#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj1 s SER 2 N 0.00 -1.10 0.24 1.61 0.01 -1.26 -5.17 113.70 108.04 2dj1 s SER 2 Ca 0.00 1.56 -0.15 0.00 1.31 0.00 0.00 55.95 58.68 2dj1 s SER 2 Cb 0.00 2.07 0.00 0.00 0.21 0.00 0.00 66.02 68.30 2dj1 s SER 2 CO 0.00 -0.23 0.52 -0.94 0.41 0.00 0.00 173.24 173.01 2dj1 s SER 3 N 2.57 -0.14 0.00 2.44 1.04 -1.26 -5.17 113.70 113.18 2dj1 s SER 3 Ca -0.07 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2dj1 s SER 3 Cb -0.10 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2dj1 s SER 3 CO -0.19 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.47 2dj1 n GLY 4 N -0.39 3.38 3.40 7.32 0.00 -1.26 -5.18 105.19 112.46 2dj1 n GLY 4 Ca -0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2dj1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj1 s SER 5 N 0.00 -0.53 0.46 1.61 0.15 -1.26 -5.16 113.70 108.98 2dj1 s SER 5 Ca 0.00 1.01 -0.21 0.00 0.70 0.00 0.00 55.95 57.45 2dj1 s SER 5 Cb 0.00 1.02 -0.09 0.00 -1.71 0.00 0.00 66.02 65.24 2dj1 s SER 5 CO 0.00 -0.18 1.02 -0.44 1.20 0.00 0.00 173.24 174.84 2dj1 s SER 6 N 0.32 6.53 -0.90 5.45 0.01 -1.26 -4.97 113.70 118.88 2dj1 s SER 6 Ca -0.00 1.88 -0.02 0.00 1.31 0.00 0.00 55.95 59.12 2dj1 s SER 6 Cb -0.04 -2.56 0.33 0.00 0.21 0.00 0.00 66.02 63.96 2dj1 s SER 6 CO -0.00 -0.65 2.00 0.61 0.41 0.00 0.00 173.24 175.61 2dj1 n GLY 7 N -0.27 5.67 3.53 3.44 0.00 -1.26 -4.96 105.19 111.34 2dj1 n GLY 7 Ca 0.08 -2.48 -0.34 0.00 0.00 0.00 0.00 46.02 43.28 2dj1 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dj1 s ASP 8 N -1.09 4.60 -0.37 1.61 1.01 -1.26 -5.01 116.67 116.16 2dj1 s ASP 8 Ca 0.48 -0.09 -0.02 0.00 0.71 0.00 0.00 52.55 53.63 2dj1 s ASP 8 Cb 0.36 -1.37 0.16 0.00 1.01 0.00 0.00 42.92 43.07 2dj1 s ASP 8 CO -0.32 0.29 2.32 0.47 0.21 0.00 0.00 175.17 178.14 2dj1 n ASP 9 N 2.71 6.49 -0.09 0.27 8.00 -1.26 -4.11 116.55 128.56 2dj1 n ASP 9 Ca -0.18 -3.13 -0.09 0.00 0.71 0.00 0.00 54.79 52.10 2dj1 n ASP 9 Cb 0.53 -1.12 -0.15 0.00 -0.02 0.00 0.00 41.12 40.35 2dj1 n ASP 9 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dj1 n ASP 10 N 0.53 0.35 -4.44 -2.24 2.03 -1.26 -4.74 116.55 106.78 2dj1 n ASP 10 Ca 0.38 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 55.25 2dj1 n ASP 10 Cb 0.58 0.97 -0.01 0.00 -0.72 0.00 0.00 41.12 41.94 2dj1 n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dj1 s LEU 11 N -5.38 5.28 0.26 -2.67 1.02 -1.26 -5.00 118.68 110.93 2dj1 s LEU 11 Ca -0.09 -2.78 0.08 0.00 0.02 0.00 0.00 54.13 51.35 2dj1 s LEU 11 Cb 0.06 -2.37 -0.04 0.00 0.02 0.00 0.00 46.19 43.86 2dj1 s LEU 11 CO 0.77 -0.78 0.16 -0.70 0.02 0.00 0.00 176.35 175.83 2dj1 s GLU 12 N 1.51 2.79 -0.11 1.70 2.12 -1.26 -5.12 118.70 120.33 2dj1 s GLU 12 Ca 0.37 -1.14 -0.09 0.00 0.36 0.00 0.00 54.97 54.48 2dj1 s GLU 12 Cb -0.05 -2.48 0.03 0.00 0.26 0.00 0.00 34.13 31.90 2dj1 s GLU 12 CO -0.04 0.38 0.28 0.08 -0.54 0.00 0.00 175.26 175.42 2dj1 s VAL 13 N -2.18 -0.01 0.59 3.70 1.01 -1.26 -4.85 120.40 117.40 2dj1 s VAL 13 Ca 0.33 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2dj1 s VAL 13 Cb -0.07 -0.40 0.08 0.00 0.00 0.00 0.00 36.38 35.99 2dj1 s VAL 13 CO 0.24 0.01 0.82 -0.54 0.00 0.00 0.00 175.10 175.63 2dj1 s LYS 14 N 0.35 2.23 -0.26 2.72 3.01 -1.26 -4.93 119.74 121.61 2dj1 s LYS 14 Ca -0.02 -1.25 -0.23 0.00 -1.01 0.00 0.00 55.97 53.46 2dj1 s LYS 14 Cb -0.03 -2.53 0.07 0.00 -1.01 0.00 0.00 37.83 34.32 2dj1 s LYS 14 CO -0.01 -0.93 0.68 -1.83 0.51 0.00 0.00 175.35 173.77 2dj1 s GLU 15 N -4.79 0.79 -0.28 1.68 -1.05 -1.26 -0.25 118.70 113.54 2dj1 s GLU 15 Ca 0.61 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.39 2dj1 s GLU 15 Cb -0.07 0.38 0.09 0.00 -0.44 0.00 0.00 34.13 34.09 2dj1 s GLU 15 CO 0.40 -0.10 0.05 -1.21 0.95 0.00 0.00 175.26 175.35 2dj1 s GLU 16 N 0.40 1.04 -1.31 -4.83 0.41 0.73 -4.78 118.70 110.36 2dj1 s GLU 16 Ca -0.00 -1.11 -0.05 0.00 -0.41 0.00 0.00 54.97 53.40 2dj1 s GLU 16 Cb -0.05 -2.34 0.01 0.00 -1.78 0.00 0.00 34.13 29.97 2dj1 s GLU 16 CO 0.00 -0.85 0.69 0.09 -0.49 0.00 0.00 175.26 174.71 2dj1 n ASN 17 N 4.73 -5.65 0.00 -0.19 4.13 -1.26 -1.85 115.26 115.17 2dj1 n ASN 17 Ca -0.04 -0.32 0.00 0.00 1.68 0.00 0.00 54.58 55.90 2dj1 n ASN 17 Cb 0.43 -4.42 0.00 0.00 -1.54 0.00 0.00 39.78 34.26 2dj1 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dj1 n GLY 18 N -1.55 3.31 3.53 7.41 0.00 -1.26 -4.82 105.19 111.80 2dj1 n GLY 18 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.49 4.07 0.60 1.61 1.01 -0.77 -4.68 120.40 119.75 2dj1 s VAL 19 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 2dj1 s VAL 19 Cb 0.00 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 2dj1 s VAL 19 CO 0.00 -1.49 1.20 0.26 0.00 0.00 0.00 175.10 175.07 2dj1 s TRP 20 N 4.78 2.41 -0.50 