#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 7.36 0.31 1.61 1.04 -1.26 -5.02 113.70 117.74 2dj1 s SER 2 Ca 0.00 1.86 -0.19 0.00 0.48 0.00 0.00 55.95 58.09 2dj1 s SER 2 Cb 0.00 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.57 2dj1 s SER 2 CO 0.00 -0.20 0.78 -0.94 0.98 0.00 0.00 173.24 173.86 2dj1 s SER 3 N 0.36 -0.15 -0.36 7.02 1.04 -1.26 -5.11 113.70 115.24 2dj1 s SER 3 Ca 0.50 -0.79 -0.28 0.00 0.48 0.00 0.00 55.95 55.86 2dj1 s SER 3 Cb -0.25 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2dj1 s SER 3 CO 0.30 -1.43 1.82 -0.83 0.98 0.00 0.00 173.24 174.09 2dj1 s GLY 4 N -3.00 0.71 -0.05 7.32 0.00 -1.26 -4.97 107.32 106.08 2dj1 s GLY 4 Ca 0.13 0.17 0.03 0.00 0.00 0.00 0.00 44.72 45.05 2dj1 s GLY 4 CO 0.08 3.30 -0.12 -0.45 0.00 0.00 0.00 173.10 175.92 2dj1 s SER 5 N 6.42 1.65 0.38 1.64 0.15 -1.26 -5.14 113.70 117.54 2dj1 s SER 5 Ca 0.79 -0.27 -0.20 0.00 0.70 0.00 0.00 55.95 56.97 2dj1 s SER 5 Cb -0.21 -0.60 -0.10 0.00 -1.71 0.00 0.00 66.02 63.39 2dj1 s SER 5 CO 0.32 0.07 0.89 -0.44 1.20 0.00 0.00 173.24 175.28 2dj1 s SER 6 N 0.39 6.97 0.05 5.45 0.01 -1.26 -4.80 113.70 120.52 2dj1 s SER 6 Ca -0.09 1.61 0.00 0.00 1.31 0.00 0.00 55.95 58.78 2dj1 s SER 6 Cb -0.13 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2dj1 s SER 6 CO 0.02 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2dj1 n GLY 7 N -0.32 -4.28 0.02 3.44 0.00 -1.26 -4.93 105.19 97.87 2dj1 n GLY 7 Ca 0.05 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.78 2dj1 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dj1 n ASP 8 N 0.82 0.63 -2.69 1.61 -0.08 -1.26 -4.29 116.55 111.30 2dj1 n ASP 8 Ca 0.00 -0.30 -0.35 0.00 -1.51 0.00 0.00 54.79 52.62 2dj1 n ASP 8 Cb 0.00 0.78 0.02 0.00 2.34 0.00 0.00 41.12 44.27 2dj1 n ASP 8 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2dj1 n ASP 9 N -1.86 7.27 -0.05 1.67 5.68 -1.26 -4.52 116.55 123.47 2dj1 n ASP 9 Ca 0.02 -3.65 -0.05 0.00 -0.50 0.00 0.00 54.79 50.61 2dj1 n ASP 9 Cb 0.41 -1.09 -0.02 0.00 -1.14 0.00 0.00 41.12 39.28 2dj1 n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2dj1 n ASP 10 N -0.23 1.25 -4.58 -1.12 2.03 -1.26 -4.78 116.55 107.86 2dj1 n ASP 10 Ca 0.53 0.21 -0.38 0.00 0.52 0.00 0.00 54.79 55.66 2dj1 n ASP 10 Cb 0.38 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.14 2dj1 n ASP 10 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2dj1 s LEU 11 N -6.89 3.58 0.41 -2.67 0.05 -1.26 -4.96 118.68 106.94 2dj1 s LEU 11 Ca -0.18 -2.06 -0.08 0.00 0.05 0.00 0.00 54.13 51.87 2dj1 s LEU 11 Cb 0.02 -2.58 -0.05 0.00 -2.05 0.00 0.00 46.19 41.53 2dj1 s LEU 11 CO 0.26 -1.75 0.74 -0.70 -0.55 0.00 0.00 176.35 174.36 2dj1 s GLU 12 N 4.99 3.68 -0.07 1.48 2.56 -1.26 -4.99 118.70 125.09 2dj1 s GLU 12 Ca 0.57 0.32 -0.04 0.00 0.00 0.00 0.00 54.97 55.82 2dj1 s GLU 12 Cb 0.02 -2.43 0.04 0.00 2.00 0.00 0.00 34.13 33.76 2dj1 s GLU 12 CO 0.07 -0.05 0.17 0.08 -0.56 0.00 0.00 175.26 174.96 2dj1 s VAL 13 N -2.44 -0.04 0.40 3.70 1.01 -1.26 -4.69 120.40 117.08 2dj1 s VAL 13 Ca 0.49 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.71 2dj1 s VAL 13 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2dj1 s VAL 13 CO 0.35 0.07 0.39 -0.54 0.00 0.00 0.00 175.10 175.37 2dj1 s LYS 14 N 1.11 2.61 0.02 2.72 1.02 -1.26 -4.93 119.74 121.02 2dj1 s LYS 14 Ca -0.08 -1.46 -0.03 0.00 0.02 0.00 0.00 55.97 54.42 2dj1 s LYS 14 Cb -0.10 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 2dj1 s LYS 14 CO -0.06 -0.16 0.03 -1.83 -0.92 0.00 0.00 175.35 172.41 2dj1 s GLU 15 N -4.14 0.39 -0.24 1.68 -1.05 -1.26 0.90 118.70 114.98 2dj1 s GLU 15 Ca 0.48 -0.56 -0.03 0.00 -0.15 0.00 0.00 54.97 54.71 2dj1 s GLU 15 Cb -0.05 0.15 0.08 0.00 -0.44 0.00 0.00 34.13 33.87 2dj1 s GLU 15 CO 0.28 -0.08 0.07 -1.21 0.95 0.00 0.00 175.26 175.28 2dj1 s GLU 16 N -1.54 0.56 -1.66 -4.83 0.41 0.14 -4.81 118.70 106.96 2dj1 s GLU 16 Ca -0.15 -0.60 0.00 0.00 -0.41 0.00 0.00 54.97 53.81 2dj1 s GLU 16 Cb -0.08 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 2dj1 s GLU 16 CO -0.00 -0.80 0.00 0.09 -0.49 0.00 0.00 175.26 174.05 2dj1 n ASN 17 N 5.04 -5.15 0.00 -0.19 3.02 -1.26 -0.67 115.26 116.05 2dj1 n ASN 17 Ca -0.06 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2dj1 n ASN 17 Cb 0.45 -4.39 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 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 -0.78 2.48 3.56 7.41 0.00 -1.26 -4.86 105.19 111.74 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 -2.53 4.48 0.77 1.61 1.01 0.15 -4.68 120.40 121.21 2dj1 s VAL 19 Ca 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 2dj1 s VAL 19 Cb 0.00 -4.43 0.06 0.00 0.00 0.00 0.00 36.38 32.01 2dj1 s VAL 19 CO 0.00 -0.86 1.15 0.26 0.00 0.00 0.00 175.10 