#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj1 s SER 2 N 0.00 6.71 -0.10 1.61 0.15 -1.26 -5.04 113.70 115.76 2dj1 s SER 2 Ca 0.00 0.84 0.02 0.00 0.70 0.00 0.00 55.95 57.52 2dj1 s SER 2 Cb 0.00 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 2dj1 s SER 2 CO 0.00 -0.48 -0.18 -0.44 1.20 0.00 0.00 173.24 173.34 2dj1 s SER 3 N 1.44 3.64 0.00 5.45 0.01 -1.26 -4.99 113.70 117.99 2dj1 s SER 3 Ca 0.31 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2dj1 s SER 3 Cb -0.15 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2dj1 s SER 3 CO 0.09 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2dj1 n GLY 4 N 3.24 -0.66 0.05 3.44 0.00 -1.26 -5.02 105.19 104.98 2dj1 n GLY 4 Ca -0.18 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 2dj1 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dj1 h SER 5 N 0.00 0.00 -3.75 1.61 0.02 -2.07 -3.49 113.55 105.88 2dj1 h SER 5 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 2dj1 h SER 5 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2dj1 h SER 5 CO 0.00 0.56 -0.69 -0.94 -1.14 0.00 0.00 176.83 174.62 2dj1 s SER 6 N -5.53 1.99 0.00 3.07 1.04 -1.26 -5.13 113.70 107.88 2dj1 s SER 6 Ca -0.05 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2dj1 s SER 6 Cb 0.01 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2dj1 s SER 6 CO 0.07 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2dj1 n GLY 7 N -0.33 2.84 3.63 7.32 0.00 -1.26 -5.18 105.19 112.21 2dj1 n GLY 7 Ca -0.08 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2dj1 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dj1 s ASP 8 N 1.73 -0.61 -1.17 1.61 -1.08 -1.26 -5.09 116.67 110.80 2dj1 s ASP 8 Ca 0.00 1.17 -0.20 0.00 -0.52 0.00 0.00 52.55 53.00 2dj1 s ASP 8 Cb 0.00 1.19 0.05 0.00 -1.46 0.00 0.00 42.92 42.70 2dj1 s ASP 8 CO 0.00 -0.20 1.65 -0.62 0.52 0.00 0.00 175.17 176.51 2dj1 s ASP 9 N 0.38 6.56 0.00 -0.34 2.15 -1.26 -4.47 116.67 119.69 2dj1 s ASP 9 Ca 0.01 -1.97 0.00 0.00 0.43 0.00 0.00 52.55 51.02 2dj1 s ASP 9 Cb -0.05 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2dj1 s ASP 9 CO -0.03 -1.45 0.00 0.47 -0.17 0.00 0.00 175.17 173.99 2dj1 n ASP 10 N 9.07 1.71 -4.55 -0.34 9.92 -1.26 -4.97 116.55 126.13 2dj1 n ASP 10 Ca 0.42 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 54.30 2dj1 n ASP 10 Cb 0.48 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.93 2dj1 n ASP 10 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dj1 s LEU 11 N -5.35 3.29 0.21 0.64 1.43 -1.26 -4.95 118.68 112.69 2dj1 s LEU 11 Ca 0.00 0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.50 2dj1 s LEU 11 Cb 0.00 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 2dj1 s LEU 11 CO 0.00 -2.33 -0.16 -1.83 0.23 0.00 0.00 176.35 172.27 2dj1 s GLU 12 N 6.92 1.39 -0.03 1.70 -1.05 -1.26 -5.08 118.70 121.28 2dj1 s GLU 12 Ca 0.66 -1.60 0.01 0.00 -0.15 0.00 0.00 54.97 53.88 2dj1 s GLU 12 Cb -0.13 -1.26 0.02 0.00 -0.44 0.00 0.00 34.13 32.33 2dj1 s GLU 12 CO 0.21 0.22 -0.02 0.08 0.95 0.00 0.00 175.26 176.69 2dj1 s VAL 13 N -2.80 0.33 0.39 1.83 1.01 -1.26 -4.86 120.40 115.04 2dj1 s VAL 13 Ca 0.23 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2dj1 s VAL 13 Cb -0.02 -0.37 0.07 0.00 0.00 0.00 0.00 36.38 36.06 2dj1 s VAL 13 CO 0.08 0.16 0.54 0.29 0.00 0.00 0.00 175.10 176.18 2dj1 n LYS 14 N 3.87 0.59 -3.68 2.72 5.02 -1.25 -4.91 118.16 120.52 2dj1 n LYS 14 Ca -0.24 -1.91 -0.15 0.00 -2.02 0.00 0.00 58.31 53.99 2dj1 n LYS 14 Cb 0.52 -0.22 -0.08 0.00 -0.02 0.00 0.00 35.03 35.23 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 -3.79 0.77 -0.06 1.97 1.03 -1.26 -0.88 118.70 116.48 2dj1 s GLU 15 Ca 0.40 0.09 -0.02 0.00 0.03 0.00 0.00 54.97 55.47 2dj1 s GLU 15 Cb -0.03 0.35 0.03 0.00 -0.80 0.00 0.00 34.13 33.69 2dj1 s GLU 15 CO 0.25 -0.21 0.06 -1.21 -1.33 0.00 0.00 175.26 172.83 2dj1 s GLU 16 N -1.01 -0.01 -1.52 -4.83 0.41 0.83 -4.83 118.70 107.75 2dj1 s GLU 16 Ca -0.10 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.77 2dj1 s GLU 16 Cb -0.03 -0.68 0.00 0.00 -1.78 0.00 0.00 34.13 31.64 2dj1 s GLU 16 CO 0.05 -0.36 0.00 -1.71 -0.49 0.00 0.00 175.26 172.75 2dj1 n ASN 17 N 5.29 -5.03 0.00 -0.19 2.85 -1.26 -0.69 115.26 116.22 2dj1 n