5.22 0.52 -0.59 -0.19 118.94 130.59 2dj1 s TRP 20 Ca 0.33 1.52 -0.10 0.00 0.02 0.00 0.00 56.10 57.87 2dj1 s TRP 20 Cb -0.11 -3.45 0.13 0.00 -1.15 0.00 0.00 33.47 28.89 2dj1 s TRP 20 CO 0.17 -2.14 0.39 0.08 0.02 0.00 0.00 176.95 175.46 2dj1 s VAL 21 N -1.65 4.40 0.44 4.03 1.01 0.65 0.19 120.40 129.47 2dj1 s VAL 21 Ca 0.76 -1.79 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2dj1 s VAL 21 Cb -0.29 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2dj1 s VAL 21 CO 0.33 -0.80 0.70 -0.76 0.00 0.00 0.00 175.10 174.57 2dj1 s LEU 22 N 1.33 3.74 0.21 3.92 1.43 -0.69 -4.03 118.68 124.59 2dj1 s LEU 22 Ca 0.06 0.71 -0.21 0.00 -1.03 0.00 0.00 54.13 53.66 2dj1 s LEU 22 Cb -0.26 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.38 2dj1 s LEU 22 CO -0.00 -0.51 0.63 0.54 0.23 0.00 0.00 176.35 177.23 2dj1 s ASN 23 N -4.10 -0.41 0.46 2.29 4.22 -1.26 -4.53 114.94 111.61 2dj1 s ASN 23 Ca 0.45 -0.28 0.17 0.00 -2.14 0.00 0.00 52.86 51.06 2dj1 s ASN 23 Cb -0.10 0.64 0.95 0.00 1.28 0.00 0.00 41.25 44.02 2dj1 s ASN 23 CO 0.41 -1.11 1.47 0.44 -2.04 0.00 0.00 177.10 176.27 2dj1 h ASP 24 N 2.03 0.00 0.41 3.54 5.19 -1.98 2.14 116.42 127.76 2dj1 h ASP 24 Ca -0.28 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.82 2dj1 h ASP 24 Cb 1.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.77 2dj1 h ASP 24 CO 0.33 0.00 -1.65 1.23 -3.12 0.00 0.00 179.24 176.03 2dj1 h GLY 25 N 0.00 0.21 -0.05 2.75 0.00 -2.00 -3.38 103.07 100.61 2dj1 h GLY 25 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2dj1 h GLY 25 CO 0.00 0.47 0.00 1.16 0.00 0.00 0.00 176.54 178.17 2dj1 n ASN 26 N -3.36 2.26 0.22 0.19 0.23 0.11 -4.69 115.26 110.22 2dj1 n ASN 26 Ca -0.19 -2.67 -0.09 0.00 -0.53 0.00 0.00 54.58 51.10 2dj1 n ASN 26 Cb 1.04 -0.27 -0.04 0.00 -2.08 0.00 0.00 39.78 38.43 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 0.06 -0.53 -0.28 -2.53 3.57 0.31 -1.40 116.94 116.14 2dj1 h PHE 27 Ca 0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2dj1 h PHE 27 Cb 0.82 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2dj1 h PHE 27 CO 0.01 -0.33 -0.03 0.38 -2.23 0.00 0.00 178.31 176.12 2dj1 h ASP 28 N -0.78 0.50 -0.62 0.41 2.03 -1.84 -1.97 116.42 114.15 2dj1 h ASP 28 Ca -0.06 -0.33 0.10 0.00 -0.73 0.00 0.00 57.03 56.01 2dj1 h ASP 28 Cb 0.44 -0.14 -0.07 0.00 -0.83 0.00 0.00 39.33 38.73 2dj1 h ASP 28 CO 0.10 0.72 0.23 0.78 -1.03 0.00 0.00 179.24 180.03 2dj1 h ASN 29 N 0.28 0.22 0.63 4.15 2.35 -1.84 1.05 115.58 122.42 2dj1 h ASN 29 Ca 0.08 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2dj1 h ASN 29 Cb 0.47 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.91 2dj1 h ASN 29 CO 0.02 0.13 -0.30 0.15 -1.65 0.00 0.00 177.43 175.78 2dj1 h PHE 30 N 0.41 -0.78 0.00 1.19 3.57 -1.18 -2.78 116.94 117.37 2dj1 h PHE 30 Ca 0.31 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2dj1 h PHE 30 Cb 0.39 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2dj1 h PHE 30 CO -0.17 -0.44 0.00 1.33 -2.23 0.00 0.00 178.31 176.80 2dj1 n VAL 31 N -5.36 0.00 0.10 1.41 0.24 -0.75 -3.62 118.33 110.35 2dj1 n VAL 31 Ca -0.12 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 2dj1 n VAL 31 Cb 0.36 -0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 32.09 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 2.99 -0.31 -1.25 2.33 0.00 0.14 -3.10 119.26 120.06 2dj1 h ALA 32 Ca 0.00 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 2dj1 h ALA 32 Cb 0.00 0.30 -0.38 0.00 0.00 0.00 0.00 17.79 17.72 2dj1 h ALA 32 CO 0.00 -0.71 -0.20 -3.47 0.00 0.00 0.00 179.25 174.87 2dj1 n ASP 33 N -5.32 5.63 -3.66 0.00 2.03 -1.24 -4.92 116.55 109.07 2dj1 n ASP 33 Ca -0.06 -3.76 -0.29 0.00 0.52 0.00 0.00 54.79 51.19 2dj1 n ASP 33 Cb 0.23 -0.63 -0.15 0.00 -0.72 0.00 0.00 41.12 39.86 2dj1 n ASP 33 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dj1 s LYS 34 N -3.70 0.52 0.27 -0.67 1.02 -1.17 -5.01 119.74 110.98 2dj1 s LYS 34 Ca 0.51 -0.86 -0.10 0.00 0.02 0.00 0.00 55.97 55.53 2dj1 s LYS 34 Cb 0.42 -1.68 0.41 0.00 -0.52 0.00 0.00 37.83 36.45 2dj1 s LYS 34 CO -0.20 -1.00 1.57 -0.44 -0.92 0.00 0.00 175.35 174.36 2dj1 h ASP 35 N 8.21 -0.97 -4.02 2.83 5.19 -1.91 -3.39 116.42 122.35 2dj1 h ASP 35 Ca -0.16 0.29 -0.49 0.00 -0.62 0.00 0.00 57.03 56.05 2dj1 h ASP 35 Cb 1.01 0.62 -0.30 0.00 0.18 0.00 0.00 39.33 40.84 2dj1 h ASP 35 CO 0.46 -0.31 -0.81 -0.89 -3.12 0.00 0.00 179.24 174.56 2dj1 s THR 36 N -6.21 1.10 -0.05 0.35 2.01 -1.26 -1.77 115.64 109.82 2dj1 s THR 36 Ca -0.15 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2dj1 s THR 36 Cb 0.25 -0.94 0.03 0.00 0.01 0.00 0.00 72.50 71.85 2dj1 s THR 36 CO 0.77 0.32 0.02 -0.69 -0.69 0.00 0.00 174.62 174.34 2dj1 s VAL 37 N -0.09 0.17 -0.45 3.82 1.01 -0.74 -4.53 120.40 119.58 2dj1 