175.65 2dj1 s TRP 20 N 3.72 2.17 -0.44 5.22 0.52 0.17 0.25 118.94 130.55 2dj1 s TRP 20 Ca 0.35 1.63 -0.03 0.00 0.02 0.00 0.00 56.10 58.07 2dj1 s TRP 20 Cb -0.11 -3.29 0.12 0.00 -1.15 0.00 0.00 33.47 29.04 2dj1 s TRP 20 CO 0.25 -2.30 0.24 0.08 0.02 0.00 0.00 176.95 175.24 2dj1 s VAL 21 N -2.41 3.36 0.28 4.03 1.01 0.26 0.56 120.40 127.48 2dj1 s VAL 21 Ca 0.68 -2.17 0.01 0.00 0.00 0.00 0.00 61.98 60.50 2dj1 s VAL 21 Cb -0.23 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2dj1 s VAL 21 CO 0.50 -0.72 0.45 -0.76 0.00 0.00 0.00 175.10 174.57 2dj1 s LEU 22 N 0.99 4.16 0.03 3.92 1.43 -0.61 -4.08 118.68 124.50 2dj1 s LEU 22 Ca 0.09 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 2dj1 s LEU 22 Cb -0.23 -3.15 0.10 0.00 0.03 0.00 0.00 46.19 42.95 2dj1 s LEU 22 CO -0.04 -0.17 1.13 0.54 0.23 0.00 0.00 176.35 178.04 2dj1 s ASN 23 N -3.79 -0.14 0.63 2.29 4.22 -1.26 -4.39 114.94 112.50 2dj1 s ASN 23 Ca 0.38 -0.21 0.19 0.00 -2.14 0.00 0.00 52.86 51.08 2dj1 s ASN 23 Cb -0.10 0.30 0.83 0.00 1.28 0.00 0.00 41.25 43.56 2dj1 s ASN 23 CO 0.32 -0.54 1.40 -2.24 -2.04 0.00 0.00 177.10 174.01 2dj1 h ASP 24 N 2.00 0.00 0.09 3.54 3.04 -1.97 1.51 116.42 124.63 2dj1 h ASP 24 Ca -0.25 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.32 2dj1 h ASP 24 Cb 1.21 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 39.52 2dj1 h ASP 24 CO 0.27 0.00 -0.90 1.23 -2.04 0.00 0.00 179.24 177.80 2dj1 h GLY 25 N 0.00 0.51 -3.89 7.15 0.00 -1.97 -3.38 103.07 101.49 2dj1 h GLY 25 Ca 0.19 -1.07 -0.33 0.00 0.00 0.00 0.00 47.33 46.13 2dj1 h GLY 25 CO -0.00 0.94 -0.91 1.16 0.00 0.00 0.00 176.54 177.73 2dj1 n ASN 26 N -4.04 2.88 -0.04 0.19 6.94 0.22 -4.80 115.26 116.61 2dj1 n ASN 26 Ca -0.13 -2.97 -0.01 0.00 -0.02 0.00 0.00 54.58 51.46 2dj1 n ASN 26 Cb 0.84 -0.41 -0.00 0.00 -2.36 0.00 0.00 39.78 37.84 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 2.04 0.00 -0.23 -2.53 3.57 0.16 -3.15 116.94 116.79 2dj1 h PHE 27 Ca 0.07 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.39 2dj1 h PHE 27 Cb 1.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.16 2dj1 h PHE 27 CO 0.64 0.00 -0.58 0.22 -2.23 0.00 0.00 178.31 176.36 2dj1 h ASP 28 N -0.77 0.91 -0.48 0.41 1.82 -1.86 -2.61 116.42 113.84 2dj1 h ASP 28 Ca 0.00 -0.57 0.06 0.00 -0.39 0.00 0.00 57.03 56.13 2dj1 h ASP 28 Cb 0.07 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 39.77 2dj1 h ASP 28 CO 0.00 1.31 0.20 0.78 -1.61 0.00 0.00 179.24 179.92 2dj1 h ASN 29 N 0.54 0.24 0.55 2.28 4.21 -1.87 0.48 115.58 122.02 2dj1 h ASN 29 Ca -0.01 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.52 2dj1 h ASN 29 Cb 1.20 0.01 0.01 0.00 -1.12 0.00 0.00 38.32 38.41 2dj1 h ASN 29 CO 0.13 0.17 -0.27 0.15 -1.29 0.00 0.00 177.43 176.32 2dj1 h PHE 30 N 0.40 -0.69 0.00 1.19 3.57 -1.57 -2.60 116.94 117.24 2dj1 h PHE 30 Ca 0.22 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2dj1 h PHE 30 Cb 0.19 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2dj1 h PHE 30 CO -0.14 -0.36 0.00 1.33 -2.23 0.00 0.00 178.31 176.91 2dj1 n VAL 31 N -5.33 0.18 0.08 1.41 0.24 -0.98 -3.22 118.33 110.71 2dj1 n VAL 31 Ca -0.12 0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.10 2dj1 n VAL 31 Cb 0.33 -0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 31.81 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 2.82 -0.12 0.01 2.33 0.00 0.39 -3.19 119.26 121.51 2dj1 h ALA 32 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2dj1 h ALA 32 Cb 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2dj1 h ALA 32 CO 0.00 -0.54 -1.43 -0.44 0.00 0.00 0.00 179.25 176.85 2dj1 h ASP 33 N -0.18 0.04 -3.45 0.00 5.19 -1.69 -3.45 116.42 112.87 2dj1 h ASP 33 Ca -0.01 -0.07 -0.54 0.00 -0.62 0.00 0.00 57.03 55.79 2dj1 h ASP 33 Cb 0.15 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 2dj1 h ASP 33 CO 0.02 1.06 0.22 -0.54 -3.12 0.00 0.00 179.24 176.88 2dj1 s LYS 34 N -2.64 4.54 -0.09 3.56 1.02 -1.20 -4.99 119.74 119.94 2dj1 s LYS 34 Ca -0.03 1.18 -0.11 0.00 0.02 0.00 0.00 55.97 57.03 2dj1 s LYS 34 Cb 0.09 -3.39 -0.08 0.00 -0.52 0.00 0.00 37.83 33.93 2dj1 s LYS 34 CO 0.82 0.20 0.36 0.38 -0.92 0.00 0.00 175.35 176.20 2dj1 h ASP 35 N 5.92 -0.10 -3.61 2.83 2.03 -1.88 -3.43 116.42 118.17 2dj1 h ASP 35 Ca -0.43 -0.23 -0.68 0.00 -0.73 0.00 0.00 57.03 54.97 2dj1 h ASP 35 Cb 1.21 0.03 -0.29 0.00 -0.83 0.00 0.00 39.33 39.44 2dj1 h ASP 35 CO 0.72 0.48 -0.66 -0.89 -1.03 0.00 0.00 179.24 177.86 2dj1 s THR 36 N -2.23 3.51 -0.12 1.15 2.01 -1.26 -1.80 115.64 116.91 2dj1 s THR 36 Ca -0.06 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.01 2dj1 s THR 36 Cb -0.00 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.66 2dj1 s THR 36 CO 0.23 0.05 