ASN 17 Ca -0.04 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 2dj1 n ASN 17 Cb 0.50 -4.25 0.00 0.00 1.24 0.00 0.00 39.78 37.27 2dj1 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dj1 n GLY 18 N -0.86 0.65 3.03 8.20 0.00 -1.26 -4.80 105.19 110.15 2dj1 n GLY 18 Ca -0.20 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 1.91 0.62 1.61 1.01 0.13 -4.48 120.40 119.21 2dj1 s VAL 19 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 2dj1 s VAL 19 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2dj1 s VAL 19 CO 0.00 0.06 1.20 0.26 0.00 0.00 0.00 175.10 176.62 2dj1 s TRP 20 N 1.25 2.35 -0.32 5.22 0.52 -0.93 -0.12 118.94 126.91 2dj1 s TRP 20 Ca -0.05 1.53 -0.01 0.00 0.02 0.00 0.00 56.10 57.59 2dj1 s TRP 20 Cb -0.18 -3.46 0.07 0.00 -1.15 0.00 0.00 33.47 28.75 2dj1 s TRP 20 CO -0.07 -2.25 0.03 0.08 0.02 0.00 0.00 176.95 174.76 2dj1 s VAL 21 N -1.72 2.84 0.46 4.03 1.01 -0.06 -1.10 120.40 125.86 2dj1 s VAL 21 Ca 0.76 -1.67 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2dj1 s VAL 21 Cb -0.29 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2dj1 s VAL 21 CO 0.36 -0.27 0.65 -0.76 0.00 0.00 0.00 175.10 175.08 2dj1 s LEU 22 N 1.17 3.57 0.28 3.92 1.43 -1.16 -3.97 118.68 123.92 2dj1 s LEU 22 Ca -0.01 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 2dj1 s LEU 22 Cb -0.20 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.15 2dj1 s LEU 22 CO -0.03 -0.82 0.69 0.54 0.23 0.00 0.00 176.35 176.96 2dj1 s ASN 23 N -4.31 -0.23 0.10 2.29 4.22 -1.26 -4.64 114.94 111.11 2dj1 s ASN 23 Ca 0.52 -0.67 0.06 0.00 -2.14 0.00 0.00 52.86 50.63 2dj1 s ASN 23 Cb -0.10 0.72 0.34 0.00 1.28 0.00 0.00 41.25 43.49 2dj1 s ASN 23 CO 0.36 -1.34 1.15 0.47 -2.04 0.00 0.00 177.10 175.70 2dj1 n ASP 24 N -0.49 0.16 -0.00 3.54 9.92 -1.26 0.24 116.55 128.66 2dj1 n ASP 24 Ca -0.04 0.54 0.04 0.00 -0.53 0.00 0.00 54.79 54.79 2dj1 n ASP 24 Cb 0.59 -0.55 -0.12 0.00 -0.64 0.00 0.00 41.12 40.40 2dj1 n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dj1 n GLY 25 N -1.40 -1.11 0.11 0.44 0.00 -1.26 -4.41 105.19 97.56 2dj1 n GLY 25 Ca -0.00 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.59 1.17 0.25 1.61 0.23 0.29 -4.73 115.26 111.49 2dj1 n ASN 26 Ca -0.11 -2.00 -0.15 0.00 -0.53 0.00 0.00 54.58 51.79 2dj1 n ASN 26 Cb 0.77 -0.14 -0.08 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 -0.56 0.05 -2.53 3.57 0.29 -1.60 116.94 116.17 2dj1 h PHE 27 Ca 0.00 -0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.22 2dj1 h PHE 27 Cb 0.92 0.18 0.02 0.00 2.79 0.00 0.00 35.95 39.87 2dj1 h PHE 27 CO 0.02 -0.28 -1.11 0.22 -2.23 0.00 0.00 178.31 174.93 2dj1 h ASP 28 N -0.72 0.77 -0.82 0.41 1.82 -1.88 -2.75 116.42 113.24 2dj1 h ASP 28 Ca -0.06 -0.66 0.12 0.00 -0.39 0.00 0.00 57.03 56.03 2dj1 h ASP 28 Cb 0.52 -0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.23 2dj1 h ASP 28 CO 0.10 1.47 0.54 0.78 -1.61 0.00 0.00 179.24 180.52 2dj1 h ASN 29 N 0.29 0.63 0.10 2.28 4.21 -1.84 0.89 115.58 122.14 2dj1 h ASN 29 Ca -0.14 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.39 2dj1 h ASN 29 Cb 1.77 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.87 2dj1 h ASN 29 CO 0.21 0.36 -0.05 0.15 -1.29 0.00 0.00 177.43 176.80 2dj1 h PHE 30 N 0.69 -0.13 0.00 1.19 3.57 -1.32 -3.28 116.94 117.67 2dj1 h PHE 30 Ca 0.39 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2dj1 h PHE 30 Cb 0.57 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2dj1 h PHE 30 CO -0.00 -0.08 0.00 1.33 -2.23 0.00 0.00 178.31 177.33 2dj1 n VAL 31 N -4.63 0.71 0.42 1.41 0.24 -1.04 -3.14 118.33 112.31 2dj1 n VAL 31 Ca -0.02 0.18 -0.19 0.00 -2.04 0.00 0.00 64.34 62.27 2dj1 n VAL 31 Cb 0.05 -1.04 -0.09 0.00 -1.47 0.00 0.00 33.84 31.29 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 2.41 -1.05 0.00 2.33 0.00 0.76 -3.17 119.26 120.54 2dj1 h ALA 32 Ca 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2dj1 h ALA 32 Cb 0.07 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2dj1 h ALA 32 CO 0.00 -1.08 -0.79 -0.44 0.00 0.00 0.00 179.25 176.94 2dj1 h ASP 33 N -1.06 0.00 -3.36 0.00 5.19 -1.72 -3.45 116.42 112.02 2dj1 h ASP 33 Ca -0.11 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.75 2dj1 h