#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 6.35 0.18 1.61 1.04 -1.26 -4.82 113.70 116.80 2dj1 s SER 2 Ca 0.00 -1.61 -0.13 0.00 0.48 0.00 0.00 55.95 54.69 2dj1 s SER 2 Cb 0.00 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.72 2dj1 s SER 2 CO 0.00 -1.65 1.74 0.77 0.98 0.00 0.00 173.24 175.08 2dj1 h SER 3 N 9.43 0.12 -0.06 7.02 4.64 -2.04 -3.43 113.55 129.24 2dj1 h SER 3 Ca 0.25 0.07 0.28 0.00 -0.47 0.00 0.00 61.79 61.91 2dj1 h SER 3 Cb 0.97 0.07 -0.19 0.00 -0.31 0.00 0.00 62.40 62.94 2dj1 h SER 3 CO 1.40 0.10 0.14 -0.83 -0.87 0.00 0.00 176.83 176.77 2dj1 s GLY 4 N -2.96 -0.62 0.05 -0.77 0.00 -1.26 -4.83 107.32 96.92 2dj1 s GLY 4 Ca -0.13 2.60 -0.17 0.00 0.00 0.00 0.00 44.72 47.03 2dj1 s GLY 4 CO 0.73 4.15 0.38 -0.56 0.00 0.00 0.00 173.10 177.80 2dj1 s SER 5 N 2.99 -0.24 -1.19 1.64 0.01 -1.26 -4.93 113.70 110.73 2dj1 s SER 5 Ca 0.20 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 2dj1 s SER 5 Cb -0.02 0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.63 2dj1 s SER 5 CO -0.18 -0.68 1.03 -1.20 0.41 0.00 0.00 173.24 172.62 2dj1 n SER 6 N 0.42 -4.96 0.00 2.44 7.64 -1.26 -5.01 113.62 112.89 2dj1 n SER 6 Ca -0.18 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.19 2dj1 n SER 6 Cb 0.60 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 2dj1 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj1 n GLY 7 N -1.67 1.87 3.42 0.23 0.00 -1.26 -5.16 105.19 102.61 2dj1 n GLY 7 Ca -0.06 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.83 -0.53 -0.02 1.61 1.11 -1.26 -5.03 116.67 111.71 2dj1 s ASP 8 Ca 0.00 0.05 -0.02 0.00 0.18 0.00 0.00 52.55 52.76 2dj1 s ASP 8 Cb 0.00 0.57 -0.08 0.00 1.07 0.00 0.00 42.92 44.48 2dj1 s ASP 8 CO 0.00 -0.90 2.60 0.47 1.18 0.00 0.00 175.17 178.52 2dj1 n ASP 9 N -0.16 5.39 -0.08 0.27 8.00 -1.26 -4.20 116.55 124.51 2dj1 n ASP 9 Ca -0.17 -2.48 -0.09 0.00 0.71 0.00 0.00 54.79 52.76 2dj1 n ASP 9 Cb 0.64 -1.23 -0.04 0.00 -0.02 0.00 0.00 41.12 40.46 2dj1 n ASP 9 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2dj1 h ASP 10 N 1.77 0.00 -2.83 -2.24 3.32 -2.03 -3.44 116.42 110.97 2dj1 h ASP 10 Ca 0.09 -0.16 -0.55 0.00 0.02 0.00 0.00 57.03 56.43 2dj1 h ASP 10 Cb 1.17 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 2dj1 h ASP 10 CO 0.13 0.93 1.08 -0.76 -1.72 0.00 0.00 179.24 178.91 2dj1 s LEU 11 N -8.17 3.39 0.26 1.55 1.43 -1.26 -5.00 118.68 110.89 2dj1 s LEU 11 Ca -0.17 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 2dj1 s LEU 11 Cb 0.03 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2dj1 s LEU 11 CO 0.31 -1.69 0.14 -0.70 0.23 0.00 0.00 176.35 174.63 2dj1 s GLU 12 N 5.47 2.72 0.03 1.70 2.12 -1.26 -4.97 118.70 124.51 2dj1 s GLU 12 Ca 0.50 -1.18 0.05 0.00 0.36 0.00 0.00 54.97 54.71 2dj1 s GLU 12 Cb -0.10 -2.43 -0.02 0.00 0.26 0.00 0.00 34.13 31.83 2dj1 s GLU 12 CO 0.24 0.38 -0.16 0.08 -0.54 0.00 0.00 175.26 175.27 2dj1 s VAL 13 N -2.20 1.26 0.54 3.70 1.01 -1.26 -4.74 120.40 118.71 2dj1 s VAL 13 Ca 0.33 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2dj1 s VAL 13 Cb -0.07 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.24 2dj1 s VAL 13 CO 0.23 0.14 0.36 -0.54 0.00 0.00 0.00 175.10 175.29 2dj1 s LYS 14 N -0.94 2.25 -0.04 2.72 1.02 -1.26 -4.97 119.74 118.52 2dj1 s LYS 14 Ca 0.04 -2.07 -0.07 0.00 0.02 0.00 0.00 55.97 53.89 2dj1 s LYS 14 Cb -0.07 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 2dj1 s LYS 14 CO 0.01 -0.59 0.17 -1.83 -0.92 0.00 0.00 175.35 172.19 2dj1 s GLU 15 N -4.23 0.34 -0.14 1.68 -1.05 -1.26 -0.61 118.70 113.43 2dj1 s GLU 15 Ca 0.30 -0.02 -0.01 0.00 -0.15 0.00 0.00 54.97 55.09 2dj1 s GLU 15 Cb -0.02 0.15 0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2dj1 s GLU 15 CO 0.19 -0.07 -0.03 -1.21 0.95 0.00 0.00 175.26 175.10 2dj1 s GLU 16 N -0.54 1.09 -1.65 -4.83 2.02 0.12 -4.82 118.70 110.09 2dj1 s GLU 16 Ca -0.06 -0.30 -0.16 0.00 0.02 0.00 0.00 54.97 54.47 2dj1 s GLU 16 Cb -0.04 -1.71 0.13 0.00 0.10 0.00 0.00 34.13 32.62 2dj1 s GLU 16 CO 0.01 -0.42 0.77 -1.71 0.02 0.00 0.00 175.26 173.93 2dj1 n ASN 17 N 4.99 -3.13 -0.26 -0.19 2.85 -1.26 -0.59 115.26 117.67 2dj1 n ASN 17 Ca -0.10 -0.98 -0.01 0.00 -0.11 0.00 0.00 54.58 53.38 2dj1 n ASN 17 Cb 0.49 -2.93 0.00 0.00 1.24 0.00 0.00 39.78 38.57 2dj1 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dj1 n GLY 18 N -1.51 0.57 2.64 8.20 0.00 -1.26 -4.81 105.19 109.03 2dj1 n GLY 18 Ca 0.02 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.41 0.13 0.24 1.61 1.01 0.24 -4.68 120.40 116.54 2dj1 s VAL 19 Ca 0.01 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2dj1 s VAL 19 Cb -0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 2dj1 s VAL 19 CO 0.01 -0.33 1.46 0.26 0.00 0.00 0.00 175.10 176.50 2dj1 s TRP 20 N 2.03 3.01 -0.50 5.22 0.52 -0.98 0.11 118.94 128.35 2dj1 s TRP 20 Ca 0.02 0.98 -0.14 0.00 0.02 0.00 0.00 56.10 56.99 2dj1 s TRP 20 Cb -0.16 -3.84 0.11 0.00 -1.15 0.00 0.00 33.47 28.42 2dj1 s TRP 20 CO -0.13 -2.78 0.42 0.08 0.02 0.00 0.00 176.95 174.57 2dj1 s VAL 21 N 0.08 4.91 0.49 4.03 1.01 0.22 0.25 120.40 131.40 2dj1 s VAL 21 Ca 0.60 -1.46 0.05 0.00 0.00 0.00 0.00 61.98 61.17 2dj1 s VAL 21 Cb -0.42 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 31.88 2dj1 s VAL 21 CO 0.43 -0.75 0.68 -0.76 0.00 0.00 0.00 175.10 174.70 2dj1 s LEU 22 N 1.54 3.45 -0.09 3.92 1.43 -0.92 -3.99 118.68 124.02 2dj1 s LEU 22 Ca 0.04 -0.24 -0.32 0.00 -1.03 0.00 0.00 54.13 52.58 2dj1 s LEU 22 Cb -0.27 -2.72 0.13 0.00 0.03 0.00 0.00 46.19 43.36 2dj1 s LEU 22 CO 0.03 -0.98 1.26 0.54 0.23 0.00 0.00 176.35 177.42 2dj1 s ASN 23 N -4.40 -0.09 0.63 2.29 4.22 -1.26 -4.51 114.94 111.82 2dj1 s ASN 23 Ca 0.57 -0.08 0.18 0.00 -2.14 0.00 0.00 52.86 51.38 2dj1 s ASN 23 Cb -0.10 0.16 0.71 0.00 1.28 0.00 0.00 41.25 43.29 2dj1 s ASN 23 CO 0.36 -0.27 1.31 -2.24 -2.04 0.00 0.00 177.10 174.21 2dj1 h ASP 24 N 2.00 0.00 0.02 3.54 3.04 -1.97 1.47 116.42 124.53 2dj1 h ASP 24 Ca -0.22 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.50 2dj1 h ASP 24 Cb 1.19 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.48 2dj1 h ASP 24 CO 0.26 0.00 -0.29 1.23 -2.04 0.00 0.00 179.24 178.40 2dj1 h GLY 25 N 0.00 0.17 -2.92 7.15 0.00 -1.98 -3.38 103.07 102.11 2dj1 h GLY 25 Ca 0.25 -0.35 -0.29 0.00 0.00 0.00 0.00 47.33 46.93 2dj1 h GLY 25 CO -0.00 0.31 -0.76 1.16 0.00 0.00 0.00 176.54 177.25 2dj1 n ASN 26 N -4.46 3.11 -0.06 0.19 6.94 0.19 -4.79 115.26 116.38 2dj1 n ASN 26 Ca -0.11 -3.46 -0.09 0.00 -0.02 0.00 0.00 54.58 50.90 2dj1 n ASN 26 Cb 0.56 -0.42 -0.08 0.00 -2.36 0.00 0.00 39.78 37.47 2dj1 n ASN 26 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2dj1 h PHE 27 N 1.72 -0.00 -0.09 -2.53 3.57 0.15 -3.13 116.94 116.62 2dj1 h PHE 27 Ca 0.13 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 2dj1 h PHE 27 Cb 1.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.10 2dj1 h PHE 27 CO 0.72 0.63 -0.34 -0.44 -2.23 0.00 0.00 178.31 176.65 2dj1 h ASP 28 N -0.99 0.46 -0.99 0.41 5.19 -1.86 -2.81 116.42 115.83 2dj1 h ASP 28 Ca -0.00 -0.63 0.17 0.00 -0.62 0.00 0.00 57.03 55.95 2dj1 h ASP 28 Cb 0.64 -0.13 -0.09 0.00 0.18 0.00 0.00 39.33 39.92 2dj1 h ASP 28 CO 0.00 1.01 0.62 -1.13 -3.12 0.00 0.00 179.24 176.61 2dj1 h ASN 29 N -0.07 0.78 0.53 6.45 -0.73 -1.87 0.64 115.58 121.32 2dj1 h ASN 29 Ca -0.02 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 2dj1 h ASN 29 Cb 0.98 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 39.50 2dj1 h ASN 29 CO 0.07 0.33 -0.25 0.15 -0.37 0.00 0.00 177.43 177.36 2dj1 h PHE 30 N 0.79 -0.66 -0.00 0.67 3.57 -1.55 -3.13 116.94 116.63 2dj1 h PHE 30 Ca 0.54 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.02 2dj1 h PHE 30 Cb 0.80 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 2dj1 h PHE 30 CO -0.00 -0.41 0.01 -0.39 -2.23 0.00 0.00 178.31 175.28 2dj1 h VAL 31 N -1.12 0.12 -0.74 1.41 -1.51 -1.21 -2.56 116.25 110.65 2dj1 h VAL 31 Ca -0.07 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.55 2dj1 h VAL 31 Cb 0.55 0.99 -0.10 0.00 -2.13 0.00 0.00 31.29 30.60 2dj1 h VAL 31 CO 0.12 0.00 0.24 0.00 -1.23 0.00 0.00 177.57 176.70 2dj1 h ALA 32 N 1.99 1.00 -0.93 5.19 0.00 0.35 -0.34 119.26 126.52 2dj1 h ALA 32 Ca 0.00 0.14 -0.63 0.00 0.00 0.00 0.00 54.91 54.42 2dj1 h ALA 32 Cb 0.01 0.15 -0.31 0.00 0.00 0.00 0.00 17.79 17.64 2dj1 h ALA 32 CO -0.00 -0.27 0.51 -0.25 0.00 0.00 0.00 179.25 179.24 2dj1 n ASP 33 N -5.07 6.78 -3.67 0.00 8.00 -0.96 -4.74 116.55 116.90 2dj1 n ASP 33 Ca 0.14 -3.77 -0.09 0.00 0.71 0.00 0.00 54.79 51.78 2dj1 n ASP 33 Cb 0.43 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 40.61 2dj1 n ASP 33 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dj1 s LYS 34 N -3.74 0.58 -0.07 -1.24 1.02 -0.14 -5.07 119.74 111.08 2dj1 s LYS 34 Ca 0.61 1.02 -0.19 0.00 0.02 0.00 0.00 55.97 57.43 2dj1 s LYS 34 Cb 0.49 0.09 -0.15 0.00 -0.52 0.00 0.00 37.83 37.73 2dj1 s LYS 34 CO 0.01 -0.15 0.73 -0.44 -0.92 0.00 0.00 175.35 174.58 2dj1 h ASP 35 N 6.92 -0.13 -3.25 2.83 3.32 -1.91 -3.44 116.42 120.76 2dj1 h ASP 35 Ca -0.33 -0.41 -0.66 0.00 0.02 0.00 0.00 57.03 55.64 2dj1 h ASP 35 Cb 1.21 0.03 -0.31 0.00 0.22 0.00 0.00 39.33 40.48 2dj1 h ASP 35 CO 0.21 0.49 -0.80 -0.89 -1.72 0.00 0.00 179.24 176.54 2dj1 s THR 36 N -2.96 2.67 -0.10 0.35 2.01 -1.26 -0.12 115.64 116.25 2dj1 s THR 36 Ca -0.12 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 2dj1 s THR 36 Cb -0.00 