s VAL 37 Ca 0.01 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 2dj1 s VAL 37 Cb -0.08 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.00 2dj1 s VAL 37 CO 0.00 0.20 0.74 -0.22 0.00 0.00 0.00 175.10 175.82 2dj1 s LEU 38 N 1.67 4.34 -0.16 3.92 2.96 -1.23 -1.06 118.68 129.12 2dj1 s LEU 38 Ca -0.01 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 2dj1 s LEU 38 Cb -0.13 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2dj1 s LEU 38 CO -0.03 -0.88 0.03 -0.76 -1.32 0.00 0.00 176.35 173.38 2dj1 s LEU 39 N 3.15 3.64 -0.12 -0.68 1.43 -1.09 -2.26 118.68 122.75 2dj1 s LEU 39 Ca 0.27 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2dj1 s LEU 39 Cb -0.13 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2dj1 s LEU 39 CO 0.21 0.21 -0.11 -0.70 0.23 0.00 0.00 176.35 176.19 2dj1 s GLU 40 N 0.17 1.83 0.02 1.70 -6.30 -1.02 -0.59 118.70 114.50 2dj1 s GLU 40 Ca 0.02 -0.39 -0.17 0.00 -2.50 0.00 0.00 54.97 51.94 2dj1 s GLU 40 Cb -0.13 -1.74 -0.06 0.00 0.00 0.00 0.00 34.13 32.21 2dj1 s GLU 40 CO 0.01 -0.20 0.48 -0.06 0.02 0.00 0.00 175.26 175.51 2dj1 s PHE 41 N 1.45 3.74 0.19 5.30 0.40 -0.30 -1.01 117.98 127.75 2dj1 s PHE 41 Ca 0.01 1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 57.39 2dj1 s PHE 41 Cb -0.13 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.98 2dj1 s PHE 41 CO -0.07 0.58 0.23 1.52 0.70 0.00 0.00 175.22 178.19 2dj1 s TYR 42 N -0.95 0.74 -0.00 0.36 -0.85 -1.16 -2.69 117.35 112.80 2dj1 s TYR 42 Ca 0.26 -1.06 0.01 0.00 -0.52 0.00 0.00 57.07 55.77 2dj1 s TYR 42 Cb -0.18 -0.26 -0.00 0.00 0.38 0.00 0.00 41.96 41.90 2dj1 s TYR 42 CO 0.15 -0.72 -0.04 0.00 -1.52 0.00 0.00 175.55 173.42 2dj1 s ALA 43 N -4.06 0.36 0.14 9.51 0.00 -1.26 -3.82 121.76 122.63 2dj1 s ALA 43 Ca 0.27 -0.22 0.33 0.00 0.00 0.00 0.00 51.96 52.34 2dj1 s ALA 43 Cb 0.04 -0.08 1.36 0.00 0.00 0.00 0.00 23.12 24.45 2dj1 s ALA 43 CO 0.07 0.07 1.99 -1.00 0.00 0.00 0.00 175.76 176.89 2dj1 h PRO 44 N 5.92 0.00 0.00 0.00 0.13 -2.02 -2.86 132.00 133.18 2dj1 h PRO 44 Ca -0.28 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.64 2dj1 h PRO 44 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2dj1 h PRO 44 CO 0.50 0.03 -1.44 0.11 -0.23 0.00 0.00 178.00 176.97 2dj1 h TRP 45 N 0.00 0.00 -2.65 1.56 5.08 -2.06 -3.45 115.95 114.43 2dj1 h TRP 45 Ca -0.00 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.41 2dj1 h TRP 45 Cb 0.51 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.64 2dj1 h TRP 45 CO 0.00 0.77 1.26 0.00 -1.28 0.00 0.00 178.44 179.19 2dj1 h GLY 47 N 13.89 0.02 -0.78 0.00 0.00 -1.87 -3.01 103.07 111.31 2dj1 h GLY 47 Ca -0.32 -0.01 0.31 0.00 0.00 0.00 0.00 47.33 47.32 2dj1 h GLY 47 CO 1.07 0.01 0.31 0.45 0.00 0.00 0.00 176.54 178.38 2dj1 h HIS 48 N -0.20 0.45 -0.68 5.60 3.86 -1.95 0.51 115.15 122.75 2dj1 h HIS 48 Ca 0.00 0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.40 2dj1 h HIS 48 Cb 0.21 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 28.54 2dj1 h HIS 48 CO -0.00 -0.36 0.13 0.00 0.86 0.00 0.00 177.93 178.57 2dj1 h LYS 50 N 0.25 0.32 -0.08 0.00 1.57 -0.07 0.93 116.57 119.49 2dj1 h LYS 50 Ca 0.37 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.95 2dj1 h LYS 50 Cb 0.60 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2dj1 h LYS 50 CO -0.48 0.21 -0.72 1.96 -0.57 0.00 0.00 179.45 179.85 2dj1 h GLN 51 N 0.33 0.41 -0.10 3.15 4.20 -0.94 -2.96 115.11 119.20 2dj1 h GLN 51 Ca 0.72 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2dj1 h GLN 51 Cb 1.73 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.58 2dj1 h GLN 51 CO -0.53 0.97 0.00 0.34 -0.67 0.00 0.00 178.83 178.94 2dj1 n PHE 52 N -3.84 0.12 0.36 2.96 7.35 0.26 -4.24 117.46 120.42 2dj1 n PHE 52 Ca -0.04 -0.06 -0.15 0.00 -0.76 0.00 0.00 57.45 56.44 2dj1 n PHE 52 Cb 0.70 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.46 2dj1 n PHE 52 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dj1 h ALA 53 N 4.13 -0.97 0.00 3.13 0.00 0.60 -2.14 119.26 124.01 2dj1 h ALA 53 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2dj1 h ALA 53 Cb 0.45 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2dj1 h ALA 53 CO 0.00 -0.90 0.00 -0.35 0.00 0.00 0.00 179.25 178.00 2dj1 n PRO 54 N -5.32 0.05 0.09 0.00 -0.04 -1.26 -2.74 135.00 125.78 2dj1 n PRO 54 Ca -0.12 0.30 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 2dj1 n PRO 54 Cb 0.37 -1.60 -0.15 0.00 -0.04 0.00 0.00 33.50 32.09 2dj1 n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2dj1 h GLU 55 N 0.00 0.41 -0.17 0.54 4.57 -1.72 -3.31 114.58 114.90 2dj1 h GLU 55 Ca 0.00 -0.70 -0.05 0.00 -1.18 0.00 0.00 59.36 57.43 2dj1 h GLU 55 Cb 0.27 0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2dj1 h GLU 55 CO 0.00 1.32 -0.07 -0.92 -1.18 0.00 0.00 179.01 178.16 2dj1 h TYR 56 N 0.11 0.41 -0.93 0.92 3.20 -1.19 -3.10 116.97 116.39 2dj1 h TYR 56 Ca -0.31 -0.10 0.21 0.00 3.14 0.00 0.00 58.73 61.67 2dj1 h TYR 56 Cb 2.11 -0.09 -0.12 0.00 1.54 0.00 0.00 36.73 40.17 2dj1 h TYR 56 CO 0.10 0.66 0.48 1.05 -1.64 0.00 0.00 178.16 178.81 2dj1 h GLU 57 N 0.04 0.53 -0.22 1.82 -0.00 -1.69 -1.05 114.58 114.00 2dj1 h GLU 57 Ca 0.04 -0.03 0.06 0.00 -0.00 0.00 0.00 59.36 59.43 2dj1 h GLU 57 Cb 0.54 -0.12 -0.07 0.00 -0.00 0.00 0.00 28.75 29.11 2dj1 h GLU 57 CO 0.02 0.35 -0.27 0.87 -0.00 0.00 0.00 179.01 179.99 2dj1 h LYS 58 N 0.54 -0.28 -0.66 1.06 1.57 -1.63 -0.62 116.57 116.57 2dj1 h LYS 58 Ca 0.56 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.40 2dj1 h LYS 58 Cb 0.99 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 2dj1 h LYS 58 CO -0.46 -0.19 0.43 0.82 -0.57 0.00 0.00 179.45 179.49 2dj1 h ILE 59 N -0.29 1.06 -0.98 1.86 2.04 -1.28 -2.78 117.51 117.15 2dj1 h ILE 59 Ca 0.13 -0.25 0.16 0.00 1.00 0.00 0.00 64.86 65.89 2dj1 h ILE 59 Cb 0.49 0.26 -0.16 0.00 -0.74 0.00 0.00 36.82 36.66 2dj1 h ILE 59 CO -0.38 0.14 -0.37 0.00 0.00 0.00 0.00 178.15 177.53 2dj1 h ALA 60 N 1.63 0.21 -0.09 1.87 0.00 -0.60 0.75 119.26 123.03 2dj1 h ALA 60 Ca 0.27 0.29 -0.07 0.00 0.00 0.00 0.00 54.91 55.40 2dj1 h ALA 60 Cb 0.13 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dj1 h ALA 60 CO -0.08 -0.60 -0.20 0.77 0.00 0.00 0.00 179.25 179.14 2dj1 h SER 61 N -0.01 0.34 -0.41 0.00 0.02 -1.52 -2.14 113.55 109.83 2dj1 h SER 61 Ca 0.36 -0.57 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 2dj1 h SER 61 Cb 0.61 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 2dj1 h SER 61 CO -0.98 0.85 -0.47 0.74 -1.14 0.00 0.00 176.83 175.83 2dj1 h THR 62 N -0.16 0.00 -0.31 -2.27 2.02 -0.83 0.09 112.91 111.45 2dj1 h THR 62 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2dj1 h THR 62 Cb 0.80 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2dj1 h THR 62 CO 0.04 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.84 2dj1 h LEU 63 N -0.29 0.46 -0.91 2.58 3.38 -1.05 -2.69 115.31 116.80 2dj1 h LEU 63 Ca 0.07 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.07 2dj1 h LEU 63 Cb 0.48 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 40.97 2dj1 h LEU 63 CO -0.54 0.55 -0.45 0.50 0.09 0.00 0.00 178.44 178.59 2dj1 h LYS 64 N 0.47 -0.05 -0.02 1.13 3.64 -0.27 0.49 116.57 121.96 2dj1 h LYS 64 Ca 0.10 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 2dj1 h LYS 64 Cb 0.35 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2dj1 h LYS 64 CO 0.01 -0.03 -0.93 -0.44 -2.27 0.00 0.00 179.45 175.79 2dj1 h ASP 65 N -0.05 0.67 -1.46 4.20 3.32 -1.43 -3.34 116.42 118.34 2dj1 h ASP 65 Ca 0.26 -0.52 -0.44 0.00 0.02 0.00 0.00 57.03 56.36 2dj1 h ASP 65 Cb 0.54 -0.20 0.13 0.00 0.22 0.00 0.00 39.33 40.02 2dj1 h ASP 65 CO -0.91 1.31 -0.85 -3.20 -1.72 0.00 0.00 179.24 173.88 2dj1 n ASN 66 N -3.80 -2.69 -4.34 6.45 5.15 0.15 -4.52 115.26 111.66 2dj1 n ASN 66 Ca -0.08 0.47 -0.34 0.00 -0.60 0.00 0.00 54.58 54.03 2dj1 n ASN 66 Cb 0.83 -0.62 -0.14 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.73 4.25 0.89 1.20 -1.08 -1.26 -1.08 116.67 118.86 2dj1 s ASP 67 Ca 0.41 -0.35 -0.11 0.00 -0.52 0.00 0.00 52.55 51.97 2dj1 s ASP 67 Cb -0.36 -1.71 0.12 0.00 -1.46 0.00 0.00 42.92 39.52 2dj1 s ASP 67 CO 0.48 0.05 1.09 -2.16 0.52 0.00 0.00 175.17 175.15 2dj1 s PRO 68 N 1.08 1.34 -0.61 4.34 0.04 -1.26 -5.01 135.00 134.91 2dj1 s PRO 68 Ca 0.01 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 61.63 2dj1 s PRO 68 Cb -0.15 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2dj1 s PRO 68 CO -0.01 -2.20 1.86 -1.25 0.04 0.00 0.00 177.00 175.45 2dj1 s PRO 69 N -4.93 2.63 0.39 0.56 0.04 -0.24 -4.95 135.00 128.50 2dj1 s PRO 69 Ca 0.63 0.61 -0.08 0.00 0.04 0.00 0.00 61.00 62.20 2dj1 s PRO 69 Cb -0.18 -4.39 -0.06 0.00 0.04 0.00 0.00 34.50 29.92 2dj1 s PRO 69 CO 0.57 -2.73 0.72 0.42 0.04 0.00 0.00 177.00 176.02 2dj1 s ILE 70 N 9.07 4.87 -0.23 0.56 1.01 -1.15 -4.99 121.20 130.34 2dj1 s ILE 70 Ca 0.67 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.74 2dj1 s ILE 70 Cb -0.13 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.63 2dj1 s ILE 70 CO 0.21 -0.54 -0.14 0.00 0.00 0.00 0.00 174.94 174.47 2dj1 s ALA 71 N -2.38 2.48 -0.18 9.38 0.00 -1.26 -3.42 121.76 126.39 2dj1 s ALA 71 Ca 0.49 -1.57 -0.26 0.00 0.00 0.00 0.00 51.96 50.61 2dj1 s ALA 71 Cb -0.10 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2dj1 s ALA 71 CO 0.34 -0.90 0.88 0.08 0.00 0.00 0.00 175.76 176.16 2dj1 s VAL 72 N 1.17 4.84 0.00 0.00 1.01 -1.26 -3.55 120.40 122.61 2dj1 s VAL 72 Ca -0.04 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.68 2dj1 s VAL 72 Cb -0.17 