ASP 33 Cb 0.81 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.27 2dj1 h ASP 33 CO 0.18 0.76 0.06 -0.54 -3.12 0.00 0.00 179.24 176.57 2dj1 s LYS 34 N -2.83 4.39 -0.17 3.56 1.02 -1.19 -4.99 119.74 119.52 2dj1 s LYS 34 Ca 0.02 0.88 -0.24 0.00 0.02 0.00 0.00 55.97 56.65 2dj1 s LYS 34 Cb 0.09 -3.33 -0.23 0.00 -0.52 0.00 0.00 37.83 33.84 2dj1 s LYS 34 CO 0.78 0.38 0.47 -0.44 -0.92 0.00 0.00 175.35 175.63 2dj1 h ASP 35 N 5.44 0.02 -3.69 2.83 5.19 -1.87 -3.43 116.42 120.91 2dj1 h ASP 35 Ca -0.45 -0.74 -0.68 0.00 -0.62 0.00 0.00 57.03 54.54 2dj1 h ASP 35 Cb 1.20 -0.01 -0.32 0.00 0.18 0.00 0.00 39.33 40.39 2dj1 h ASP 35 CO 0.69 1.29 -0.70 -0.89 -3.12 0.00 0.00 179.24 176.51 2dj1 s THR 36 N -2.31 3.12 -0.03 0.35 2.01 -1.26 -0.28 115.64 117.24 2dj1 s THR 36 Ca -0.24 -1.23 0.04 0.00 0.31 0.00 0.00 61.69 60.57 2dj1 s THR 36 Cb 0.02 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.80 2dj1 s THR 36 CO 0.64 -0.03 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.70 2dj1 s VAL 37 N 1.30 1.27 -0.20 3.82 1.01 -0.90 -4.27 120.40 122.44 2dj1 s VAL 37 Ca -0.03 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 2dj1 s VAL 37 Cb -0.19 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2dj1 s VAL 37 CO -0.01 0.37 0.50 -0.22 0.00 0.00 0.00 175.10 175.73 2dj1 s LEU 38 N -0.02 4.16 -0.09 3.92 2.96 -1.09 -0.79 118.68 127.72 2dj1 s LEU 38 Ca -0.01 0.66 0.04 0.00 -0.22 0.00 0.00 54.13 54.59 2dj1 s LEU 38 Cb -0.10 -2.67 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 2dj1 s LEU 38 CO 0.01 -0.15 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.91 2dj1 s LEU 39 N 1.52 2.19 -0.13 -0.68 1.43 -0.40 -2.19 118.68 120.43 2dj1 s LEU 39 Ca 0.23 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2dj1 s LEU 39 Cb -0.15 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.65 2dj1 s LEU 39 CO 0.09 0.18 -0.15 -0.70 0.23 0.00 0.00 176.35 176.01 2dj1 s GLU 40 N 0.20 2.29 -0.09 1.70 2.12 -1.01 -0.21 118.70 123.70 2dj1 s GLU 40 Ca -0.14 -0.57 -0.16 0.00 0.36 0.00 0.00 54.97 54.46 2dj1 s GLU 40 Cb -0.17 -2.04 -0.05 0.00 0.26 0.00 0.00 34.13 32.14 2dj1 s GLU 40 CO 0.07 -0.17 0.42 -0.06 -0.54 0.00 0.00 175.26 174.98 2dj1 s PHE 41 N 1.29 3.57 0.23 5.30 0.40 0.68 -0.73 117.98 128.72 2dj1 s PHE 41 Ca 0.01 0.86 -0.00 0.00 -0.60 0.00 0.00 56.93 57.19 2dj1 s PHE 41 Cb -0.14 -2.43 -0.04 0.00 0.51 0.00 0.00 43.02 40.93 2dj1 s PHE 41 CO -0.07 0.33 0.18 1.52 0.70 0.00 0.00 175.22 177.88 2dj1 s TYR 42 N 0.08 1.22 0.00 0.36 -0.85 -0.99 -2.32 117.35 114.84 2dj1 s TYR 42 Ca 0.23 -1.39 0.02 0.00 -0.52 0.00 0.00 57.07 55.41 2dj1 s TYR 42 Cb -0.15 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 41.64 2dj1 s TYR 42 CO 0.10 -0.71 -0.06 0.00 -1.52 0.00 0.00 175.55 173.36 2dj1 s ALA 43 N -4.01 0.48 0.13 9.51 0.00 -1.26 -3.32 121.76 123.28 2dj1 s ALA 43 Ca 0.38 -0.34 0.34 0.00 0.00 0.00 0.00 51.96 52.34 2dj1 s ALA 43 Cb 0.06 -0.09 1.39 0.00 0.00 0.00 0.00 23.12 24.48 2dj1 s ALA 43 CO 0.15 0.09 1.99 -1.00 0.00 0.00 0.00 175.76 176.99 2dj1 h PRO 44 N 5.73 0.00 0.00 0.00 0.13 -2.01 -2.82 132.00 133.03 2dj1 h PRO 44 Ca -0.29 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.67 2dj1 h PRO 44 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2dj1 h PRO 44 CO 0.48 0.01 -1.37 0.11 -0.23 0.00 0.00 178.00 177.01 2dj1 h TRP 45 N 0.00 0.00 -2.65 1.56 5.08 -2.07 -3.44 115.95 114.43 2dj1 h TRP 45 Ca -0.00 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.43 2dj1 h TRP 45 Cb 0.50 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.60 2dj1 h TRP 45 CO 0.00 0.57 1.09 0.00 -1.28 0.00 0.00 178.44 178.82 2dj1 h GLY 47 N 13.17 0.98 -1.03 0.00 0.00 -1.86 -2.69 103.07 111.65 2dj1 h GLY 47 Ca -0.27 -0.61 0.44 0.00 0.00 0.00 0.00 47.33 46.89 2dj1 h GLY 47 CO 1.22 0.57 1.09 0.45 0.00 0.00 0.00 176.54 179.87 2dj1 h HIS 48 N 0.87 0.00 -0.54 5.60 3.86 -1.95 0.98 115.15 123.96 2dj1 h HIS 48 Ca 0.18 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 2dj1 h HIS 48 Cb 0.