1.61 0.01 -1.26 -5.17 113.70 107.99 2dj1 s SER 5 Ca 0.00 1.27 0.01 0.00 1.31 0.00 0.00 55.95 58.53 2dj1 s SER 5 Cb 0.00 1.15 0.08 0.00 0.21 0.00 0.00 66.02 67.46 2dj1 s SER 5 CO 0.00 -0.22 0.88 -0.55 0.41 0.00 0.00 173.24 173.76 2dj1 s SER 6 N 1.47 4.83 -0.30 2.44 0.15 -1.26 -5.12 113.70 115.91 2dj1 s SER 6 Ca -0.09 -0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.17 2dj1 s SER 6 Cb -0.06 -0.42 0.19 0.00 -1.71 0.00 0.00 66.02 64.01 2dj1 s SER 6 CO -0.16 -1.50 1.19 -0.83 1.20 0.00 0.00 173.24 173.14 2dj1 s GLY 7 N -4.58 0.11 0.58 9.45 0.00 -1.26 -5.16 107.32 106.46 2dj1 s GLY 7 Ca 0.62 3.43 -0.16 0.00 0.00 0.00 0.00 44.72 48.61 2dj1 s GLY 7 CO 0.41 3.39 1.06 0.99 0.00 0.00 0.00 173.10 178.95 2dj1 s ASP 8 N 2.24 5.84 -1.56 1.64 1.01 -1.26 -4.92 116.67 119.66 2dj1 s ASP 8 Ca -0.01 1.83 -0.09 0.00 0.71 0.00 0.00 52.55 54.99 2dj1 s ASP 8 Cb -0.03 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2dj1 s ASP 8 CO -0.16 -1.12 2.80 -0.67 0.21 0.00 0.00 175.17 176.22 2dj1 n ASP 9 N -1.92 8.25 0.00 0.27 2.03 -1.26 -3.90 116.55 120.02 2dj1 n ASP 9 Ca 0.09 -2.70 0.00 0.00 0.52 0.00 0.00 54.79 52.70 2dj1 n ASP 9 Cb 0.53 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 2dj1 n ASP 9 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2dj1 n ASP 10 N 3.45 0.16 -4.55 1.67 8.00 -1.26 -4.99 116.55 119.03 2dj1 n ASP 10 Ca 0.74 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.82 2dj1 n ASP 10 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2dj1 n ASP 10 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dj1 s LEU 11 N -5.05 3.47 0.19 0.64 1.43 -1.25 -4.98 118.68 113.13 2dj1 s LEU 11 Ca 0.00 -1.13 0.11 0.00 -1.03 0.00 0.00 54.13 52.08 2dj1 s LEU 11 Cb 0.00 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 2dj1 s LEU 11 CO 0.00 -1.60 -0.22 -1.83 0.23 0.00 0.00 176.35 172.93 2dj1 s GLU 12 N 5.12 1.61 -0.06 1.70 -1.05 -1.26 -5.04 118.70 119.72 2dj1 s GLU 12 Ca 0.41 -1.47 -0.03 0.00 -0.15 0.00 0.00 54.97 53.73 2dj1 s GLU 12 Cb -0.03 -1.90 0.03 0.00 -0.44 0.00 0.00 34.13 31.78 2dj1 s GLU 12 CO -0.01 0.41 0.13 0.08 0.95 0.00 0.00 175.26 176.82 2dj1 s VAL 13 N -1.64 -0.03 0.59 1.83 1.01 -1.26 -4.89 120.40 116.01 2dj1 s VAL 13 Ca 0.21 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 2dj1 s VAL 13 Cb -0.08 -0.22 0.12 0.00 0.00 0.00 0.00 36.38 36.21 2dj1 s VAL 13 CO 0.10 0.05 0.81 0.29 0.00 0.00 0.00 175.10 176.36 2dj1 n LYS 14 N 3.82 -0.22 -3.63 2.72 5.02 -1.26 -4.90 118.16 119.72 2dj1 n LYS 14 Ca -0.22 -1.89 -0.15 0.00 -2.02 0.00 0.00 58.31 54.04 2dj1 n LYS 14 Cb 0.54 -0.64 -0.07 0.00 -0.02 0.00 0.00 35.03 34.84 2dj1 n LYS 14 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2dj1 s GLU 15 N -4.62 0.83 -0.39 1.97 -1.05 -1.26 -1.15 118.70 113.03 2dj1 s GLU 15 Ca 0.51 0.75 0.03 0.00 -0.15 0.00 0.00 54.97 56.12 2dj1 s GLU 15 Cb -0.02 0.40 0.11 0.00 -0.44 0.00 0.00 34.13 34.18 2dj1 s GLU 15 CO 0.35 -0.14 0.12 -1.21 0.95 0.00 0.00 175.26 175.32 2dj1 s GLU 16 N -0.02 1.51 -1.49 -4.83 2.02 0.77 -4.73 118.70 111.93 2dj1 s GLU 16 Ca -0.03 -1.99 -0.01 0.00 0.02 0.00 0.00 54.97 52.97 2dj1 s GLU 16 Cb -0.04 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.15 2dj1 s GLU 16 CO 0.03 -1.00 0.08 0.09 0.02 0.00 0.00 175.26 174.47 2dj1 n ASN 17 N 3.98 -5.21 0.00 -0.19 3.02 -1.26 -2.02 115.26 113.57 2dj1 n ASN 17 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2dj1 n ASN 17 Cb 0.39 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 2dj1 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dj1 n GLY 18 N -1.08 2.71 3.52 7.41 0.00 -1.26 -4.78 105.19 111.71 2dj1 n GLY 18 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2dj1 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dj1 s VAL 19 N -2.52 3.99 0.49 1.61 1.01 -0.86 -4.69 120.40 119.44 2dj1 s VAL 19 Ca 0.00 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 2dj1 s VAL 19 Cb 0.00 -4.79 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 2dj1 s VAL 19 CO 0.00 -1.61 1.27 0.26 0.00 0.00 0.00 175.10 175.02 2dj1 s TRP 20 N 4.99 2.60 -0.53 5.22 0.52 -0.66 -0.16 118.94 130.92 2dj1 s TRP 20 Ca 0.32 1.45 -0.16 0.00 0.02 0.00 0.00 56.10 57.73 2dj1 s TRP 20 Cb -0.11 -3.60 0.12 0.00 -1.15 0.00 0.00 33.47 28.73 2dj1 s TRP 20 CO 0.15 -2.20 0.49 0.08 0.02 0.00 0.00 176.95 175.49 2dj1 s VAL 21 N -1.41 5.21 0.38 4.03 1.01 -0.30 -0.43 120.40 128.89 2dj1 s VAL 21 Ca 0.67 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2dj1 s VAL 21 Cb -0.35 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 2dj1 s VAL 21 CO 0.42 -0.82 0.62 -0.76 0.00 0.00 0.00 175.10 174.55 2dj1 s LEU 22 N 1.62 3.90 0.19 3.92 1.43 -0.66 -4.25 118.68 124.84 2dj1 s LEU 22 Ca 0.03 