#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj1 n SER 2 N 0.00 -5.41 -4.24 1.61 2.88 -1.26 -5.01 113.62 102.20 2dj1 n SER 2 Ca 0.00 -0.49 -0.32 0.00 -1.33 0.00 0.00 58.87 56.73 2dj1 n SER 2 Cb 0.00 -4.56 -0.17 0.00 -0.75 0.00 0.00 64.21 58.73 2dj1 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dj1 s SER 3 N -3.41 3.12 0.00 -3.46 1.04 -1.26 -4.79 113.70 104.94 2dj1 s SER 3 Ca 0.46 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2dj1 s SER 3 Cb -0.20 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.66 2dj1 s SER 3 CO 0.65 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.67 2dj1 n GLY 4 N 3.36 0.98 3.45 7.32 0.00 -1.26 -5.06 105.19 113.97 2dj1 n GLY 4 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.71 6.94 -0.12 1.61 1.04 -1.26 -5.00 113.70 115.21 2dj1 s SER 5 Ca 0.00 -2.74 -0.22 0.00 0.48 0.00 0.00 55.95 53.47 2dj1 s SER 5 Cb 0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2dj1 s SER 5 CO 0.00 -0.81 0.65 -0.44 0.98 0.00 0.00 173.24 173.62 2dj1 s SER 6 N 2.96 6.85 0.20 7.02 0.01 -1.26 -4.82 113.70 124.66 2dj1 s SER 6 Ca 0.38 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2dj1 s SER 6 Cb -0.04 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2dj1 s SER 6 CO -0.04 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2dj1 n GLY 7 N 3.33 -4.42 3.90 3.44 0.00 -1.26 -4.92 105.19 105.26 2dj1 n GLY 7 Ca -0.02 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.31 6.48 -1.58 1.61 -4.77 -1.26 -4.30 116.67 111.54 2dj1 s ASP 8 Ca 0.00 0.76 -0.05 0.00 -3.30 0.00 0.00 52.55 49.97 2dj1 s ASP 8 Cb 0.00 -2.16 0.05 0.00 -1.09 0.00 0.00 42.92 39.72 2dj1 s ASP 8 CO 0.00 -0.18 0.12 0.47 0.70 0.00 0.00 175.17 176.28 2dj1 n ASP 9 N -0.79 0.36 -0.01 2.11 8.00 -1.26 -4.84 116.55 120.12 2dj1 n ASP 9 Ca -0.01 -1.24 -0.01 0.00 0.71 0.00 0.00 54.79 54.24 2dj1 n ASP 9 Cb 0.54 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.12 40.09 2dj1 n ASP 9 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dj1 n ASP 10 N -2.71 0.26 -4.50 -2.24 -0.08 -1.26 -4.88 116.55 101.14 2dj1 n ASP 10 Ca -0.23 0.04 -0.42 0.00 -1.51 0.00 0.00 54.79 52.67 2dj1 n ASP 10 Cb 0.63 -0.44 -0.03 0.00 2.34 0.00 0.00 41.12 43.62 2dj1 n ASP 10 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2dj1 s LEU 11 N -5.40 3.94 0.18 -2.67 2.34 -1.26 -5.01 118.68 110.80 2dj1 s LEU 11 Ca -0.03 -0.97 0.04 0.00 0.06 0.00 0.00 54.13 53.23 2dj1 s LEU 11 Cb 0.00 -2.48 -0.03 0.00 -0.56 0.00 0.00 46.19 43.12 2dj1 s LEU 11 CO 0.05 -1.55 0.29 -0.70 -1.06 0.00 0.00 176.35 173.38 2dj1 s GLU 12 N 4.59 3.37 -0.25 1.48 2.12 -1.26 -5.10 118.70 123.65 2dj1 s GLU 12 Ca 0.30 -0.69 -0.02 0.00 0.36 0.00 0.00 54.97 54.92 2dj1 s GLU 12 Cb -0.11 -2.90 0.14 0.00 0.26 0.00 0.00 34.13 31.52 2dj1 s GLU 12 CO 0.08 0.49 0.39 0.08 -0.54 0.00 0.00 175.26 175.75 2dj1 s VAL 13 N -1.83 -0.61 0.66 3.70 1.01 -1.26 -4.84 120.40 117.22 2dj1 s VAL 13 Ca 0.34 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2dj1 s VAL 13 Cb -0.10 -0.85 0.16 0.00 0.00 0.00 0.00 36.38 35.59 2dj1 s VAL 13 CO 0.28 -0.15 0.55 0.29 0.00 0.00 0.00 175.10 176.07 2dj1 n LYS 14 N 5.36 -2.34 -3.61 2.72 4.76 -1.26 -4.77 118.16 119.02 2dj1 n LYS 14 Ca -0.03 -0.88 -0.13 0.00 -2.87 0.00 0.00 58.31 54.40 2dj1 n LYS 14 Cb 0.50 -0.87 -0.07 0.00 -1.84 0.00 0.00 35.03 32.75 2dj1 n LYS 14 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2dj1 s GLU 15 N -4.25 0.78 -0.22 1.97 -1.05 -1.26 -1.71 118.70 112.95 2dj1 s GLU 15 Ca 0.36 0.76 -0.03 0.00 -0.15 0.00 0.00 54.97 55.92 2dj1 s GLU 15 Cb -0.04 0.38 0.07 0.00 -0.44 0.00 0.00 34.13 34.10 2dj1 s GLU 15 CO 0.28 -0.13 0.06 -1.21 0.95 0.00 0.00 175.26 175.21 2dj1 s GLU 16 N 0.05 0.60 -1.47 -4.83 0.41 0.10 -4.82 118.70 108.75 2dj1 s GLU 16 Ca -0.01 -0.54 -0.08 0.00 -0.41 0.00 0.00 54.97 53.93 2dj1 s GLU 16 Cb -0.04 -1.99 0.02 0.00 -1.78 0.00 0.00 34.13 30.34 2dj1 s GLU 16 CO 0.01 -0.74 0.86 0.09 -0.49 0.00 0.00 175.26 174.98 2dj1 n ASN 17 N 5.04 -5.96 0.00 -0.19 3.02 -1.26 -0.97 115.26 114.94 2dj1 n ASN 17 Ca -0.07 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2dj1 n ASN 17 Cb 0.46 -4.76 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 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 -1.71 1.15 3.46 7.41 0.00 -1.26 -4.67 105.19 109.58 2dj1 n GLY 18 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.72 4.88 0.43 1.61 1.01 -0.14 -4.46 120.40 121.00 2dj1 s VAL 19 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 2dj1 s VAL 19 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 2dj1 s VAL 19 CO 0.00 -0.74 1.19 0.26 0.00 0.00 0.00 175.10 175.81 2dj1 s TRP 20 N 2.64 2.93 -0.56 5.22 0.52 0.33 0.02 118.94 130.04 2dj1 s TRP 20 Ca 0.16 1.52 -0.13 0.00 0.02 0.00 0.00 56.10 57.67 2dj1 s TRP 20 Cb -0.18 -3.44 0.14 0.00 -1.15 0.00 0.00 33.47 28.84 2dj1 s TRP 20 CO 0.13 -1.55 0.49 0.08 0.02 0.00 0.00 176.95 176.13 2dj1 s VAL 21 N -1.44 4.91 0.42 4.03 1.01 -0.69 0.07 120.40 128.71 2dj1 s VAL 21 Ca 0.60 -1.78 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 2dj1 s VAL 21 Cb -0.31 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2dj1 s VAL 21 CO 0.39 -0.87 0.67 -0.76 0.00 0.00 0.00 175.10 174.53 2dj1 s LEU 22 N 1.26 3.77 0.24 3.92 1.43 -1.00 -4.10 118.68 124.20 2dj1 s LEU 22 Ca 0.06 0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 53.57 2dj1 s LEU 22 Cb -0.26 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2dj1 s LEU 22 CO -0.00 -0.51 0.63 0.54 0.23 0.00 0.00 176.35 177.24 2dj1 s ASN 23 N -4.11 -0.27 0.21 2.29 4.22 -1.26 -4.56 114.94 111.46 2dj1 s ASN 23 Ca 0.45 -0.57 0.11 0.00 -2.14 0.00 0.00 52.86 50.71 2dj1 s ASN 23 Cb -0.10 0.66 0.62 0.00 1.28 0.00 0.00 41.25 43.71 2dj1 s ASN 23 CO 0.40 -1.21 1.29 -0.90 -2.04 0.00 0.00 177.10 174.64 2dj1 n ASP 24 N -0.41 0.30 0.02 3.54 5.75 -1.26 0.23 116.55 124.71 2dj1 n ASP 24 Ca -0.06 0.58 0.03 0.00 -0.01 0.00 0.00 54.79 55.32 2dj1 n ASP 24 Cb 0.61 -0.59 -0.10 0.00 -1.03 0.00 0.00 41.12 40.01 2dj1 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dj1 n GLY 25 N -1.33 -1.17 0.15 6.12 0.00 -1.26 -4.36 105.19 103.34 2dj1 n GLY 25 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.78 2dj1 n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dj1 n ASN 26 N -2.69 1.18 0.24 1.61 0.23 0.67 -4.76 115.26 111.74 2dj1 n ASN 26 Ca -0.10 -2.13 -0.10 0.00 -0.53 0.00 0.00 54.58 51.72 2dj1 n ASN 26 Cb 0.78 -0.18 -0.05 0.00 -2.08 0.00 0.00 39.78 38.25 2dj1 n ASN 26 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2dj1 h PHE 27 N 0.00 -0.60 -0.18 -2.53 3.57 0.27 -2.17 116.94 115.31 2dj1 h PHE 27 Ca 0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2dj1 h PHE 27 Cb 0.99 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2dj1 h PHE 27 CO 0.03 -0.37 -0.02 0.38 -2.23 0.00 0.00 178.31 176.10 2dj1 h ASP 28 N -0.93 0.32 -0.66 0.41 3.04 -1.86 -2.65 116.42 114.08 2dj1 h ASP 28 Ca -0.07 -0.33 0.14 0.00 -3.24 0.00 0.00 57.03 53.53 2dj1 h ASP 28 Cb 0.50 -0.09 -0.10 0.00 -1.04 0.00 0.00 39.33 38.60 2dj1 h ASP 28 CO 0.11 0.58 0.10 0.78 -2.04 0.00 0.00 179.24 178.77 2dj1 h ASN 29 N 0.06 -0.09 0.63 4.15 4.21 -1.86 1.01 115.58 123.70 2dj1 h ASN 29 Ca 0.05 0.14 -0.03 0.00 1.21 0.00 0.00 56.30 57.67 2dj1 h ASN 29 Cb 0.42 0.21 0.01 0.00 -1.12 0.00 0.00 38.32 37.84 2dj1 h ASN 29 CO 0.01 -0.05 -0.30 0.15 -1.29 0.00 0.00 177.43 175.95 2dj1 h PHE 30 N 0.21 -0.79 0.00 1.19 3.57 -1.32 -2.54 116.94 117.26 2dj1 h PHE 30 Ca 0.36 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2dj1 h PHE 30 Cb 0.59 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2dj1 h PHE 30 CO -0.29 -0.49 0.00 1.33 -2.23 0.00 0.00 178.31 176.62 2dj1 n VAL 31 N -4.43 1.20 0.08 1.41 0.24 -1.01 -2.97 118.33 112.85 2dj1 n VAL 31 Ca -0.11 0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 62.38 2dj1 n VAL 31 Cb 0.34 -1.19 -0.05 0.00 -1.47 0.00 0.00 33.84 31.46 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 2.27 -0.38 0.00 2.33 0.00 0.15 -3.09 119.26 120.54 2dj1 h ALA 32 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2dj1 h ALA 32 Cb 0.08 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2dj1 h ALA 32 CO 0.00 -0.77 -1.54 -3.47 0.00 0.00 0.00 179.25 173.47 2dj1 n ASP 33 N -5.37 0.80 -4.77 0.00 -0.08 -1.17 -4.89 116.55 101.07 2dj1 n ASP 33 Ca -0.06 0.36 -0.40 0.00 -1.51 0.00 0.00 54.79 53.19 2dj1 n ASP 33 Cb 0.28 0.19 -0.06 0.00 2.34 0.00 0.00 41.12 43.87 2dj1 n ASP 33 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2dj1 s LYS 34 N -2.84 4.68 -0.16 -0.67 1.02 -1.16 -5.00 119.74 115.60 2dj1 s LYS 34 Ca -0.04 1.28 -0.13 0.00 0.02 0.00 0.00 55.97 57.11 2dj1 s LYS 34 Cb 0.08 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 34.06 2dj1 s LYS 34 CO 0.82 0.55 -0.10 -0.25 -0.92 0.00 0.00 175.35 175.45 2dj1 n ASP 35 N 1.54 1.83 -4.43 2.83 8.00 -1.26 -4.65 116.55 120.41 2dj1 n ASP 35 Ca -0.04 0.56 -0.38 0.00 0.71 0.00 0.00 54.79 55.64 2dj1 n ASP 35 Cb 0.48 -0.89 -0.12 0.00 -0.02 0.00 0.00 41.12 40.57 2dj1 n ASP 35 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dj1 s THR 36 N -2.31 4.49 -0.02 -3.53 2.01 -1.26 -0.32 115.64 114.70 2dj1 s THR 36 Ca -0.19 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2dj1 s THR 36 Cb 0.03 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.29 2dj1 s THR 36 CO 0.33 0.10 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.67 2dj1 s VAL 37 N 1.60 0.12 0.20 3.82 1.01 -0.67 -4.45 120.40 122.04 2dj1 s VAL 37 Ca 0.05 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 2dj1 s VAL 37 Cb -0.17 -0.