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 2dj1 h HIS 48 CO 0.02 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.80 2dj1 h LYS 50 N 0.86 -0.13 0.00 0.00 1.57 0.85 1.95 116.57 121.67 2dj1 h LYS 50 Ca 0.16 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2dj1 h LYS 50 Cb 0.53 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2dj1 h LYS 50 CO 0.03 -0.09 0.01 1.96 -0.57 0.00 0.00 179.45 180.79 2dj1 h GLN 51 N -0.14 0.00 0.00 3.15 4.20 -1.58 -0.31 115.11 120.43 2dj1 h GLN 51 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2dj1 h GLN 51 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2dj1 h GLN 51 CO -0.43 0.00 -1.34 0.34 -0.67 0.00 0.00 178.83 176.74 2dj1 n PHE 52 N -2.75 0.00 -0.18 2.96 7.35 0.14 -4.49 117.46 120.49 2dj1 n PHE 52 Ca -0.02 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 2dj1 n PHE 52 Cb 0.07 -0.22 -0.09 0.00 0.35 0.00 0.00 39.48 39.58 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 1.61 -0.70 0.00 3.13 0.00 0.47 0.27 119.26 124.04 2dj1 h ALA 53 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dj1 h ALA 53 Cb 0.57 1.15 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2dj1 h ALA 53 CO 0.00 -0.98 0.00 -1.00 0.00 0.00 0.00 179.25 177.27 2dj1 h PRO 54 N -0.29 0.00 0.00 0.00 0.13 -1.82 -2.67 132.00 127.34 2dj1 h PRO 54 Ca 0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 2dj1 h PRO 54 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 2dj1 h PRO 54 CO -0.62 0.00 -0.58 1.49 -0.23 0.00 0.00 178.00 178.06 2dj1 h GLU 55 N 0.00 0.00 0.00 0.86 4.57 -0.89 -3.28 114.58 115.84 2dj1 h GLU 55 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dj1 h GLU 55 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2dj1 h GLU 55 CO 0.00 0.58 -0.00 -0.92 -1.18 0.00 0.00 179.01 177.49 2dj1 h TYR 56 N 0.00 -0.00 -1.52 0.92 3.20 -0.28 -3.31 116.97 115.98 2dj1 h TYR 56 Ca -0.01 -0.00 0.44 0.00 3.14 0.00 0.00 58.73 62.31 2dj1 h TYR 56 Cb 1.40 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.61 2dj1 h TYR 56 CO 0.00 0.26 1.11 1.05 -1.64 0.00 0.00 178.16 178.94 2dj1 h GLU 57 N -1.00 0.00 -0.36 1.82 4.11 -1.67 0.72 114.58 118.20 2dj1 h GLU 57 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 2dj1 h GLU 57 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2dj1 h GLU 57 CO 0.00 0.00 -0.02 0.87 0.07 0.00 0.00 179.01 179.93 2dj1 h LYS 58 N 0.00 0.65 -0.03 1.06 1.57 -1.65 -2.82 116.57 115.35 2dj1 h LYS 58 Ca 0.72 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 59.25 2dj1 h LYS 58 Cb 2.94 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 35.19 2dj1 h LYS 58 CO -0.01 0.77 -0.17 0.82 -0.57 0.00 0.00 179.45 180.29 2dj1 h ILE 59 N 0.46 1.14 0.76 1.86 2.04 0.37 -3.08 117.51 121.07 2dj1 h ILE 59 Ca 0.10 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2dj1 h ILE 59 Cb 0.49 1.32 0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2dj1 h ILE 59 CO 0.02 0.20 -0.37 0.00 0.00 0.00 0.00 178.15 178.00 2dj1 h ALA 60 N 1.78 -1.03 -0.26 1.87 0.00 -1.22 0.69 119.26 121.09 2dj1 h ALA 60 Ca 0.01 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2dj1 h ALA 60 Cb 0.34 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2dj1 h ALA 60 CO 0.02 -1.05 0.44 1.03 0.00 0.00 0.00 179.25 179.70 2dj1 h SER 61 N -1.09 0.00 0.00 0.00 0.87 -1.44 0.82 113.55 112.71 2dj1 h SER 61 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2dj1 h SER 61 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2dj1 h SER 61 CO 0.17 0.00 -0.16 0.74 -0.53 0.00 0.00 176.83 177.05 2dj1 h THR 62 N 0.00 0.00 0.00 2.23 2.02 -1.37 -3.33 112.91 112.47 2dj1 h THR 62 Ca 0.12 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2dj1 h THR 62 Cb 1.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2dj1 h THR 62 CO -0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 2dj1 n LEU 63 N -4.36 0.00 0.03 2.58 4.77 0.18 -2.25 117.00 117.95 2dj1 n LEU 63 Ca -0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 2dj1 n LEU 63 Cb 0.08 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 2dj1 n LEU 63 CO 0.03 0.00 -0.18 0.50 -1.33 0.00 0.00 177.39 176.41 2dj1 h LYS 64 N 0.00 0.00 -0.03 3.23 3.64 0.62 0.30 116.57 124.33 2dj1 h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dj1 h LYS 64 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2dj1 h LYS 64 CO 0.00 0.67 0.00 -3.47 -2.27 0.00 0.00 179.45 174.38 2dj1 n ASP 65 N -3.16 2.32 -4.45 4.20 2.03 -1.03 -4.55 116.55 111.91 2dj1 n ASP 65 Ca -0.09 -2.60 -0.29 0.00 0.52 0.00 0.00 54.79 52.33 2dj1 n ASP 65 Cb 0.97 -0.26 0.16 0.00 -0.72 0.00 0.00 41.12 41.27 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 -1.99 3.25 -0.18 1.67 4.22 -0.95 -4.86 114.94 116.09 2dj1 s ASN 66 Ca 0.19 0.63 -0.01 0.00 -2.14 0.00 0.00 52.86 51.53 2dj1 s ASN 66 Cb 0.16 -0.95 0.05 0.00 1.28 0.00 0.00 41.25 41.80 2dj1 s ASN 66 CO 0.03 -2.68 -0.02 1.51 -2.04 0.00 0.00 177.10 173.90 2dj1 s ASP 67 N -4.45 2.99 0.50 3.54 1.47 -1.26 0.79 116.67 120.25 2dj1 s ASP 67 Ca 0.68 -0.78 -0.21 0.00 1.18 0.00 0.00 52.55 53.41 2dj1 s ASP 67 Cb -0.09 -0.83 -0.07 0.00 -0.34 0.00 0.00 42.92 41.59 2dj1 s ASP 67 CO 0.53 -0.24 1.15 -2.16 0.68 0.00 0.00 175.17 175.13 2dj1 s PRO 68 N 1.68 3.59 -0.12 2.11 0.04 -1.26 -5.09 135.00 135.94 2dj1 s PRO 68 Ca -0.01 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 2dj1 s PRO 68 Cb -0.16 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2dj1 s PRO 68 CO -0.07 -0.68 1.54 -1.25 0.04 0.00 0.00 177.00 176.58 2dj1 s PRO 69 N -2.95 4.11 0.11 0.56 0.04 0.24 -5.01 135.00 132.10 2dj1 s PRO 69 Ca 0.67 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.65 2dj1 s PRO 69 Cb -0.27 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2dj1 s PRO 69 CO 0.31 -0.91 0.26 0.42 0.04 0.00 0.00 177.00 177.12 2dj1 s ILE 70 N 4.17 5.34 -0.41 0.56 1.01 0.11 -4.95 121.20 127.02 2dj1 s ILE 70 Ca 0.68 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 2dj1 s ILE 70 Cb -0.28 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.56 2dj1 s ILE 70 CO 0.26 0.02 0.26 0.00 0.00 0.00 0.00 174.94 175.47 2dj1 s ALA 71 N -1.64 3.32 0.11 9.38 0.00 -1.26 -3.51 121.76 128.16 2dj1 s ALA 71 Ca 0.35 -1.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.10 2dj1 s ALA 71 Cb -0.12 -2.69 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 2dj1 s ALA 71 CO 0.28 -1.56 0.72 0.08 0.00 0.00 0.00 175.76 175.28 2dj1 s VAL 72 N 1.51 4.55 0.13 0.00 1.01 -1.26 -2.66 120.40 123.68 2dj1 s VAL 72 Ca 0.03 1.56 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 2dj1 s VAL 72 Cb -0.22 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.12 2dj1 s VAL 72 CO 0.05 0.49 0.38 0.00 0.00 0.00 0.00 175.10 176.01 2dj1 s ALA 73 N -0.85 -0.80 0.07 5.51 0.00 -0.93 -2.19 121.76 122.57 2dj1 s ALA 73 Ca 0.35 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.22 2dj1 s ALA 73 Cb -0.22 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2dj1 s ALA 73 CO 0.24 -0.64 -0.22 -1.59 0.00 0.00 0.00 175.76 173.54 2dj1 s LYS 74 N -3.82 1.37 -0.01 0.00 -2.85 -0.26 -2.40 119.74 111.76 2dj1 s LYS 74 Ca 0.04 -1.09 0.03 0.00 -1.00 0.00 0.00 55.97 53.96 2dj1 s LYS 74 Cb 0.02 -1.59 -0.01 0.00 -2.06 0.00 0.00 37.83 34.19 2dj1 s LYS 74 CO -0.11 0.39 -0.11 0.42 0.10 0.00 0.00 175.35 176.05 2dj1 s ILE 75 N -0.95 0.88 -0.95 3.79 1.01 0.10 -2.97 121.20 122.12 2dj1 s ILE 75 Ca 0.09 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 2dj1 s ILE 75 Cb -0.09 -0.75 0.13 0.00 0.01 0.00 0.00 42.46 41.75 2dj1 s ILE 75 CO 0.03 0.26 1.17 -1.81 0.00 0.00 0.00 174.94 174.58 2dj1 s ASP 76 N -0.16 6.65 0.39 3.58 1.01 -1.26 -2.36 116.67 124.51 2dj1 s ASP 76 Ca 0.03 -2.07 0.23 0.00 0.71 0.00 0.00 52.55 51.45 2dj1 s ASP 76 Cb -0.05 -2.41 1.34 0.00 1.01 0.00 0.00 42.92 42.80 2dj1 s ASP 76 CO -0.00 -1.07 1.60 0.00 0.21 0.00 0.00 175.17 175.91 2dj1 h ALA 77 N 8.78 2.34 -0.91 5.23 0.00 -1.80 0.92 119.26 133.83 2dj1 h ALA 77 Ca 0.17 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.40 2dj1 h ALA 77 Cb 1.01 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2dj1 h ALA 77 CO 1.14 -1.05 0.54 1.79 0.00 0.00 0.00 179.25 181.66 2dj1 h THR 78 N 0.08 0.88 0.12 0.00 1.35 -1.90 -2.23 112.91 111.21 2dj1 h THR 78 Ca 0.83 -0.29 -0.30 0.00 -0.55 0.00 0.00 66.41 66.09 2dj1 h THR 78 Cb 2.29 -0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2dj1 h THR 78 CO -0.62 0.16 -1.49 -1.28 -0.25 0.00 0.00 175.52 172.03 2dj1 h SER 79 N 0.85 0.41 -3.33 5.36 0.87 0.41 -3.43 113.55 114.69 2dj1 h SER 79 Ca 0.45 -0.54 -0.68 0.00 -1.23 0.00 0.00 61.79 59.79 2dj1 h SER 79 Cb 0.47 -0.13 -0.18 0.00 -0.44 0.00 0.00 62.40 62.12 2dj1 h SER 79 CO -0.28 1.45 0.03 0.00 -0.53 0.00 0.00 176.83 177.50 2dj1 s ALA 80 N -2.62 3.39 -0.19 6.23 0.00 -0.18 -4.91 121.76 123.47 2dj1 s ALA 80 Ca -0.08 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.00 2dj1 s ALA 80 Cb 0.07 -3.31 -0.20 0.00 0.00 0.00 0.00 23.12 19.67 2dj1 s ALA 80 CO 0.86 -1.93 0.32 0.77 0.00 0.00 0.00 175.76 175.78 2dj1 h SER 81 N 8.95 0.00 0.33 0.00 0.02 -1.84 -3.17 113.55 117.83 2dj1 h SER 81 Ca -0.27 -0.60 -0.00 0.00 -0.84 0.00 0.00 61.79 60.08 2dj1 h SER 81 Cb 1.