0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 53.52 2dj1 s LEU 22 Cb -0.29 -3.49 0.05 0.00 0.03 0.00 0.00 46.19 42.49 2dj1 s LEU 22 CO 0.04 -0.37 0.61 0.54 0.23 0.00 0.00 176.35 177.39 2dj1 s ASN 23 N -4.02 -0.46 0.53 2.29 4.22 -1.26 -4.47 114.94 111.77 2dj1 s ASN 23 Ca 0.42 -0.19 0.18 0.00 -2.14 0.00 0.00 52.86 51.14 2dj1 s ASN 23 Cb -0.10 0.62 0.99 0.00 1.28 0.00 0.00 41.25 44.04 2dj1 s ASN 23 CO 0.38 -1.06 1.51 -2.24 -2.04 0.00 0.00 177.10 173.65 2dj1 h ASP 24 N 2.03 0.00 0.23 3.54 2.03 -1.97 1.84 116.42 124.11 2dj1 h ASP 24 Ca -0.30 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.65 2dj1 h ASP 24 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2dj1 h ASP 24 CO 0.35 0.00 -1.77 1.23 -1.03 0.00 0.00 179.24 178.02 2dj1 h GLY 25 N 0.00 0.39 -1.07 7.15 0.00 -2.01 -3.37 103.07 104.15 2dj1 h GLY 25 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.35 2dj1 h GLY 25 CO 0.00 0.86 0.00 1.16 0.00 0.00 0.00 176.54 178.56 2dj1 n ASN 26 N -3.53 3.16 0.10 0.19 0.23 0.86 -4.61 115.26 111.66 2dj1 n ASN 26 Ca -0.25 -2.64 -0.04 0.00 -0.53 0.00 0.00 54.58 51.13 2dj1 n ASN 26 Cb 1.07 -0.38 -0.02 0.00 -2.08 0.00 0.00 39.78 38.37 2dj1 n ASN 26 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2dj1 h PHE 27 N 1.37 -0.24 -0.52 -2.53 3.57 0.25 -1.55 116.94 117.29 2dj1 h PHE 27 Ca 0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2dj1 h PHE 27 Cb 1.07 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2dj1 h PHE 27 CO 0.29 -0.15 -0.09 0.22 -2.23 0.00 0.00 178.31 176.34 2dj1 h ASP 28 N -0.35 0.95 -0.71 0.41 3.58 -1.84 -1.67 116.42 116.79 2dj1 h ASP 28 Ca -0.03 -0.30 0.04 0.00 0.42 0.00 0.00 57.03 57.17 2dj1 h ASP 28 Cb 0.20 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2dj1 h ASP 28 CO 0.04 1.06 0.47 0.78 -2.88 0.00 0.00 179.24 178.71 2dj1 h ASN 29 N 0.86 0.71 0.13 2.28 4.21 -1.82 0.66 115.58 122.61 2dj1 h ASN 29 Ca 0.14 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 2dj1 h ASN 29 Cb 0.63 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2dj1 h ASN 29 CO 0.04 0.48 -0.06 0.15 -1.29 0.00 0.00 177.43 176.75 2dj1 h PHE 30 N 0.81 -0.16 0.00 1.19 3.04 -1.03 -3.28 116.94 117.52 2dj1 h PHE 30 Ca 0.29 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.24 2dj1 h PHE 30 Cb 0.13 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.69 2dj1 h PHE 30 CO -0.00 -0.10 0.00 1.33 -2.02 0.00 0.00 178.31 177.52 2dj1 n VAL 31 N -4.51 0.77 -0.10 1.41 0.24 -0.65 -3.16 118.33 112.34 2dj1 n VAL 31 Ca -0.02 0.19 -0.06 0.00 -2.04 0.00 0.00 64.34 62.42 2dj1 n VAL 31 Cb 0.07 -1.05 0.01 0.00 -1.47 0.00 0.00 33.84 31.39 2dj1 n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dj1 h ALA 32 N 2.41 0.20 -1.22 2.33 0.00 0.29 -2.66 119.26 120.60 2dj1 h ALA 32 Ca 0.00 0.14 -0.65 0.00 0.00 0.00 0.00 54.91 54.40 2dj1 h ALA 32 Cb 0.07 0.31 -0.37 0.00 0.00 0.00 0.00 17.79 17.81 2dj1 h ALA 32 CO 0.00 -0.48 -0.07 -0.40 0.00 0.00 0.00 179.25 178.30 2dj1 n ASP 33 N -5.30 5.83 -3.89 0.00 5.68 -1.19 -4.98 116.55 112.71 2dj1 n ASP 33 Ca 0.01 -3.77 -0.20 0.00 -0.50 0.00 0.00 54.79 50.34 2dj1 n ASP 33 Cb 0.22 -0.67 -0.16 0.00 -1.14 0.00 0.00 41.12 39.36 2dj1 n ASP 33 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2dj1 s LYS 34 N -3.73 0.80 0.13 0.11 -0.14 -1.01 -5.03 119.74 110.87 2dj1 s LYS 34 Ca 0.51 -0.09 -0.10 0.00 -1.36 0.00 0.00 55.97 54.93 2dj1 s LYS 34 Cb 0.42 -0.84 -0.08 0.00 -1.68 0.00 0.00 37.83 35.66 2dj1 s LYS 34 CO -0.22 -0.09 1.38 0.22 -0.76 0.00 0.00 175.35 175.88 2dj1 h ASP 35 N 7.24 0.88 -2.94 2.83 1.82 -1.92 -3.40 116.42 120.92 2dj1 h ASP 35 Ca -0.37 -0.53 -0.18 0.00 -0.39 0.00 0.00 57.03 55.56 2dj1 h ASP 35 Cb 1.15 -0.26 -0.30 0.00 0.68 0.00 0.00 39.33 40.60 2dj1 h ASP 35 CO 0.46 1.31 -0.47 -0.89 -1.61 0.00 0.00 179.24 178.04 2dj1 s THR 36 N -3.89 -0.34 -0.10 2.25 2.01 -1.26 -0.81 115.64 113.51 2dj1 s THR 36 Ca -0.10 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2dj1 s THR 36 Cb 0.10 -0.48 0.02 0.00 0.01 0.00 0.00 72.50 72.14 2dj1 s THR 36 CO 0.89 0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.11 2dj1 s VAL 37 N 2.11 1.19 -0.33 3.82 1.01 -0.42 -4.18 120.40 123.59 2dj1 s VAL 37 Ca -0.03 -0.45 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 2dj1 s VAL 37 Cb -0.11 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.15 2dj1 s VAL 37 CO -0.10 0.38 0.88 -0.22 0.00 0.00 0.00 175.10 176.04 2dj1 s LEU 38 N 1.16 4.04 -0.15 3.92 2.96 -1.05 -0.70 118.68 128.85 2dj1 s LEU 38 Ca -0.05 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 2dj1 s LEU 38 Cb -0.14 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 2dj1 s LEU 38 CO -0.03 -0.74 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.49 2dj1 s LEU 39 N 3.23 