#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 4.16 -0.08 1.61 1.04 -1.26 -5.09 113.70 114.09 2dj1 s SER 2 Ca 0.00 -1.55 -0.32 0.00 0.48 0.00 0.00 55.95 54.56 2dj1 s SER 2 Cb 0.00 -1.25 0.12 0.00 0.10 0.00 0.00 66.02 65.00 2dj1 s SER 2 CO 0.00 -0.31 1.22 -0.94 0.98 0.00 0.00 173.24 174.19 2dj1 s SER 3 N 1.30 -0.11 -0.62 7.02 1.04 -1.26 -5.04 113.70 116.03 2dj1 s SER 3 Ca 0.02 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.34 2dj1 s SER 3 Cb -0.19 0.18 0.38 0.00 0.10 0.00 0.00 66.02 66.49 2dj1 s SER 3 CO -0.11 -0.32 2.06 0.61 0.98 0.00 0.00 173.24 176.47 2dj1 n GLY 4 N -0.31 5.45 3.62 7.32 0.00 -1.26 -4.89 105.19 115.11 2dj1 n GLY 4 Ca -0.05 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 2dj1 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dj1 s SER 5 N -1.28 -0.30 -0.29 1.61 1.04 -1.26 -5.07 113.70 108.15 2dj1 s SER 5 Ca 0.57 0.45 0.16 0.00 0.48 0.00 0.00 55.95 57.61 2dj1 s SER 5 Cb 0.45 0.42 0.48 0.00 0.10 0.00 0.00 66.02 67.46 2dj1 s SER 5 CO -0.07 -0.19 1.11 -1.20 0.98 0.00 0.00 173.24 173.88 2dj1 n SER 6 N 1.31 2.86 -2.94 7.02 7.64 -1.26 -5.03 113.62 123.23 2dj1 n SER 6 Ca -0.09 -2.80 -0.10 0.00 1.01 0.00 0.00 58.87 56.88 2dj1 n SER 6 Cb 0.57 -0.44 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.54 -1.68 3.56 0.23 0.00 -1.26 -4.79 105.19 100.70 2dj1 n GLY 7 Ca 0.21 1.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.95 2dj1 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dj1 s ASP 8 N -2.15 5.43 -1.62 1.61 1.47 -1.26 -3.87 116.67 116.28 2dj1 s ASP 8 Ca 0.20 -0.83 -0.14 0.00 1.18 0.00 0.00 52.55 52.96 2dj1 s ASP 8 Cb -0.05 -2.56 0.11 0.00 -0.34 0.00 0.00 42.92 40.08 2dj1 s ASP 8 CO 0.75 -2.48 0.72 0.47 0.68 0.00 0.00 175.17 175.31 2dj1 n ASP 9 N 12.89 -2.77 0.02 2.11 9.92 -1.26 -4.80 116.55 132.64 2dj1 n ASP 9 Ca 0.38 -0.99 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 2dj1 n ASP 9 Cb 0.48 -2.95 0.00 0.00 -0.64 0.00 0.00 41.12 38.01 2dj1 n ASP 9 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2dj1 n ASP 10 N -2.75 0.18 -4.35 -2.24 -0.08 -1.25 -4.94 116.55 101.11 2dj1 n ASP 10 Ca -0.02 0.05 -0.46 0.00 -1.51 0.00 0.00 54.79 52.85 2dj1 n ASP 10 Cb 0.54 -0.03 -0.02 0.00 2.34 0.00 0.00 41.12 43.95 2dj1 n ASP 10 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2dj1 s LEU 11 N -6.03 6.47 0.31 -2.67 1.43 -1.26 -5.00 118.68 111.92 2dj1 s LEU 11 Ca 0.00 -2.82 0.08 0.00 -1.03 0.00 0.00 54.13 50.35 2dj1 s LEU 11 Cb 0.00 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2dj1 s LEU 11 CO 0.00 -0.57 0.23 -0.70 0.23 0.00 0.00 176.35 175.54 2dj1 s GLU 12 N 0.15 2.70 -0.12 1.70 2.12 -1.26 -4.96 118.70 119.03 2dj1 s GLU 12 Ca 0.23 -1.28 -0.09 0.00 0.36 0.00 0.00 54.97 54.19 2dj1 s GLU 12 Cb -0.09 -2.44 0.04 0.00 0.26 0.00 0.00 34.13 31.90 2dj1 s GLU 12 CO -0.09 0.19 0.30 0.08 -0.54 0.00 0.00 175.26 175.21 2dj1 s VAL 13 N -2.28 -0.01 0.47 3.70 1.01 -1.26 -4.70 120.40 117.33 2dj1 s VAL 13 Ca 0.38 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.42 2dj1 s VAL 13 Cb -0.06 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.92 2dj1 s VAL 13 CO 0.25 0.01 0.24 0.29 0.00 0.00 0.00 175.10 175.89 2dj1 n LYS 14 N 3.30 0.83 -3.70 2.72 5.02 -1.26 -4.98 118.16 120.08 2dj1 n LYS 14 Ca -0.16 -3.09 -0.14 0.00 -2.02 0.00 0.00 58.31 52.89 2dj1 n LYS 14 Cb 0.57 0.51 -0.08 0.00 -0.02 0.00 0.00 35.03 36.00 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 -3.85 0.70 -0.24 1.97 -1.05 -1.26 -0.38 118.70 114.59 2dj1 s GLU 15 Ca 0.18 0.10 -0.02 0.00 -0.15 0.00 0.00 54.97 55.08 2dj1 s GLU 15 Cb -0.01 0.32 0.07 0.00 -0.44 0.00 0.00 34.13 34.07 2dj1 s GLU 15 CO 0.11 -0.18 0.04 -1.21 0.95 0.00 0.00 175.26 174.97 2dj1 s GLU 16 N -0.91 0.85 -1.69 -4.83 2.02 0.78 -4.79 118.70 110.14 2dj1 s GLU 16 Ca -0.10 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.15 2dj1 s GLU 16 Cb -0.04 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.03 2dj1 s GLU 16 CO 0.04 -0.74 0.15 0.09 0.02 0.00 0.00 175.26 174.82 2dj1 n ASN 17 N 4.92 -5.87 0.00 -0.19 3.02 -1.26 -1.34 115.26 114.54 2dj1 n ASN 17 Ca -0.07 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2dj1 n ASN 17 Cb 0.45 -4.84 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 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 -1.14 3.46 3.53 7.41 0.00 -1.26 -4.71 105.19 112.47 2dj1 n GLY 18 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.92 4.32 0.40 1.61 1.01 -0.45 -4.65 120.40 119.72 2dj1 s VAL 19 Ca 0.00 0.37 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 2dj1 s VAL 19 Cb 0.00 -4.58 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 2dj1 s VAL 19 CO 0.00 -1.17 1.33 0.26 0.00 0.00 0.00 175.10 175.52 