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.35 2dj1 s VAL 37 N 1.40 1.65 0.02 3.82 1.01 -0.94 -4.50 120.40 122.86 2dj1 s VAL 37 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2dj1 s VAL 37 Cb -0.18 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2dj1 s VAL 37 CO 0.00 0.47 0.92 -0.22 0.00 0.00 0.00 175.10 176.28 2dj1 s LEU 38 N 0.93 4.39 -0.01 3.92 2.96 -1.19 -1.54 118.68 128.15 2dj1 s LEU 38 Ca -0.07 1.61 0.07 0.00 -0.22 0.00 0.00 54.13 55.53 2dj1 s LEU 38 Cb -0.15 -3.49 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 2dj1 s LEU 38 CO -0.02 -0.18 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.83 2dj1 s LEU 39 N 0.72 2.19 -0.18 -0.68 1.43 -0.32 -2.47 118.68 119.37 2dj1 s LEU 39 Ca 0.48 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2dj1 s LEU 39 Cb -0.21 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 44.70 2dj1 s LEU 39 CO 0.27 0.31 0.04 -0.70 0.23 0.00 0.00 176.35 176.50 2dj1 s GLU 40 N -0.75 0.51 0.14 1.70 2.12 -1.03 -0.32 118.70 121.06 2dj1 s GLU 40 Ca 0.11 -0.29 -0.21 0.00 0.36 0.00 0.00 54.97 54.93 2dj1 s GLU 40 Cb -0.10 -1.93 -0.07 0.00 0.26 0.00 0.00 34.13 32.28 2dj1 s GLU 40 CO -0.00 -0.61 0.66 -0.06 -0.54 0.00 0.00 175.26 174.71 2dj1 s PHE 41 N 1.93 3.80 0.28 5.30 0.40 0.00 -0.70 117.98 129.00 2dj1 s PHE 41 Ca 0.00 1.40 -0.05 0.00 -0.60 0.00 0.00 56.93 57.68 2dj1 s PHE 41 Cb -0.16 -2.60 -0.01 0.00 0.51 0.00 0.00 43.02 40.76 2dj1 s PHE 41 CO -0.08 0.51 0.39 1.52 0.70 0.00 0.00 175.22 178.26 2dj1 s TYR 42 N -1.22 0.92 -0.01 0.36 -0.85 -0.71 -2.00 117.35 113.84 2dj1 s TYR 42 Ca 0.34 -1.17 0.03 0.00 -0.52 0.00 0.00 57.07 55.75 2dj1 s TYR 42 Cb -0.20 -0.15 -0.01 0.00 0.38 0.00 0.00 41.96 41.99 2dj1 s TYR 42 CO 0.22 -0.97 -0.08 0.00 -1.52 0.00 0.00 175.55 173.20 2dj1 s ALA 43 N -3.61 0.70 0.32 9.51 0.00 -1.26 -3.16 121.76 124.26 2dj1 s ALA 43 Ca 0.31 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 52.02 2dj1 s ALA 43 Cb 0.01 -0.18 0.52 0.00 0.00 0.00 0.00 23.12 23.47 2dj1 s ALA 43 CO 0.16 0.17 1.71 -1.00 0.00 0.00 0.00 175.76 176.80 2dj1 h PRO 44 N 5.96 0.04 -0.01 0.00 0.13 -2.00 -2.65 132.00 133.48 2dj1 h PRO 44 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2dj1 h PRO 44 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dj1 h PRO 44 CO 0.50 0.52 -0.12 -2.67 -0.23 0.00 0.00 178.00 175.99 2dj1 n TRP 45 N -3.96 0.00 -3.29 1.56 4.27 -1.26 -4.75 117.44 110.01 2dj1 n TRP 45 Ca -0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 2dj1 n TRP 45 Cb 0.51 -0.11 -0.08 0.00 -1.36 0.00 0.00 31.31 30.26 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 9.14 0.69 1.12 0.00 0.00 -1.85 -2.85 103.07 109.31 2dj1 h GLY 47 Ca -0.27 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.39 2dj1 h GLY 47 CO 0.80 0.61 0.44 0.45 0.00 0.00 0.00 176.54 178.84 2dj1 h HIS 48 N 0.52 0.00 0.00 5.60 3.86 -1.94 0.45 115.15 123.64 2dj1 h HIS 48 Ca 0.05 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.03 2dj1 h HIS 48 Cb 0.89 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.36 2dj1 h HIS 48 CO 0.04 0.00 -0.97 0.00 0.86 0.00 0.00 177.93 177.86 2dj1 h LYS 50 N 0.25 0.93 -0.01 0.00 1.57 -0.24 0.59 116.57 119.66 2dj1 h LYS 50 Ca -0.09 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 2dj1 h LYS 50 Cb 1.61 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 2dj1 h LYS 50 CO 0.17 0.61 -0.50 1.96 -0.57 0.00 0.00 179.45 181.13 2dj1 h GLN 51 N 0.95 0.01 0.00 3.15 4.20 -1.61 -2.95 115.11 118.88 2dj1 h GLN 51 Ca 0.50 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 59.04 2dj1 h GLN 51 Cb 0.55 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2dj1 h GLN 51 CO -0.27 0.51 -0.98 0.35 -0.67 0.00 0.00 178.83 177.76 2dj1 h PHE 52 N 0.01 0.00 -0.74 2.96 3.57 -0.90 -3.35 116.94 118.49 2dj1 h PHE 52 Ca -0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2dj1 h PHE 52 Cb 0.88 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.53 2dj1 h PHE 52 CO 0.00 0.67 -0.44 0.00 -2.23 0.00 0.00 178.31 176.32 2dj1 n ALA 53 N -2.33 -0.48 0.08 2.41 0.00 0.18 0.18 120.51 120.56 2dj1 n ALA 53 Ca -0.03 0.63 -0.03 0.00 0.00 0.00 0.00 53.44 54.01 2dj1 n ALA 53 Cb 0.84 -0.06 0.19 0.00 0.00 0.00 0.00 19.45 20.42 2dj1 n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dj1 h PRO 54 N 0.00 0.26 -0.35 0.00 0.13 -1.74 -2.49 132.00 127.82 2dj1 h PRO 54 Ca 0.12 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 2dj1 h PRO 54 Cb 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 2dj1 h PRO 54 CO -0.70 0.67 0.07 1.49 -0.23 0.00 0.00 178.00 179.30 2dj1 h GLU 55 N 0.21 0.51 0.01 0.86 4.57 -0.39 -2.72 114.58 117.63 2dj1 h GLU 55 Ca 0.01 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2dj1 h GLU 55 Cb 0.89 