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 2dj1 s VAL 37 CO 0.05 0.09 0.51 -0.22 0.00 0.00 0.00 175.10 175.54 2dj1 s LEU 38 N 0.60 4.20 -0.02 3.92 2.96 -1.20 -0.29 118.68 128.85 2dj1 s LEU 38 Ca -0.06 0.86 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 2dj1 s LEU 38 Cb -0.08 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.06 2dj1 s LEU 38 CO -0.01 -0.03 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.20 2dj1 s LEU 39 N -2.71 1.51 -0.14 -0.68 1.43 -0.60 -3.19 118.68 114.29 2dj1 s LEU 39 Ca 0.45 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2dj1 s LEU 39 Cb -0.12 -0.29 0.03 0.00 0.03 0.00 0.00 46.19 45.85 2dj1 s LEU 39 CO 0.22 -0.03 -0.09 -0.70 0.23 0.00 0.00 176.35 175.97 2dj1 s GLU 40 N 0.59 1.74 -0.00 1.70 2.12 -1.03 0.10 118.70 123.92 2dj1 s GLU 40 Ca -0.07 -0.44 -0.21 0.00 0.36 0.00 0.00 54.97 54.62 2dj1 s GLU 40 Cb -0.10 -1.88 -0.05 0.00 0.26 0.00 0.00 34.13 32.35 2dj1 s GLU 40 CO -0.01 -0.31 0.60 -0.06 -0.54 0.00 0.00 175.26 174.94 2dj1 s PHE 41 N 1.61 3.68 0.30 5.30 0.40 0.15 -0.97 117.98 128.45 2dj1 s PHE 41 Ca 0.03 1.21 0.04 0.00 -0.60 0.00 0.00 56.93 57.61 2dj1 s PHE 41 Cb -0.14 -2.62 -0.03 0.00 0.51 0.00 0.00 43.02 40.75 2dj1 s PHE 41 CO -0.09 0.35 0.27 1.52 0.70 0.00 0.00 175.22 177.97 2dj1 s TYR 42 N -0.17 1.50 0.00 0.36 -0.85 -0.95 -2.11 117.35 115.13 2dj1 s TYR 42 Ca 0.31 -1.53 0.00 0.00 -0.52 0.00 0.00 57.07 55.33 2dj1 s TYR 42 Cb -0.18 -0.58 -0.00 0.00 0.38 0.00 0.00 41.96 41.57 2dj1 s TYR 42 CO 0.17 -0.85 -0.01 0.00 -1.52 0.00 0.00 175.55 173.35 2dj1 s ALA 43 N -3.59 0.07 0.18 9.51 0.00 -1.26 -3.28 121.76 123.38 2dj1 s ALA 43 Ca 0.39 -0.10 0.28 0.00 0.00 0.00 0.00 51.96 52.52 2dj1 s ALA 43 Cb 0.03 0.01 1.18 0.00 0.00 0.00 0.00 23.12 24.34 2dj1 s ALA 43 CO 0.23 -0.01 1.93 -1.00 0.00 0.00 0.00 175.76 176.90 2dj1 h PRO 44 N 5.93 0.00 0.00 0.00 0.13 -2.01 -2.97 132.00 133.09 2dj1 h PRO 44 Ca -0.26 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.61 2dj1 h PRO 44 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2dj1 h PRO 44 CO 0.50 0.13 -1.62 0.11 -0.23 0.00 0.00 178.00 176.89 2dj1 h TRP 45 N 0.00 0.00 -0.95 1.56 5.08 -2.07 -3.43 115.95 116.14 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 0.59 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.67 2dj1 h TRP 45 CO 0.00 0.93 1.25 0.00 -1.28 0.00 0.00 178.44 179.35 2dj1 h GLY 47 N 14.64 0.00 -0.24 0.00 0.00 -1.83 -2.17 103.07 113.48 2dj1 h GLY 47 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.68 2dj1 h GLY 47 CO 1.35 0.00 0.12 0.84 0.00 0.00 0.00 176.54 178.85 2dj1 h HIS 48 N 0.00 0.17 -0.27 5.60 6.17 -1.93 0.62 115.15 125.51 2dj1 h HIS 48 Ca 0.06 0.05 0.08 0.00 0.71 0.00 0.00 60.37 61.27 2dj1 h HIS 48 Cb 0.67 0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.63 2dj1 h HIS 48 CO 0.00 -0.16 0.20 0.00 0.71 0.00 0.00 177.93 178.68 2dj1 h LYS 50 N 0.00 0.10 0.00 0.00 1.79 0.09 1.77 116.57 120.32 2dj1 h LYS 50 Ca 0.13 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 2dj1 h LYS 50 Cb 0.53 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2dj1 h LYS 50 CO -0.00 0.07 -0.23 1.96 -1.08 0.00 0.00 179.45 180.16 2dj1 h GLN 51 N 0.11 0.00 -0.02 3.15 4.20 -1.50 -2.76 115.11 118.28 2dj1 h GLN 51 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2dj1 h GLN 51 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2dj1 h GLN 51 CO -0.63 0.23 -0.03 0.34 -0.67 0.00 0.00 178.83 178.07 2dj1 n PHE 52 N -3.33 0.00 0.27 2.96 7.35 0.20 -4.31 117.46 120.61 2dj1 n PHE 52 Ca 0.01 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.59 2dj1 n PHE 52 Cb 0.47 -0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.24 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 4.54 -0.91 0.00 3.13 0.00 0.26 -1.20 119.26 125.08 2dj1 h ALA 53 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dj1 h ALA 53 Cb 0.81 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dj1 h ALA 53 CO 0.00 -0.86 0.00 -0.35 0.00 0.00 0.00 179.25 178.04 2dj1 n PRO 54 N -4.49 0.11 -0.01 0.00 -0.04 -1.26 -2.79 135.00 126.52 2dj1 n PRO 54 Ca -0.09 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 2dj1 n PRO 54 Cb 0.28 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 2dj1 n PRO 54 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dj1 n GLU 55 N -1.39 0.74 0.14 0.54 4.07 -1.18 -3.85 120.64 119.71 2dj1 n GLU 55 Ca 0.05 0.29 0.02 0.00 -0.06 0.00 0.00 57.16 57.47 2dj1 n GLU 55 Cb 0.14 -1.71 0.38 0.00 -0.06 0.00 0.00 31.44 30.19 2dj1 n GLU 55 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 2dj1 h TYR 56 N -0.04 0.19 -0.29 4.31 3.20 -1.04 -2.52 116.97 120.78 2dj1 h TYR 56 Ca -0.42 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.33 2dj1 h TYR 56 Cb 1.96 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 40.16 2dj1 h TYR 56 CO 0.08 0.38 -0.24 1.05 -1.64 0.00 0.00 178.16 177.78 2dj1 h GLU 57 N 0.16 0.55 -0.92 1.82 4.11 -1.70 -2.89 114.58 115.72 2dj1 h GLU 57 Ca 0.03 -0.21 0.03 0.00 0.07 0.00 0.00 59.36 59.28 2dj1 h GLU 57 Cb 0.46 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2dj1 h GLU 57 CO 0.03 0.75 0.61 0.87 0.07 0.00 0.00 179.01 181.34 2dj1 h LYS 58 N 0.49 1.15 -0.58 1.06 1.57 -1.56 -2.07 116.57 116.63 2dj1 h LYS 58 Ca 0.07 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2dj1 h LYS 58 Cb 0.68 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2dj1 h LYS 58 CO 0.05 0.76 0.03 0.82 -0.57 0.00 0.00 179.45 180.55 2dj1 h ILE 59 N 1.19 1.26 -0.06 1.86 2.04 -1.52 -3.00 117.51 119.27 2dj1 h ILE 59 Ca 0.36 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.18 2dj1 h ILE 59 Cb -0.03 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 2dj1 h ILE 59 CO -0.10 0.39 -0.46 0.00 0.00 0.00 0.00 178.15 177.97 2dj1 h ALA 60 N 1.13 -0.86 -0.41 1.87 0.00 -1.29 0.19 119.26 119.89 2dj1 h ALA 60 Ca 0.17 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2dj1 h ALA 60 Cb 0.48 0.92 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2dj1 h ALA 60 CO 0.02 -1.01 -0.06 0.77 0.00 0.00 0.00 179.25 178.97 2dj1 h SER 61 N -0.54 -0.30 0.06 0.00 0.02 -1.56 0.25 113.55 111.48 2dj1 h SER 61 Ca 0.02 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2dj1 h SER 61 Cb 0.60 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2dj1 h SER 61 CO -0.34 -0.10 -0.20 0.74 -1.14 0.00 0.00 176.83 175.79 2dj1 h THR 62 N 0.04 0.00 -0.04 -2.27 2.02 -1.26 -0.83 112.91 110.56 2dj1 h THR 62 Ca 0.20 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.39 2dj1 h THR 62 Cb 0.30 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2dj1 h THR 62 CO -0.39 0.00 0.10 -0.07 0.37 0.00 0.00 175.52 175.53 2dj1 h LEU 63 N -0.29 0.00 -0.44 2.58 3.38 -0.80 -2.21 115.31 117.53 2dj1 h LEU 63 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2dj1 h LEU 63 Cb 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2dj1 h LEU 63 CO -0.10 0.00 0.06 0.50 0.09 0.00 0.00 178.44 178.99 2dj1 h LYS 64 N 0.00 0.17 0.00 1.13 3.64 1.00 -0.95 116.57 121.57 2dj1 h LYS 64 Ca 0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dj1 h LYS 64 Cb 0.22 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2dj1 h LYS 64 CO -0.00 0.11 -0.08 0.22 -2.27 0.00 0.00 179.45 177.43 2dj1 h ASP 65 N 0.18 0.00 -3.35 4.20 3.58 -1.28 -3.40 116.42 116.35 2dj1 h ASP 65 Ca 0.22 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.10 2dj1 h ASP 65 Cb 0.29 0.00 0.18 0.00 1.72 0.00 0.00 39.33 41.52 2dj1 h ASP 65 CO -0.31 0.02 -0.17 -3.20 -2.88 0.00 0.00 179.24 172.69 2dj1 n ASN 66 N -3.08 -0.36 -4.23 2.28 5.15 -0.37 -4.82 115.26 109.82 2dj1 n ASN 66 Ca 0.04 0.69 -0.33 0.00 -0.60 0.00 0.00 54.58 54.38 2dj1 n ASN 66 Cb 0.54 -1.28 -0.15 0.00 -0.53 0.00 0.00 39.78 38.35 2dj1 n ASN 66 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2dj1 s ASP 67 N -1.38 3.55 0.99 1.20 -4.77 -1.26 -1.80 116.67 113.20 2dj1 s ASP 67 Ca 0.71 -0.51 -0.12 0.00 -3.30 0.00 0.00 52.55 49.32 2dj1 s ASP 67 Cb -0.39 -1.55 0.18 0.00 -1.09 0.00 0.00 42.92 40.08 2dj1 s ASP 67 CO 0.53 0.06 1.09 -2.16 0.70 0.00 0.00 175.17 175.39 2dj1 s PRO 68 N 0.95 0.50 -0.36 2.11 0.04 -1.26 -4.93 135.00 132.04 2dj1 s PRO 68 Ca -0.03 0.55 -0.28 0.00 0.04 0.00 0.00 61.00 61.28 2dj1 s PRO 68 Cb -0.15 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2dj1 s PRO 68 CO -0.03 -2.69 1.71 -1.25 0.04 0.00 0.00 177.00 174.77 2dj1 s PRO 69 N -4.96 3.37 0.31 0.56 0.04 -0.74 -4.98 135.00 128.59 2dj1 s PRO 69 Ca 0.65 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2dj1 s PRO 69 Cb -0.19 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 2dj1 s PRO 69 CO 0.58 -1.82 0.51 0.42 0.04 0.00 0.00 177.00 176.73 2dj1 s ILE 70 N 6.60 5.12 -0.16 0.56 1.01 -1.16 -5.01 121.20 128.16 2dj1 s ILE 70 Ca 0.75 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.96 2dj1 s ILE 70 Cb -0.20 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.48 2dj1 s ILE 70 CO 0.33 -0.46 -0.06 0.00 0.00 0.00 0.00 174.94 174.75 2dj1 s ALA 71 N -2.20 1.52 -0.11 9.38 0.00 -1.26 -4.07 121.76 125.03 2dj1 s ALA 71 Ca 0.40 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 2dj1 s ALA 71 Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2dj1 s ALA 71 CO 0.34 -0.73 0.78 0.08 0.00 0.00 0.00 175.76 176.23 2dj1 s VAL 72 N 1.62 4.96 0.26 0.00 1.01 -1.26 -3.28 120.40 123.70 2dj1 s VAL 72 Ca 0.01 1.57 0.04 0.00 0.00 