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2dj1 s VAL 72 CO -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 175.10 174.98 2dj1 s ALA 73 N 2.33 0.18 0.18 5.51 0.00 -0.96 -1.55 121.76 127.45 2dj1 s ALA 73 Ca 0.40 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.21 2dj1 s ALA 73 Cb -0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2dj1 s ALA 73 CO 0.12 0.01 0.21 -1.59 0.00 0.00 0.00 175.76 174.51 2dj1 s LYS 74 N -0.34 3.12 -0.02 0.00 -2.85 0.13 -2.45 119.74 117.34 2dj1 s LYS 74 Ca -0.02 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 2dj1 s LYS 74 Cb -0.03 -2.76 0.02 0.00 -2.06 0.00 0.00 37.83 33.01 2dj1 s LYS 74 CO -0.00 0.48 0.01 0.42 0.10 0.00 0.00 175.35 176.35 2dj1 s ILE 75 N -1.83 0.08 -1.06 3.79 1.01 -0.18 -1.70 121.20 121.31 2dj1 s ILE 75 Ca 0.33 0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.84 2dj1 s ILE 75 Cb -0.10 -0.16 0.06 0.00 0.01 0.00 0.00 42.46 42.27 2dj1 s ILE 75 CO 0.26 0.09 1.49 -1.81 0.00 0.00 0.00 174.94 174.97 2dj1 s ASP 76 N 0.74 6.56 0.27 3.58 1.11 -1.26 -2.99 116.67 124.69 2dj1 s ASP 76 Ca -0.07 -1.64 -0.04 0.00 0.18 0.00 0.00 52.55 50.99 2dj1 s ASP 76 Cb -0.10 -2.57 0.56 0.00 1.07 0.00 0.00 42.92 41.89 2dj1 s ASP 76 CO -0.02 -1.44 1.61 0.00 1.18 0.00 0.00 175.17 176.51 2dj1 h ALA 77 N 9.39 0.94 -0.96 5.23 0.00 -1.82 0.41 119.26 132.44 2dj1 h ALA 77 Ca 0.24 0.28 0.29 0.00 0.00 0.00 0.00 54.91 55.73 2dj1 h ALA 77 Cb 0.99 0.49 -0.15 0.00 0.00 0.00 0.00 17.79 19.12 2dj1 h ALA 77 CO 1.42 -0.47 0.45 1.79 0.00 0.00 0.00 179.25 182.44 2dj1 h THR 78 N 0.08 0.29 0.19 0.00 1.35 -1.89 0.31 112.91 113.24 2dj1 h THR 78 Ca 0.49 -0.09 -0.35 0.00 -0.55 0.00 0.00 66.41 65.91 2dj1 h THR 78 Cb 0.92 -0.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.34 2dj1 h THR 78 CO -0.77 0.05 -1.69 -1.28 -0.25 0.00 0.00 175.52 171.58 2dj1 h SER 79 N 0.27 0.63 -2.48 5.36 0.87 -0.69 -3.42 113.55 114.10 2dj1 h SER 79 Ca 0.67 -0.89 -0.62 0.00 -1.23 0.00 0.00 61.79 59.73 2dj1 h SER 79 Cb 1.49 -0.21 -0.13 0.00 -0.44 0.00 0.00 62.40 63.11 2dj1 h SER 79 CO -0.63 1.74 0.73 0.00 -0.53 0.00 0.00 176.83 178.14 2dj1 s ALA 80 N -2.59 3.05 -0.07 6.23 0.00 0.10 -4.88 121.76 123.60 2dj1 s ALA 80 Ca -0.14 -1.89 -0.10 0.00 0.00 0.00 0.00 51.96 49.83 2dj1 s ALA 80 Cb 0.05 -4.00 -0.07 0.00 0.00 0.00 0.00 23.12 19.11 2dj1 s ALA 80 CO 0.87 -2.95 0.40 1.03 0.00 0.00 0.00 175.76 175.11 2dj1 h SER 81 N 9.58 -0.21 0.11 0.00 0.87 -1.83 -2.55 113.55 119.53 2dj1 h SER 81 Ca -0.20 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.28 2dj1 h SER 81 Cb 1.06 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.03 2dj1 h SER 81 CO 1.21 0.30 -0.50 -0.03 -0.53 0.00 0.00 176.83 177.27 2dj1 h MET 82 N -1.04 -0.69 -0.58 2.24 1.85 -1.93 -1.00 114.93 113.78 2dj1 h MET 82 Ca -0.03 0.05 0.11 0.00 -0.61 0.00 0.00 59.70 59.22 2dj1 h MET 82 Cb 0.28 0.16 -0.09 0.00 0.43 0.00 0.00 31.60 32.38 2dj1 h MET 82 CO 0.04 -0.46 0.09 -0.07 -0.40 0.00 0.00 176.91 176.12 2dj1 h LEU 83 N -0.71 -0.06 -0.36 3.39 3.38 -1.96 0.50 115.31 119.48 2dj1 h LEU 83 Ca -0.01 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.16 2dj1 h LEU 83 Cb 0.72 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 2dj1 h LEU 83 CO -0.28 -0.02 -0.17 0.00 0.09 0.00 0.00 178.44 178.07 2dj1 h ALA 84 N 1.48 0.12 -0.64 1.53 0.00 -0.95 -1.37 119.26 119.43 2dj1 h ALA 84 Ca 0.30 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2dj1 h ALA 84 Cb 0.46 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2dj1 h ALA 84 CO -0.42 -0.54 0.10 1.03 0.00 0.00 0.00 179.25 179.43 2dj1 h SER 85 N -0.10 0.99 -0.57 0.00 0.87 -0.27 0.20 113.55 114.67 2dj1 h SER 85 Ca 0.18 -0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.60 2dj1 h SER 85 Cb 0.38 -0.26 -0.10 0.00 -0.44 0.00 0.00 62.40 61.97 2dj1 h SER 85 CO -0.43 0.99 -0.45 0.50 -0.53 0.00 0.00 176.83 176.90 2dj1 h LYS 86 N 0.98 -0.23 -1.00 2.24 3.64 0.21 0.24 116.57 122.65 2dj1 h LYS 86 Ca 0.20 0.02 -0.41 0.00 -1.27 0.00 0.00 60.65 59.18 2dj1 h LYS 86 Cb 0.42 0.05 -0.24 0.00 -0.41 0.00 0.00 32.23 32.05 2dj1 h LYS 86 CO 0.01 -0.15 0.52 1.19 -2.27 0.00 0.00 179.45 178.74 2dj1 n PHE 87 N -5.40 2.40 -3.75 1.91 3.01 -1.06 -4.89 117.46 109.68 2dj1 n PHE 87 Ca 0.01 -1.57 -0.29 0.00 1.01 0.00 0.00 57.45 56.61 2dj1 n PHE 87 Cb 0.35 -0.80 -0.06 0.00 -0.01 0.00 0.00 39.48 38.95 2dj1 n PHE 87 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2dj1 n ASP 88 N -0.78 -0.75 -4.55 4.37 8.00 0.86 -4.68 116.55 119.02 2dj1 n ASP 88 Ca 0.47 -0.91 -0.28 0.00 0.71 0.00 0.00 54.79 54.78 2dj1 n ASP 88 Cb 1.40 -1.