2dj1 s TRP 20 N 4.13 2.80 -0.51 5.22 0.52 -0.40 -0.15 118.94 130.54 2dj1 s TRP 20 Ca 0.32 1.38 -0.19 0.00 0.02 0.00 0.00 56.10 57.63 2dj1 s TRP 20 Cb -0.12 -3.72 0.07 0.00 -1.15 0.00 0.00 33.47 28.54 2dj1 s TRP 20 CO 0.20 -2.21 0.60 0.08 0.02 0.00 0.00 176.95 175.64 2dj1 s VAL 21 N -1.23 4.92 0.29 4.03 1.01 0.48 -0.38 120.40 129.53 2dj1 s VAL 21 Ca 0.56 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2dj1 s VAL 21 Cb -0.40 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 2dj1 s VAL 21 CO 0.51 -0.82 0.36 -0.76 0.00 0.00 0.00 175.10 174.40 2dj1 s LEU 22 N 2.48 4.01 -0.07 3.92 1.43 -0.75 -4.15 118.68 125.56 2dj1 s LEU 22 Ca 0.13 -0.15 -0.32 0.00 -1.03 0.00 0.00 54.13 52.76 2dj1 s LEU 22 Cb -0.21 -2.64 0.12 0.00 0.03 0.00 0.00 46.19 43.50 2dj1 s LEU 22 CO 0.10 -0.22 1.24 0.54 0.23 0.00 0.00 176.35 178.24 2dj1 s ASN 23 N -4.02 -0.09 0.64 2.29 4.22 -1.26 -4.42 114.94 112.29 2dj1 s ASN 23 Ca 0.38 -0.10 0.17 0.00 -2.14 0.00 0.00 52.86 51.17 2dj1 s ASN 23 Cb -0.08 0.17 0.93 0.00 1.28 0.00 0.00 41.25 43.55 2dj1 s ASN 23 CO 0.29 -0.31 1.52 -2.24 -2.04 0.00 0.00 177.10 174.31 2dj1 h ASP 24 N 2.00 0.00 0.01 3.54 2.03 -1.97 1.58 116.42 123.61 2dj1 h ASP 24 Ca -0.23 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.89 2dj1 h ASP 24 Cb 1.19 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.71 2dj1 h ASP 24 CO 0.26 0.00 -0.71 1.23 -1.03 0.00 0.00 179.24 179.00 2dj1 h GLY 25 N 0.00 0.52 -3.16 7.15 0.00 -1.98 -3.38 103.07 102.22 2dj1 h GLY 25 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 47.33 46.20 2dj1 h GLY 25 CO 0.00 0.82 -0.89 1.16 0.00 0.00 0.00 176.54 177.63 2dj1 n ASN 26 N -4.14 1.90 0.15 0.19 6.94 0.10 -4.84 115.26 115.56 2dj1 n ASN 26 Ca -0.11 -2.74 -0.10 0.00 -0.02 0.00 0.00 54.58 51.61 2dj1 n ASN 26 Cb 0.73 -0.40 -0.05 0.00 -2.36 0.00 0.00 39.78 37.69 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 1.54 -0.42 -0.14 -2.53 3.04 0.19 -2.95 116.94 115.67 2dj1 h PHE 27 Ca -0.06 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.76 2dj1 h PHE 27 Cb 1.48 0.14 0.00 0.00 2.56 0.00 0.00 35.95 40.13 2dj1 h PHE 27 CO 0.50 -0.14 -0.39 0.22 -2.02 0.00 0.00 178.31 176.47 2dj1 h ASP 28 N -1.04 0.59 -1.01 0.41 1.82 -1.87 -2.47 116.42 112.84 2dj1 h ASP 28 Ca -0.05 -0.59 0.24 0.00 -0.39 0.00 0.00 57.03 56.24 2dj1 h ASP 28 Cb 0.47 -0.17 -0.10 0.00 0.68 0.00 0.00 39.33 40.21 2dj1 h ASP 28 CO 0.08 1.07 0.64 -1.13 -1.61 0.00 0.00 179.24 178.29 2dj1 h ASN 29 N 0.13 0.54 0.07 2.28 -0.73 -1.89 1.71 115.58 117.70 2dj1 h ASN 29 Ca -0.01 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.25 2dj1 h ASN 29 Cb 1.01 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.60 2dj1 h ASN 29 CO 0.08 0.14 -0.03 0.15 -0.37 0.00 0.00 177.43 177.40 2dj1 h PHE 30 N 0.50 -0.08 0.00 0.67 3.57 -1.49 -3.25 116.94 116.86 2dj1 h PHE 30 Ca 0.58 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.08 2dj1 h PHE 30 Cb 1.30 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2dj1 h PHE 30 CO -0.00 0.41 0.00 1.33 -2.23 0.00 0.00 178.31 177.82 2dj1 n VAL 31 N -4.78 0.14 0.06 1.41 0.24 -0.82 -3.66 118.33 110.91 2dj1 n VAL 31 Ca -0.06 0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 2dj1 n VAL 31 Cb 0.26 -0.72 -0.05 0.00 -1.47 0.00 0.00 33.84 31.86 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 3.13 -0.42 -1.17 2.33 0.00 0.25 -2.81 119.26 120.57 2dj1 h ALA 32 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.20 2dj1 h ALA 32 Cb 0.06 0.53 -0.32 0.00 0.00 0.00 0.00 17.79 18.05 2dj1 h ALA 32 CO 0.00 -0.80 0.43 -3.47 0.00 0.00 0.00 179.25 175.41 2dj1 n ASP 33 N -5.40 6.55 -3.78 0.00 2.03 -1.24 -4.95 116.55 109.76 2dj1 n ASP 33 Ca -0.05 -3.80 -0.13 0.00 0.52 0.00 0.00 54.79 51.33 2dj1 n ASP 33 Cb 0.31 -0.85 -0.14 0.00 -0.72 0.00 0.00 41.12 39.72 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 -3.89 0.08 -0.12 -0.67 1.02 -1.06 -5.07 119.74 110.04 2dj1 s LYS 34 Ca 0.51 0.28 -0.11 0.00 0.02 0.00 0.00 55.97 56.67 2dj1 s LYS 34 Cb 0.43 -0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 37.52 2dj1 s LYS 34 CO -0.33 -0.12 0.27 0.38 -0.92 0.00 0.00 175.35 174.63 2dj1 h ASP 35 N 6.88 0.00 -3.60 2.83 2.03 -1.89 -3.41 116.42 119.25 2dj1 h ASP 35 Ca -0.38 -0.36 -0.68 0.00 -0.73 0.00 0.00 57.03 54.89 2dj1 h ASP 35 Cb 1.16 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.35 2dj1 h ASP 35 CO 0.44 0.69 -0.70 -0.89 -1.03 0.00 0.00 179.24 177.75 2dj1 s THR 36 N -1.80 3.20 -0.19 1.15 2.01 -1.26 -0.34 115.64 118.40 2dj1 s THR 36 Ca -0.07 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.91 2dj1 s THR 36 Cb -0.01 -2.69 0.04 0.00 0.01 0.00 0.00 72.50 69.85 2dj1 s THR 36 CO 0.25 0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.47 