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2dj1 h SER 81 CO 0.94 1.39 -0.33 -0.03 -1.14 0.00 0.00 176.83 177.66 2dj1 h MET 82 N -1.00 -0.66 -0.38 3.45 1.85 -1.93 -1.59 114.93 114.67 2dj1 h MET 82 Ca -0.28 0.05 0.06 0.00 -0.61 0.00 0.00 59.70 58.91 2dj1 h MET 82 Cb 1.24 0.15 -0.05 0.00 0.43 0.00 0.00 31.60 33.37 2dj1 h MET 82 CO -0.17 -0.44 0.08 -0.07 -0.40 0.00 0.00 176.91 175.91 2dj1 h LEU 83 N -0.69 0.02 -0.46 3.39 3.38 -1.97 -1.05 115.31 117.93 2dj1 h LEU 83 Ca -0.02 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2dj1 h LEU 83 Cb 0.62 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 2dj1 h LEU 83 CO -0.06 0.05 -0.12 0.00 0.09 0.00 0.00 178.44 178.39 2dj1 h ALA 84 N 1.28 0.30 -0.15 1.53 0.00 -1.47 0.48 119.26 121.23 2dj1 h ALA 84 Ca 0.18 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2dj1 h ALA 84 Cb 0.21 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dj1 h ALA 84 CO -0.23 -0.45 -0.14 0.77 0.00 0.00 0.00 179.25 179.20 2dj1 h SER 85 N -0.01 0.22 0.07 0.00 0.02 -0.76 0.15 113.55 113.25 2dj1 h SER 85 Ca 0.22 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2dj1 h SER 85 Cb 0.34 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2dj1 h SER 85 CO -0.48 0.39 -0.30 0.50 -1.14 0.00 0.00 176.83 175.80 2dj1 h LYS 86 N 0.22 -0.47 -0.83 3.45 3.64 0.40 -1.66 116.57 121.32 2dj1 h LYS 86 Ca 0.05 0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 2dj1 h LYS 86 Cb 0.39 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.21 2dj1 h LYS 86 CO 0.02 -0.32 0.23 1.19 -2.27 0.00 0.00 179.45 178.30 2dj1 n PHE 87 N -5.40 1.92 -4.45 1.91 3.01 -1.03 -4.90 117.46 108.51 2dj1 n PHE 87 Ca -0.06 -0.99 -0.39 0.00 1.01 0.00 0.00 57.45 57.02 2dj1 n PHE 87 Cb 0.32 -0.58 -0.08 0.00 -0.01 0.00 0.00 39.48 39.12 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 -0.08 -1.11 -4.55 4.37 -0.08 -0.63 -4.74 116.55 109.74 2dj1 n ASP 88 Ca 0.32 -1.24 -0.35 0.00 -1.51 0.00 0.00 54.79 52.01 2dj1 n ASP 88 Cb 1.16 -1.57 -0.03 0.00 2.34 0.00 0.00 41.12 43.01 2dj1 n ASP 88 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dj1 s VAL 89 N -3.51 3.20 -0.31 5.18 1.01 0.46 -4.79 120.40 121.64 2dj1 s VAL 89 Ca 0.62 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.72 2dj1 s VAL 89 Cb -0.36 -3.51 0.46 0.00 0.00 0.00 0.00 36.38 32.97 2dj1 s VAL 89 CO 1.01 -0.49 1.24 -1.54 0.00 0.00 0.00 175.10 175.32 2dj1 n SER 90 N 14.57 4.96 0.00 3.32 3.41 -1.26 -4.85 113.62 133.77 2dj1 n SER 90 Ca 0.30 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 2dj1 n SER 90 Cb 0.52 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2dj1 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj1 n GLY 91 N -0.74 -0.34 3.54 5.00 0.00 -1.26 -5.18 105.19 106.20 2dj1 n GLY 91 Ca 0.44 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.52 0.57 1.61 1.51 -1.26 -4.26 117.35 113.00 2dj1 s TYR 92 Ca 0.00 0.84 -0.18 0.00 -1.01 0.00 0.00 57.07 56.72 2dj1 s TYR 92 Cb 0.00 0.44 -0.05 0.00 -0.11 0.00 0.00 41.96 42.25 2dj1 s TYR 92 CO 0.00 -0.51 1.12 -1.25 -1.11 0.00 0.00 175.55 173.80 2dj1 s PRO 93 N -1.39 3.23 -0.09 -1.71 0.04 -1.26 -4.98 135.00 128.84 2dj1 s PRO 93 Ca -0.06 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2dj1 s PRO 93 Cb -0.00 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2dj1 s PRO 93 CO 0.04 -0.94 0.00 0.99 0.04 0.00 0.00 177.00 177.14 2dj1 s THR 94 N -1.90 0.43 -0.11 1.26 2.01 -0.98 -5.03 115.64 111.31 2dj1 s THR 94 Ca 0.71 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 2dj1 s THR 94 Cb -0.23 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2dj1 s THR 94 CO 0.30 0.20 0.05 -0.63 -0.69 0.00 0.00 174.62 173.85 2dj1 s ILE 95 N 1.94 4.69 0.06 1.82 1.01 -1.26 -0.23 121.20 129.23 2dj1 s ILE 