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.38 2dj1 s THR 36 CO 0.45 0.50 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.12 2dj1 s VAL 37 N 1.07 0.89 -0.30 3.82 1.01 -0.84 -4.40 120.40 121.65 2dj1 s VAL 37 Ca -0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2dj1 s VAL 37 Cb -0.14 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2dj1 s VAL 37 CO -0.04 0.34 1.18 -0.22 0.00 0.00 0.00 175.10 176.36 2dj1 s LEU 38 N 1.58 3.93 -0.18 3.92 2.96 -1.21 -2.03 118.68 127.66 2dj1 s LEU 38 Ca 0.02 1.17 -0.04 0.00 -0.22 0.00 0.00 54.13 55.05 2dj1 s LEU 38 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 2dj1 s LEU 38 CO -0.06 -0.95 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.24 2dj1 s LEU 39 N 3.93 3.22 -0.16 -0.68 1.43 -0.76 -1.83 118.68 123.84 2dj1 s LEU 39 Ca 0.51 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2dj1 s LEU 39 Cb -0.15 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2dj1 s LEU 39 CO 0.18 0.11 -0.13 -0.70 0.23 0.00 0.00 176.35 176.05 2dj1 s GLU 40 N 0.72 2.16 -0.08 1.70 2.12 -1.00 0.20 118.70 124.51 2dj1 s GLU 40 Ca -0.01 -0.61 -0.19 0.00 0.36 0.00 0.00 54.97 54.53 2dj1 s GLU 40 Cb -0.14 -2.15 -0.05 0.00 0.26 0.00 0.00 34.13 32.05 2dj1 s GLU 40 CO 0.02 -0.29 0.51 -0.06 -0.54 0.00 0.00 175.26 174.90 2dj1 s PHE 41 N 1.48 3.57 0.19 5.30 0.40 0.88 -0.65 117.98 129.15 2dj1 s PHE 41 Ca 0.03 0.99 -0.01 0.00 -0.60 0.00 0.00 56.93 57.34 2dj1 s PHE 41 Cb -0.14 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 2dj1 s PHE 41 CO -0.10 0.25 0.10 1.52 0.70 0.00 0.00 175.22 177.69 2dj1 s TYR 42 N 0.30 1.12 -0.00 0.36 -0.85 -0.65 -1.02 117.35 116.61 2dj1 s TYR 42 Ca 0.28 -1.30 0.02 0.00 -0.52 0.00 0.00 57.07 55.55 2dj1 s TYR 42 Cb -0.16 -0.58 -0.01 0.00 0.38 0.00 0.00 41.96 41.59 2dj1 s TYR 42 CO 0.12 -0.55 -0.08 0.00 -1.52 0.00 0.00 175.55 173.52 2dj1 s ALA 43 N -4.06 0.67 0.32 9.51 0.00 -1.26 -3.57 121.76 123.37 2dj1 s ALA 43 Ca 0.34 -0.38 0.12 0.00 0.00 0.00 0.00 51.96 52.05 2dj1 s ALA 43 Cb 0.07 -0.16 0.58 0.00 0.00 0.00 0.00 23.12 23.61 2dj1 s ALA 43 CO 0.09 0.15 1.73 -1.00 0.00 0.00 0.00 175.76 176.74 2dj1 h PRO 44 N 5.85 0.00 -0.74 0.00 0.13 -2.00 -2.72 132.00 132.51 2dj1 h PRO 44 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.49 0.47 0.00 -2.67 -0.23 0.00 0.00 178.00 176.06 2dj1 n TRP 45 N -3.93 0.93 -4.04 1.56 4.27 -1.26 -4.79 117.44 110.17 2dj1 n TRP 45 Ca -0.01 -0.33 -0.34 0.00 -3.89 0.00 0.00 57.50 52.93 2dj1 n TRP 45 Cb 0.50 -0.26 -0.15 0.00 -1.36 0.00 0.00 31.31 30.04 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 8.00 0.67 -0.66 0.00 0.00 -1.86 -3.01 103.07 106.21 2dj1 h GLY 47 Ca -0.44 -0.66 0.38 0.00 0.00 0.00 0.00 47.33 46.61 2dj1 h GLY 47 CO 0.62 0.60 0.94 0.45 0.00 0.00 0.00 176.54 179.15 2dj1 h HIS 48 N 0.51 0.07 -0.10 5.60 3.86 -1.94 0.93 115.15 124.07 2dj1 h HIS 48 Ca 0.04 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.08 2dj1 h HIS 48 Cb 0.91 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 2dj1 h HIS 48 CO 0.04 -0.00 -0.68 0.00 0.86 0.00 0.00 177.93 178.15 2dj1 h LYS 50 N 0.30 0.65 0.00 0.00 1.57 0.78 1.93 116.57 121.81 2dj1 h LYS 50 Ca -0.02 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 2dj1 h LYS 50 Cb 1.24 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2dj1 h LYS 50 CO 0.12 0.43 -0.50 -0.56 -0.57 0.00 0.00 179.45 178.37 2dj1 h GLN 51 N 0.67 0.00 -0.60 3.15 3.07 -1.52 -3.10 115.11 116.78 2dj1 h GLN 51 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 2dj1 h GLN 51 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 2dj1 h GLN 51 CO -0.17 0.50 0.00 0.34 0.09 0.00 0.00 178.83 179.59 2dj1 n PHE 52 N -3.34 0.79 0.36 0.06 7.35 -0.61 -4.44 117.46 117.62 2dj1 n PHE 52 Ca 0.01 -0.43 -0.14 0.00 -0.76 0.00 0.00 57.45 56.13 2dj1 n PHE 52 Cb 0.67 -0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.43 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 4.09 -0.95 0.00 3.13 0.00 0.31 -2.57 119.26 123.27 2dj1 h ALA 53 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2dj1 h ALA 53 Cb 0.96 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2dj1 h ALA 53 CO 0.00 -0.88 -0.31 -1.00 0.00 0.00 0.00 179.25 177.06 2dj1 h PRO 54 N -1.25 0.00 -0.59 0.00 0.13 -1.80 -3.05 132.00 125.45 2dj1 h PRO 54 Ca -0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.93 2dj1 h PRO 54 Cb 0.72 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2dj1 h PRO 54 CO 0.16 0.31 -0.04 1.49 -0.23 0.00 0.00 178.00 179.69 2dj1 h GLU 55 N 0.00 1.07 0.26 0.86 4.57 -1.77 -3.15 114.58 116.41 2dj1 h GLU 55 Ca -0.00 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 2dj1 h GLU 55 Cb 0.73 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2dj1 