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 2dj1 n ASP 88 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dj1 s VAL 89 N -3.03 3.11 -0.33 2.53 1.01 0.67 -4.76 120.40 119.61 2dj1 s VAL 89 Ca 0.44 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.47 2dj1 s VAL 89 Cb -0.26 -3.26 0.46 0.00 0.00 0.00 0.00 36.38 33.32 2dj1 s VAL 89 CO 0.74 -0.25 1.30 -1.54 0.00 0.00 0.00 175.10 175.35 2dj1 n SER 90 N 16.22 4.85 0.00 3.32 3.41 -1.26 -4.85 113.62 135.30 2dj1 n SER 90 Ca 0.38 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.22 2dj1 n SER 90 Cb 0.50 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2dj1 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj1 n GLY 91 N -0.79 0.04 3.59 5.00 0.00 -1.26 -5.18 105.19 106.59 2dj1 n GLY 91 Ca 0.43 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 2dj1 n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dj1 s TYR 92 N -2.00 -0.63 0.79 1.61 1.51 -1.26 -4.32 117.35 113.05 2dj1 s TYR 92 Ca 0.00 1.33 -0.11 0.00 -1.01 0.00 0.00 57.07 57.28 2dj1 s TYR 92 Cb 0.00 0.36 0.07 0.00 -0.11 0.00 0.00 41.96 42.28 2dj1 s TYR 92 CO 0.00 -0.43 1.09 -1.25 -1.11 0.00 0.00 175.55 173.85 2dj1 s PRO 93 N -0.41 2.11 -0.19 -1.71 0.04 -1.26 -4.89 135.00 128.69 2dj1 s PRO 93 Ca -0.04 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 2dj1 s PRO 93 Cb -0.03 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.72 2dj1 s PRO 93 CO 0.03 -1.73 0.26 0.99 0.04 0.00 0.00 177.00 176.59 2dj1 s THR 94 N -2.91 -0.40 -0.10 1.26 2.01 -1.09 -5.02 115.64 109.39 2dj1 s THR 94 Ca 0.61 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.53 2dj1 s THR 94 Cb -0.17 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 2dj1 s THR 94 CO 0.56 -0.09 0.22 -0.63 -0.69 0.00 0.00 174.62 173.99 2dj1 s ILE 95 N 2.39 5.37 0.24 1.82 1.01 -1.26 -1.15 121.20 129.62 2dj1 s ILE 95 Ca 0.06 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.11 2dj1 s ILE 95 Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 2dj1 s ILE 95 CO -0.12 0.58 0.10 -0.54 0.00 0.00 0.00 174.94 174.96 2dj1 s LYS 96 N -0.86 1.35 -0.09 2.79 -0.14 0.25 -3.39 119.74 119.65 2dj1 s LYS 96 Ca 0.17 -1.72 -0.01 0.00 -1.36 0.00 0.00 55.97 53.04 2dj1 s LYS 96 Cb -0.13 -0.18 0.03 0.00 -1.68 0.00 0.00 37.83 35.87 2dj1 s LYS 96 CO 0.06 -0.30 -0.02 0.42 -0.76 0.00 0.00 175.35 174.75 2dj1 s ILE 97 N -3.81 0.58 -0.42 2.17 1.01 -0.80 -2.67 121.20 117.25 2dj1 s ILE 97 Ca 0.37 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 2dj1 s ILE 97 Cb 0.08 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.85 2dj1 s ILE 97 CO 0.13 0.27 0.47 -0.22 0.00 0.00 0.00 174.94 175.58 2dj1 s LEU 98 N 1.89 4.78 -0.37 2.97 2.96 -0.22 -1.28 118.68 129.40 2dj1 s LEU 98 Ca 0.05 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 2dj1 s LEU 98 Cb -0.13 -2.44 0.05 0.00 0.50 0.00 0.00 46.19 44.17 2dj1 s LEU 98 CO -0.06 -0.60 0.17 -0.54 -1.32 0.00 0.00 176.35 174.00 2dj1 s LYS 99 N 2.25 2.65 -0.55 1.98 -0.14 0.07 -1.79 119.74 124.21 2dj1 s LYS 99 Ca 0.14 -1.23 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 2dj1 s LYS 99 Cb -0.17 -3.61 0.00 0.00 -1.68 0.00 0.00 37.83 32.37 2dj1 s LYS 99 CO 0.14 -0.75 0.00 1.63 -0.76 0.00 0.00 175.35 175.61 2dj1 n LYS 100 N 4.88 -1.89 0.00 1.68 5.02 -0.73 0.15 118.16 127.28 2dj1 n LYS 100 Ca -0.11 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2dj1 n LYS 100 Cb 0.44 -4.64 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 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 1.13 3.52 0.72 0.00 -1.26 -5.09 105.19 103.83 2dj1 n GLY 101 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2dj1 n GLY 101 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dj1 s GLN 102 N -0.35 3.74 -0.43 1.61 0.74 0.41 -5.07 119.66 120.31 2dj1 s GLN 102 Ca 0.00 -0.47 -0.24 0.00 0.05 0.00 0.00 55.36 54.69 2dj1 s GLN 102 Cb 0.00 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 31.09 2dj1 s GLN 102 CO 0.00 0.19 0.86 0.00 -0.55 0.00 0.00 175.29 175.80 2dj1 s ALA 103 N 0.53 3.31 -0.25 1.58 0.00 -1.26 -0.75 121.76 124.91 2dj1 s ALA 103 Ca -0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2dj1 s ALA 103 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.46 2dj1 s ALA 103 CO 0.02 -1.85 -0.02 0.08 0.00 0.00 0.00 175.76 173.99 2dj1 s VAL 104 N 3.47 3.29 0.21 0.00 1.01 -0.41 -4.99 120.40 122.99 2dj1 s VAL 104 Ca 0.34 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2dj1 s VAL 104 Cb -0.11 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 2dj1 s VAL 104 CO 0.23 0.23 1.29 1.51 0.00 0.00 0.00 175.10 178.35 2dj1 s ASP 105 N 1.41 6.92 -0.08 3.32 1.47 -1.26 -1.91 116.67 126.54 2dj1 s ASP 105 Ca 0.02 2.39 -0.01 0.00 1.18 0.00 0.00 52.55 56.14 2dj1 s ASP 105 Cb -0.16 -2.61 -0.00 0.00 -0.34 0.00 0.00 42.92 39.80 2dj1 s ASP 105 CO -0.02 -0.50 -0.02 0.22 0.68 0.00 0.00 175.17 175.53 2dj1 h TYR 106 N 5.19 0.00 -6.73 2.11 3.20 -1.93 -3.48 116.97 115.33 2dj1 h TYR 106 Ca -0.45 