2dj1 s VAL 37 N 1.35 1.67 0.03 3.82 1.01 -0.45 -4.53 120.40 123.29 2dj1 s VAL 37 Ca -0.01 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 2dj1 s VAL 37 Cb -0.18 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2dj1 s VAL 37 CO -0.02 0.21 0.90 -0.22 0.00 0.00 0.00 175.10 175.97 2dj1 s LEU 38 N 1.39 4.41 0.00 3.92 2.96 -1.25 -0.38 118.68 129.74 2dj1 s LEU 38 Ca -0.01 1.59 0.07 0.00 -0.22 0.00 0.00 54.13 55.57 2dj1 s LEU 38 Cb -0.16 -3.45 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 2dj1 s LEU 38 CO -0.09 -0.14 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.82 2dj1 s LEU 39 N 0.53 2.08 -0.18 -0.68 1.43 -0.43 -2.47 118.68 118.95 2dj1 s LEU 39 Ca 0.46 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2dj1 s LEU 39 Cb -0.21 -1.12 0.05 0.00 0.03 0.00 0.00 46.19 44.94 2dj1 s LEU 39 CO 0.26 0.25 0.00 -0.70 0.23 0.00 0.00 176.35 176.39 2dj1 s GLU 40 N -0.73 0.95 -0.01 1.70 2.12 -0.95 -0.39 118.70 121.39 2dj1 s GLU 40 Ca 0.09 -0.48 -0.22 0.00 0.36 0.00 0.00 54.97 54.72 2dj1 s GLU 40 Cb -0.09 -2.06 -0.05 0.00 0.26 0.00 0.00 34.13 32.20 2dj1 s GLU 40 CO -0.00 -0.56 0.66 -0.06 -0.54 0.00 0.00 175.26 174.75 2dj1 s PHE 41 N 1.75 3.66 0.28 5.30 0.40 0.32 -0.96 117.98 128.74 2dj1 s PHE 41 Ca -0.01 1.26 0.01 0.00 -0.60 0.00 0.00 56.93 57.59 2dj1 s PHE 41 Cb -0.17 -2.70 -0.02 0.00 0.51 0.00 0.00 43.02 40.64 2dj1 s PHE 41 CO -0.07 0.26 0.29 1.52 0.70 0.00 0.00 175.22 177.92 2dj1 s TYR 42 N 0.13 1.28 -0.00 0.36 -0.85 -0.86 -2.56 117.35 114.85 2dj1 s TYR 42 Ca 0.34 -1.40 -0.01 0.00 -0.52 0.00 0.00 57.07 55.48 2dj1 s TYR 42 Cb -0.18 -0.44 -0.00 0.00 0.38 0.00 0.00 41.96 41.71 2dj1 s TYR 42 CO 0.18 -0.87 0.02 0.00 -1.52 0.00 0.00 175.55 173.37 2dj1 s ALA 43 N -3.64 -0.05 0.14 9.51 0.00 -1.26 -3.39 121.76 123.08 2dj1 s ALA 43 Ca 0.36 -0.05 0.33 0.00 0.00 0.00 0.00 51.96 52.60 2dj1 s ALA 43 Cb 0.03 -0.00 1.37 0.00 0.00 0.00 0.00 23.12 24.52 2dj1 s ALA 43 CO 0.19 -0.05 1.99 -1.00 0.00 0.00 0.00 175.76 176.89 2dj1 h PRO 44 N 5.74 0.00 0.00 0.00 0.13 -2.01 -2.91 132.00 132.96 2dj1 h PRO 44 Ca -0.26 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.61 2dj1 h PRO 44 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2dj1 h PRO 44 CO 0.47 0.03 -1.60 0.11 -0.23 0.00 0.00 178.00 176.78 2dj1 h TRP 45 N 0.00 0.00 -0.65 1.56 5.08 -2.06 -3.42 115.95 116.46 2dj1 h TRP 45 Ca -0.00 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.48 2dj1 h TRP 45 Cb 0.51 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.61 2dj1 h TRP 45 CO 0.00 0.90 1.58 0.00 -1.28 0.00 0.00 178.44 179.65 2dj1 h GLY 47 N 15.41 1.19 -0.32 0.00 0.00 -1.82 0.22 103.07 117.75 2dj1 h GLY 47 Ca 0.32 -0.20 0.33 0.00 0.00 0.00 0.00 47.33 47.78 2dj1 h GLY 47 CO 1.33 -0.14 0.84 0.45 0.00 0.00 0.00 176.54 179.02 2dj1 h HIS 48 N 0.38 0.00 -0.21 5.60 3.86 -1.94 0.74 115.15 123.57 2dj1 h HIS 48 Ca 0.60 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.71 2dj1 h HIS 48 Cb 1.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 2dj1 h HIS 48 CO -0.00 0.00 -0.29 0.00 0.86 0.00 0.00 177.93 178.50 2dj1 h LYS 50 N 0.36 0.23 -0.30 0.00 1.57 0.37 0.97 116.57 119.78 2dj1 h LYS 50 Ca 0.05 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 2dj1 h LYS 50 Cb 0.69 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2dj1 h LYS 50 CO 0.05 0.15 -0.47 -0.56 -0.57 0.00 0.00 179.45 178.05 2dj1 h GLN 51 N 0.24 0.81 0.00 3.15 3.07 -1.64 -3.00 115.11 117.74 2dj1 h GLN 51 Ca 0.71 -0.47 0.00 0.00 0.09 0.00 0.00 58.65 58.99 2dj1 h GLN 51 Cb 2.03 0.04 0.00 0.00 0.08 0.00 0.00 27.48 29.62 2dj1 h GLN 51 CO -0.38 1.10 -0.20 0.35 0.09 0.00 0.00 178.83 179.79 2dj1 h PHE 52 N 0.64 0.00 -0.14 0.06 3.57 0.29 -3.33 116.94 118.03 2dj1 h PHE 52 Ca 0.03 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2dj1 h PHE 52 Cb 1.05 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 2dj1 h PHE 52 CO 0.06 0.00 -0.50 0.00 -2.23 0.00 0.00 178.31 175.64 2dj1 h ALA 53 N 2.30 -0.85 0.00 2.41 0.00 0.74 0.28 119.26 124.14 2dj1 h ALA 53 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2dj1 h ALA 53 Cb 0.85 0.98 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2dj1 h ALA 53 CO 0.00 -1.04 -0.48 -1.00 0.00 0.00 0.00 179.25 176.73 2dj1 h PRO 54 N -0.52 0.00 -0.52 0.00 0.13 -1.71 -3.09 132.00 126.28 2dj1 h PRO 54 Ca 0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.09 2dj1 h PRO 54 Cb 0.62 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 2dj1 h PRO 54 CO -0.41 0.48 0.04 1.49 -0.23 0.00 0.00 178.00 179.38 2dj1 h GLU 55 N 0.00 0.88 -0.55 0.86 4.81 -1.47 -3.03 114.58 116.09 2dj1 h GLU 55 Ca -0.00 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 2dj1 h