3.39 -0.16 -0.68 1.43 -1.09 -1.52 118.68 123.29 2dj1 s LEU 39 Ca 0.36 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2dj1 s LEU 39 Cb -0.13 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.31 2dj1 s LEU 39 CO 0.15 0.21 -0.08 -0.70 0.23 0.00 0.00 176.35 176.16 2dj1 s GLU 40 N 0.14 1.65 0.24 1.70 2.12 -0.99 0.24 118.70 123.79 2dj1 s GLU 40 Ca 0.00 -0.52 -0.17 0.00 0.36 0.00 0.00 54.97 54.64 2dj1 s GLU 40 Cb -0.13 -2.00 -0.08 0.00 0.26 0.00 0.00 34.13 32.17 2dj1 s GLU 40 CO 0.02 -0.38 0.69 -0.06 -0.54 0.00 0.00 175.26 174.99 2dj1 s PHE 41 N 1.59 3.55 0.30 5.30 0.40 0.11 -1.34 117.98 127.88 2dj1 s PHE 41 Ca 0.02 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 2dj1 s PHE 41 Cb -0.15 -2.53 -0.02 0.00 0.51 0.00 0.00 43.02 40.83 2dj1 s PHE 41 CO -0.08 0.28 0.32 1.52 0.70 0.00 0.00 175.22 177.96 2dj1 s TYR 42 N -1.66 1.28 -0.01 0.36 -0.85 -0.90 -1.01 117.35 114.55 2dj1 s TYR 42 Ca 0.45 -1.40 0.01 0.00 -0.52 0.00 0.00 57.07 55.62 2dj1 s TYR 42 Cb -0.14 -0.40 0.00 0.00 0.38 0.00 0.00 41.96 41.80 2dj1 s TYR 42 CO 0.20 -0.91 -0.04 0.00 -1.52 0.00 0.00 175.55 173.28 2dj1 s ALA 43 N -3.55 0.41 0.30 9.51 0.00 -1.26 -3.70 121.76 123.46 2dj1 s ALA 43 Ca 0.36 -0.13 0.15 0.00 0.00 0.00 0.00 51.96 52.33 2dj1 s ALA 43 Cb 0.02 -0.16 0.66 0.00 0.00 0.00 0.00 23.12 23.64 2dj1 s ALA 43 CO 0.20 0.06 1.76 -1.00 0.00 0.00 0.00 175.76 176.78 2dj1 h PRO 44 N 6.32 0.00 -0.51 0.00 0.13 -2.00 -2.62 132.00 133.32 2dj1 h PRO 44 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2dj1 h PRO 44 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dj1 h PRO 44 CO 0.50 0.43 0.00 -2.67 -0.23 0.00 0.00 178.00 176.02 2dj1 n TRP 45 N -3.84 0.69 -4.78 1.56 4.27 -1.26 -4.85 117.44 109.23 2dj1 n TRP 45 Ca -0.01 -0.29 -0.33 0.00 -3.89 0.00 0.00 57.50 52.97 2dj1 n TRP 45 Cb 0.48 -0.10 -0.13 0.00 -1.36 0.00 0.00 31.31 30.20 2dj1 n TRP 45 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj1 h GLY 47 N 5.70 0.00 0.18 0.00 0.00 -1.88 -3.32 103.07 103.74 2dj1 h GLY 47 Ca -0.41 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.15 2dj1 h GLY 47 CO 0.53 0.00 0.63 0.45 0.00 0.00 0.00 176.54 178.15 2dj1 h HIS 48 N 0.00 0.35 -0.45 5.60 3.86 -1.93 0.31 115.15 122.90 2dj1 h HIS 48 Ca -0.11 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 2dj1 h HIS 48 Cb 1.78 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 30.12 2dj1 h HIS 48 CO 0.00 0.07 0.20 0.00 0.86 0.00 0.00 177.93 179.07 2dj1 h LYS 50 N 0.63 -0.37 -0.29 0.00 1.57 -0.59 1.69 116.57 119.20 2dj1 h LYS 50 Ca 0.16 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 2dj1 h LYS 50 Cb 0.09 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2dj1 h LYS 50 CO -0.02 -0.25 0.35 1.96 -0.57 0.00 0.00 179.45 180.92 2dj1 h GLN 51 N -0.61 0.00 0.00 3.15 4.20 -1.52 0.76 115.11 121.09 2dj1 h GLN 51 Ca -0.04 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.38 2dj1 h GLN 51 Cb 0.30 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 2dj1 h GLN 51 CO 0.06 0.00 -1.91 0.34 -0.67 0.00 0.00 178.83 176.65 2dj1 n PHE 52 N -3.64 0.62 -0.28 2.96 7.35 -0.18 -4.27 117.46 120.02 2dj1 n PHE 52 Ca 0.04 0.22 -0.05 0.00 -0.76 0.00 0.00 57.45 56.91 2dj1 n PHE 52 Cb 0.49 -1.09 -0.03 0.00 0.35 0.00 0.00 39.48 39.21 2dj1 n PHE 52 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj1 n ALA 53 N -2.59 -0.28 0.11 3.13 0.00 0.57 0.16 120.51 121.61 2dj1 n ALA 53 Ca -0.21 0.63 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 2dj1 n ALA 53 Cb 1.04 -0.19 0.22 0.00 0.00 0.00 0.00 19.45 20.52 2dj1 n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dj1 h PRO 54 N 0.00 0.17 -0.15 0.00 0.13 -1.78 -2.93 132.00 127.45 2dj1 h PRO 54 Ca 0.17 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 2dj1 h PRO 54 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 2dj1 h PRO 54 CO -0.66 0.61 0.04 1.49 -0.23 0.00 0.00 178.00 179.25 2dj1 h GLU 55 N 0.14 0.24 0.57 0.86 4.57 0.14 -2.95 114.58 118.15 2dj1 h GLU 55 Ca 0.01 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2dj1 h GLU 55 Cb 0.89 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2dj1 h GLU 55 CO 0.07 0.37 -0.27 -0.92 -1.18 0.00 0.00 179.01 177.08 2dj1 h TYR 56 N 0.06 -0.71 -0.95 0.92 3.20 -0.50 -2.97 116.97 116.02 2dj1 h TYR 56 Ca 0.05 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.09 2dj1 h TYR 56 Cb 0.24 0.23 -0.18 0.00 1.54 0.00 0.00 36.73 38.56 2dj1 h TYR 56 CO 0.00 -0.43 -0.22 0.93 -1.64 0.00 0.00 178.16 176.80 2dj1 h GLU 57 N -0.78 0.00 -0.85 1.82 4.39 -1.54 0.57 114.58 118.19 2dj1 h GLU 57 Ca -0.08 -0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.84 2dj1 h GLU 57 Cb 0.59 -0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.11 2dj1 h