0.00 0.00 61.98 63.60 2dj1 s VAL 72 Cb -0.15 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2dj1 s VAL 72 CO -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 175.10 175.15 2dj1 s ALA 73 N 1.48 2.01 0.07 5.51 0.00 -1.19 -0.51 121.76 129.12 2dj1 s ALA 73 Ca 0.39 -1.84 0.06 0.00 0.00 0.00 0.00 51.96 50.56 2dj1 s ALA 73 Cb -0.17 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2dj1 s ALA 73 CO 0.16 -0.22 -0.16 -1.59 0.00 0.00 0.00 175.76 173.96 2dj1 s LYS 74 N -3.84 0.92 -0.02 0.00 -2.85 0.11 -2.46 119.74 111.61 2dj1 s LYS 74 Ca 0.30 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 2dj1 s LYS 74 Cb 0.06 -0.98 0.02 0.00 -2.06 0.00 0.00 37.83 34.87 2dj1 s LYS 74 CO 0.10 0.23 0.00 0.42 0.10 0.00 0.00 175.35 176.21 2dj1 s ILE 75 N -1.12 0.12 -0.70 3.79 1.01 -0.14 -2.38 121.20 121.78 2dj1 s ILE 75 Ca 0.01 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 2dj1 s ILE 75 Cb -0.09 -0.19 0.08 0.00 0.01 0.00 0.00 42.46 42.26 2dj1 s ILE 75 CO 0.02 0.11 0.99 -0.62 0.00 0.00 0.00 174.94 175.44 2dj1 s ASP 76 N 0.77 6.23 0.31 3.58 2.15 -1.26 -2.23 116.67 126.23 2dj1 s ASP 76 Ca -0.07 -1.14 0.09 0.00 0.43 0.00 0.00 52.55 51.86 2dj1 s ASP 76 Cb -0.10 -2.42 0.89 0.00 -0.30 0.00 0.00 42.92 40.99 2dj1 s ASP 76 CO -0.02 -1.39 1.69 0.00 -0.17 0.00 0.00 175.17 175.28 2dj1 h ALA 77 N 9.48 1.68 -0.57 3.66 0.00 -1.77 0.73 119.26 132.46 2dj1 h ALA 77 Ca -0.23 0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2dj1 h ALA 77 Cb 1.06 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2dj1 h ALA 77 CO 1.18 -0.42 0.38 1.79 0.00 0.00 0.00 179.25 182.18 2dj1 h THR 78 N 0.40 0.88 0.05 0.00 1.35 -1.91 -2.17 112.91 111.52 2dj1 h THR 78 Ca 0.64 -0.12 -0.33 0.00 -0.55 0.00 0.00 66.41 66.05 2dj1 h THR 78 Cb 1.31 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 68.20 2dj1 h THR 78 CO -0.56 0.06 -1.88 -0.24 -0.25 0.00 0.00 175.52 172.65 2dj1 n SER 79 N -4.46 1.39 -4.16 5.36 2.88 0.22 -4.70 113.62 110.14 2dj1 n SER 79 Ca 0.09 0.30 -0.39 0.00 -1.33 0.00 0.00 58.87 57.54 2dj1 n SER 79 Cb 0.39 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 63.39 2dj1 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dj1 s ALA 80 N -2.57 3.44 -0.10 -1.46 0.00 0.90 -4.94 121.76 117.04 2dj1 s ALA 80 Ca -0.13 -2.82 -0.12 0.00 0.00 0.00 0.00 51.96 48.89 2dj1 s ALA 80 Cb 0.07 -2.73 -0.10 0.00 0.00 0.00 0.00 23.12 20.37 2dj1 s ALA 80 CO 0.80 -1.97 0.38 1.03 0.00 0.00 0.00 175.76 176.00 2dj1 h SER 81 N 7.87 -0.07 -0.60 0.00 0.87 -1.84 -3.12 113.55 116.67 2dj1 h SER 81 Ca -0.11 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.21 2dj1 h SER 81 Cb 1.03 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.93 2dj1 h SER 81 CO 0.77 0.56 -0.35 0.80 -0.53 0.00 0.00 176.83 178.07 2dj1 n MET 82 N -4.79 -0.26 -0.29 2.24 0.00 -1.26 0.19 117.12 112.94 2dj1 n MET 82 Ca -0.04 1.29 0.08 0.00 -0.00 0.00 0.00 57.70 59.03 2dj1 n MET 82 Cb 0.18 -1.91 0.24 0.00 0.00 0.00 0.00 33.22 31.73 2dj1 n MET 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2dj1 h LEU 83 N 0.00 0.44 -0.55 -0.89 3.38 -1.97 -1.11 115.31 114.60 2dj1 h LEU 83 Ca 0.10 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.29 2dj1 h LEU 83 Cb 0.25 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 2dj1 h LEU 83 CO -0.56 0.15 -0.14 0.00 0.09 0.00 0.00 178.44 177.97 2dj1 h ALA 84 N 1.60 0.36 0.00 1.53 0.00 -0.19 0.33 119.26 122.88 2dj1 h ALA 84 Ca 0.48 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.57 2dj1 h ALA 84 Cb 0.75 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dj1 h ALA 84 CO -0.41 -0.44 -0.17 0.77 0.00 0.00 0.00 179.25 179.00 2dj1 h SER 85 N -0.01 0.00 0.53 0.00 0.02 -0.41 0.19 113.55 113.87 2dj1 h SER 85 Ca 0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2dj1 h SER 85 Cb 0.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2dj1 h SER 85 CO -0.57 0.17 -0.32 0.50 -1.14 0.00 0.00 176.83 175.46 2dj1 h LYS 86 N 0.00 -0.78 -0.99 3.45 3.64 0.05 -2.76 116.57 119.18 2dj1 h LYS 86 Ca -0.00 0.05 -0.45 0.00 -1.27 0.00 0.00 60.65 58.98 2dj1 h LYS 86 Cb 0.36 0.18 -0.27 0.00 -0.41 0.00 0.00 32.23 32.09 2dj1 h LYS 86 CO 0.02 -0.52 0.57 1.19 -2.27 0.00 0.00 179.45 178.44 2dj1 n PHE 87 N -5.46 2.72 -4.11 1.91 3.01 -1.04 -4.54 117.46 109.94 2dj1 n PHE 87 Ca -0.12 -1.67 -0.33 0.00 1.01 0.00 0.00 57.45 56.34 2dj1 n PHE 87 Cb 0.35 -0.86 -0.08 0.00 -0.01 0.00 0.00 39.48 38.88 2dj1 n PHE 87 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2dj1 n ASP 88 N -0.92 -0.50 -4.55 4.37 2.03 -0.81 -4.74 116.55 111.43 2dj1 n ASP 88 Ca 0.53 -1.09 -0.35 0.00 0.52 0.00 0.00 54.79 54.39 2dj1 n ASP 88 Cb 1.54 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 40.52 2dj1 n ASP 88 