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2dj1 h GLU 55 CO 0.07 0.48 -0.00 -0.92 -1.18 0.00 0.00 179.01 177.46 2dj1 h TYR 56 N 0.50 -0.01 -0.78 0.92 3.20 -0.15 -3.33 116.97 117.33 2dj1 h TYR 56 Ca 0.12 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.13 2dj1 h TYR 56 Cb 0.21 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.35 2dj1 h TYR 56 CO 0.01 0.80 -0.30 0.93 -1.64 0.00 0.00 178.16 177.96 2dj1 h GLU 57 N -0.96 -0.06 -0.68 1.82 5.08 -1.39 0.15 114.58 118.54 2dj1 h GLU 57 Ca -0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2dj1 h GLU 57 Cb 0.81 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.94 2dj1 h GLU 57 CO 0.00 -0.04 -0.17 0.87 -1.00 0.00 0.00 179.01 178.68 2dj1 h LYS 58 N -0.06 0.00 -0.77 2.33 1.57 -1.62 0.15 116.57 118.17 2dj1 h LYS 58 Ca 0.32 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.20 2dj1 h LYS 58 Cb 0.58 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 2dj1 h LYS 58 CO -0.82 0.00 0.42 0.82 -0.57 0.00 0.00 179.45 179.30 2dj1 h ILE 59 N 0.00 0.89 -0.69 1.86 2.04 -0.83 -2.46 117.51 118.32 2dj1 h ILE 59 Ca 0.33 -0.24 0.11 0.00 1.00 0.00 0.00 64.86 66.05 2dj1 h ILE 59 Cb 0.50 0.12 -0.12 0.00 -0.74 0.00 0.00 36.82 36.57 2dj1 h ILE 59 CO -0.70 0.13 -0.38 0.00 0.00 0.00 0.00 178.15 177.20 2dj1 h ALA 60 N 1.44 -0.10 -0.82 1.87 0.00 -0.24 0.37 119.26 121.78 2dj1 h ALA 60 Ca 0.37 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.46 2dj1 h ALA 60 Cb 0.36 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2dj1 h ALA 60 CO -0.25 -0.72 0.54 1.03 0.00 0.00 0.00 179.25 179.85 2dj1 h SER 61 N -0.14 0.95 0.24 0.00 0.87 -1.38 0.35 113.55 114.43 2dj1 h SER 61 Ca 0.24 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2dj1 h SER 61 Cb 0.56 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2dj1 h SER 61 CO -0.76 0.69 -0.11 0.74 -0.53 0.00 0.00 176.83 176.86 2dj1 h THR 62 N 1.12 0.00 -0.02 2.23 2.02 -0.22 -3.11 112.91 114.93 2dj1 h THR 62 Ca 0.30 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.41 2dj1 h THR 62 Cb -0.13 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.28 2dj1 h THR 62 CO -0.06 0.00 0.03 -0.07 0.37 0.00 0.00 175.52 175.78 2dj1 h LEU 63 N -0.39 0.00 -0.44 2.58 3.38 -0.55 -2.19 115.31 117.70 2dj1 h LEU 63 Ca -0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.00 2dj1 h LEU 63 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2dj1 h LEU 63 CO 0.05 0.00 0.12 0.50 0.09 0.00 0.00 178.44 179.21 2dj1 h LYS 64 N 0.00 0.26 0.00 1.13 3.64 -0.23 -2.31 116.57 119.07 2dj1 h LYS 64 Ca 0.01 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 2dj1 h LYS 64 Cb 0.07 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2dj1 h LYS 64 CO -0.00 0.18 -1.11 0.22 -2.27 0.00 0.00 179.45 176.46 2dj1 h ASP 65 N 0.27 0.00 -2.04 4.20 1.82 -1.37 -3.38 116.42 115.92 2dj1 h ASP 65 Ca 0.21 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.29 2dj1 h ASP 65 Cb 0.24 0.00 0.22 0.00 0.68 0.00 0.00 39.33 40.47 2dj1 h ASP 65 CO -0.25 0.83 -1.59 -3.20 -1.61 0.00 0.00 179.24 173.42 2dj1 n ASN 66 N -3.19 -5.12 -4.19 2.28 5.15 -0.88 -4.66 115.26 104.65 2dj1 n ASN 66 Ca -0.05 0.35 -0.33 0.00 -0.60 0.00 0.00 54.58 53.95 2dj1 n ASN 66 Cb 0.91 -0.80 -0.16 0.00 -0.53 0.00 0.00 39.78 39.20 2dj1 n ASN 66 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2dj1 s ASP 67 N -1.02 3.44 0.98 1.20 1.11 -1.26 -1.52 116.67 119.60 2dj1 s ASP 67 Ca 0.46 -0.56 -0.12 0.00 0.18 0.00 0.00 52.55 52.51 2dj1 s ASP 67 Cb -0.29 -1.54 0.18 0.00 1.07 0.00 0.00 42.92 42.34 2dj1 s ASP 67 CO 0.77 0.03 1.09 -2.16 1.18 0.00 0.00 175.17 176.08 2dj1 s PRO 68 N 1.14 0.57 -0.65 8.23 0.04 -1.26 -4.93 135.00 138.13 2dj1 s PRO 68 Ca 0.01 0.58 -0.26 0.00 0.04 0.00 0.00 61.00 61.36 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 -0.07 -2.65 1.88 -1.25 0.04 0.00 0.00 177.00 174.95 2dj1 s PRO 69 N -4.96 2.61 0.27 0.56 0.04 -0.58 -4.96 135.00 127.99 2dj1 s PRO 69 Ca 0.65 0.50 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 2dj1 s PRO 69 Cb -0.18 -4.48 -0.09 0.00 0.04 0.00 0.00 34.50 29.79 2dj1 s PRO 69 CO 0.57 -2.83 0.79 0.42 0.04 0.00 0.00 177.00 176.00 2dj1 s ILE 70 N 9.25 4.48 -0.26 0.56 1.01 -0.99 -5.00 121.20 130.25 2dj1 s ILE 70 Ca 0.68 1.38 -0.04 0.00 0.00 0.00 0.00 60.65 62.68 2dj1 s ILE 70 Cb -0.12 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.52 2dj1 s ILE 70 CO 0.18 0.11 -0.01 0.00 0.00 0.00 0.00 174.94 175.21 2dj1 s ALA 71 N -1.65 2.84 0.07 9.38 0.00 -1.26 -3.65 121.76 127.49 2dj1 s ALA 71 Ca 0.47 -1.40 -0.25 0.00 0.00 0.00 0.00 51.96 50.78 2dj1 s ALA 71 Cb -0.16 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.07 2dj1 s ALA 71 CO 0.21 -0.77 0.78 0.08 0.00 0.00 0.00 175.76 176.05 2dj1 s VAL 72 N 1.41 4.65 0.20 