GLU 57 CO 0.13 0.00 0.18 0.87 -1.16 0.00 0.00 179.01 179.03 2dj1 h LYS 58 N 0.00 0.18 -0.69 2.33 1.57 -1.35 0.36 116.57 118.97 2dj1 h LYS 58 Ca 0.46 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.16 2dj1 h LYS 58 Cb 0.72 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2dj1 h LYS 58 CO -0.97 0.12 0.17 0.82 -0.57 0.00 0.00 179.45 179.02 2dj1 h ILE 59 N 0.19 1.26 -0.44 1.86 2.04 0.11 -3.10 117.51 119.42 2dj1 h ILE 59 Ca 0.52 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.47 2dj1 h ILE 59 Cb 1.01 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 2dj1 h ILE 59 CO -0.66 0.37 -0.42 0.00 0.00 0.00 0.00 178.15 177.44 2dj1 h ALA 60 N 1.13 -0.57 -0.10 1.87 0.00 0.16 -0.88 119.26 120.86 2dj1 h ALA 60 Ca 0.22 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2dj1 h ALA 60 Cb 0.36 1.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2dj1 h ALA 60 CO 0.00 -0.81 -0.24 0.77 0.00 0.00 0.00 179.25 178.98 2dj1 h SER 61 N -0.20 -0.73 -0.22 0.00 0.02 -1.54 0.32 113.55 111.20 2dj1 h SER 61 Ca 0.07 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2dj1 h SER 61 Cb 0.39 0.32 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 2dj1 h SER 61 CO -0.52 -0.29 -0.18 0.74 -1.14 0.00 0.00 176.83 175.43 2dj1 h THR 62 N -0.32 0.00 -0.25 -2.27 2.02 -1.24 0.10 112.91 110.96 2dj1 h THR 62 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2dj1 h THR 62 Cb 0.45 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2dj1 h THR 62 CO -0.29 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 175.66 2dj1 h LEU 63 N -0.06 0.29 -0.74 2.58 3.38 -1.06 -2.12 115.31 117.58 2dj1 h LEU 63 Ca 0.04 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.12 2dj1 h LEU 63 Cb 0.16 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 2dj1 h LEU 63 CO -0.24 0.24 -0.35 0.50 0.09 0.00 0.00 178.44 178.68 2dj1 h LYS 64 N 0.34 -0.10 0.02 1.13 3.64 0.23 -0.19 116.57 121.63 2dj1 h LYS 64 Ca 0.09 0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.24 2dj1 h LYS 64 Cb 0.02 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2dj1 h LYS 64 CO -0.01 -0.07 -1.14 0.22 -2.27 0.00 0.00 179.45 176.18 2dj1 h ASP 65 N -0.10 0.05 -1.86 4.20 1.82 -1.24 -3.39 116.42 115.90 2dj1 h ASP 65 Ca 0.28 -0.06 -0.56 0.00 -0.39 0.00 0.00 57.03 56.30 2dj1 h ASP 65 Cb 0.57 -0.02 0.17 0.00 0.68 0.00 0.00 39.33 40.73 2dj1 h ASP 65 CO -0.79 1.05 -1.10 -3.20 -1.61 0.00 0.00 179.24 173.58 2dj1 n ASN 66 N -3.33 -3.51 -4.22 2.28 5.15 -0.09 -4.65 115.26 106.89 2dj1 n ASN 66 Ca -0.04 0.59 -0.33 0.00 -0.60 0.00 0.00 54.58 54.20 2dj1 n ASN 66 Cb 0.97 -0.79 -0.16 0.00 -0.53 0.00 0.00 39.78 39.27 2dj1 n ASN 66 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2dj1 s ASP 67 N -0.93 3.44 0.81 1.20 -1.08 -1.26 -1.35 116.67 117.51 2dj1 s ASP 67 Ca 0.52 -0.53 -0.11 0.00 -0.52 0.00 0.00 52.55 51.91 2dj1 s ASP 67 Cb -0.45 -1.52 0.08 0.00 -1.46 0.00 0.00 42.92 39.57 2dj1 s ASP 67 CO 0.62 0.07 1.09 -2.16 0.52 0.00 0.00 175.17 175.31 2dj1 s PRO 68 N 0.90 1.93 -0.32 4.34 0.04 -1.26 -5.02 135.00 135.62 2dj1 s PRO 68 Ca -0.04 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 2dj1 s PRO 68 Cb -0.15 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2dj1 s PRO 68 CO -0.02 -1.84 1.68 -1.25 0.04 0.00 0.00 177.00 175.60 2dj1 s PRO 69 N -4.91 3.50 0.48 0.56 0.04 -0.45 -5.00 135.00 129.21 2dj1 s PRO 69 Ca 0.62 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 2dj1 s PRO 69 Cb -0.17 -4.12 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 2dj1 s PRO 69 CO 0.56 -1.66 0.74 0.42 0.04 0.00 0.00 177.00 177.10 2dj1 s ILE 70 N 6.18 4.34 -0.29 0.56 1.01 -1.19 -5.01 121.20 126.79 2dj1 s ILE 70 Ca 0.74 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.24 2dj1 s ILE 70 Cb -0.21 -3.64 0.08 0.00 0.01 0.00 0.00 42.46 38.70 2dj1 s ILE 70 CO 0.33 -0.54 -0.02 0.00 0.00 0.00 0.00 174.94 174.70 2dj1 s ALA 71 N -2.67 2.57 -0.09 9.38 0.00 -1.26 -4.30 121.76 125.39 2dj1 s ALA 71 Ca 0.48 -2.04 -0.27 0.00 0.00 0.00 0.00 51.96 50.13 2dj1 s ALA 71 Cb -0.10 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 2dj1 s ALA 71 CO 0.41 -1.43 0.89 0.08 0.00 0.00 0.00 175.76 175.70 2dj1 s VAL 72 N 1.08 4.89 0.23 0.00 1.01 -1.26 -2.54 120.40 123.81 2dj1 s VAL 72 Ca 0.01 1.81 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2dj1 s VAL 72 Cb -0.19 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 2dj1 s VAL 72 CO -0.08 0.11 0.11 0.00 0.00 0.00 0.00 175.10 175.24 2dj1 s ALA 73 N 1.52 1.45 0.04 5.51 0.00 -0.58 -1.65 121.76 128.05 2dj1 s ALA 73 Ca 0.44 -1.78 0.02 0.00 0.00 0.00 0.00 51.96 50.64 2dj1 s ALA 73 Cb -0.18 1.17 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 2dj1 s ALA 73 CO 0.19 -0.51 -0.07 -1.59 0.00 0.00 0.00 175.76 173.78 2dj1 s LYS 74 N -4.08 0.49 -0.01 0.00 -2.85 0.43 -2.35 119.74 111.37 2dj1 s LYS 74 Ca 0.37 -0.75 -0.01 0.00 -1.00 0.00 0.00 55.97 54.58 2dj1 s LYS 74 Cb 0.07 -0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.64 2dj1 s LYS 74 CO 0.12 0.03 0.03 0.42 0.10 0.00 0.00 175.35 176.05 2dj1 s ILE 75 N -1.49 0.01 -1.09 3.79 1.01 -0.45 -1.65 121.20 121.33 2dj1 s ILE 75 Ca -0.10 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 2dj1 s ILE 75 Cb -0.09 -0.08 0.17 0.00 0.01 0.00 0.00 42.46 42.47 2dj1 s ILE 75 CO -0.00 -0.03 1.26 -0.62 0.00 0.00 0.00 174.94 175.55 2dj1 s ASP 76 N -0.09 6.95 0.20 3.58 2.15 -1.26 -2.11 116.67 126.09 2dj1 s ASP 76 Ca -0.01 -2.76 -0.13 0.00 0.43 0.00 0.00 52.55 50.08 2dj1 s ASP 76 Cb -0.01 -2.37 0.24 0.00 -0.30 0.00 0.00 42.92 40.49 2dj1 s ASP 76 CO 0.00 -0.78 1.32 0.00 -0.17 0.00 0.00 175.17 175.54 2dj1 n ALA 77 N 5.50 -0.04 -0.33 3.66 0.00 -1.24 0.11 120.51 128.16 2dj1 n ALA 77 Ca 0.30 0.87 0.24 0.00 0.00 0.00 0.00 53.44 54.85 2dj1 n ALA 77 Cb 0.45 -0.42 0.45 0.00 0.00 0.00 0.00 19.45 19.93 2dj1 n ALA 77 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dj1 h THR 78 N 0.00 0.03 0.23 0.00 1.35 -1.90 0.39 112.91 113.01 2dj1 h THR 78 Ca 0.32 -0.01 -0.34 0.00 -0.55 0.00 0.00 66.41 65.83 2dj1 h THR 78 Cb 0.53 0.00 0.03 0.00 -1.73 0.00 0.00 68.15 66.98 2dj1 h THR 78 CO -0.85 0.01 -1.58 -1.28 -0.25 0.00 0.00 175.52 171.56 2dj1 h SER 79 N 0.03 0.77 -2.98 5.36 0.87 0.45 -3.41 113.55 114.63 2dj1 h SER 79 Ca 0.73 -0.93 -0.72 0.00 -1.23 0.00 0.00 61.79 59.65 2dj1 h SER 79 Cb 1.77 -0.25 -0.21 0.00 -0.44 0.00 0.00 62.40 63.28 2dj1 h SER 79 CO -0.82 1.74 0.32 0.00 -0.53 0.00 0.00 176.83 177.55 2dj1 s ALA 80 N -2.59 3.56 -0.01 6.23 0.00 0.14 -4.91 121.76 124.17 2dj1 s ALA 80 Ca -0.12 -2.64 -0.21 0.00 0.00 0.00 0.00 51.96 48.99 2dj1 s ALA 80 Cb 0.04 -3.68 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 2dj1 s ALA 80 CO 0.91 -2.52 0.86 1.03 0.00 0.00 0.00 175.76 176.04 2dj1 h SER 81 N 8.75 -0.63 -0.41 0.00 0.87 -1.80 -1.65 113.55 118.67 2dj1 h SER 81 Ca -0.07 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2dj1 h SER 81 Cb 1.06 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 63.11 2dj1 h SER 81 CO 1.02 -0.23 -0.40 -0.03 -0.53 0.00 0.00 176.83 176.66 2dj1 h MET 82 N -1.19 -0.19 -0.70 2.24 1.85 -1.91 0.77 114.93 115.80 2dj1 h MET 82 Ca -0.08 0.01 0.11 0.00 -0.61 0.00 0.00 59.70 59.14 2dj1 h MET 82 Cb 0.57 0.04 -0.08 0.00 0.43 0.00 0.00 31.60 32.56 2dj1 h MET 82 CO 0.12 -0.13 0.30 -0.07 -0.40 0.00 0.00 176.91 176.74 2dj1 h LEU 83 N -0.20 0.33 -0.19 3.39 3.38 -1.95 0.67 115.31 120.75 2dj1 h LEU 83 Ca 0.07 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2dj1 h LEU 83 Cb 0.38 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2dj1 h LEU 83 CO -0.49 0.17 -0.23 0.00 0.09 0.00 0.00 178.44 177.98 2dj1 h ALA 84 N 1.47 -0.15 -0.67 1.53 0.00 -0.00 -1.95 119.26 119.48 2dj1 h ALA 84 Ca 0.36 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 2dj1 h ALA 84 Cb 0.47 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2dj1 h ALA 84 CO -0.33 -0.67 0.10 1.03 0.00 0.00 0.00 179.25 179.38 2dj1 h SER 85 N -0.26 1.08 -0.48 0.00 0.87 -0.23 0.25 113.55 114.78 2dj1 h SER 85 Ca 0.12 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.49 2dj1 h SER 85 Cb 0.44 -0.29 -0.10 0.00 -0.44 0.00 0.00 62.40 62.01 2dj1 h SER 85 CO -0.34 1.07 -0.44 0.50 -0.53 0.00 0.00 176.83 177.10 2dj1 h LYS 86 N 1.05 -0.28 -0.97 2.24 3.64 -0.13 0.23 116.57 122.34 2dj1 h LYS 86 Ca 0.20 0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.29 2dj1 h LYS 86 Cb 0.46 0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 32.15 2dj1 h LYS 86 CO 0.01 -0.19 0.40 1.19 -2.27 0.00 0.00 179.45 178.60 2dj1 n PHE 87 N -5.41 2.01 -3.76 1.91 3.01 -0.95 -4.83 117.46 109.44 2dj1 n PHE 87 Ca 0.00 -1.32 -0.27 0.00 1.01 0.00 0.00 57.45 56.87 2dj1 n PHE 87 Cb 0.35 -0.69 -0.06 0.00 -0.01 0.00 0.00 39.48 39.06 2dj1 n PHE 87 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2dj1 n ASP 88 N -0.51 -0.36 -4.55 4.37 2.03 0.81 -4.68 116.55 113.65 2dj1 n ASP 88 Ca 0.38 -0.92 -0.28 0.00 0.52 0.00 0.00 54.79 54.50 2dj1 n ASP 88 Cb 1.26 -1.16 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2dj1 n ASP 88 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dj1 s VAL 89 N -3.29 3.09 -0.39 5.18 1.01 0.84 -4.77 120.40 122.07 2dj1 s VAL 89 Ca 0.32 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2dj1 s VAL 89 Cb -0.19 -3.22 0.46 0.00 0.00 0.00 0.00 36.38 33.44 2dj1 s VAL 89 CO 0.74 -0.21 1.44 -0.24 0.00 0.00 0.00 175.10 176.83 2dj1 n SER 90 N 16.35 5.53 -3.60 3.32 2.88 -1.26 -4.87 113.62 131.97 2dj1 n SER 90 Ca 0.39 -3.77 