h GLU 55 CO 0.04 1.07 -0.12 -0.92 -1.18 0.00 0.00 179.01 177.89 2dj1 h TYR 56 N 0.96 -0.32 -0.89 0.92 3.20 -1.34 -3.09 116.97 116.41 2dj1 h TYR 56 Ca 0.16 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.19 2dj1 h TYR 56 Cb 0.61 0.11 -0.17 0.00 1.54 0.00 0.00 36.73 38.82 2dj1 h TYR 56 CO 0.04 -0.08 -0.26 0.93 -1.64 0.00 0.00 178.16 177.16 2dj1 h GLU 57 N -0.52 -0.01 -0.66 1.82 5.08 -1.55 0.42 114.58 119.17 2dj1 h GLU 57 Ca -0.04 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.46 2dj1 h GLU 57 Cb 0.38 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 2dj1 h GLU 57 CO 0.06 -0.01 0.12 0.87 -1.00 0.00 0.00 179.01 179.05 2dj1 h LYS 58 N -0.01 0.22 -0.71 2.33 1.57 -1.50 -0.30 116.57 118.16 2dj1 h LYS 58 Ca 0.41 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.26 2dj1 h LYS 58 Cb 0.64 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 2dj1 h LYS 58 CO -0.92 0.15 0.36 0.82 -0.57 0.00 0.00 179.45 179.29 2dj1 h ILE 59 N 0.23 0.86 -0.65 1.86 2.04 -0.15 -2.83 117.51 118.86 2dj1 h ILE 59 Ca 0.36 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 66.06 2dj1 h ILE 59 Cb 0.57 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 2dj1 h ILE 59 CO -0.47 0.11 -0.43 0.00 0.00 0.00 0.00 178.15 177.36 2dj1 h ALA 60 N 1.42 -0.45 -0.14 1.87 0.00 -0.63 -0.75 119.26 120.59 2dj1 h ALA 60 Ca 0.35 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.38 2dj1 h ALA 60 Cb 0.35 1.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 2dj1 h ALA 60 CO -0.26 -0.74 -0.30 0.66 0.00 0.00 0.00 179.25 178.61 2dj1 h SER 61 N -0.06 -0.94 -0.44 0.00 4.64 -1.53 0.36 113.55 115.59 2dj1 h SER 61 Ca 0.10 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.61 2dj1 h SER 61 Cb 0.33 0.40 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 2dj1 h SER 61 CO -0.64 -0.34 -0.28 0.74 -0.87 0.00 0.00 176.83 175.44 2dj1 h THR 62 N -0.37 0.00 -0.68 2.95 2.02 -1.04 0.12 112.91 115.91 2dj1 h THR 62 Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 2dj1 h THR 62 Cb 0.53 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2dj1 h THR 62 CO -0.35 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 175.79 2dj1 h LEU 63 N -0.03 0.88 -0.76 2.58 3.38 -1.08 -1.61 115.31 118.67 2dj1 h LEU 63 Ca 0.07 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.09 2dj1 h LEU 63 Cb 0.21 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 40.59 2dj1 h LEU 63 CO -0.43 0.75 -0.20 0.50 0.09 0.00 0.00 178.44 179.15 2dj1 h LYS 64 N 0.97 -0.01 0.12 1.13 3.64 0.23 0.10 116.57 122.75 2dj1 h LYS 64 Ca 0.24 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.35 2dj1 h LYS 64 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2dj1 h LYS 64 CO -0.03 -0.01 -1.22 -0.44 -2.27 0.00 0.00 179.45 175.48 2dj1 h ASP 65 N -0.01 0.41 -1.62 4.20 5.19 -1.07 -3.36 116.42 120.17 2dj1 h ASP 65 Ca 0.36 -0.43 -0.48 0.00 -0.62 0.00 0.00 57.03 55.86 2dj1 h ASP 65 Cb 0.56 -0.13 0.16 0.00 0.18 0.00 0.00 39.33 40.10 2dj1 h ASP 65 CO -0.79 1.34 -1.06 -3.20 -3.12 0.00 0.00 179.24 172.41 2dj1 n ASN 66 N -3.53 -3.39 -4.30 6.45 5.15 0.00 -4.58 115.26 111.07 2dj1 n ASN 66 Ca -0.08 0.45 -0.34 0.00 -0.60 0.00 0.00 54.58 54.00 2dj1 n ASN 66 Cb 1.02 -0.67 -0.14 0.00 -0.53 0.00 0.00 39.78 39.45 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 -0.81 4.05 0.97 1.20 -1.08 -1.26 -1.29 116.67 118.46 2dj1 s ASP 67 Ca 0.43 -0.41 -0.12 0.00 -0.52 0.00 0.00 52.55 51.92 2dj1 s ASP 67 Cb -0.35 -1.67 0.17 0.00 -1.46 0.00 0.00 42.92 39.62 2dj1 s ASP 67 CO 0.56 0.03 1.09 -2.16 0.52 0.00 0.00 175.17 175.22 2dj1 s PRO 68 N 1.16 0.62 -0.59 4.34 0.04 -1.26 -5.04 135.00 134.27 2dj1 s PRO 68 Ca 0.02 0.59 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 2dj1 s PRO 68 Cb -0.14 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2dj1 s PRO 68 CO -0.03 -2.62 1.85 -1.25 0.04 0.00 0.00 177.00 174.99 2dj1 s PRO 69 N -4.96 2.69 0.24 0.56 0.04 -0.41 -4.94 135.00 128.22 2dj1 s PRO 69 Ca 0.65 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 2dj1 s PRO 69 Cb -0.18 -4.37 -0.08 0.00 0.04 0.00 0.00 34.50 29.91 2dj1 s PRO 69 CO 0.57 -2.65 0.61 0.42 0.04 0.00 0.00 177.00 175.99 2dj1 s ILE 70 N 8.87 4.83 -0.27 0.56 1.01 -1.09 -4.99 121.20 130.12 2dj1 s ILE 70 Ca 0.68 0.70 -0.04 0.00 0.00 0.00 0.00 60.65 61.99 2dj1 s ILE 70 Cb -0.13 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.71 2dj1 s ILE 70 CO 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 174.94 175.11 2dj1 s ALA 71 N -1.79 2.85 0.20 9.38 0.00 -1.26 -3.15 121.76 127.98 2dj1 s ALA 71 Ca 0.48 -1.46 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 2dj1 s ALA 71 Cb -0.12 -1.