0.00 1.01 -1.26 -3.18 120.40 123.22 2dj1 s VAL 72 Ca 0.02 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 2dj1 s VAL 72 Cb -0.16 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2dj1 s VAL 72 CO -0.02 0.39 0.12 0.00 0.00 0.00 0.00 175.10 175.59 2dj1 s ALA 73 N -0.28 1.19 0.11 5.51 0.00 -1.03 -0.66 121.76 126.59 2dj1 s ALA 73 Ca 0.38 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.70 2dj1 s ALA 73 Cb -0.21 1.29 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 2dj1 s ALA 73 CO 0.24 -0.56 -0.12 -1.59 0.00 0.00 0.00 175.76 173.73 2dj1 s LYS 74 N -4.13 0.93 -0.03 0.00 -2.85 0.19 -2.48 119.74 111.37 2dj1 s LYS 74 Ca 0.37 -1.20 -0.02 0.00 -1.00 0.00 0.00 55.97 54.13 2dj1 s LYS 74 Cb 0.07 -0.71 0.02 0.00 -2.06 0.00 0.00 37.83 35.16 2dj1 s LYS 74 CO 0.11 0.12 0.07 0.42 0.10 0.00 0.00 175.35 176.17 2dj1 s ILE 75 N -2.30 -0.03 -0.85 3.79 1.01 0.13 -1.58 121.20 121.36 2dj1 s ILE 75 Ca 0.07 0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 2dj1 s ILE 75 Cb -0.04 -0.12 0.13 0.00 0.01 0.00 0.00 42.46 42.44 2dj1 s ILE 75 CO 0.01 0.05 1.03 -1.81 0.00 0.00 0.00 174.94 174.22 2dj1 s ASP 76 N 0.66 6.54 0.42 3.58 1.01 -1.26 -1.74 116.67 125.87 2dj1 s ASP 76 Ca -0.05 -1.91 0.29 0.00 0.71 0.00 0.00 52.55 51.59 2dj1 s ASP 76 Cb -0.07 -2.37 1.44 0.00 1.01 0.00 0.00 42.92 42.92 2dj1 s ASP 76 CO -0.02 -1.07 1.55 0.00 0.21 0.00 0.00 175.17 175.83 2dj1 n ALA 77 N 6.44 1.25 -0.27 5.23 0.00 -1.19 0.17 120.51 132.13 2dj1 n ALA 77 Ca 0.16 0.91 -0.05 0.00 0.00 0.00 0.00 53.44 54.46 2dj1 n ALA 77 Cb 0.48 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.95 2dj1 n ALA 77 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dj1 h THR 78 N 0.00 1.22 0.04 0.00 1.35 -1.90 -2.78 112.91 110.84 2dj1 h THR 78 Ca 0.86 -0.50 -0.23 0.00 -0.55 0.00 0.00 66.41 65.98 2dj1 h THR 78 Cb 2.64 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 2dj1 h THR 78 CO -0.55 0.23 -1.13 -1.28 -0.25 0.00 0.00 175.52 172.55 2dj1 h SER 79 N 1.03 0.12 -3.74 5.36 0.87 0.13 -3.41 113.55 113.91 2dj1 h SER 79 Ca 0.27 -0.13 -0.71 0.00 -1.23 0.00 0.00 61.79 59.98 2dj1 h SER 79 Cb -0.01 -0.04 -0.33 0.00 -0.44 0.00 0.00 62.40 61.58 2dj1 h SER 79 CO -0.05 1.11 -0.38 0.00 -0.53 0.00 0.00 176.83 176.98 2dj1 s ALA 80 N -2.69 3.47 -0.04 6.23 0.00 0.44 -4.92 121.76 124.25 2dj1 s ALA 80 Ca -0.01 -2.91 -0.22 0.00 0.00 0.00 0.00 51.96 48.82 2dj1 s ALA 80 Cb 0.09 -2.71 -0.28 0.00 0.00 0.00 0.00 23.12 20.22 2dj1 s ALA 80 CO 0.84 -1.99 0.96 0.77 0.00 0.00 0.00 175.76 176.33 2dj1 h SER 81 N 7.70 0.40 0.41 0.00 0.02 -1.79 -2.92 113.55 117.37 2dj1 h SER 81 Ca -0.08 -0.88 -0.02 0.00 -0.84 0.00 0.00 61.79 59.97 2dj1 h SER 81 Cb 1.01 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2dj1 h SER 81 CO 0.75 1.25 -0.32 -0.03 -1.14 0.00 0.00 176.83 177.33 2dj1 h MET 82 N -0.38 -0.68 -0.88 3.45 1.85 -1.91 -1.44 114.93 114.94 2dj1 h MET 82 Ca -0.09 0.05 0.17 0.00 -0.61 0.00 0.00 59.70 59.21 2dj1 h MET 82 Cb 1.40 0.16 -0.10 0.00 0.43 0.00 0.00 31.60 33.48 2dj1 h MET 82 CO 0.11 -0.46 0.44 -0.07 -0.40 0.00 0.00 176.91 176.54 2dj1 h LEU 83 N -0.71 0.50 -0.24 3.39 3.38 -1.97 -0.92 115.31 118.74 2dj1 h LEU 83 Ca -0.05 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2dj1 h LEU 83 Cb 0.59 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 2dj1 h LEU 83 CO 0.01 0.16 -0.09 0.00 0.09 0.00 0.00 178.44 178.62 2dj1 h ALA 84 N 1.61 0.12 0.00 1.53 0.00 -1.28 -0.50 119.26 120.74 2dj1 h ALA 84 Ca 0.50 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 2dj1 h ALA 84 Cb 0.79 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2dj1 h ALA 84 CO -0.41 -0.50 -0.14 0.77 0.00 0.00 0.00 179.25 178.97 2dj1 h SER 85 N -0.04 0.00 0.43 0.00 0.02 -0.11 0.69 113.55 114.54 2dj1 h SER 85 Ca 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2dj1 h SER 85 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2dj1 h SER 85 CO -0.27 0.14 -0.21 0.50 -1.14 0.00 0.00 176.83 175.85 2dj1 h LYS 86 N 0.00 -0.56 -0.86 3.45 3.64 -0.08 -2.81 116.57 119.35 2dj1 h LYS 86 Ca -0.00 0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.21 2dj1 h LYS 86 Cb 0.35 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 32.18 2dj1 h LYS 86 CO 0.02 -0.33 0.26 1.19 -2.27 0.00 0.00 179.45 178.32 2dj1 n PHE 87 N -5.31 1.89 -4.34 1.91 3.01 -1.02 -4.90 117.46 108.70 2dj1 n PHE 87 Ca -0.11 -1.04 -0.35 0.00 1.01 0.00 0.00 57.45 56.96 2dj1 n PHE 87 Cb 0.26 -0.59 -0.09 0.00 -0.01 0.00 0.00 39.48 39.05 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 -0.17 -0.17 -4.56 4.37 9.92 -0.85 -4.74 116.55 120.34 2dj1 n ASP 88 Ca 0.33 -1.23 -0.28 0.00 -0.53 0.00 0.00 54.79 53.07 2dj1 n ASP 88 Cb 1.16 -1.