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 60.87 2dj1 h TYR 106 Cb 1.21 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.33 2dj1 h TYR 106 CO 0.62 0.00 -0.88 -0.25 -1.64 0.00 0.00 178.16 176.00 2dj1 n ASP 107 N -4.08 -1.36 -4.31 -2.11 8.00 -1.26 -4.94 116.55 106.48 2dj1 n ASP 107 Ca -0.01 -1.07 -0.25 0.00 0.71 0.00 0.00 54.79 54.18 2dj1 n ASP 107 Cb 0.03 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.12 38.41 2dj1 n ASP 107 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2dj1 s GLY 108 N -3.89 2.48 0.07 0.44 0.00 -1.26 -5.10 107.32 100.06 2dj1 s GLY 108 Ca 0.34 -1.42 -0.31 0.00 0.00 0.00 0.00 44.72 43.33 2dj1 s GLY 108 CO 0.93 -1.88 1.76 -0.56 0.00 0.00 0.00 173.10 173.36 2dj1 s SER 109 N -3.60 6.53 -1.10 1.64 0.01 -1.26 -4.86 113.70 111.06 2dj1 s SER 109 Ca 0.26 2.58 -0.23 0.00 1.31 0.00 0.00 55.95 59.86 2dj1 s SER 109 Cb 0.05 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 2dj1 s SER 109 CO 0.13 -0.96 1.94 0.54 0.41 0.00 0.00 173.24 175.31 2dj1 n ARG 110 N 6.15 1.41 -4.01 12.44 1.74 -1.26 -4.05 116.66 129.08 2dj1 n ARG 110 Ca 0.17 -2.29 -0.13 0.00 -0.77 0.00 0.00 57.85 54.84 2dj1 n ARG 110 Cb 0.40 -3.63 -0.13 0.00 -1.02 0.00 0.00 32.46 28.09 2dj1 n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2dj1 s THR 111 N 10.85 0.23 0.44 0.55 -4.23 -1.26 -5.00 115.64 117.22 2dj1 s THR 111 Ca 0.68 -0.43 0.20 0.00 -1.18 0.00 0.00 61.69 60.96 2dj1 s THR 111 Cb 0.01 -0.26 0.40 0.00 1.34 0.00 0.00 72.50 73.99 2dj1 s THR 111 CO 0.14 -0.13 1.86 1.56 -0.54 0.00 0.00 174.62 177.51 2dj1 h GLN 112 N 5.52 0.32 0.44 3.99 4.20 -1.92 0.29 115.11 127.96 2dj1 h GLN 112 Ca -0.29 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 2dj1 h GLN 112 Cb 1.20 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2dj1 h GLN 112 CO 0.47 0.21 -0.21 0.93 -0.67 0.00 0.00 178.83 179.56 2dj1 h GLU 113 N 0.33 -0.57 0.33 1.46 5.08 -1.95 -2.77 114.58 116.49 2dj1 h GLU 113 Ca 0.47 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.85 2dj1 h GLU 113 Cb 1.28 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2dj1 h GLU 113 CO -0.15 -0.32 -0.16 0.93 -1.00 0.00 0.00 179.01 178.31 2dj1 h GLU 114 N -1.10 -0.43 -0.89 2.33 4.39 -1.67 0.72 114.58 117.93 2dj1 h GLU 114 Ca -0.06 0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.84 2dj1 h GLU 114 Cb 0.52 0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 29.10 2dj1 h GLU 114 CO 0.10 -0.29 -0.24 -0.89 -1.16 0.00 0.00 179.01 176.53 2dj1 n ILE 115 N -3.30 -0.39 0.02 3.13 5.41 0.96 0.12 119.36 125.32 2dj1 n ILE 115 Ca -0.06 2.05 -0.11 0.00 1.00 0.00 0.00 62.75 65.63 2dj1 n ILE 115 Cb 0.18 -2.81 0.01 0.00 -0.71 0.00 0.00 39.64 36.31 2dj1 n ILE 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj1 h VAL 116 N 0.00 1.34 0.00 1.39 2.07 -1.46 -2.26 116.25 117.33 2dj1 h VAL 116 Ca 0.41 -2.02 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 2dj1 h VAL 116 Cb 0.63 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2dj1 h VAL 116 CO -0.91 0.62 -0.12 0.00 0.02 0.00 0.00 177.57 177.18 2dj1 h ALA 117 N 0.87 1.71 0.00 1.67 0.00 0.75 0.15 119.26 124.41 2dj1 h ALA 117 Ca -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2dj1 h ALA 117 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2dj1 h ALA 117 CO 0.13 0.15 -0.25 -0.22 0.00 0.00 0.00 179.25 179.06 2dj1 h LYS 118 N 0.00 0.00 -0.51 0.00 1.63 -0.19 -2.65 116.57 114.85 2dj1 h LYS 118 Ca -0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2dj1 h LYS 118 Cb 0.23 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 2dj1 h LYS 118 CO 0.02 0.53 0.34 0.28 -3.45 0.00 0.00 179.45 177.16 2dj1 h VAL 119 N -1.00 1.08 -0.09 2.00 2.07 -1.35 0.34 116.25 119.29 2dj1 h VAL 119 Ca -0.05 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 2dj1 h VAL 119 Cb 0.64 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2dj1 h VAL 119 CO -0.03 0.11 -0.38 0.08 0.02 0.00 0.00 177.57 177.37 2dj1 h ARG 120 N 0.61 0.42 -0.16 1.57 0.11 -0.84 -2.19 114.38 113.90 2dj1 h ARG 120 Ca 0.20 -0.33 -0.12 0.00 0.10 0.00 0.00 59.98 59.84 2dj1 h ARG 120 Cb 0.05 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 2dj1 h ARG 120 CO -0.05 0.96 -0.41 1.05 0.10 0.00 0.00 179.97 181.62 2dj1 h GLU 121 N -0.03 0.37 0.28 0.08 4.11 -1.06 -3.24 114.58 115.09 2dj1 h GLU 121 Ca -0.02 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 2dj1 h GLU 121 Cb 1.