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 2dj1 s ALA 71 CO 0.20 -0.86 0.85 0.08 0.00 0.00 0.00 175.76 176.03 2dj1 s VAL 72 N 1.39 4.23 0.02 0.00 1.01 -1.26 -3.28 120.40 122.52 2dj1 s VAL 72 Ca 0.01 1.89 -0.07 0.00 0.00 0.00 0.00 61.98 63.81 2dj1 s VAL 72 Cb -0.17 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 2dj1 s VAL 72 CO -0.02 0.51 0.13 0.00 0.00 0.00 0.00 175.10 175.72 2dj1 s ALA 73 N -1.14 -0.22 0.12 5.51 0.00 -0.76 -2.33 121.76 122.94 2dj1 s ALA 73 Ca 0.38 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.10 2dj1 s ALA 73 Cb -0.24 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2dj1 s ALA 73 CO 0.29 -0.28 -0.22 -1.59 0.00 0.00 0.00 175.76 173.96 2dj1 s LYS 74 N -2.11 1.65 -0.01 0.00 -2.85 0.14 -2.38 119.74 114.18 2dj1 s LYS 74 Ca -0.09 -1.24 -0.01 0.00 -1.00 0.00 0.00 55.97 53.64 2dj1 s LYS 74 Cb -0.04 -2.03 0.01 0.00 -2.06 0.00 0.00 37.83 33.71 2dj1 s LYS 74 CO -0.02 0.47 0.02 0.42 0.10 0.00 0.00 175.35 176.34 2dj1 s ILE 75 N -1.10 -0.01 -1.20 3.79 1.01 0.18 -2.16 121.20 121.71 2dj1 s ILE 75 Ca 0.16 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 2dj1 s ILE 75 Cb -0.10 -0.04 0.19 0.00 0.01 0.00 0.00 42.46 42.51 2dj1 s ILE 75 CO 0.08 0.01 1.42 -0.90 0.00 0.00 0.00 174.94 175.56 2dj1 n ASP 76 N 3.22 5.27 -0.36 3.58 5.68 -1.26 -1.64 116.55 131.04 2dj1 n ASP 76 Ca -0.14 -3.00 -0.02 0.00 -0.50 0.00 0.00 54.79 51.13 2dj1 n ASP 76 Cb 0.59 -1.54 0.02 0.00 -1.14 0.00 0.00 41.12 39.05 2dj1 n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dj1 n ALA 77 N 5.15 -0.17 -0.30 2.12 0.00 -1.23 0.92 120.51 126.98 2dj1 n ALA 77 Ca 0.35 0.91 0.30 0.00 0.00 0.00 0.00 53.44 55.00 2dj1 n ALA 77 Cb 0.42 -0.38 0.55 0.00 0.00 0.00 0.00 19.45 20.04 2dj1 n ALA 77 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dj1 n THR 78 N -5.34 -0.39 0.10 0.00 5.66 -1.26 0.11 114.28 113.16 2dj1 n THR 78 Ca 0.09 1.91 -0.22 0.00 -3.05 0.00 0.00 64.05 62.77 2dj1 n THR 78 Cb 0.36 -3.09 -0.15 0.00 -1.55 0.00 0.00 70.33 65.89 2dj1 n THR 78 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2dj1 h SER 79 N 0.00 0.65 -2.87 1.09 0.87 0.18 -3.42 113.55 110.05 2dj1 h SER 79 Ca 0.79 -0.82 -0.69 0.00 -1.23 0.00 0.00 61.79 59.84 2dj1 h SER 79 Cb 2.10 -0.21 -0.19 0.00 -0.44 0.00 0.00 62.40 63.65 2dj1 h SER 79 CO -0.72 1.67 0.17 0.00 -0.53 0.00 0.00 176.83 177.42 2dj1 s ALA 80 N -2.60 3.38 -0.03 6.23 0.00 0.31 -4.92 121.76 124.14 2dj1 s ALA 80 Ca -0.11 -2.20 -0.23 0.00 0.00 0.00 0.00 51.96 49.41 2dj1 s ALA 80 Cb 0.05 -3.57 -0.17 0.00 0.00 0.00 0.00 23.12 19.43 2dj1 s ALA 80 CO 0.89 -2.41 1.06 0.77 0.00 0.00 0.00 175.76 176.07 2dj1 h SER 81 N 9.22 -0.20 -0.09 0.00 0.02 -1.82 -1.67 113.55 119.00 2dj1 h SER 81 Ca -0.29 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.36 2dj1 h SER 81 Cb 1.08 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.62 2dj1 h SER 81 CO 1.11 0.29 -0.45 -0.03 -1.14 0.00 0.00 176.83 176.60 2dj1 h MET 82 N -0.76 -0.48 -0.67 3.45 1.85 -1.92 -0.39 114.93 116.02 2dj1 h MET 82 Ca -0.02 0.03 0.08 0.00 -0.61 0.00 0.00 59.70 59.18 2dj1 h MET 82 Cb 0.52 0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.59 2dj1 h MET 82 CO 0.04 -0.32 0.34 -0.07 -0.40 0.00 0.00 176.91 176.50 2dj1 h LEU 83 N -0.50 0.46 -0.45 3.39 3.38 -1.95 -0.72 115.31 118.93 2dj1 h LEU 83 Ca 0.02 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2dj1 h LEU 83 Cb 0.57 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 2dj1 h LEU 83 CO -0.35 0.28 -0.12 0.00 0.09 0.00 0.00 178.44 178.34 2dj1 h ALA 84 N 1.39 0.29 -0.46 1.53 0.00 -0.41 -1.17 119.26 120.43 2dj1 h ALA 84 Ca 0.32 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 2dj1 h ALA 84 Cb 0.29 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2dj1 h ALA 84 CO -0.23 -0.45 -0.16 0.77 0.00 0.00 0.00 179.25 179.17 2dj1 h SER 85 N -0.01 0.89 -0.47 0.00 0.02 -0.48 0.28 113.55 113.78 2dj1 h SER 85 Ca 0.22 -0.30 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2dj1 h SER 85 Cb 0.34 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 62.54 2dj1 h SER 85 CO -0.47 1.04 -0.38 0.50 -1.14 0.00 0.00 176.83 176.38 2dj1 h LYS 86 N 0.78 -0.25 -0.95 3.45 3.64 0.10 0.11 116.57 123.45 2dj1 h LYS 86 Ca 0.12 0.02 -0.40 0.00 -1.27 0.00 0.00 60.65 59.11 2dj1 h LYS 86 Cb 0.69 0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 32.33 2dj1 h LYS 86 CO 0.05 -0.17 0.51 1.19 -2.27 0.00 0.00 179.45 178.77 2dj1 n PHE 87 N -5.42 2.62 -3.74 1.91 3.01 -0.99 -4.90 117.46 109.94 2dj1 n PHE 87 Ca 0.01 -1.57 -0.27 0.00 1.01 0.00 0.00 57.45 56.63 2dj1 n PHE 87 Cb 0.35 -0.82 -0.06 0.00 -0.01 0.00 0.00 39.48 38.93 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 -0.77 -0.42 -4.56 4.37 8.00 0.39 -4.68 116.55 118.88 