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.05 2dj1 n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dj1 s VAL 89 N -3.87 3.47 -0.30 2.53 1.01 0.18 -4.74 120.40 118.68 2dj1 s VAL 89 Ca 0.33 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.06 2dj1 s VAL 89 Cb -0.19 -4.06 0.55 0.00 0.00 0.00 0.00 36.38 32.68 2dj1 s VAL 89 CO 0.98 -1.00 1.55 -1.54 0.00 0.00 0.00 175.10 175.09 2dj1 n SER 90 N 13.60 3.04 -3.64 3.32 3.41 -1.26 -4.87 113.62 127.22 2dj1 n SER 90 Ca 0.38 -3.59 0.01 0.00 -0.26 0.00 0.00 58.87 55.41 2dj1 n SER 90 Cb 0.48 -0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2dj1 n SER 90 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dj1 s GLY 91 N -2.16 -0.37 -0.00 5.00 0.00 -1.26 -5.19 107.32 103.34 2dj1 s GLY 91 Ca 0.47 0.59 -0.29 0.00 0.00 0.00 0.00 44.72 45.50 2dj1 s GLY 91 CO 0.04 0.61 0.71 -0.19 0.00 0.00 0.00 173.10 174.27 2dj1 s TYR 92 N -2.42 -0.57 0.49 1.90 1.51 -1.26 -4.18 117.35 112.80 2dj1 s TYR 92 Ca 0.15 0.79 -0.22 0.00 -1.01 0.00 0.00 57.07 56.79 2dj1 s TYR 92 Cb 0.04 0.46 -0.07 0.00 -0.11 0.00 0.00 41.96 42.29 2dj1 s TYR 92 CO -0.03 -0.64 1.15 -1.25 -1.11 0.00 0.00 175.55 173.67 2dj1 s PRO 93 N -2.03 3.63 -0.15 -1.71 0.04 -1.26 -4.91 135.00 128.61 2dj1 s PRO 93 Ca -0.06 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2dj1 s PRO 93 Cb -0.00 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.29 2dj1 s PRO 93 CO 0.01 -0.65 -0.04 0.99 0.04 0.00 0.00 177.00 177.35 2dj1 s THR 94 N -1.62 0.98 -0.23 1.26 2.01 -0.85 -5.02 115.64 112.18 2dj1 s THR 94 Ca 0.66 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 2dj1 s THR 94 Cb -0.27 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 2dj1 s THR 94 CO 0.32 0.16 0.14 -0.63 -0.69 0.00 0.00 174.62 173.92 2dj1 s ILE 95 N 1.70 5.25 0.24 1.82 1.01 -1.26 -0.82 121.20 129.14 2dj1 s ILE 95 Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.83 2dj1 s ILE 95 Cb -0.15 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2dj1 s ILE 95 CO -0.08 0.37 0.04 -0.54 0.00 0.00 0.00 174.94 174.73 2dj1 s LYS 96 N 0.93 1.37 0.06 2.79 -0.14 0.56 -3.96 119.74 121.35 2dj1 s LYS 96 Ca 0.07 -1.72 0.06 0.00 -1.36 0.00 0.00 55.97 53.02 2dj1 s LYS 96 Cb -0.13 -0.49 -0.03 0.00 -1.68 0.00 0.00 37.83 35.50 2dj1 s LYS 96 CO 0.03 -0.18 -0.17 0.42 -0.76 0.00 0.00 175.35 174.70 2dj1 s ILE 97 N -3.54 1.36 -0.14 2.17 1.01 -1.22 -1.18 121.20 119.66 2dj1 s ILE 97 Ca 0.32 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2dj1 s ILE 97 Cb 0.07 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.31 2dj1 s ILE 97 CO 0.11 -0.00 -0.17 -0.22 0.00 0.00 0.00 174.94 174.65 2dj1 s LEU 98 N -1.41 2.40 -0.36 2.97 2.96 -0.59 -1.10 118.68 123.56 2dj1 s LEU 98 Ca 0.03 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 2dj1 s LEU 98 Cb -0.09 -1.53 0.11 0.00 0.50 0.00 0.00 46.19 45.18 2dj1 s LEU 98 CO 0.02 0.11 0.11 -0.75 -1.32 0.00 0.00 176.35 174.52 2dj1 s LYS 99 N 0.66 1.32 -1.04 1.98 2.47 0.11 -2.22 119.74 123.01 2dj1 s LYS 99 Ca -0.09 -1.77 -0.05 0.00 -1.56 0.00 0.00 55.97 52.50 2dj1 s LYS 99 Cb -0.16 -2.82 0.04 0.00 -1.46 0.00 0.00 37.83 33.43 2dj1 s LYS 99 CO 0.02 -0.99 0.25 1.63 0.16 0.00 0.00 175.35 176.42 2dj1 n LYS 100 N 4.20 -2.85 -0.04 4.03 4.01 -0.74 0.76 118.16 127.53 2dj1 n LYS 100 Ca 0.03 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 2dj1 n LYS 100 Cb 0.40 -5.08 0.00 0.00 -0.51 0.00 0.00 35.03 29.84 2dj1 n LYS 100 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2dj1 n GLY 101 N -0.95 0.76 3.44 0.72 0.00 -1.26 -4.86 105.19 103.04 2dj1 n GLY 101 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.96 3.53 -0.13 1.61 2.00 0.23 -4.38 119.66 121.55 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 -3.39 -0.01 0.00 0.80 0.00 0.00 33.01 30.41 2dj1 s GLN 102 CO 0.00 -0.27 1.04 0.00 -0.50 0.00 0.00 175.29 175.57 2dj1 s ALA 103 N 1.60 3.50 -0.58 1.58 0.00 -1.26 0.04 121.76 126.64 2dj1 s ALA 103 Ca 0.06 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 2dj1 s ALA 103 Cb -0.16 -3.48 0.15 0.00 0.00 0.00 0.00 23.12 19.63 2dj1 s ALA 103 CO 0.04 -0.76 0.41 0.08 0.00 0.00 0.00 175.76 175.53 2dj1 s VAL 104 N 2.39 3.76 -0.01 0.00 1.01 -0.26 -4.99 120.40 122.31 2dj1 s VAL 104 Ca 0.48 -2.68 -0.37 0.00 0.00 0.00 0.00 61.98 59.41 2dj1 s VAL 104 Cb -0.18 -3.47 -0.16 0.00 0.00 0.00 0.00 36.38 32.57 2dj1 s VAL 104 CO 0.15 -0.84 1.50 -0.90 0.00 0.00 0.00 175.10 175.00 2dj1 n ASP 105 N 3.82 2.08 -4.58 3.32 5.75 -1.26 -3.38 116.55 122.29 2dj1 n ASP 105 Ca 0.05 1.10 -0.42 0.00 -0.01 0.00 0.00 54.79 55.51 2dj1 n ASP 105 Cb 0.39 -1.21 -0.06 0.00 -1.03 0.00 0.00 41.12 39.21 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 1.48 3.16 -0.65 2.11 5.04 -1.25 -4.99 117.35 122.25 2dj1 s TYR 106 Ca 0.88 0.50 -0.02 0.00 -2.44 