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2dj1 h GLU 121 CO 0.08 0.72 -0.14 0.28 0.07 0.00 0.00 179.01 180.03 2dj1 h VAL 122 N 0.31 0.72 -1.16 -1.06 2.07 -0.37 -3.10 116.25 113.66 2dj1 h VAL 122 Ca 0.03 -0.66 0.43 0.00 0.82 0.00 0.00 66.70 67.32 2dj1 h VAL 122 Cb 0.85 1.06 -0.16 0.00 -1.52 0.00 0.00 31.29 31.53 2dj1 h VAL 122 CO 0.07 0.13 0.70 0.77 0.02 0.00 0.00 177.57 179.25 2dj1 h SER 123 N -0.75 0.30 -2.45 0.57 4.64 -1.42 -3.41 113.55 111.03 2dj1 h SER 123 Ca -0.04 0.20 -0.61 0.00 -0.47 0.00 0.00 61.79 60.88 2dj1 h SER 123 Cb 0.50 0.20 0.12 0.00 -0.31 0.00 0.00 62.40 62.90 2dj1 h SER 123 CO 0.06 -0.30 0.02 0.00 -0.87 0.00 0.00 176.83 175.74 2dj1 n GLN 124 N -4.99 1.15 0.22 4.77 1.13 -1.17 -4.87 117.38 113.63 2dj1 n GLN 124 Ca 0.38 0.41 0.10 0.00 -1.94 0.00 0.00 57.00 55.94 2dj1 n GLN 124 Cb 1.35 -1.77 0.50 0.00 0.11 0.00 0.00 30.24 30.43 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 1.69 0.00 0.06 -1.09 0.13 -1.89 -3.09 132.00 127.81 2dj1 h PRO 125 Ca -0.40 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.48 2dj1 h PRO 125 Cb 1.35 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.51 2dj1 h PRO 125 CO 0.58 0.23 -1.04 -0.44 -0.23 0.00 0.00 178.00 177.11 2dj1 h ASP 126 N 0.00 0.80 -2.88 1.44 5.19 -1.90 -3.46 116.42 115.62 2dj1 h ASP 126 Ca -0.00 -0.79 -0.59 0.00 -0.62 0.00 0.00 57.03 55.02 2dj1 h ASP 126 Cb 0.67 -0.25 0.14 0.00 0.18 0.00 0.00 39.33 40.07 2dj1 h ASP 126 CO 0.03 1.51 -0.06 1.87 -3.12 0.00 0.00 179.24 179.46 2dj1 n TRP 127 N -3.91 0.46 -4.08 4.55 -0.00 -1.17 -5.01 117.44 108.28 2dj1 n TRP 127 Ca -0.12 0.55 -0.13 0.00 -0.00 0.00 0.00 57.50 57.79 2dj1 n TRP 127 Cb 0.89 -2.12 -0.11 0.00 -0.00 0.00 0.00 31.31 29.96 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 -1.40 0.60 0.51 5.87 -4.23 -1.26 -4.97 115.64 110.77 2dj1 s THR 128 Ca 0.65 -1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 59.80 2dj1 s THR 128 Cb -0.55 -0.72 -0.06 0.00 1.34 0.00 0.00 72.50 72.51 2dj1 s THR 128 CO 0.56 -0.40 1.14 -2.16 -0.54 0.00 0.00 174.62 173.22 2dj1 s PRO 129 N -1.75 3.50 0.14 3.99 0.04 -1.26 -4.99 135.00 134.68 2dj1 s PRO 129 Ca -0.08 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 2dj1 s PRO 129 Cb -0.09 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2dj1 s PRO 129 CO 0.00 -0.74 1.34 -1.25 0.04 0.00 0.00 177.00 176.39 2dj1 s PRO 130 N -3.08 4.36 -0.87 0.56 0.04 -1.26 -4.93 135.00 129.82 2dj1 s PRO 130 Ca 0.69 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.53 2dj1 s PRO 130 Cb -0.25 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2dj1 s PRO 130 CO 0.30 -0.35 1.94 -1.25 0.04 0.00 0.00 177.00 177.68 2dj1 s PRO 131 N 0.60 2.56 -0.53 0.56 0.04 -1.26 -4.85 135.00 132.12 2dj1 s PRO 131 Ca 0.61 -0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.51 2dj1 s PRO 131 Cb -0.36 -4.99 0.19 0.00 0.04 0.00 0.00 34.50 29.38 2dj1 s PRO 131 CO 0.33 -3.31 0.47 -1.91 0.04 0.00 0.00 177.00 172.62 2dj1 n GLU 132 N 8.89 1.10 -3.79 4.56 2.13 -1.26 -4.93 120.64 127.34 2dj1 n GLU 132 Ca 0.38 -3.80 -0.24 0.00 0.66 0.00 0.00 57.16 54.15 2dj1 n GLU 132 Cb 0.47 -1.88 -0.03 0.00 0.27 0.00 0.00 31.44 30.27 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 2.09 -1.07 -0.12 6.31 0.31 -1.26 -4.80 118.33 119.79 2dj1 n VAL 133 Ca 0.25 -0.34 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 2dj1 n VAL 133 Cb 0.44 -0.96 -0.11 0.00 -0.91 0.00 0.00 33.84 32.29 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 -3.43 1.40 -1.55 2.52 -2.24 -1.26 -4.98 114.28 104.72 2dj1 n THR 134 Ca -0.15 -0.52 -0.50 0.00 -2.27 0.00 0.00 64.05 60.60 2dj1 n THR 134 Cb 0.41 -1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 67.20 2dj1 n THR 134 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dj1 n SER 135 N -3.28 0.97 0.00 3.42 7.64 -1.26 -4.88 113.62 116.23 2dj1 n SER 135 Ca -0.44 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2dj1 n SER 135 Cb 0.95 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2dj1 n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj1 n GLY 136 N 1.99 4.08 0.00 0.23 0.00 -1.26 -4.95 105.19 105.29 2dj1 n GLY 136 Ca 0.16 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.66 2dj1 n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dj1 n PRO 137 N 0.00 0.49 -0.31 1.61 -0.04 -1.26 -4.13 135.00 131.36 2dj1 n PRO 137 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2dj1 n PRO 137 Cb 0.00 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2dj1 n PRO 137 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dj1 n SER 138 N -0.88 -0.75 -0.30 3.54 2.88 -1.26 0.13 113.62 116.97 2dj1 n SER 138 Ca 0.09 1.32 0.08 0.00 -1.33 0.00 0.00 58.87 59.03 2dj1 n SER 138 Cb 0.04 -0.18 0.20 0.00 -0.75 0.00 0.00 64.21 63.51 2dj1 n SER 138 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dj1 h SER 139 N 0.00 -0.51 0.00 -3.46 0.87 -1.97 -3.57 113.55 104.92 2dj1 h SER 139 Ca 0.13 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2dj1 h SER 139 Cb 0.32 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2dj1 h SER 139 CO -0.70 -0.27 0.00 0.61 -0.53 0.00 0.00 176.83 175.94