GLU 55 Cb 0.86 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2dj1 h GLU 55 CO 0.06 0.89 0.24 -0.92 -0.73 0.00 0.00 179.01 178.55 2dj1 h TYR 56 N 0.76 0.82 -0.69 0.92 3.20 -0.40 -2.86 116.97 118.71 2dj1 h TYR 56 Ca 0.15 -0.05 0.14 0.00 3.14 0.00 0.00 58.73 62.11 2dj1 h TYR 56 Cb 0.46 -0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.38 2dj1 h TYR 56 CO 0.03 0.65 0.15 0.93 -1.64 0.00 0.00 178.16 178.29 2dj1 h GLU 57 N 0.75 0.25 -0.85 1.82 4.39 -1.46 0.81 114.58 120.29 2dj1 h GLU 57 Ca 0.19 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.98 2dj1 h GLU 57 Cb 0.17 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.68 2dj1 h GLU 57 CO -0.02 0.16 0.48 0.87 -1.16 0.00 0.00 179.01 179.35 2dj1 h LYS 58 N 0.26 0.74 -0.06 2.33 1.57 -1.44 -0.29 116.57 119.68 2dj1 h LYS 58 Ca 0.38 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 2dj1 h LYS 58 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2dj1 h LYS 58 CO -0.48 0.49 -0.52 0.82 -0.57 0.00 0.00 179.45 179.19 2dj1 h ILE 59 N 0.76 1.36 0.23 1.86 2.04 -0.90 -2.55 117.51 120.31 2dj1 h ILE 59 Ca 0.43 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.51 2dj1 h ILE 59 Cb 0.46 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2dj1 h ILE 59 CO -0.28 0.52 -0.22 0.00 0.00 0.00 0.00 178.15 178.17 2dj1 h ALA 60 N 1.35 -0.46 -0.60 1.87 0.00 0.49 -1.25 119.26 120.66 2dj1 h ALA 60 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2dj1 h ALA 60 Cb 0.95 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2dj1 h ALA 60 CO 0.08 -0.78 0.00 1.03 0.00 0.00 0.00 179.25 179.58 2dj1 h SER 61 N -0.48 1.03 0.21 0.00 0.87 -1.49 -0.48 113.55 113.23 2dj1 h SER 61 Ca -0.01 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2dj1 h SER 61 Cb 0.44 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2dj1 h SER 61 CO -0.04 1.08 -0.38 0.74 -0.53 0.00 0.00 176.83 177.70 2dj1 h THR 62 N 0.97 0.22 0.00 2.23 2.02 -1.20 -1.46 112.91 115.69 2dj1 h THR 62 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2dj1 h THR 62 Cb 0.55 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2dj1 h THR 62 CO 0.03 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.85 2dj1 h LEU 63 N -0.67 0.00 0.00 2.58 3.38 -1.22 -2.48 115.31 116.89 2dj1 h LEU 63 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dj1 h LEU 63 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2dj1 h LEU 63 CO -0.16 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.54 2dj1 n LYS 64 N -2.99 0.26 0.00 1.13 4.81 -0.19 0.09 118.16 121.27 2dj1 n LYS 64 Ca 0.01 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2dj1 n LYS 64 Cb 0.34 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.89 2dj1 n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2dj1 n ASP 65 N -1.31 0.66 -3.80 3.14 2.03 -0.96 -4.73 116.55 111.58 2dj1 n ASP 65 Ca 0.09 -0.39 -0.30 0.00 0.52 0.00 0.00 54.79 54.72 2dj1 n ASP 65 Cb 0.18 0.91 0.27 0.00 -0.72 0.00 0.00 41.12 41.76 2dj1 n ASP 65 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dj1 s ASN 66 N -1.04 -0.28 -0.16 1.67 4.22 -1.02 -4.76 114.94 113.57 2dj1 s ASN 66 Ca 0.00 1.01 -0.02 0.00 -2.14 0.00 0.00 52.86 51.72 2dj1 s ASN 66 Cb 0.00 -1.50 0.05 0.00 1.28 0.00 0.00 41.25 41.08 2dj1 s ASN 66 CO 0.00 -4.91 0.01 -1.81 -2.04 0.00 0.00 177.10 168.35 2dj1 s ASP 67 N -3.05 2.63 0.48 3.54 1.01 -1.26 0.15 116.67 120.18 2dj1 s ASP 67 Ca 0.69 -0.64 -0.22 0.00 0.71 0.00 0.00 52.55 53.09 2dj1 s ASP 67 Cb -0.16 -0.65 -0.07 0.00 1.01 0.00 0.00 42.92 43.05 2dj1 s ASP 67 CO 0.60 -0.25 1.15 -2.16 0.21 0.00 0.00 175.17 174.72 2dj1 s PRO 68 N 1.82 3.64 -0.33 8.23 0.04 -1.26 -5.08 135.00 142.05 2dj1 s PRO 68 Ca 0.01 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2dj1 s PRO 68 Cb -0.16 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 2dj1 s PRO 68 CO -0.07 -0.64 1.69 -1.25 0.04 0.00 0.00 177.00 176.77 2dj1 s PRO 69 N -2.87 3.46 0.33 0.56 0.04 0.12 -4.98 135.00 131.66 2dj1 s PRO 69 Ca 0.66 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 2dj1 s PRO 69 Cb -0.27 -4.14 -0.07 0.00 0.04 0.00 0.00 34.50 30.07 2dj1 s PRO 69 CO 0.32 -1.70 0.67 0.42 0.04 0.00 0.00 177.00 176.75 2dj1 s ILE 70 N 6.31 4.85 -0.34 0.56 1.01 0.11 -4.93 121.20 128.78 2dj1 s ILE 70 Ca 0.75 0.52 -0.06 0.00 0.00 0.00 0.00 60.65 61.85 2dj1 s ILE 70 Cb -0.21 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.61 2dj1 s ILE 70 CO 0.33 -0.33 0.10 0.00 0.00 0.00 0.00 174.94 175.04 2dj1 s ALA 71 N -2.13 3.03 0.20 9.38 0.00 -1.26 -2.81 121.76 128.18 2dj1 s ALA 71 Ca 0.49 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 50.43 2dj1 s ALA 71 Cb -0.11 -2.