0.00 0.00 57.07 55.98 2dj1 s TYR 106 Cb -0.94 -3.17 0.17 0.00 0.35 0.00 0.00 41.96 38.37 2dj1 s TYR 106 CO 0.51 -0.61 0.47 0.34 -1.34 0.00 0.00 175.55 174.92 2dj1 s ASP 107 N 1.75 5.21 -0.10 4.32 2.15 -1.26 -4.95 116.67 123.79 2dj1 s ASP 107 Ca 0.27 -3.02 -0.32 0.00 0.43 0.00 0.00 52.55 49.91 2dj1 s ASP 107 Cb -0.14 -1.83 0.14 0.00 -0.30 0.00 0.00 42.92 40.78 2dj1 s ASP 107 CO 0.14 -0.32 1.43 -0.83 -0.17 0.00 0.00 175.17 175.42 2dj1 s GLY 108 N 0.41 -0.44 0.10 2.66 0.00 -1.26 -5.13 107.32 103.65 2dj1 s GLY 108 Ca 0.18 0.79 -0.31 0.00 0.00 0.00 0.00 44.72 45.38 2dj1 s GLY 108 CO -0.04 1.81 1.58 -0.56 0.00 0.00 0.00 173.10 175.88 2dj1 s SER 109 N -3.23 6.64 -1.05 1.64 0.01 -1.26 -4.87 113.70 111.58 2dj1 s SER 109 Ca 0.19 2.48 -0.22 0.00 1.31 0.00 0.00 55.95 59.71 2dj1 s SER 109 Cb 0.06 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.61 2dj1 s SER 109 CO -0.06 -0.83 1.92 -2.11 0.41 0.00 0.00 173.24 172.57 2dj1 n ARG 110 N 4.90 1.65 -4.40 12.44 1.85 -1.26 -3.94 116.66 127.91 2dj1 n ARG 110 Ca 0.15 -2.29 -0.21 0.00 -1.00 0.00 0.00 57.85 54.50 2dj1 n ARG 110 Cb 0.40 -3.43 -0.10 0.00 -1.05 0.00 0.00 32.46 28.28 2dj1 n ARG 110 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2dj1 s THR 111 N 8.52 2.05 0.54 8.89 -4.23 -1.26 -4.93 115.64 125.23 2dj1 s THR 111 Ca 0.64 -2.26 0.26 0.00 -1.18 0.00 0.00 61.69 59.14 2dj1 s THR 111 Cb 0.05 -2.13 0.32 0.00 1.34 0.00 0.00 72.50 72.08 2dj1 s THR 111 CO 0.13 -0.49 2.19 1.56 -0.54 0.00 0.00 174.62 177.47 2dj1 h GLN 112 N 2.51 0.00 0.08 3.99 4.20 -1.89 0.26 115.11 124.26 2dj1 h GLN 112 Ca -0.39 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.06 2dj1 h GLN 112 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2dj1 h GLN 112 CO 0.60 0.03 -1.32 1.05 -0.67 0.00 0.00 178.83 178.53 2dj1 h GLU 113 N 0.00 0.18 0.24 1.46 4.11 -1.95 -3.26 114.58 115.35 2dj1 h GLU 113 Ca -0.00 -0.31 -0.01 0.00 0.07 0.00 0.00 59.36 59.11 2dj1 h GLU 113 Cb 0.08 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2dj1 h GLU 113 CO 0.00 1.15 -0.11 0.93 0.07 0.00 0.00 179.01 181.05 2dj1 h GLU 114 N -0.47 -0.31 -1.07 1.06 4.39 -1.73 -0.88 114.58 115.59 2dj1 h GLU 114 Ca -0.30 0.02 0.35 0.00 0.34 0.00 0.00 59.36 59.77 2dj1 h GLU 114 Cb 1.63 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 30.21 2dj1 h GLU 114 CO 0.00 -0.20 0.64 0.82 -1.16 0.00 0.00 179.01 179.11 2dj1 h ILE 115 N -0.58 0.27 -0.14 3.13 2.04 -0.61 0.62 117.51 122.24 2dj1 h ILE 115 Ca -0.03 -0.09 -0.21 0.00 1.00 0.00 0.00 64.86 65.52 2dj1 h ILE 115 Cb 0.24 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2dj1 h ILE 115 CO 0.05 0.05 -0.77 0.58 0.00 0.00 0.00 178.15 178.06 2dj1 h VAL 116 N 0.26 1.30 0.17 1.67 2.07 -1.61 -2.25 116.25 117.86 2dj1 h VAL 116 Ca 0.75 -2.01 0.02 0.00 0.82 0.00 0.00 66.70 66.27 2dj1 h VAL 116 Cb 1.88 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.62 2dj1 h VAL 116 CO -0.55 0.63 -0.35 0.00 0.02 0.00 0.00 177.57 177.33 2dj1 h ALA 117 N 0.65 -0.64 0.46 1.67 0.00 0.17 -0.22 119.26 121.36 2dj1 h ALA 117 Ca -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2dj1 h ALA 117 Cb 1.39 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2dj1 h ALA 117 CO 0.15 -0.91 -0.22 -0.22 0.00 0.00 0.00 179.25 178.05 2dj1 h LYS 118 N -0.61 -0.60 -0.65 0.00 1.63 -1.48 -1.65 116.57 113.22 2dj1 h LYS 118 Ca 0.02 0.04 0.19 0.00 -0.85 0.00 0.00 60.65 60.05 2dj1 h LYS 118 Cb 0.62 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 2dj1 h LYS 118 CO -0.17 -0.40 0.97 0.28 -3.45 0.00 0.00 179.45 176.68 2dj1 h VAL 119 N -0.81 0.07 0.18 2.00 2.07 -1.44 1.19 116.25 119.51 2dj1 h VAL 119 Ca -0.06 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.11 2dj1 h VAL 119 Cb 0.47 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2dj1 h VAL 119 CO 0.10 0.00 -1.73 0.03 0.02 0.00 0.00 177.57 175.99 2dj1 h ARG 120 N 0.00 0.37 -0.40 1.57 3.08 -0.83 -2.97 114.38 115.20 2dj1 h ARG 120 Ca 0.31 -0.63 -0.14 0.00 0.07 0.00 0.00 59.98 59.58 2dj1 h ARG 120 Cb 2.24 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 32.52 2dj1 h ARG 120 CO -0.00 1.28 -0.29 1.05 -1.07 0.00 0.00 179.97 180.94 2dj1 h GLU 121 N 0.10 0.91 -0.02 0.04 4.11 0.23 -3.02 114.58 116.93 2dj1 h GLU 121 Ca -0.33 -0.44 -0.12 0.00 0.07 0.00 0.00 59.36 58.53 2dj1 h GLU 121 Cb 2.09 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.32 2dj1 h GLU 121 CO 0.17 1.10 -0.56 0.28 0.07 0.00 0.00 179.01 180.07 2dj1 h VAL 122 N 0.73 1.39 -0.09 -1.06 2.07 -1.12 -2.95 116.25 115.22 2dj1 h VAL 122 Ca 0.08 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.67 2dj1 h VAL 122 Cb 0.88 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2dj1 h VAL 122 CO 0.08 0.55 -0.09 0.77 0.02 0.00 0.00 177.57 178.89 