0.01 0.00 -1.33 0.00 0.00 58.87 54.17 2dj1 n SER 90 Cb 0.50 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 63.41 2dj1 n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dj1 s GLY 91 N -3.05 -0.36 -0.27 0.46 0.00 -1.26 -5.18 107.32 97.66 2dj1 s GLY 91 Ca 0.54 1.39 -0.23 0.00 0.00 0.00 0.00 44.72 46.42 2dj1 s GLY 91 CO 0.02 0.39 0.79 -0.19 0.00 0.00 0.00 173.10 174.11 2dj1 s TYR 92 N -2.05 -0.76 0.83 1.90 1.51 -1.26 -4.25 117.35 113.26 2dj1 s TYR 92 Ca 0.13 1.78 -0.11 0.00 -1.01 0.00 0.00 57.07 57.87 2dj1 s TYR 92 Cb 0.04 0.34 0.09 0.00 -0.11 0.00 0.00 41.96 42.32 2dj1 s TYR 92 CO -0.05 -0.37 1.09 -1.25 -1.11 0.00 0.00 175.55 173.87 2dj1 s PRO 93 N 0.56 1.82 -0.17 -1.71 0.04 -1.26 -4.93 135.00 129.34 2dj1 s PRO 93 Ca -0.01 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 2dj1 s PRO 93 Cb -0.05 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.71 2dj1 s PRO 93 CO -0.04 -1.91 0.22 0.99 0.04 0.00 0.00 177.00 176.30 2dj1 s THR 94 N -2.92 -0.33 -0.13 1.26 2.01 -0.18 -4.98 115.64 110.37 2dj1 s THR 94 Ca 0.62 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.52 2dj1 s THR 94 Cb -0.17 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2dj1 s THR 94 CO 0.56 -0.10 0.29 -0.63 -0.69 0.00 0.00 174.62 174.06 2dj1 s ILE 95 N 2.34 5.29 0.38 1.82 1.01 -1.26 0.04 121.20 130.81 2dj1 s ILE 95 Ca 0.05 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.31 2dj1 s ILE 95 Cb -0.15 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2dj1 s ILE 95 CO -0.10 0.45 0.21 0.29 0.00 0.00 0.00 174.94 175.79 2dj1 n LYS 96 N 3.05 0.50 -3.74 2.79 5.02 0.14 -3.87 118.16 122.04 2dj1 n LYS 96 Ca -0.13 -3.45 -0.16 0.00 -2.02 0.00 0.00 58.31 52.54 2dj1 n LYS 96 Cb 0.52 2.29 -0.16 0.00 -0.02 0.00 0.00 35.03 37.66 2dj1 n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dj1 s ILE 97 N -3.23 -0.08 -0.43 -0.18 1.01 -1.13 -2.66 121.20 114.50 2dj1 s ILE 97 Ca 0.30 0.27 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 2dj1 s ILE 97 Cb 0.01 -0.12 0.06 0.00 0.01 0.00 0.00 42.46 42.43 2dj1 s ILE 97 CO 0.21 0.11 0.30 -0.22 0.00 0.00 0.00 174.94 175.34 2dj1 s LEU 98 N 1.38 5.23 -0.43 2.97 2.96 0.12 -1.64 118.68 129.27 2dj1 s LEU 98 Ca -0.05 -1.29 -0.14 0.00 -0.22 0.00 0.00 54.13 52.43 2dj1 s LEU 98 Cb -0.13 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.53 2dj1 s LEU 98 CO -0.03 -0.54 0.31 -0.54 -1.32 0.00 0.00 176.35 174.23 2dj1 s LYS 99 N 1.55 2.90 -0.57 1.98 -0.14 -0.27 -1.31 119.74 123.88 2dj1 s LYS 99 Ca 0.03 -1.21 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 2dj1 s LYS 99 Cb -0.22 -3.96 0.00 0.00 -1.68 0.00 0.00 37.83 31.96 2dj1 s LYS 99 CO 0.05 -0.87 0.00 1.63 -0.76 0.00 0.00 175.35 175.41 2dj1 n LYS 100 N 5.11 -1.88 0.00 1.68 5.02 0.01 0.15 118.16 128.25 2dj1 n LYS 100 Ca -0.12 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2dj1 n LYS 100 Cb 0.45 -4.65 0.00 0.00 -0.02 0.00 0.00 35.03 30.81 2dj1 n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dj1 n GLY 101 N -0.38 1.16 3.72 0.72 0.00 -1.26 -5.10 105.19 104.05 2dj1 n GLY 101 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2dj1 n GLY 101 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dj1 s GLN 102 N -0.39 3.53 -0.40 1.61 -1.52 0.38 -4.82 119.66 118.05 2dj1 s GLN 102 Ca 0.00 -0.30 -0.19 0.00 -1.95 0.00 0.00 55.36 52.91 2dj1 s GLN 102 Cb 0.00 -3.08 0.01 0.00 -0.22 0.00 0.00 33.01 29.72 2dj1 s GLN 102 CO 0.00 0.55 0.57 0.00 -0.25 0.00 0.00 175.29 176.16 2dj1 s ALA 103 N -0.41 3.41 -0.34 6.09 0.00 -1.26 -1.12 121.76 128.14 2dj1 s ALA 103 Ca 0.09 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 2dj1 s ALA 103 Cb -0.12 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.87 2dj1 s ALA 103 CO 0.02 -1.54 0.11 0.08 0.00 0.00 0.00 175.76 174.43 2dj1 s VAL 104 N 2.58 3.83 -0.38 0.00 1.01 -0.65 -4.79 120.40 121.99 2dj1 s VAL 104 Ca 0.20 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2dj1 s VAL 104 Cb -0.15 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2dj1 s VAL 104 CO 0.16 -0.16 1.54 1.51 0.00 0.00 0.00 175.10 178.15 2dj1 s ASP 105 N 1.42 6.20 0.29 3.32 1.47 -1.26 -2.85 116.67 125.25 2dj1 s ASP 105 Ca -0.01 0.99 -0.30 0.00 1.18 0.00 0.00 52.55 54.41 2dj1 s ASP 105 Cb -0.19 -2.54 -0.11 0.00 -0.34 0.00 0.00 42.92 39.75 2dj1 s ASP 105 CO 0.03 -1.52 1.49 -0.47 0.68 0.00 0.00 175.17 175.39 2dj1 s TYR 106 N 5.88 2.86 -0.24 2.11 5.04 -1.25 -5.00 117.35 126.74 2dj1 s TYR 106 Ca 0.67 0.99 -0.03 0.00 -2.44 0.00 0.00 57.07 56.26 2dj1 s TYR 106 Cb -0.17 -3.93 0.08 0.00 0.35 0.00 0.00 41.96 38.30 2dj1 s TYR 106 CO 0.33 -2.98 0.08 0.34 -1.34 0.00 0.00 175.55 171.98 2dj1 s ASP 107 N 0.26 3.25 0.00 4.32 2.15 -1.26 -5.02 116.67 120.37 2dj1 s ASP 107 