2dj1 n ASP 88 Ca 0.50 -0.91 -0.24 0.00 0.71 0.00 0.00 54.79 54.84 2dj1 n ASP 88 Cb 1.49 -1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.39 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 -3.24 3.15 -0.45 2.53 1.01 0.93 -4.76 120.40 119.57 2dj1 s VAL 89 Ca 0.33 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2dj1 s VAL 89 Cb -0.19 -3.35 0.46 0.00 0.00 0.00 0.00 36.38 33.30 2dj1 s VAL 89 CO 0.73 -0.33 1.59 -0.24 0.00 0.00 0.00 175.10 176.85 2dj1 n SER 90 N 16.33 5.87 0.00 3.32 2.88 -1.26 -4.88 113.62 135.88 2dj1 n SER 90 Ca 0.40 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 2dj1 n SER 90 Cb 0.48 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2dj1 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj1 n GLY 91 N -0.84 -0.14 3.63 0.46 0.00 -1.26 -5.18 105.19 101.86 2dj1 n GLY 91 Ca 0.51 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.68 0.91 1.61 1.51 -1.26 -4.33 117.35 113.10 2dj1 s TYR 92 Ca 0.00 1.66 -0.12 0.00 -1.01 0.00 0.00 57.07 57.60 2dj1 s TYR 92 Cb 0.00 0.31 0.14 0.00 -0.11 0.00 0.00 41.96 42.29 2dj1 s TYR 92 CO 0.00 -0.33 1.09 -1.25 -1.11 0.00 0.00 175.55 173.95 2dj1 s PRO 93 N 0.35 1.17 -0.23 -1.71 0.04 -1.26 -4.91 135.00 128.43 2dj1 s PRO 93 Ca 0.01 0.78 -0.03 0.00 0.04 0.00 0.00 61.00 61.80 2dj1 s PRO 93 Cb -0.05 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.81 2dj1 s PRO 93 CO -0.02 -2.29 0.30 0.99 0.04 0.00 0.00 177.00 176.02 2dj1 s THR 94 N -2.94 -0.46 0.04 1.26 2.01 -0.19 -5.00 115.64 110.37 2dj1 s THR 94 Ca 0.64 -0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.33 2dj1 s THR 94 Cb -0.18 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 2dj1 s THR 94 CO 0.57 -0.20 0.49 -0.63 -0.69 0.00 0.00 174.62 174.16 2dj1 s ILE 95 N 2.43 4.89 0.14 1.82 1.01 -1.26 -0.09 121.20 130.15 2dj1 s ILE 95 Ca 0.10 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 61.69 2dj1 s ILE 95 Cb -0.15 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2dj1 s ILE 95 CO -0.16 0.54 0.15 -0.54 0.00 0.00 0.00 174.94 174.92 2dj1 s LYS 96 N -1.18 1.02 -0.05 2.79 -0.14 0.13 -3.60 119.74 118.71 2dj1 s LYS 96 Ca 0.27 -1.32 0.03 0.00 -1.36 0.00 0.00 55.97 53.59 2dj1 s LYS 96 Cb -0.18 0.30 0.00 0.00 -1.68 0.00 0.00 37.83 36.27 2dj1 s LYS 96 CO 0.16 -0.33 -0.14 0.42 -0.76 0.00 0.00 175.35 174.71 2dj1 s ILE 97 N -4.01 1.19 -0.34 2.17 1.01 -1.17 -1.82 121.20 118.22 2dj1 s ILE 97 Ca 0.21 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 2dj1 s ILE 97 Cb 0.06 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.52 2dj1 s ILE 97 CO 0.01 0.36 0.11 -0.22 0.00 0.00 0.00 174.94 175.20 2dj1 s LEU 98 N 0.29 4.38 -0.43 2.97 2.96 -0.86 -1.05 118.68 126.94 2dj1 s LEU 98 Ca -0.07 -1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 52.54 2dj1 s LEU 98 Cb -0.12 -1.87 0.07 0.00 0.50 0.00 0.00 46.19 44.77 2dj1 s LEU 98 CO 0.02 -0.34 0.29 -0.54 -1.32 0.00 0.00 176.35 174.46 2dj1 s LYS 99 N 1.39 2.72 -0.80 1.98 -0.14 0.24 -1.99 119.74 123.14 2dj1 s LYS 99 Ca -0.01 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.20 2dj1 s LYS 99 Cb -0.20 -3.86 0.00 0.00 -1.68 0.00 0.00 37.83 32.09 2dj1 s LYS 99 CO 0.03 -0.95 0.00 1.63 -0.76 0.00 0.00 175.35 175.30 2dj1 n LYS 100 N 4.99 -1.83 0.00 1.68 5.02 0.84 0.86 118.16 129.72 2dj1 n LYS 100 Ca -0.11 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2dj1 n LYS 100 Cb 0.43 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.63 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 -0.43 1.14 3.47 0.72 0.00 -1.26 -5.09 105.19 103.74 2dj1 n GLY 101 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.41 3.66 -0.26 1.61 2.00 0.25 -5.05 119.66 121.46 2dj1 s GLN 102 Ca 0.00 -0.51 -0.25 0.00 -2.00 0.00 0.00 55.36 52.60 2dj1 s GLN 102 Cb 0.00 -3.04 0.00 0.00 0.80 0.00 0.00 33.01 30.77 2dj1 s GLN 102 CO 0.00 0.10 0.88 0.00 -0.50 0.00 0.00 175.29 175.76 2dj1 s ALA 103 N 0.77 3.61 -0.49 1.58 0.00 -1.26 -0.59 121.76 125.38 2dj1 s ALA 103 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2dj1 s ALA 103 Cb -0.14 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.74 2dj1 s ALA 103 CO 0.02 -1.07 0.26 0.08 0.00 0.00 0.00 175.76 175.06 2dj1 s VAL 104 N 3.01 3.04 0.26 0.00 1.01 -0.21 -5.00 120.40 122.51 2dj1 s VAL 104 Ca 0.37 -2.73 -0.29 0.00 0.00 0.00 0.00 61.98 59.33 2dj1 s VAL 104 Cb -0.15 -3.08 -0.15 0.00 0.00 0.00 0.00 36.38 33.01 2dj1 s VAL 104 CO 0.09 -0.76 1.00 -0.90 0.00 0.00 0.00 175.10 174.53 2dj1 n ASP 105 N 3.79 1.13 -4.28 3.32 5.75 -1.26 -3.06 116.55 121.94 2dj1 n ASP 105 Ca 0.04 1.17 -0.44 0.00 -0.01 0.00 0.00 54.79 55.55 2dj1 n ASP 105 Cb 0.38 -1.25 -0.06 0.00 -1.03 0.00 0.00 41.12 39.16 2dj1 n ASP 105 