95 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 2dj1 s ILE 95 Cb -0.13 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2dj1 s ILE 95 CO -0.06 0.59 -0.02 -0.54 0.00 0.00 0.00 174.94 174.91 2dj1 s LYS 96 N -0.73 0.65 -0.08 2.79 -0.14 0.70 -3.65 119.74 119.28 2dj1 s LYS 96 Ca 0.12 -1.25 0.01 0.00 -1.36 0.00 0.00 55.97 53.50 2dj1 s LYS 96 Cb -0.12 0.20 0.02 0.00 -1.68 0.00 0.00 37.83 36.25 2dj1 s LYS 96 CO 0.02 -0.12 -0.11 0.42 -0.76 0.00 0.00 175.35 174.81 2dj1 s ILE 97 N -3.93 1.08 -0.23 2.17 1.01 -1.17 -1.27 121.20 118.86 2dj1 s ILE 97 Ca 0.09 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 2dj1 s ILE 97 Cb 0.08 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2dj1 s ILE 97 CO -0.09 0.35 0.42 -0.22 0.00 0.00 0.00 174.94 175.40 2dj1 s LEU 98 N 0.99 4.11 -0.38 2.97 2.96 0.03 -1.39 118.68 127.97 2dj1 s LEU 98 Ca -0.09 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 2dj1 s LEU 98 Cb -0.15 -2.52 0.11 0.00 0.50 0.00 0.00 46.19 44.12 2dj1 s LEU 98 CO -0.00 -0.14 0.12 -0.75 -1.32 0.00 0.00 176.35 174.26 2dj1 s LYS 99 N 1.65 1.71 -1.06 1.98 2.47 0.58 -2.12 119.74 124.94 2dj1 s LYS 99 Ca 0.19 -1.89 0.00 0.00 -1.56 0.00 0.00 55.97 52.71 2dj1 s LYS 99 Cb -0.15 -3.37 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 2dj1 s LYS 99 CO 0.09 -1.00 0.00 1.63 0.16 0.00 0.00 175.35 176.23 2dj1 n LYS 100 N 4.34 -1.79 0.00 4.03 5.02 0.62 0.32 118.16 130.69 2dj1 n LYS 100 Ca 0.02 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2dj1 n LYS 100 Cb 0.41 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.42 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 -0.50 1.14 3.74 0.72 0.00 -1.26 -5.10 105.19 103.92 2dj1 n GLY 101 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2dj1 n GLY 101 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dj1 s GLN 102 N -0.69 3.00 -0.27 1.61 -1.52 0.15 -5.09 119.66 116.85 2dj1 s GLN 102 Ca 0.00 -0.47 -0.14 0.00 -1.95 0.00 0.00 55.36 52.80 2dj1 s GLN 102 Cb 0.00 -2.82 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 2dj1 s GLN 102 CO 0.00 0.67 0.33 0.00 -0.25 0.00 0.00 175.29 176.04 2dj1 s ALA 103 N -1.07 3.56 -0.44 6.09 0.00 -1.26 -0.31 121.76 128.33 2dj1 s ALA 103 Ca 0.19 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 2dj1 s ALA 103 Cb -0.12 -2.65 0.12 0.00 0.00 0.00 0.00 23.12 20.47 2dj1 s ALA 103 CO 0.09 -0.61 0.26 0.08 0.00 0.00 0.00 175.76 175.59 2dj1 s VAL 104 N 1.94 3.60 0.21 0.00 1.01 -0.48 -5.00 120.40 121.67 2dj1 s VAL 104 Ca 0.13 -2.02 -0.32 0.00 0.00 0.00 0.00 61.98 59.77 2dj1 s VAL 104 Cb -0.16 -3.43 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 2dj1 s VAL 104 CO 0.10 -0.73 1.69 -0.67 0.00 0.00 0.00 175.10 175.49 2dj1 n ASP 105 N 4.64 3.82 -4.71 3.32 -0.08 -1.26 -3.05 116.55 119.22 2dj1 n ASP 105 Ca -0.03 1.07 -0.35 0.00 -1.51 0.00 0.00 54.79 53.97 2dj1 n ASP 105 Cb 0.41 -1.55 -0.08 0.00 2.34 0.00 0.00 41.12 42.24 2dj1 n ASP 105 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2dj1 s TYR 106 N 1.04 3.36 -0.16 -0.67 6.14 -1.24 -5.00 117.35 120.82 2dj1 s TYR 106 Ca 0.75 0.25 -0.04 0.00 0.64 0.00 0.00 57.07 58.67 2dj1 s TYR 106 Cb -0.54 -2.05 0.08 0.00 0.42 0.00 0.00 41.96 39.87 2dj1 s TYR 106 CO 0.34 0.33 0.20 0.34 0.64 0.00 0.00 175.55 177.41 2dj1 s ASP 107 N -0.01 1.13 0.00 4.32 2.15 -1.26 -4.85 116.67 118.15 2dj1 s ASP 107 Ca 0.08 0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.06 2dj1 s ASP 107 Cb -0.12 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 2dj1 s ASP 107 CO 0.00 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 2dj1 n GLY 108 N 5.32 -1.08 3.55 2.66 0.00 -1.26 -5.07 105.19 109.31 2dj1 n GLY 108 Ca -0.05 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 2dj1 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj1 s SER 109 N -4.00 5.79 -0.83 1.61 0.01 -1.26 -4.90 113.70 110.12 2dj1 s SER 109 Ca 0.00 -0.57 -0.23 0.00 1.31 0.00 0.00 55.95 56.46 2dj1 s SER 109 Cb 0.00 -2.56 -0.20 0.00 0.21 0.00 0.00 66.02 63.48 2dj1 s SER 109 CO 0.00 -2.10 2.43 -1.14 0.41 0.00 0.00 173.24 172.84 2dj1 n ARG 110 N 9.09 0.37 -4.07 12.44 0.63 -1.26 -4.64 116.66 129.21 2dj1 n ARG 110 Ca 0.24 -0.19 -0.09 0.00 -0.92 0.00 0.00 57.85 56.89 2dj1 n ARG 110 Cb 0.50 -2.31 -0.09 0.00 0.45 0.00 0.00 32.46 31.01 2dj1 n ARG 110 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2dj1 s THR 111 N 8.70 0.14 0.34 5.15 -4.23 -1.26 -5.00 115.64 119.48 2dj1 s THR 111 Ca 1.17 -1.73 0.23 0.00 -1.18 0.00 0.00 61.69 60.18 2dj1 s THR 111 Cb -0.65 -1.76 0.24 0.00 1.34 0.00 0.00 72.50 71.66 2dj1 s THR 111 CO 0.37 -0.65 1.96 -0.61 -0.54 0.00 0.00 174.62 175.15 2dj1 h GLN 112 N 2.91 0.00 0.14 3.99 4.15 -1.91 0.12 115.11 124.51 2dj1 h GLN 112 Ca -0.34 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 58.75 2dj1 h GLN 112 Cb 1.