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.68 2dj1 s ALA 71 CO 0.26 -1.33 0.85 0.08 0.00 0.00 0.00 175.76 175.63 2dj1 s VAL 72 N 1.39 4.23 0.10 0.00 1.01 -1.26 -3.87 120.40 122.00 2dj1 s VAL 72 Ca -0.02 1.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.82 2dj1 s VAL 72 Cb -0.20 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2dj1 s VAL 72 CO 0.03 0.51 0.08 0.00 0.00 0.00 0.00 175.10 175.71 2dj1 s ALA 73 N -1.16 0.50 0.12 5.51 0.00 -1.03 -1.28 121.76 124.42 2dj1 s ALA 73 Ca 0.38 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.22 2dj1 s ALA 73 Cb -0.24 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 2dj1 s ALA 73 CO 0.29 -0.47 -0.18 -1.59 0.00 0.00 0.00 175.76 173.81 2dj1 s LYS 74 N -3.97 1.10 -0.02 0.00 -2.85 0.49 -2.25 119.74 112.25 2dj1 s LYS 74 Ca 0.15 -1.22 -0.02 0.00 -1.00 0.00 0.00 55.97 53.88 2dj1 s LYS 74 Cb 0.07 -1.21 0.01 0.00 -2.06 0.00 0.00 37.83 34.64 2dj1 s LYS 74 CO -0.04 0.26 0.06 0.42 0.10 0.00 0.00 175.35 176.16 2dj1 s ILE 75 N -1.61 -0.00 -0.85 3.79 1.01 -0.13 -1.81 121.20 121.60 2dj1 s ILE 75 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.56 2dj1 s ILE 75 Cb -0.08 -0.10 0.15 0.00 0.01 0.00 0.00 42.46 42.44 2dj1 s ILE 75 CO 0.04 0.00 0.96 -0.62 0.00 0.00 0.00 174.94 175.33 2dj1 s ASP 76 N 0.04 6.59 0.29 3.58 -1.08 -1.26 -2.02 116.67 122.81 2dj1 s ASP 76 Ca -0.00 -2.10 -0.01 0.00 -0.52 0.00 0.00 52.55 49.92 2dj1 s ASP 76 Cb -0.01 -2.33 0.66 0.00 -1.46 0.00 0.00 42.92 39.78 2dj1 s ASP 76 CO 0.00 -0.95 1.60 0.00 0.52 0.00 0.00 175.17 176.34 2dj1 h ALA 77 N 8.62 1.07 -1.01 3.66 0.00 -1.79 0.84 119.26 130.64 2dj1 h ALA 77 Ca 0.06 0.30 0.24 0.00 0.00 0.00 0.00 54.91 55.52 2dj1 h ALA 77 Cb 1.04 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 2dj1 h ALA 77 CO 1.01 -0.51 0.65 1.79 0.00 0.00 0.00 179.25 182.18 2dj1 h THR 78 N 0.06 0.58 0.16 0.00 1.35 -1.91 -0.22 112.91 112.93 2dj1 h THR 78 Ca 0.54 -0.16 -0.32 0.00 -0.55 0.00 0.00 66.41 65.92 2dj1 h THR 78 Cb 1.07 0.08 0.01 0.00 -1.73 0.00 0.00 68.15 67.57 2dj1 h THR 78 CO -0.82 0.08 -1.57 -1.28 -0.25 0.00 0.00 175.52 171.68 2dj1 h SER 79 N 0.45 0.52 -3.46 5.36 0.87 0.25 -3.43 113.55 114.11 2dj1 h SER 79 Ca 0.57 -0.70 -0.72 0.00 -1.23 0.00 0.00 61.79 59.71 2dj1 h SER 79 Cb 1.36 -0.17 -0.24 0.00 -0.44 0.00 0.00 62.40 62.91 2dj1 h SER 79 CO -0.29 1.58 -0.43 0.00 -0.53 0.00 0.00 176.83 177.15 2dj1 s ALA 80 N -2.61 3.40 -0.14 6.23 0.00 -0.09 -4.95 121.76 123.60 2dj1 s ALA 80 Ca -0.11 -1.92 -0.17 0.00 0.00 0.00 0.00 51.96 49.76 2dj1 s ALA 80 Cb 0.06 -2.80 -0.15 0.00 0.00 0.00 0.00 23.12 20.23 2dj1 s ALA 80 CO 0.87 -1.56 0.34 0.77 0.00 0.00 0.00 175.76 176.19 2dj1 h SER 81 N 8.56 0.00 -0.09 0.00 0.02 -1.84 -3.14 113.55 117.06 2dj1 h SER 81 Ca -0.26 -0.51 0.02 0.00 -0.84 0.00 0.00 61.79 60.20 2dj1 h SER 81 Cb 1.10 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 2dj1 h SER 81 CO 0.76 0.92 -0.37 -0.03 -1.14 0.00 0.00 176.83 176.97 2dj1 h MET 82 N -1.00 -0.39 -0.66 3.45 1.85 -1.92 -1.47 114.93 114.78 2dj1 h MET 82 Ca -0.06 0.03 0.14 0.00 -0.61 0.00 0.00 59.70 59.19 2dj1 h MET 82 Cb 0.72 0.09 -0.10 0.00 0.43 0.00 0.00 31.60 32.74 2dj1 h MET 82 CO -0.04 -0.26 0.11 -0.07 -0.40 0.00 0.00 176.91 176.25 2dj1 h LEU 83 N -0.40 -0.08 -0.56 3.39 3.38 -1.97 -0.91 115.31 118.17 2dj1 h LEU 83 Ca 0.02 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2dj1 h LEU 83 Cb 0.47 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.32 2dj1 h LEU 83 CO -0.30 -0.05 -0.14 0.00 0.09 0.00 0.00 178.44 178.04 2dj1 h ALA 84 N 1.56 0.36 -0.30 1.53 0.00 -1.28 0.15 119.26 121.29 2dj1 h ALA 84 Ca 0.36 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 2dj1 h ALA 84 Cb 0.59 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2dj1 h ALA 84 CO -0.49 -0.44 0.01 1.03 0.00 0.00 0.00 179.25 179.36 2dj1 h SER 85 N -0.01 0.41 -0.19 0.00 0.87 -0.22 0.52 113.55 114.95 2dj1 h SER 85 Ca 0.27 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.81 2dj1 h SER 85 Cb 0.41 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.20 2dj1 h SER 85 CO -0.58 0.48 -0.34 0.50 -0.53 0.00 0.00 176.83 176.35 2dj1 h LYS 86 N 0.43 -0.37 -0.92 2.24 3.64 0.09 -0.79 116.57 120.89 2dj1 h LYS 86 Ca 0.10 0.03 -0.36 0.00 -1.27 0.00 0.00 60.65 59.15 2dj1 h LYS 86 Cb 0.28 0.08 -0.21 0.00 -0.41 0.00 0.00 32.23 31.97 2dj1 h LYS 86 CO 0.01 -0.25 0.45 1.19 -2.27 0.00 0.00 179.45 178.58 2dj1 n PHE 87 N -5.42 2.50 -3.93 1.91 3.01 -1.10 -4.91 117.46 109.53 2dj1 n PHE 87 Ca -0.02 -1.45 -0.27 0.00 1.01 0.00 0.00 57.45 56.72 2dj1 n PHE 87 Cb 0.34 -0.78 -0.08 0.00 -0.01 0.00 0.00 39.48 38.96 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 -0.62 0.23 -4.56 4.37 8.00 -0.30 -4.74 116.55 118.93 2dj1 n ASP 88 Ca 0.46 -1.