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2dj1 s TYR 106 N -0.90 3.40 -0.97 2.11 5.04 -1.24 -4.94 117.35 119.86 2dj1 s TYR 106 Ca 0.62 -1.65 -0.11 0.00 -2.44 0.00 0.00 57.07 53.48 2dj1 s TYR 106 Cb -0.74 -3.70 0.25 0.00 0.35 0.00 0.00 41.96 38.12 2dj1 s TYR 106 CO 0.58 -1.00 0.94 0.16 -1.34 0.00 0.00 175.55 174.89 2dj1 s ASP 107 N 2.94 7.02 0.12 4.32 1.47 -1.26 -4.86 116.67 126.41 2dj1 s ASP 107 Ca 0.07 -3.18 -0.07 0.00 1.18 0.00 0.00 52.55 50.55 2dj1 s ASP 107 Cb -0.25 -2.20 0.03 0.00 -0.34 0.00 0.00 42.92 40.16 2dj1 s ASP 107 CO -0.01 -0.42 0.36 0.61 0.68 0.00 0.00 175.17 176.39 2dj1 n GLY 108 N 3.28 1.33 3.70 2.12 0.00 -1.26 -5.17 105.19 109.19 2dj1 n GLY 108 Ca 0.19 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.88 2.49 -0.96 1.61 0.01 -1.26 -4.99 113.70 108.72 2dj1 s SER 109 Ca 0.08 0.93 -0.07 0.00 1.31 0.00 0.00 55.95 58.20 2dj1 s SER 109 Cb -0.02 -1.45 0.24 0.00 0.21 0.00 0.00 66.02 65.01 2dj1 s SER 109 CO 0.03 -3.19 0.90 -0.60 0.41 0.00 0.00 173.24 170.80 2dj1 s ARG 110 N -5.21 3.68 0.03 12.44 3.52 -1.26 -4.63 118.95 127.53 2dj1 s ARG 110 Ca 0.67 -3.08 -0.00 0.00 -0.13 0.00 0.00 55.73 53.19 2dj1 s ARG 110 Cb -0.15 -4.27 -0.03 0.00 -1.56 0.00 0.00 34.95 28.94 2dj1 s ARG 110 CO 0.56 -1.25 -0.03 0.95 -0.81 0.00 0.00 175.30 174.72 2dj1 s THR 111 N -0.99 0.16 0.35 4.11 -4.23 -1.26 -5.04 115.64 108.74 2dj1 s THR 111 Ca 0.27 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 2dj1 s THR 111 Cb -0.10 -0.67 0.15 0.00 1.34 0.00 0.00 72.50 73.23 2dj1 s THR 111 CO -0.09 -0.65 1.88 -0.61 -0.54 0.00 0.00 174.62 174.61 2dj1 h GLN 112 N 4.17 0.41 0.21 3.99 4.15 -1.95 -1.25 115.11 124.84 2dj1 h GLN 112 Ca -0.33 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 58.99 2dj1 h GLN 112 Cb 1.19 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2dj1 h GLN 112 CO 0.49 0.49 -0.10 0.93 -1.93 0.00 0.00 178.83 178.70 2dj1 h GLU 113 N 0.39 -0.27 0.13 1.69 3.07 -1.98 -2.60 114.58 115.00 2dj1 h GLU 113 Ca 0.08 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 2dj1 h GLU 113 Cb 0.36 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2dj1 h GLU 113 CO 0.02 0.10 -0.06 0.93 -1.40 0.00 0.00 179.01 178.60 2dj1 h GLU 114 N -0.74 -0.16 -0.93 2.33 5.08 -1.90 0.42 114.58 118.67 2dj1 h GLU 114 Ca -0.03 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 2dj1 h GLU 114 Cb 0.50 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.65 2dj1 h GLU 114 CO 0.05 -0.11 -0.40 -0.89 -1.00 0.00 0.00 179.01 176.66 2dj1 n ILE 115 N -2.48 -0.52 -0.29 3.13 5.41 -0.48 0.80 119.36 124.93 2dj1 n ILE 115 Ca -0.02 2.20 -0.06 0.00 1.00 0.00 0.00 62.75 65.87 2dj1 n ILE 115 Cb 0.07 -2.86 0.06 0.00 -0.71 0.00 0.00 39.64 36.20 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 1.26 -0.47 1.39 2.07 -1.48 0.30 116.25 119.33 2dj1 h VAL 116 Ca 0.29 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2dj1 h VAL 116 Cb 0.52 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2dj1 h VAL 116 CO -0.91 0.35 0.28 0.00 0.02 0.00 0.00 177.57 177.30 2dj1 h ALA 117 N 1.16 1.62 0.11 1.67 0.00 0.50 0.37 119.26 124.70 2dj1 h ALA 117 Ca 0.26 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2dj1 h ALA 117 Cb 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.86 2dj1 h ALA 117 CO -0.02 0.33 -0.67 -0.22 0.00 0.00 0.00 179.25 178.67 2dj1 h LYS 118 N 0.64 0.23 -0.32 0.00 1.63 -0.03 -2.48 116.57 116.24 2dj1 h LYS 118 Ca 0.17 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2dj1 h LYS 118 Cb -0.03 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 2dj1 h LYS 118 CO -0.03 1.19 0.19 0.28 -3.45 0.00 0.00 179.45 177.62 2dj1 h VAL 119 N -0.50 1.10 0.08 2.00 2.07 -0.74 0.21 116.25 120.47 2dj1 h VAL 119 Ca -0.12 -0.23 -0.22 0.00 0.82 0.00 0.00 66.70 66.94 2dj1 h VAL 119 Cb 1.51 0.65 0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2dj1 h VAL 119 CO 0.11 0.10 -0.93 0.08 0.02 0.00 0.00 177.57 176.96 2dj1 h ARG 120 N 0.44 0.49 -0.47 1.57 0.11 -1.02 -2.85 114.38 112.65 2dj1 h ARG 120 Ca 0.12 -0.63 -0.12 0.00 0.10 0.00 0.00 59.98 59.45 2dj1 h ARG 120 Cb -0.00 0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 2dj1 h ARG 120 CO -0.02 1.26 -0.18 1.05 0.10 0.00 0.00 179.97 182.18 2dj1 h GLU 121 N 0.01 0.92 0.52 0.08 4.11 -1.05 -3.22 114.58 115.95 2dj1 h GLU 121 Ca -0.14 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 58.90 2dj1 h GLU 121 Cb 1.65 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.85 2dj1 h GLU 121 CO 0.18 1.02 -0.25 0.28 0.07 0.00 0.00 179.01 180.31 2dj1 h VAL 122 N 0.81 0.45 -1.49 -1.06 2.07 -0.68 -2.77 116.25 113.58 2dj1 h VAL 122 Ca 0.12 -0.22 0.47 0.00 0.82 0.00 0.00 66.70 67.88 2dj1 h VAL 122 Cb 0.73 0.55 