Ca 0.59 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2dj1 s ASP 107 Cb -0.44 -0.54 0.00 0.00 -0.30 0.00 0.00 42.92 41.64 2dj1 s ASP 107 CO 0.49 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.72 2dj1 n GLY 108 N 5.09 -1.93 3.75 2.66 0.00 -1.26 -5.13 105.19 108.38 2dj1 n GLY 108 Ca -0.06 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2dj1 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj1 s SER 109 N -2.02 7.23 -0.76 1.61 0.01 -1.26 -4.95 113.70 113.55 2dj1 s SER 109 Ca 0.00 2.26 -0.26 0.00 1.31 0.00 0.00 55.95 59.26 2dj1 s SER 109 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2dj1 s SER 109 CO 0.00 -0.19 1.51 -0.60 0.41 0.00 0.00 173.24 174.37 2dj1 s ARG 110 N -1.18 3.05 -0.10 12.44 3.52 -1.26 -4.39 118.95 131.03 2dj1 s ARG 110 Ca 0.46 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.62 2dj1 s ARG 110 Cb -0.32 -4.47 0.07 0.00 -1.56 0.00 0.00 34.95 28.67 2dj1 s ARG 110 CO 0.40 -2.41 0.68 0.95 -0.81 0.00 0.00 175.30 174.12 2dj1 s THR 111 N 6.85 0.00 0.30 4.11 -4.23 -1.26 -5.02 115.64 116.39 2dj1 s THR 111 Ca 0.48 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.02 2dj1 s THR 111 Cb -0.08 -0.99 0.31 0.00 1.34 0.00 0.00 72.50 73.07 2dj1 s THR 111 CO 0.12 -0.00 1.66 -0.61 -0.54 0.00 0.00 174.62 175.25 2dj1 h GLN 112 N 3.52 0.27 0.42 3.99 4.15 -1.92 0.30 115.11 125.85 2dj1 h GLN 112 Ca -0.28 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 2dj1 h GLN 112 Cb 1.15 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2dj1 h GLN 112 CO 0.30 0.18 -0.20 1.05 -1.93 0.00 0.00 178.83 178.23 2dj1 h GLU 113 N 0.27 -0.55 0.36 1.69 4.11 -1.96 -0.89 114.58 117.62 2dj1 h GLU 113 Ca 0.58 0.04 -0.02 0.00 0.07 0.00 0.00 59.36 60.03 2dj1 h GLU 113 Cb 1.18 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2dj1 h GLU 113 CO -0.61 -0.34 -0.17 0.93 0.07 0.00 0.00 179.01 178.88 2dj1 h GLU 114 N -0.61 -0.46 -0.91 1.06 4.39 -1.34 0.41 114.58 117.11 2dj1 h GLU 114 Ca -0.06 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.81 2dj1 h GLU 114 Cb 0.46 0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 29.07 2dj1 h GLU 114 CO 0.10 -0.31 -0.39 0.82 -1.16 0.00 0.00 179.01 178.07 2dj1 h ILE 115 N -0.52 0.04 -0.59 3.13 2.04 -0.58 0.54 117.51 121.56 2dj1 h ILE 115 Ca -0.05 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2dj1 h ILE 115 Cb 0.37 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 2dj1 h ILE 115 CO 0.08 0.00 0.10 0.58 0.00 0.00 0.00 178.15 178.91 2dj1 h VAL 116 N -0.04 1.25 -0.55 1.67 2.07 -1.17 -0.15 116.25 119.33 2dj1 h VAL 116 Ca 0.32 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.91 2dj1 h VAL 116 Cb 0.58 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2dj1 h VAL 116 CO -0.92 0.35 0.32 0.00 0.02 0.00 0.00 177.57 177.34 2dj1 h ALA 117 N 1.21 0.71 0.19 1.67 0.00 0.45 0.23 119.26 123.72 2dj1 h ALA 117 Ca 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2dj1 h ALA 117 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dj1 h ALA 117 CO 0.01 0.02 -0.09 -0.22 0.00 0.00 0.00 179.25 178.97 2dj1 h LYS 118 N 0.63 -0.24 -1.09 0.00 1.63 -0.59 -1.91 116.57 114.99 2dj1 h LYS 118 Ca 0.23 0.02 0.30 0.00 -0.85 0.00 0.00 60.65 60.35 2dj1 h LYS 118 Cb 0.06 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.68 2dj1 h LYS 118 CO -0.12 -0.16 0.75 0.28 -3.45 0.00 0.00 179.45 176.75 2dj1 h VAL 119 N -0.80 0.47 -0.01 2.00 2.07 -1.07 0.37 116.25 119.28 2dj1 h VAL 119 Ca -0.03 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2dj1 h VAL 119 Cb 0.19 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2dj1 h VAL 119 CO 0.04 0.03 -0.16 -0.09 0.02 0.00 0.00 177.57 177.41 2dj1 h ARG 120 N 0.17 0.13 -0.12 1.57 2.43 -0.60 -2.41 114.38 115.55 2dj1 h ARG 120 Ca 0.56 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.55 2dj1 h ARG 120 Cb 1.88 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.46 2dj1 h ARG 120 CO -0.14 0.84 -0.18 1.05 -1.51 0.00 0.00 179.97 180.04 2dj1 h GLU 121 N -0.53 0.19 -0.13 0.20 4.11 -0.13 -2.94 114.58 115.35 2dj1 h GLU 121 Ca -0.02 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.30 2dj1 h GLU 121 Cb 0.88 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2dj1 h GLU 121 CO 0.03 0.37 -0.18 0.28 0.07 0.00 0.00 179.01 179.58 2dj1 h VAL 122 N 0.18 1.36 -0.98 -1.06 2.07 -0.41 -3.18 116.25 114.24 2dj1 h VAL 122 Ca 0.03 -1.40 0.31 0.00 0.82 0.00 0.00 66.70 66.47 2dj1 h VAL 122 Cb 0.42 1.98 -0.15 0.00 -1.52 0.00 0.00 31.29 32.02 2dj1 h VAL 122 CO 0.03 0.41 0.50 0.28 0.02 0.00 0.00 177.57 178.81 2dj1 h SER 123 N -0.05 0.40 -2.46 0.57 0.02 -1.24 -3.42 113.55 107.36 2dj1 h SER 123 Ca 0.01 0.20 -0.61 0.00 -0.84 0.00 0.00 61.79 60.56 2dj1 h SER 123 Cb 0.74 0.18 