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.56 2dj1 n ASP 88 Cb 1.43 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 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 -3.78 3.37 -0.29 2.53 1.01 0.13 -4.82 120.40 118.55 2dj1 s VAL 89 Ca 0.16 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.50 2dj1 s VAL 89 Cb -0.09 -3.80 0.46 0.00 0.00 0.00 0.00 36.38 32.95 2dj1 s VAL 89 CO 0.79 -0.70 1.18 -1.20 0.00 0.00 0.00 175.10 175.17 2dj1 n SER 90 N 12.23 4.59 0.00 3.32 7.64 -1.26 -4.86 113.62 135.28 2dj1 n SER 90 Ca 0.22 -3.58 0.00 0.00 1.01 0.00 0.00 58.87 56.52 2dj1 n SER 90 Cb 0.51 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2dj1 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj1 n GLY 91 N -0.69 0.46 3.52 0.23 0.00 -1.26 -5.18 105.19 102.26 2dj1 n GLY 91 Ca 0.40 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.65 0.69 1.61 1.51 -1.26 -4.23 117.35 113.01 2dj1 s TYR 92 Ca 0.00 1.21 -0.14 0.00 -1.01 0.00 0.00 57.07 57.13 2dj1 s TYR 92 Cb 0.00 0.37 0.01 0.00 -0.11 0.00 0.00 41.96 42.24 2dj1 s TYR 92 CO 0.00 -0.56 1.11 -1.25 -1.11 0.00 0.00 175.55 173.73 2dj1 s PRO 93 N -0.96 2.67 -0.12 -1.71 0.04 -1.26 -4.99 135.00 128.67 2dj1 s PRO 93 Ca -0.09 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 2dj1 s PRO 93 Cb -0.01 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.65 2dj1 s PRO 93 CO 0.08 -1.34 0.13 0.99 0.04 0.00 0.00 177.00 176.90 2dj1 s THR 94 N -2.47 -0.19 -0.09 1.26 2.01 -1.06 -5.03 115.64 110.07 2dj1 s THR 94 Ca 0.66 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.73 2dj1 s THR 94 Cb -0.20 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 2dj1 s THR 94 CO 0.45 -0.05 0.10 -0.63 -0.69 0.00 0.00 174.62 173.80 2dj1 s ILE 95 N 2.22 5.10 0.19 1.82 1.01 -1.26 -0.52 121.20 129.77 2dj1 s ILE 95 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 2dj1 s ILE 95 Cb -0.14 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2dj1 s ILE 95 CO -0.07 0.58 0.08 -0.54 0.00 0.00 0.00 174.94 174.99 2dj1 s LYS 96 N -1.10 1.18 -0.08 2.79 -0.14 0.47 -3.29 119.74 119.57 2dj1 s LYS 96 Ca 0.16 -1.60 -0.01 0.00 -1.36 0.00 0.00 55.97 53.15 2dj1 s LYS 96 Cb -0.12 0.05 0.03 0.00 -1.68 0.00 0.00 37.83 36.11 2dj1 s LYS 96 CO 0.05 -0.30 -0.02 0.42 -0.76 0.00 0.00 175.35 174.75 2dj1 s ILE 97 N -3.96 0.50 -0.52 2.17 1.01 -0.95 -1.32 121.20 118.13 2dj1 s ILE 97 Ca 0.33 0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 2dj1 s ILE 97 Cb 0.07 -0.62 0.05 0.00 0.01 0.00 0.00 42.46 41.97 2dj1 s ILE 97 CO 0.09 0.28 0.71 -0.22 0.00 0.00 0.00 174.94 175.80 2dj1 s LEU 98 N 1.85 4.74 -0.46 2.97 2.96 0.49 -1.53 118.68 129.70 2dj1 s LEU 98 Ca 0.04 -0.77 -0.13 0.00 -0.22 0.00 0.00 54.13 53.05 2dj1 s LEU 98 Cb -0.12 -2.55 0.08 0.00 0.50 0.00 0.00 46.19 44.10 2dj1 s LEU 98 CO -0.05 -0.99 0.35 -0.75 -1.32 0.00 0.00 176.35 173.59 2dj1 s LYS 99 N 2.99 2.82 -0.72 1.98 2.47 -0.03 -1.34 119.74 127.91 2dj1 s LYS 99 Ca 0.19 -1.43 -0.01 0.00 -1.56 0.00 0.00 55.97 53.16 2dj1 s LYS 99 Cb -0.17 -4.00 0.01 0.00 -1.46 0.00 0.00 37.83 32.20 2dj1 s LYS 99 CO 0.14 -1.02 0.04 1.63 0.16 0.00 0.00 175.35 176.30 2dj1 n LYS 100 N 5.09 -2.56 -0.16 4.03 5.02 0.54 0.98 118.16 131.10 2dj1 n LYS 100 Ca -0.11 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2dj1 n LYS 100 Cb 0.43 -4.95 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 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 -0.73 0.91 3.37 0.72 0.00 -1.26 -5.00 105.19 103.20 2dj1 n GLY 101 Ca -0.08 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.57 3.49 -0.22 1.61 2.00 0.28 -4.75 119.66 121.49 2dj1 s GLN 102 Ca 0.00 -0.57 -0.29 0.00 -2.00 0.00 0.00 55.36 52.50 2dj1 s GLN 102 Cb 0.00 -3.17 -0.00 0.00 0.80 0.00 0.00 33.01 30.63 2dj1 s GLN 102 CO 0.00 -0.21 1.21 0.00 -0.50 0.00 0.00 175.29 175.79 2dj1 s ALA 103 N 1.54 3.59 -0.15 1.58 0.00 -1.26 -0.85 121.76 126.22 2dj1 s ALA 103 Ca 0.06 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 2dj1 s ALA 103 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 2dj1 s ALA 103 CO 0.00 -1.30 -0.12 0.08 0.00 0.00 0.00 175.76 174.41 2dj1 s VAL 104 N 3.64 3.01 -0.14 0.00 1.01 -0.58 -4.99 120.40 122.35 2dj1 s VAL 104 Ca 0.52 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 2dj1 s VAL 104 Cb -0.18 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2dj1 s VAL 104 CO 0.15 0.51 0.91 1.51 0.00 0.00 0.00 175.10 178.18 2dj1 s ASP 105 N 0.58 7.10 -0.21 3.32 1.47 -1.26 -2.25 116.67 125.42 2dj1 s ASP 105 Ca -0.08 1.35 -0.18 0.00 1.18 0.00 0.00 52.55 54.82 2dj1 s ASP 105 Cb -0.16 -2.50 -0.03 0.00 -0.34 0.00 0.00 42.92 39.89 2dj1 s ASP 105 CO 0.03 -0.42 0.51 -0.47 0.68 0.00 0.00 175.17 175.50 2dj1 s TYR 106 N 2.05 3.35 -0.38 2.11 5.04 -1.21 -5.00 117.35 123.31 2dj1 s TYR 106 Ca 0.43 0.73 0.03 0.00 -2.44 0.00 0.00 57.07 55.81 2dj1 s TYR 106 Cb -0.17 -2.67 0.11 0.00 0.35 0.00 0.00 41.96 39.58 2dj1 s TYR 106 CO 0.15 -0.13 0.13 -0.51 -1.34 0.00 0.00 175.55 173.84 2dj1 s ASP 107 N 1.23 4.37 0.00 4.32 1.11 -1.26 -4.81 116.67 121.63 2dj1 s ASP 107 Ca 0.23 -2.28 0.00 0.00 0.18 0.00 0.00 52.55 50.68 2dj1 s ASP 107 Cb -0.15 -1.39 0.00 0.00 1.07 0.00 0.00 42.92 42.45 2dj1 s ASP 107 CO 0.09 -0.34 0.00 0.61 1.18 0.00 0.00 175.17 176.71 2dj1 n GLY 108 N 4.06 4.86 0.18 0.21 0.00 -1.26 -5.05 105.19 108.19 2dj1 n GLY 108 Ca 0.03 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.33 2dj1 n GLY 108 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dj1 n SER 109 N 0.00 2.46 -3.65 1.61 2.88 -1.26 -4.99 113.62 110.68 2dj1 n SER 109 Ca 0.00 -2.73 -0.21 0.00 -1.33 0.00 0.00 58.87 54.60 2dj1 n SER 109 Cb 0.00 -0.32 0.04 0.00 -0.75 0.00 0.00 64.21 63.19 2dj1 n SER 109 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dj1 n ARG 110 N -0.97 -4.84 -5.00 -1.46 1.74 -1.26 -4.99 116.66 99.88 2dj1 n ARG 110 Ca 0.12 0.65 -0.32 0.00 -0.77 0.00 0.00 57.85 57.53 2dj1 n ARG 110 Cb 0.55 -5.24 -0.15 0.00 -1.02 0.00 0.00 32.46 26.60 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 -3.61 2.60 0.49 0.55 -4.23 -1.26 -4.96 115.64 105.21 2dj1 s THR 111 Ca 0.04 -0.84 0.41 0.00 -1.18 0.00 0.00 61.69 60.11 2dj1 s THR 111 Cb -0.01 -2.03 0.61 0.00 1.34 0.00 0.00 72.50 72.41 2dj1 s THR 111 CO 0.80 0.55 1.54 1.67 -0.54 0.00 0.00 174.62 178.65 2dj1 n GLN 112 N 3.23 -0.02 0.09 3.99 7.27 -1.26 -0.31 117.38 130.37 2dj1 n GLN 112 Ca -0.18 1.16 -0.06 0.00 0.07 0.00 0.00 57.00 57.99 2dj1 n GLN 112 Cb 0.53 -2.46 -0.03 0.00 2.41 0.00 0.00 30.24 30.68 2dj1 n GLN 112 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2dj1 h GLU 113 N 0.00 -0.30 0.19 3.69 4.39 -1.98 -3.05 114.58 117.52 2dj1 h GLU 113 Ca 0.90 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.61 2dj1 h GLU 113 Cb 3.25 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 31.97 2dj1 h GLU 113 CO -0.25 -0.14 -0.16 0.93 -1.16 0.00 0.00 179.01 178.23 2dj1 h GLU 114 N -1.06 -0.33 -0.92 2.33 4.39 -1.07 0.41 114.58 118.33 2dj1 h GLU 114 Ca -0.03 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.85 2dj1 h GLU 114 Cb 0.30 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 28.87 2dj1 h GLU 114 CO 0.05 -0.22 -0.29 -0.89 -1.16 0.00 0.00 179.01 176.50 2dj1 n ILE 115 N -3.27 -0.44 -0.21 3.13 5.41 0.06 0.12 119.36 124.16 2dj1 n ILE 115 Ca -0.04 2.14 -0.08 0.00 1.00 0.00 0.00 62.75 65.77 2dj1 n ILE 115 Cb 0.15 -2.89 0.06 0.00 -0.71 0.00 0.00 39.64 36.25 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 -0.86 1.39 2.07 -1.40 -1.50 116.25 117.21 2dj1 h VAL 116 Ca 0.38 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.90 2dj1 h VAL 116 Cb 0.61 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 2dj1 h VAL 116 CO -0.93 0.39 0.53 0.00 0.02 0.00 0.00 177.57 177.58 2dj1 h ALA 117 N 1.08 1.19 0.21 1.67 0.00 0.55 -0.54 119.26 123.42 2dj1 h ALA 117 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2dj1 h ALA 117 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dj1 h ALA 117 CO 0.02 0.26 -0.10 -0.22 0.00 0.00 0.00 179.25 179.21 2dj1 h LYS 118 N 0.96 -0.27 -0.07 0.00 1.63 -0.80 -2.47 116.57 115.55 2dj1 h LYS 118 Ca 0.38 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.21 2dj1 h LYS 118 Cb 0.20 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 2dj1 h LYS 118 CO -0.18 0.09 -0.27 0.28 -3.45 0.00 0.00 179.45 175.92 2dj1 h VAL 119 N -0.94 0.00 -0.93 2.00 2.07 -1.16 0.28 116.25 117.58 2dj1 h VAL 119 Ca -0.03 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.69 2dj1 h VAL 119 Cb 0.48 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.17 2dj1 h VAL 119 CO 0.05 0.00 0.60 0.08 0.02 0.00 0.00 177.57 178.32 2dj1 h ARG 120 N -0.28 0.50 -0.47 1.57 0.11 -1.25 0.36 114.38 114.91 2dj1 h ARG 120 Ca 0.02 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 2dj1 h ARG 120 Cb 0.33 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.28 2dj1 h ARG 120 CO -0.22 0.33 0.10 1.49 0.10 0.00 0.00 179.97 181.77 2dj1 h GLU 121 N 0.51 0.77 -0.51 0.08 4.57 -0.65 -3.03 114.58 116.32 2dj1 h GLU 121 Ca 0.49 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 58.40 2dj1 h GLU 121 Cb 1.07 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 2dj1 h GLU 121 CO -0.22 0.77 -0.00 0.28 -1.18 0.00 0.00 179.01 178.65 2dj1 h VAL 122 N 0.64 1.26 -1.10 0.32 2.07 0.15 -2.87 116.25 116.73 2dj1 h VAL 122 Ca 0.15 -1.09 0.30 0.00 0.82 0.00 0.00 66.70 66.88 2dj1 h VAL 122 Cb 0.36 0.96 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 