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 2dj1 h VAL 122 CO 0.06 0.04 1.01 0.77 0.02 0.00 0.00 177.57 179.46 2dj1 h SER 123 N -0.84 0.16 -3.39 0.57 4.64 -1.53 -3.41 113.55 109.75 2dj1 h SER 123 Ca -0.07 0.09 -0.57 0.00 -0.47 0.00 0.00 61.79 60.77 2dj1 h SER 123 Cb 0.59 0.08 0.12 0.00 -0.31 0.00 0.00 62.40 62.89 2dj1 h SER 123 CO 0.12 -0.12 0.41 0.00 -0.87 0.00 0.00 176.83 176.36 2dj1 n GLN 124 N -4.45 1.79 0.22 4.77 1.13 -1.05 -4.89 117.38 114.91 2dj1 n GLN 124 Ca 0.38 0.64 0.09 0.00 -1.94 0.00 0.00 57.00 56.17 2dj1 n GLN 124 Cb 1.59 -2.29 0.49 0.00 0.11 0.00 0.00 30.24 30.14 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 1.98 0.00 -0.03 -1.09 0.13 -1.87 -3.10 132.00 128.02 2dj1 h PRO 125 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 2dj1 h PRO 125 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 2dj1 h PRO 125 CO 0.59 0.25 -0.74 0.38 -0.23 0.00 0.00 178.00 178.25 2dj1 h ASP 126 N 0.00 0.71 -2.55 1.44 3.04 -1.90 -3.45 116.42 113.71 2dj1 h ASP 126 Ca -0.00 -0.72 -0.60 0.00 -3.24 0.00 0.00 57.03 52.47 2dj1 h ASP 126 Cb 0.68 -0.22 0.11 0.00 -1.04 0.00 0.00 39.33 38.86 2dj1 h ASP 126 CO 0.03 1.33 0.21 1.87 -2.04 0.00 0.00 179.24 180.64 2dj1 n TRP 127 N -4.08 1.43 -4.36 4.15 -0.00 -1.17 -5.00 117.44 108.42 2dj1 n TRP 127 Ca -0.10 0.67 -0.22 0.00 -0.00 0.00 0.00 57.50 57.85 2dj1 n TRP 127 Cb 0.73 -2.28 -0.13 0.00 -0.00 0.00 0.00 31.31 29.63 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 -0.96 1.44 0.25 5.87 -4.23 -1.26 -4.96 115.64 111.79 2dj1 s THR 128 Ca 0.60 -1.29 -0.30 0.00 -1.18 0.00 0.00 61.69 59.52 2dj1 s THR 128 Cb -0.69 -1.30 -0.09 0.00 1.34 0.00 0.00 72.50 71.75 2dj1 s THR 128 CO 0.59 -0.02 1.27 -2.16 -0.54 0.00 0.00 174.62 173.76 2dj1 s PRO 129 N -1.52 4.43 0.86 3.99 0.04 -1.26 -5.02 135.00 136.51 2dj1 s PRO 129 Ca 0.04 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2dj1 s PRO 129 Cb -0.09 -3.16 0.11 0.00 0.04 0.00 0.00 34.50 31.40 2dj1 s PRO 129 CO 0.03 -0.14 1.09 -1.25 0.04 0.00 0.00 177.00 176.77 2dj1 s PRO 130 N -0.87 1.54 0.73 0.56 0.04 -1.26 -5.05 135.00 130.70 2dj1 s PRO 130 Ca 0.52 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 2dj1 s PRO 130 Cb -0.36 -1.83 0.18 0.00 0.04 0.00 0.00 34.50 32.52 2dj1 s PRO 130 CO 0.43 -2.07 0.65 -0.35 0.04 0.00 0.00 177.00 175.70 2dj1 n PRO 131 N -3.78 -2.30 -3.54 0.56 -0.04 -1.26 -4.39 135.00 120.26 2dj1 n PRO 131 Ca 0.08 -1.04 -0.22 0.00 -0.04 0.00 0.00 63.50 62.28 2dj1 n PRO 131 Cb 0.55 -0.98 0.08 0.00 -0.04 0.00 0.00 33.50 33.11 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 -3.50 -7.53 -3.21 0.54 4.07 -1.26 -4.96 120.64 104.78 2dj1 n GLU 132 Ca 0.09 0.82 -0.39 0.00 -0.06 0.00 0.00 57.16 57.62 2dj1 n GLU 132 Cb 0.35 -5.84 -0.06 0.00 -0.06 0.00 0.00 31.44 25.83 2dj1 n GLU 132 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2dj1 s VAL 133 N -3.33 5.08 -0.02 6.31 1.01 -1.26 -5.07 120.40 123.13 2dj1 s VAL 133 Ca 0.43 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.45 2dj1 s VAL 133 Cb -0.19 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2dj1 s VAL 133 CO 0.72 0.17 -0.06 -0.89 0.00 0.00 0.00 175.10 175.03 2dj1 s THR 134 N 1.66 3.72 -1.31 3.92 2.01 -1.26 -4.59 115.64 119.80 2dj1 s THR 134 Ca 0.26 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 2dj1 s THR 134 Cb -0.16 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.78 2dj1 s THR 134 CO 0.10 0.47 1.11 -1.20 -0.69 0.00 0.00 174.62 174.41 2dj1 n SER 135 N 1.79 -4.81 0.00 3.53 7.64 -1.26 -4.99 113.62 115.52 2dj1 n SER 135 Ca -0.16 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2dj1 n SER 135 Cb 0.53 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.71 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 -1.71 -1.27 3.72 0.23 0.00 -1.26 -4.79 105.19 100.11 2dj1 n GLY 136 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 4.34 -0.30 1.61 0.04 -1.26 -4.91 135.00 134.52 2dj1 s PRO 137 Ca 0.00 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 2dj1 s PRO 137 Cb 0.00 -3.25 0.18 0.00 0.04 0.00 0.00 34.50 31.46 2dj1 s PRO 137 CO 0.00 -0.40 1.07 0.45 0.04 0.00 0.00 177.00 178.16 2dj1 s SER 138 N 1.03 -0.44 0.42 6.66 0.15 -1.26 -5.03 113.70 115.23 2dj1 s SER 138 Ca 0.63 0.44 0.10 0.00 0.70 0.00 0.00 55.95 57.82 2dj1 s SER 138 Cb -0.36 1.43 0.89 0.00 -1.71 0.00 0.00 66.02 66.27 2dj1 s SER 138 CO 0.31 -0.08 1.99 0.77 1.20 0.00 0.00 173.24 177.42 2dj1 h SER 139 N 7.64 0.23 0.00 5.45 4.64 -2.01 -3.54 113.55 125.95 2dj1 h SER 139 Ca -0.14 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2dj1 h SER 139 Cb 1.14 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2dj1 h SER 139 CO 0.00 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.87