0.12 0.00 0.14 0.00 0.00 62.40 63.58 2dj1 h SER 123 CO 0.04 -0.17 -0.03 0.00 -1.14 0.00 0.00 176.83 175.54 2dj1 n GLN 124 N -5.11 1.08 0.23 3.45 1.13 -1.20 -4.86 117.38 112.10 2dj1 n GLN 124 Ca 0.30 0.38 0.11 0.00 -1.94 0.00 0.00 57.00 55.86 2dj1 n GLN 124 Cb 0.95 -1.75 0.54 0.00 0.11 0.00 0.00 30.24 30.09 2dj1 n GLN 124 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2dj1 h PRO 125 N 1.55 0.00 -0.10 -1.09 0.13 -1.90 -3.05 132.00 127.55 2dj1 h PRO 125 Ca -0.40 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.50 2dj1 h PRO 125 Cb 1.36 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.50 2dj1 h PRO 125 CO 0.57 0.19 -0.83 -0.44 -0.23 0.00 0.00 178.00 177.26 2dj1 h ASP 126 N 0.00 0.90 -2.92 1.44 3.32 -1.90 -3.45 116.42 113.80 2dj1 h ASP 126 Ca -0.00 -0.67 -0.58 0.00 0.02 0.00 0.00 57.03 55.80 2dj1 h ASP 126 Cb 0.64 -0.27 0.17 0.00 0.22 0.00 0.00 39.33 40.09 2dj1 h ASP 126 CO 0.02 1.43 -0.43 1.87 -1.72 0.00 0.00 179.24 180.42 2dj1 n TRP 127 N -3.95 -0.79 -3.86 4.55 -0.00 -1.15 -5.01 117.44 107.22 2dj1 n TRP 127 Ca -0.09 0.44 -0.11 0.00 -0.00 0.00 0.00 57.50 57.74 2dj1 n TRP 127 Cb 0.78 -1.94 -0.09 0.00 -0.00 0.00 0.00 31.31 30.05 2dj1 n TRP 127 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2dj1 s THR 128 N -1.74 0.09 0.47 5.87 -4.23 -1.26 -5.00 115.64 109.84 2dj1 s THR 128 Ca 0.68 -0.74 -0.22 0.00 -1.18 0.00 0.00 61.69 60.23 2dj1 s THR 128 Cb -0.45 -0.57 -0.07 0.00 1.34 0.00 0.00 72.50 72.75 2dj1 s THR 128 CO 0.55 -0.41 1.16 -2.16 -0.54 0.00 0.00 174.62 173.22 2dj1 s PRO 129 N -1.68 3.69 0.50 3.99 0.04 -1.26 -5.01 135.00 135.27 2dj1 s PRO 129 Ca -0.12 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 2dj1 s PRO 129 Cb -0.06 -2.34 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 2dj1 s PRO 129 CO 0.00 -0.60 1.15 -1.25 0.04 0.00 0.00 177.00 176.34 2dj1 s PRO 130 N -2.80 3.58 0.00 0.56 0.04 -1.26 -4.89 135.00 130.23 2dj1 s PRO 130 Ca 0.65 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2dj1 s PRO 130 Cb -0.28 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2dj1 s PRO 130 CO 0.33 -0.68 0.41 -0.35 0.04 0.00 0.00 177.00 176.75 2dj1 n PRO 131 N -0.85 0.49 -1.03 0.56 -0.04 -1.26 -4.36 135.00 128.51 2dj1 n PRO 131 Ca 0.09 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 2dj1 n PRO 131 Cb 0.49 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.82 2dj1 n PRO 131 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dj1 n GLU 132 N -0.25 1.44 -3.70 0.54 2.13 -1.26 -4.47 120.64 115.07 2dj1 n GLU 132 Ca 0.00 -1.71 -0.21 0.00 0.66 0.00 0.00 57.16 55.90 2dj1 n GLU 132 Cb 0.04 -2.81 -0.02 0.00 0.27 0.00 0.00 31.44 28.92 2dj1 n GLU 132 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2dj1 n VAL 133 N 5.83 -0.96 -1.64 6.31 0.31 -1.26 -4.77 118.33 122.16 2dj1 n VAL 133 Ca 0.48 -0.29 -0.39 0.00 -0.01 0.00 0.00 64.34 64.13 2dj1 n VAL 133 Cb 0.36 -0.85 0.04 0.00 -0.91 0.00 0.00 33.84 32.48 2dj1 n VAL 133 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2dj1 n THR 134 N -3.03 3.51 -3.64 2.52 -2.24 -1.26 -5.02 114.28 105.13 2dj1 n THR 134 Ca -0.12 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.08 2dj1 n THR 134 Cb 0.33 -1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 67.23 2dj1 n THR 134 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dj1 s SER 135 N -1.09 -0.36 0.00 3.42 0.15 -1.26 -5.14 113.70 109.42 2dj1 s SER 135 Ca 0.73 0.69 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2dj1 s SER 135 Cb -0.44 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2dj1 s SER 135 CO 0.49 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2dj1 n GLY 136 N 2.01 1.42 3.77 9.45 0.00 -1.26 -4.81 105.19 115.77 2dj1 n GLY 136 Ca -0.12 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 2dj1 n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj1 s PRO 137 N 0.65 3.86 0.69 1.61 0.04 -1.26 -4.93 135.00 135.67 2dj1 s PRO 137 Ca 0.00 1.82 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 2dj1 s PRO 137 Cb 0.00 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.92 2dj1 s PRO 137 CO 0.00 -0.47 0.01 0.43 0.04 0.00 0.00 177.00 177.00 2dj1 n SER 138 N -0.27 -3.13 -1.98 6.66 7.64 -1.26 -4.76 113.62 116.52 2dj1 n SER 138 Ca 0.06 0.53 -0.12 0.00 1.01 0.00 0.00 58.87 60.35 2dj1 n SER 138 Cb 0.47 -0.98 -0.11 0.00 -1.01 0.00 0.00 64.21 62.58 2dj1 n SER 138 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dj1 n SER 139 N 1.56 5.49 0.00 6.43 2.88 -1.26 -5.27 113.62 123.46 2dj1 n SER 139 Ca 0.07 -2.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 2dj1 n SER 139 Cb 0.50 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2dj1 n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42