2dj1 h VAL 122 CO 0.01 0.38 0.71 0.77 0.02 0.00 0.00 177.57 179.46 2dj1 h SER 123 N 0.76 0.38 -3.55 0.57 4.64 -1.05 -3.42 113.55 111.89 2dj1 h SER 123 Ca 0.14 0.09 -0.56 0.00 -0.47 0.00 0.00 61.79 60.99 2dj1 h SER 123 Cb 0.52 0.03 0.12 0.00 -0.31 0.00 0.00 62.40 62.77 2dj1 h SER 123 CO 0.03 0.03 0.49 0.00 -0.87 0.00 0.00 176.83 176.50 2dj1 n GLN 124 N -4.62 1.91 0.21 4.77 1.13 -1.08 -4.90 117.38 114.80 2dj1 n GLN 124 Ca 0.27 0.68 0.08 0.00 -1.94 0.00 0.00 57.00 56.09 2dj1 n GLN 124 Cb 1.00 -2.38 0.45 0.00 0.11 0.00 0.00 30.24 29.42 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 2.05 0.00 -0.12 -1.09 0.13 -1.89 -3.10 132.00 127.98 2dj1 h PRO 125 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2dj1 h PRO 125 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2dj1 h PRO 125 CO 0.60 0.28 -0.57 0.22 -0.23 0.00 0.00 178.00 178.30 2dj1 h ASP 126 N 0.00 0.71 -2.87 1.44 3.58 -1.91 -3.45 116.42 113.91 2dj1 h ASP 126 Ca -0.00 -0.64 -0.56 0.00 0.42 0.00 0.00 57.03 56.25 2dj1 h ASP 126 Cb 0.71 -0.21 0.20 0.00 1.72 0.00 0.00 39.33 41.75 2dj1 h ASP 126 CO 0.04 1.23 -0.77 1.87 -2.88 0.00 0.00 179.24 178.73 2dj1 n TRP 127 N -4.16 -1.90 -3.90 0.28 -0.00 -1.17 -5.02 117.44 101.57 2dj1 n TRP 127 Ca -0.08 0.29 -0.11 0.00 -0.00 0.00 0.00 57.50 57.60 2dj1 n TRP 127 Cb 0.64 -1.79 -0.10 0.00 -0.00 0.00 0.00 31.31 30.06 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 -2.01 0.09 0.50 5.87 -4.23 -1.26 -5.00 115.64 109.61 2dj1 s THR 128 Ca 0.59 -0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 60.11 2dj1 s THR 128 Cb -0.32 -0.44 -0.07 0.00 1.34 0.00 0.00 72.50 73.01 2dj1 s THR 128 CO 0.64 -0.43 1.15 -2.16 -0.54 0.00 0.00 174.62 173.28 2dj1 s PRO 129 N -1.52 3.55 0.49 3.99 0.04 -1.26 -5.01 135.00 135.28 2dj1 s PRO 129 Ca -0.14 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.37 2dj1 s PRO 129 Cb -0.08 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 2dj1 s PRO 129 CO 0.01 -0.71 1.15 -1.25 0.04 0.00 0.00 177.00 176.24 2dj1 s PRO 130 N -3.01 3.62 0.30 0.56 0.04 -1.26 -5.05 135.00 130.20 2dj1 s PRO 130 Ca 0.68 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 2dj1 s PRO 130 Cb -0.26 -2.26 0.07 0.00 0.04 0.00 0.00 34.50 32.09 2dj1 s PRO 130 CO 0.30 -0.66 0.26 -0.35 0.04 0.00 0.00 177.00 176.60 2dj1 n PRO 131 N -0.78 -1.55 -3.80 0.56 -0.04 -1.26 -4.36 135.00 123.78 2dj1 n PRO 131 Ca 0.09 -0.42 -0.27 0.00 -0.04 0.00 0.00 63.50 62.86 2dj1 n PRO 131 Cb 0.49 -0.40 0.04 0.00 -0.04 0.00 0.00 33.50 33.59 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 -2.32 -5.70 -4.57 0.54 2.13 -1.26 -4.98 120.64 104.47 2dj1 n GLU 132 Ca 0.04 0.64 -0.32 0.00 0.66 0.00 0.00 57.16 58.18 2dj1 n GLU 132 Cb 0.14 -5.46 -0.11 0.00 0.27 0.00 0.00 31.44 26.28 2dj1 n GLU 132 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dj1 s VAL 133 N -3.41 3.39 0.04 6.31 0.11 -1.26 -5.10 120.40 120.48 2dj1 s VAL 133 Ca 0.45 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 58.37 2dj1 s VAL 133 Cb -0.22 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.15 2dj1 s VAL 133 CO 0.81 0.43 0.99 0.28 -3.33 0.00 0.00 175.10 174.28 2dj1 s THR 134 N -0.93 4.67 -0.16 5.04 -1.32 -1.26 -4.93 115.64 116.75 2dj1 s THR 134 Ca 0.15 2.01 -0.37 0.00 -1.21 0.00 0.00 61.69 62.27 2dj1 s THR 134 Cb -0.11 -4.29 -0.17 0.00 -1.51 0.00 0.00 72.50 66.42 2dj1 s THR 134 CO 0.06 0.21 1.10 -0.24 -2.21 0.00 0.00 174.62 173.53 2dj1 n SER 135 N 3.52 0.37 -3.42 8.08 2.88 -1.26 -4.91 113.62 118.87 2dj1 n SER 135 Ca 0.05 1.02 -0.27 0.00 -1.33 0.00 0.00 58.87 58.34 2dj1 n SER 135 Cb 0.50 -0.79 -0.10 0.00 -0.75 0.00 0.00 64.21 63.07 2dj1 n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj1 n GLY 136 N 2.08 2.43 3.60 0.46 0.00 -1.26 -5.13 105.19 107.37 2dj1 n GLY 136 Ca 0.21 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.26 -1.15 -0.99 1.61 0.04 -1.26 -4.78 135.00 128.20 2dj1 s PRO 137 Ca 0.32 -0.05 -0.09 0.00 0.04 0.00 0.00 61.00 61.23 2dj1 s PRO 137 Cb 0.05 -1.60 0.25 0.00 0.04 0.00 0.00 34.50 33.23 2dj1 s PRO 137 CO -0.19 -3.67 0.95 -1.12 0.04 0.00 0.00 177.00 173.02 2dj1 s SER 138 N -3.88 6.89 -0.31 6.66 0.01 -1.26 -4.99 113.70 116.81 2dj1 s SER 138 Ca 0.71 -3.39 0.02 0.00 1.31 0.00 0.00 55.95 54.60 2dj1 s SER 138 Cb -0.10 -2.14 0.08 0.00 0.21 0.00 0.00 66.02 64.06 2dj1 s SER 138 CO 0.56 -0.34 0.00 -0.44 0.41 0.00 0.00 173.24 173.44 2dj1 s SER 139 N 1.24 4.73 0.00 2.44 0.01 -1.26 -5.20 113.70 115.66 2dj1 s SER 139 Ca 0.27 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 55.79 2dj1 s SER 139 Cb -0.10 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.49 2dj1 s SER 139 CO -0.09 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.86