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dj1 s VAL 89 N -3.51 3.36 -0.32 5.18 1.01 0.61 -4.80 120.40 121.93 2dj1 s VAL 89 Ca 0.40 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.51 2dj1 s VAL 89 Cb -0.23 -3.92 0.45 0.00 0.00 0.00 0.00 36.38 32.68 2dj1 s VAL 89 CO 0.88 -0.88 1.18 -0.24 0.00 0.00 0.00 175.10 176.04 2dj1 n SER 90 N 13.19 4.92 0.00 3.32 2.88 -1.26 -4.83 113.62 131.84 2dj1 n SER 90 Ca 0.26 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.05 2dj1 n SER 90 Cb 0.51 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.67 0.44 3.52 0.46 0.00 -1.26 -5.18 105.19 102.50 2dj1 n GLY 91 Ca 0.43 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.50 0.52 1.61 1.51 -1.26 -4.25 117.35 112.98 2dj1 s TYR 92 Ca 0.00 0.71 -0.20 0.00 -1.01 0.00 0.00 57.07 56.57 2dj1 s TYR 92 Cb 0.00 0.46 -0.06 0.00 -0.11 0.00 0.00 41.96 42.25 2dj1 s TYR 92 CO 0.00 -0.55 1.14 -1.25 -1.11 0.00 0.00 175.55 173.78 2dj1 s PRO 93 N -1.84 3.46 -0.03 -1.71 0.04 -1.26 -5.02 135.00 128.64 2dj1 s PRO 93 Ca -0.04 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.66 2dj1 s PRO 93 Cb -0.00 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2dj1 s PRO 93 CO 0.01 -0.77 -0.02 0.99 0.04 0.00 0.00 177.00 177.25 2dj1 s THR 94 N -1.71 0.31 0.01 1.26 2.01 -0.90 -5.02 115.64 111.60 2dj1 s THR 94 Ca 0.70 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.74 2dj1 s THR 94 Cb -0.25 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 2dj1 s THR 94 CO 0.29 0.16 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.58 2dj1 s ILE 95 N 0.79 2.91 0.22 1.82 1.01 -1.26 0.33 121.20 127.02 2dj1 s ILE 95 Ca -0.09 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 59.47 2dj1 s ILE 95 Cb -0.12 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2dj1 s ILE 95 CO -0.01 0.41 0.27 -0.54 0.00 0.00 0.00 174.94 175.07 2dj1 s LYS 96 N -1.24 1.36 0.04 2.79 -0.14 0.11 -3.96 119.74 118.70 2dj1 s LYS 96 Ca 0.14 -1.51 0.04 0.00 -1.36 0.00 0.00 55.97 53.28 2dj1 s LYS 96 Cb -0.11 0.35 -0.02 0.00 -1.68 0.00 0.00 37.83 36.37 2dj1 s LYS 96 CO 0.04 -0.50 -0.12 0.42 -0.76 0.00 0.00 175.35 174.43 2dj1 s ILE 97 N -4.06 0.92 -0.21 2.17 1.01 -1.11 -1.56 121.20 118.37 2dj1 s ILE 97 Ca 0.33 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2dj1 s ILE 97 Cb 0.04 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.67 2dj1 s ILE 97 CO 0.12 -0.11 -0.15 -0.22 0.00 0.00 0.00 174.94 174.58 2dj1 s LEU 98 N -1.25 2.60 -0.37 2.97 2.96 0.60 -1.32 118.68 124.86 2dj1 s LEU 98 Ca -0.02 -0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 53.07 2dj1 s LEU 98 Cb -0.08 -1.54 0.09 0.00 0.50 0.00 0.00 46.19 45.15 2dj1 s LEU 98 CO 0.01 -0.06 0.14 -0.75 -1.32 0.00 0.00 176.35 174.38 2dj1 s LYS 99 N 1.28 2.15 -0.69 1.98 2.47 0.10 -1.67 119.74 125.36 2dj1 s LYS 99 Ca 0.02 -1.63 0.00 0.00 -1.56 0.00 0.00 55.97 52.80 2dj1 s LYS 99 Cb -0.15 -3.46 0.00 0.00 -1.46 0.00 0.00 37.83 32.76 2dj1 s LYS 99 CO -0.09 -0.92 0.00 1.63 0.16 0.00 0.00 175.35 176.13 2dj1 n LYS 100 N 4.61 -2.23 0.00 4.03 5.02 0.56 0.10 118.16 130.26 2dj1 n LYS 100 Ca -0.06 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2dj1 n LYS 100 Cb 0.42 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 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 -0.57 1.01 3.33 0.72 0.00 -1.26 -5.08 105.19 103.34 2dj1 n GLY 101 Ca -0.09 0.00 -0.35 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 -0.50 3.42 -0.25 1.61 2.00 0.29 -5.08 119.66 121.15 2dj1 s GLN 102 Ca 0.00 -0.60 -0.29 0.00 -2.00 0.00 0.00 55.36 52.47 2dj1 s GLN 102 Cb 0.00 -3.05 -0.00 0.00 0.80 0.00 0.00 33.01 30.75 2dj1 s GLN 102 CO 0.00 -0.19 1.29 0.00 -0.50 0.00 0.00 175.29 175.90 2dj1 s ALA 103 N 1.47 3.46 -0.34 1.58 0.00 -1.26 -0.72 121.76 125.96 2dj1 s ALA 103 Ca 0.06 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 2dj1 s ALA 103 Cb -0.14 -3.72 0.06 0.00 0.00 0.00 0.00 23.12 19.31 2dj1 s ALA 103 CO -0.02 -1.58 0.08 0.08 0.00 0.00 0.00 175.76 174.32 2dj1 s VAL 104 N 4.11 3.26 0.21 0.00 1.01 -0.44 -4.90 120.40 123.64 2dj1 s VAL 104 Ca 0.56 -1.49 -0.32 0.00 0.00 0.00 0.00 61.98 60.73 2dj1 s VAL 104 Cb -0.18 -2.95 -0.13 0.00 0.00 0.00 0.00 36.38 33.11 2dj1 s VAL 104 CO 0.20 -0.27 1.53 0.47 0.00 0.00 0.00 175.10 177.03 2dj1 n ASP 105 N 4.66 3.12 -4.35 3.32 8.00 -1.26 -2.73 116.55 127.31 2dj1 n ASP 105 Ca -0.10 1.11 -0.42 0.00 0.71 0.00 0.00 54.79 56.09 2dj1 n ASP 105 Cb 0.43 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 39.97 2dj1 n ASP 105 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2dj1 s TYR 106 N 0.44 3.27 -0.89 1.24 5.04 -1.25 -4.94 117.35 120.26 2dj1 s TYR 106 Ca 0.73 -1.10 -0.08 0.00 -2.44 0.00 0.00 57.07 54.17 2dj1 s TYR 106 Cb -0.63 -2.77 0.23 0.00 0.35 0.00 0.00 41.96 39.13 2dj1 s TYR 106 CO 0.43 -0.74 0.81 0.16 -1.34 0.00 0.00 175.55 174.87 2dj1 s ASP 107 N 1.97 6.52 0.00 4.32 -4.77 -1.26 -4.84 116.67 118.60 2dj1 s ASP 107 Ca 0.03 -3.17 0.00 0.00 -3.30 0.00 0.00 52.55 46.11 2dj1 s ASP 107 Cb -0.21 -2.09 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 2dj1 s ASP 107 CO 0.06 -0.38 0.00 0.61 0.70 0.00 0.00 175.17 176.15 2dj1 n GLY 108 N 3.22 5.47 0.41 2.12 0.00 -1.26 -5.05 105.19 110.10 2dj1 n GLY 108 Ca 0.17 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.91 2dj1 n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj1 n SER 109 N 0.00 2.93 -3.77 1.61 7.64 -1.26 -4.97 113.62 115.80 2dj1 n SER 109 Ca 0.00 -2.88 -0.27 0.00 1.01 0.00 0.00 58.87 56.73 2dj1 n SER 109 Cb 0.00 -0.42 0.05 0.00 -1.01 0.00 0.00 64.21 62.83 2dj1 n SER 109 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dj1 n ARG 110 N -0.86 -6.66 -4.12 1.43 1.74 -1.26 -4.98 116.66 101.95 2dj1 n ARG 110 Ca 0.16 0.70 -0.26 0.00 -0.77 0.00 0.00 57.85 57.69 2dj1 n ARG 110 Cb 0.68 -5.67 -0.06 0.00 -1.02 0.00 0.00 32.46 26.39 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 -3.31 4.31 0.33 0.55 -4.23 -1.26 -4.94 115.64 107.10 2dj1 s THR 111 Ca 0.63 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 2dj1 s THR 111 Cb -0.30 -3.21 0.14 0.00 1.34 0.00 0.00 72.50 70.46 2dj1 s THR 111 CO 0.78 -0.15 1.85 -0.61 -0.54 0.00 0.00 174.62 175.95 2dj1 h GLN 112 N 2.34 0.44 -0.00 3.99 4.15 -1.93 0.41 115.11 124.50 2dj1 h GLN 112 Ca -0.48 -0.11 -0.22 0.00 0.77 0.00 0.00 58.65 58.62 2dj1 h GLN 112 Cb 1.21 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 2dj1 h GLN 112 CO 0.62 0.54 -0.91 1.05 -1.93 0.00 0.00 178.83 178.20 2dj1 h GLU 113 N 0.41 0.36 0.00 1.69 4.11 -1.98 -3.08 114.58 116.08 2dj1 h GLU 113 Ca 0.08 -0.38 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2dj1 h GLU 113 Cb 0.43 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2dj1 h GLU 113 CO 0.02 1.06 -0.04 0.93 0.07 0.00 0.00 179.01 181.05 2dj1 h GLU 114 N 0.20 0.00 -1.27 1.06 4.39 -1.89 -2.58 114.58 114.49 2dj1 h GLU 114 Ca -0.07 0.00 0.46 0.00 0.34 0.00 0.00 59.36 60.10 2dj1 h GLU 114 Cb 1.54 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.04 2dj1 h GLU 114 CO 0.15 0.00 0.79 0.82 -1.16 0.00 0.00 179.01 179.61 2dj1 h ILE 115 N -0.37 0.00 0.10 3.13 2.04 -0.36 1.40 117.51 123.45 2dj1 h ILE 115 Ca 0.00 -0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.58 2dj1 h ILE 115 Cb 0.04 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.13 2dj1 h ILE 115 CO 0.00 0.00 -1.18 0.58 0.00 0.00 0.00 178.15 177.55 2dj1 h VAL 116 N 0.00 1.37 -0.52 1.67 2.07 -1.68 -2.46 116.25 116.70 2dj1 h VAL 116 Ca 0.88 -2.63 0.03 0.00 0.82 0.00 0.00 66.70 65.79 2dj1 h VAL 116 Cb 2.68 2.71 -0.04 0.00 -1.52 0.00 0.00 31.29 35.12 2dj1 h VAL 116 CO -0.56 0.79 0.31 0.00 0.02 0.00 0.00 177.57 178.12 2dj1 h ALA 117 N 0.48 0.67 0.33 1.67 0.00 0.23 0.26 119.26 122.90 2dj1 h ALA 117 Ca -0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2dj1 h ALA 117 Cb 1.86 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2dj1 h ALA 117 CO 0.21 0.01 -0.16 -0.22 0.00 0.00 0.00 179.25 179.09 2dj1 h LYS 118 N 0.61 -0.43 -0.21 0.00 1.63 -1.32 -2.67 116.57 114.19 2dj1 h LYS 118 Ca 0.21 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.08 2dj1 h LYS 118 Cb 0.04 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 2dj1 h LYS 118 CO -0.11 -0.19 -0.51 0.28 -3.45 0.00 0.00 179.45 175.48 2dj1 h VAL 119 N -1.06 0.00 -0.17 2.00 2.07 -1.43 0.64 116.25 118.30 2dj1 h VAL 119 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2dj1 h VAL 119 Cb 0.44 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2dj1 h VAL 119 CO 0.08 0.00 0.27 -0.09 0.02 0.00 0.00 177.57 177.84 2dj1 h ARG 120 N -0.48 0.00 0.09 1.57 2.43 -1.08 0.18 114.38 117.09 2dj1 h ARG 120 Ca 0.04 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.92 2dj1 h ARG 120 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2dj1 h ARG 120 CO -0.45 0.00 -1.43 1.49 -1.51 0.00 0.00 179.97 178.07 2dj1 h GLU 121 N 0.00 0.20 0.04 0.20 4.81 0.03 -3.33 114.58 116.53 2dj1 h GLU 121 Ca 0.08 -0.34 -0.23 0.00 -0.13 0.00 0.00 59.36 58.74 2dj1 h GLU 121 Cb 0.62 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2dj1 h GLU 121 CO -0.00 1.06 -1.02 0.28 -0.73 0.00 0.00 179.01 178.60 2dj1 h VAL 122 N 0.05 1.46 -0.54 0.32 2.07 0.25 -3.23 116.25 116.64 2dj1 h VAL 122 Ca -0.20 -2.71 0.08 0.00 0.82 0.00 0.00 66.70 64.68 2dj1 h VAL 122 Cb 1.98 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 34.33 2dj1 h VAL 122 CO 0.16 0.80 0.36 0.77 0.02 0.00 0.00 177.57 179.68 2dj1 h SER 123 N 0.14 0.38 -3.32 0.57 4.64 -0.90 -3.43 113.55 111.63 2dj1 h SER 123 Ca -0.09 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.67 2dj1 h SER 123 Cb 1.69 -0.08 0.12 0.00 -0.31 0.00 0.00 62.40 63.82 2dj1 h SER 123 CO 0.17 0.24 0.45 0.00 -0.87 0.00 0.00 176.83 176.82 2dj1 n GLN 124 N -4.47 1.96 0.21 4.77 1.13 -1.22 -4.89 117.38 114.88 2dj1 n GLN 124 Ca 0.08 0.69 0.08 0.00 -1.94 0.00 0.00 57.00 55.91 2dj1 n GLN 124 Cb 0.30 -2.29 0.46 0.00 0.11 0.00 0.00 30.24 28.81 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 2.29 0.00 0.10 -1.09 0.13 -1.90 -3.10 132.00 128.42 2dj1 h PRO 125 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 2dj1 h PRO 125 Cb 1.29 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.45 2dj1 h PRO 125 CO 0.61 0.28 -1.14 -0.44 -0.23 0.00 0.00 178.00 177.08 2dj1 h ASP 126 N 0.00 0.83 -3.28 1.44 3.32 -1.93 -3.46 116.42 113.35 2dj1 h ASP 126 Ca -0.00 -0.81 -0.58 0.00 0.02 0.00 0.00 57.03 55.66 2dj1 h ASP 126 Cb 0.70 -0.26 0.15 0.00 0.22 0.00 0.00 39.33 40.14 2dj1 h ASP 126 CO 0.04 1.56 0.07 1.87 -1.72 0.00 0.00 179.24 181.06 2dj1 n TRP 127 N -3.86 0.76 -4.09 4.55 -0.00 -1.17 -5.02 117.44 108.61 2dj1 n TRP 127 Ca -0.13 0.48 -0.14 0.00 -0.00 0.00 0.00 57.50 57.72 2dj1 n TRP 127 Cb 0.93 -2.15 -0.12 0.00 -0.00 0.00 0.00 31.31 29.97 2dj1 n TRP 127 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2dj1 s THR 128 N -1.45 0.55 0.46 5.87 -4.23 -1.26 -4.95 115.64 110.63 2dj1 s THR 128 Ca 0.69 -0.94 -0.23 0.00 -1.18 0.00 0.00 61.69 60.04 2dj1 s THR 128 Cb -0.48 -0.59 -0.07 0.00 1.34 0.00 0.00 72.50 72.70 2dj1 s THR 128 CO 0.52 -0.29 1.16 -2.16 -0.54 0.00 0.00 174.62 173.32 2dj1 s PRO 129 N -1.33 3.74 0.75 3.99 0.04 -1.26 -5.02 135.00 135.91 2dj1 s PRO 129 Ca -0.08 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 2dj1 s PRO 129 Cb -0.09 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 32.11 2dj1 s PRO 129 CO 0.00 -0.56 1.09 -1.25 0.04 0.00 0.00 177.00 176.33 2dj1 s PRO 130 N -2.73 2.36 1.08 0.56 0.04 -1.26 -5.05 135.00 130.00 2dj1 s PRO 130 Ca 0.64 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 2dj1 s PRO 130 Cb -0.28 -1.91 0.27 0.00 0.04 0.00 0.00 34.50 32.62 2dj1 s PRO 130 CO 0.34 -1.57 0.96 -0.35 0.04 0.00 0.00 177.00 176.42 2dj1 n PRO 131 N -3.31 -2.89 -3.56 0.56 -0.04 -1.26 -4.28 135.00 120.22 2dj1 n PRO 131 Ca 0.09 -1.53 -0.24 0.00 -0.04 0.00 0.00 63.50 61.78 2dj1 n PRO 131 Cb 0.53 -1.43 0.07 0.00 -0.04 0.00 0.00 33.50 32.62 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 -4.43 -7.43 -1.86 0.54 4.07 -1.26 -4.95 120.64 105.33 2dj1 n GLU 132 Ca 0.13 0.82 -0.35 0.00 -0.06 0.00 0.00 57.16 57.70 2dj1 n GLU 132 Cb 0.51 -5.84 0.05 0.00 -0.06 0.00 0.00 31.44 26.10 2dj1 n GLU 132 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2dj1 s VAL 133 N -3.30 2.67 -0.41 6.31 -7.23 -1.26 -5.02 120.40 112.16 2dj1 s VAL 133 Ca 0.56 0.38 0.02 0.00 -1.81 0.00 0.00 61.98 61.14 2dj1 s VAL 133 Cb -0.25 -3.06 0.12 0.00 0.56 0.00 0.00 36.38 33.75 2dj1 s VAL 133 CO 0.70 -0.13 0.17 0.42 -0.31 0.00 0.00 175.10 175.95 2dj1 s THR 134 N -1.80 1.81 0.44 5.32 -4.23 -1.26 -5.11 115.64 110.80 2dj1 s THR 134 Ca 0.75 -2.48 -0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2dj1 s THR 134 Cb -0.28 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 2dj1 s THR 134 CO 0.37 -0.76 0.71 -0.55 -0.54 0.00 0.00 174.62 173.84 2dj1 s SER 135 N 0.56 6.24 0.05 3.99 0.15 -1.26 -5.01 113.70 118.41 2dj1 s SER 135 Ca 0.14 0.74 0.01 0.00 0.70 0.00 0.00 55.95 57.54 2dj1 s SER 135 Cb -0.22 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2dj1 s SER 135 CO -0.06 -0.50 0.13 -0.83 1.20 0.00 0.00 173.24 173.18 2dj1 s GLY 136 N -4.09 2.10 0.14 9.45 0.00 -1.26 -5.08 107.32 108.57 2dj1 s GLY 136 Ca 0.45 -0.90 -0.31 0.00 0.00 0.00 0.00 44.72 43.96 2dj1 s GLY 136 CO 0.42 -0.86 1.35 2.56 0.00 0.00 0.00 173.10 176.57 2dj1 s PRO 137 N -2.28 4.35 -0.11 2.90 0.04 -1.26 -4.96 135.00 133.68 2dj1 s PRO 137 Ca 0.30 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 2dj1 s PRO 137 Cb -0.12 -3.24 -0.16 0.00 0.04 0.00 0.00 34.50 31.01 2dj1 s PRO 137 CO 0.22 -0.36 0.58 1.03 0.04 0.00 0.00 177.00 178.51 2dj1 h SER 138 N 6.33 -0.03 -4.48 6.66 0.87 -2.05 -3.49 113.55 117.35 2dj1 h SER 138 Ca -0.43 -0.58 0.12 0.00 -1.23 0.00 0.00 61.79 59.67 2dj1 h SER 138 Cb 1.21 0.01 -0.17 0.00 -0.44 0.00 0.00 62.40 63.01 2dj1 h SER 138 CO 0.83 0.72 0.54 -0.55 -0.53 0.00 0.00 176.83 177.85 2dj1 s SER 139 N -5.87 -0.34 0.00 6.23 0.15 -1.26 -5.27 113.70 107.33 2dj1 s SER 139 Ca -0.12 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dj1 s SER 139 Cb -0.01 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2dj1 s SER 139 CO 0.45 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.99