2dj1 h SER 123 N 0.05 0.13 -3.95 0.57 4.64 -1.40 -3.44 113.55 110.15 2dj1 h SER 123 Ca -0.00 -0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.76 2dj1 h SER 123 Cb 1.00 -0.03 0.11 0.00 -0.31 0.00 0.00 62.40 63.16 2dj1 h SER 123 CO 0.08 0.24 0.78 -1.10 -0.87 0.00 0.00 176.83 175.96 2dj1 s GLN 124 N -4.82 4.08 0.40 4.77 -1.52 -1.11 -4.82 119.66 116.64 2dj1 s GLN 124 Ca -0.05 2.58 0.19 0.00 -1.95 0.00 0.00 55.36 56.13 2dj1 s GLN 124 Cb 0.16 -2.95 0.84 0.00 -0.22 0.00 0.00 33.01 30.84 2dj1 s GLN 124 CO 0.71 -0.56 1.82 -1.00 -0.25 0.00 0.00 175.29 176.01 2dj1 h PRO 125 N 2.95 0.00 0.22 2.91 0.13 -1.88 -3.10 132.00 133.23 2dj1 h PRO 125 Ca -0.51 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.30 2dj1 h PRO 125 Cb 1.24 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.40 2dj1 h PRO 125 CO 0.64 0.32 -1.43 -0.44 -0.23 0.00 0.00 178.00 176.86 2dj1 h ASP 126 N 0.00 0.73 -2.70 1.44 3.32 -1.92 -3.46 116.42 113.82 2dj1 h ASP 126 Ca -0.00 -0.79 -0.56 0.00 0.02 0.00 0.00 57.03 55.69 2dj1 h ASP 126 Cb 0.74 -0.24 0.20 0.00 0.22 0.00 0.00 39.33 40.25 2dj1 h ASP 126 CO 0.04 1.62 -0.91 1.87 -1.72 0.00 0.00 179.24 180.15 2dj1 n TRP 127 N -3.66 -2.31 -4.04 4.55 -0.00 -1.17 -5.01 117.44 105.79 2dj1 n TRP 127 Ca -0.15 0.27 -0.12 0.00 -0.00 0.00 0.00 57.50 57.50 2dj1 n TRP 127 Cb 1.09 -1.74 -0.12 0.00 -0.00 0.00 0.00 31.31 30.53 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 -2.00 0.39 0.65 5.87 -4.23 -1.26 -4.99 115.64 110.07 2dj1 s THR 128 Ca 0.57 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 60.04 2dj1 s THR 128 Cb -0.33 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.04 2dj1 s THR 128 CO 0.66 -0.33 1.11 -2.16 -0.54 0.00 0.00 174.62 173.36 2dj1 s PRO 129 N -1.30 2.84 0.56 3.99 0.04 -1.26 -5.01 135.00 134.86 2dj1 s PRO 129 Ca -0.10 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.17 2dj1 s PRO 129 Cb -0.09 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2dj1 s PRO 129 CO -0.00 -1.22 1.13 -1.25 0.04 0.00 0.00 177.00 175.70 2dj1 s PRO 130 N -4.02 3.28 0.00 0.56 0.04 -1.26 -4.91 135.00 128.69 2dj1 s PRO 130 Ca 0.67 1.59 0.13 0.00 0.04 0.00 0.00 61.00 63.43 2dj1 s PRO 130 Cb -0.21 -2.00 0.76 0.00 0.04 0.00 0.00 34.50 33.10 2dj1 s PRO 130 CO 0.40 -0.90 1.19 -0.35 0.04 0.00 0.00 177.00 177.38 2dj1 n PRO 131 N -1.44 0.49 -1.61 0.56 -0.04 -1.26 -4.59 135.00 127.10 2dj1 n PRO 131 Ca 0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 2dj1 n PRO 131 Cb 0.51 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 2dj1 n PRO 131 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dj1 n GLU 132 N -0.91 0.75 -3.89 0.54 0.00 -1.26 -4.89 120.64 110.98 2dj1 n GLU 132 Ca 0.10 -1.93 -0.36 0.00 0.00 0.00 0.00 57.16 54.97 2dj1 n GLU 132 Cb 0.04 -3.64 -0.08 0.00 0.00 0.00 0.00 31.44 27.76 2dj1 n GLU 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dj1 s VAL 133 N 13.09 5.22 -0.03 6.31 0.11 -1.26 -5.10 120.40 138.74 2dj1 s VAL 133 Ca 0.74 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.87 2dj1 s VAL 133 Cb 0.00 -3.32 0.01 0.00 -1.53 0.00 0.00 36.38 31.54 2dj1 s VAL 133 CO 0.18 0.52 0.08 -0.89 -3.33 0.00 0.00 175.10 171.66 2dj1 s THR 134 N -0.21 0.02 0.04 5.04 2.01 -1.26 -5.11 115.64 116.16 2dj1 s THR 134 Ca 0.10 -0.14 -0.32 0.00 0.31 0.00 0.00 61.69 61.64 2dj1 s THR 134 Cb -0.12 -0.17 -0.16 0.00 0.01 0.00 0.00 72.50 72.06 2dj1 s THR 134 CO 0.01 -0.08 0.80 -1.54 -0.69 0.00 0.00 174.62 173.12 2dj1 n SER 135 N 2.77 -0.26 0.00 3.53 3.41 -1.26 -4.86 113.62 116.95 2dj1 n SER 135 Ca -0.14 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2dj1 n SER 135 Cb 0.59 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2dj1 n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj1 n GLY 136 N 1.38 0.84 3.61 5.00 0.00 -1.26 -5.10 105.19 109.65 2dj1 n GLY 136 Ca 0.17 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 3.49 -0.13 1.61 0.04 -1.26 -4.97 135.00 131.77 2dj1 s PRO 137 Ca 0.00 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 2dj1 s PRO 137 Cb 0.00 -4.13 0.05 0.00 0.04 0.00 0.00 34.50 30.47 2dj1 s PRO 137 CO 0.00 -1.67 0.09 -1.12 0.04 0.00 0.00 177.00 174.34 2dj1 s SER 138 N 5.24 1.88 0.00 6.66 0.01 -1.26 -4.98 113.70 121.26 2dj1 s SER 138 Ca 0.74 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2dj1 s SER 138 Cb -0.21 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2dj1 s SER 138 CO 0.33 -0.32 0.48 -1.54 0.41 0.00 0.00 173.24 172.60 2dj1 n SER 139 N 5.29 0.95 -0.21 2.44 3.41 -1.26 -5.23 113.62 119.01 2dj1 n SER 139 Ca -0.06 -1.10 0.15 0.00 -0.26 0.00 0.00 58.87 57.61 2dj1 n SER 139 Cb 0.49 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.21 2dj1 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49