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 2dj1 h GLN 112 CO 0.60 0.20 -1.65 1.05 -1.93 0.00 0.00 178.83 177.09 2dj1 h GLU 113 N 0.00 0.29 0.16 1.69 4.11 -1.96 -3.13 114.58 115.74 2dj1 h GLU 113 Ca -0.00 -0.50 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 2dj1 h GLU 113 Cb 0.50 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2dj1 h GLU 113 CO 0.03 1.17 -0.08 0.93 0.07 0.00 0.00 179.01 181.13 2dj1 h GLU 114 N 0.08 -0.21 -0.87 1.06 4.39 -1.77 -1.50 114.58 115.76 2dj1 h GLU 114 Ca -0.30 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.57 2dj1 h GLU 114 Cb 2.05 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 30.68 2dj1 h GLU 114 CO 0.16 0.09 0.57 0.82 -1.16 0.00 0.00 179.01 179.49 2dj1 h ILE 115 N -0.99 0.81 0.00 3.13 2.04 -0.96 0.89 117.51 122.43 2dj1 h ILE 115 Ca -0.02 -0.21 -0.18 0.00 1.00 0.00 0.00 64.86 65.45 2dj1 h ILE 115 Cb 0.39 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2dj1 h ILE 115 CO 0.04 0.11 -0.84 0.58 0.00 0.00 0.00 178.15 178.04 2dj1 h VAL 116 N 0.63 1.58 0.35 1.67 2.07 -1.63 -2.89 116.25 118.03 2dj1 h VAL 116 Ca 0.44 -2.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 2dj1 h VAL 116 Cb 0.78 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2dj1 h VAL 116 CO -0.19 0.82 -0.17 0.00 0.02 0.00 0.00 177.57 178.05 2dj1 h ALA 117 N 1.16 -0.47 0.50 1.67 0.00 0.21 -2.34 119.26 119.99 2dj1 h ALA 117 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2dj1 h ALA 117 Cb 1.51 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2dj1 h ALA 117 CO 0.11 -0.52 -0.34 -0.22 0.00 0.00 0.00 179.25 178.28 2dj1 h LYS 118 N -0.95 -0.77 -0.72 0.00 1.63 -1.24 -1.07 116.57 113.44 2dj1 h LYS 118 Ca -0.05 0.05 0.13 0.00 -0.85 0.00 0.00 60.65 59.94 2dj1 h LYS 118 Cb 0.52 0.17 -0.13 0.00 -0.60 0.00 0.00 32.23 32.19 2dj1 h LYS 118 CO 0.08 -0.51 -0.28 0.28 -3.45 0.00 0.00 179.45 175.57 2dj1 h VAL 119 N -0.80 0.17 -0.19 2.00 2.07 -1.65 0.97 116.25 118.82 2dj1 h VAL 119 Ca -0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2dj1 h VAL 119 Cb 0.65 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2dj1 h VAL 119 CO 0.04 0.00 0.14 0.03 0.02 0.00 0.00 177.57 177.80 2dj1 h ARG 120 N -0.07 0.00 0.02 1.57 3.08 -1.29 -0.32 114.38 117.38 2dj1 h ARG 120 Ca 0.31 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 2dj1 h ARG 120 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2dj1 h ARG 120 CO -0.77 0.00 -0.19 1.49 -1.07 0.00 0.00 179.97 179.43 2dj1 h GLU 121 N 0.00 0.09 -0.28 0.04 4.57 0.21 -3.32 114.58 115.90 2dj1 h GLU 121 Ca 0.09 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2dj1 h GLU 121 Cb 0.37 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 2dj1 h GLU 121 CO -0.00 0.98 0.14 0.28 -1.18 0.00 0.00 179.01 179.23 2dj1 h VAL 122 N -0.73 1.00 -1.22 0.32 2.07 -0.01 -1.91 116.25 115.77 2dj1 h VAL 122 Ca -0.03 -0.10 0.35 0.00 0.82 0.00 0.00 66.70 67.74 2dj1 h VAL 122 Cb 1.06 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 2dj1 h VAL 122 CO 0.04 0.05 0.85 0.77 0.02 0.00 0.00 177.57 179.30 2dj1 h SER 123 N 0.30 0.14 -2.98 0.57 4.64 -1.20 -3.42 113.55 111.60 2dj1 h SER 123 Ca 0.11 0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.89 2dj1 h SER 123 Cb 0.03 0.02 0.11 0.00 -0.31 0.00 0.00 62.40 62.25 2dj1 h SER 123 CO -0.07 0.00 0.32 0.00 -0.87 0.00 0.00 176.83 176.21 2dj1 n GLN 124 N -4.33 1.72 0.23 4.77 1.13 -0.72 -4.88 117.38 115.31 2dj1 n GLN 124 Ca 0.28 0.61 0.10 0.00 -1.94 0.00 0.00 57.00 56.05 2dj1 n GLN 124 Cb 1.23 -2.11 0.52 0.00 0.11 0.00 0.00 30.24 29.99 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 2.17 0.00 0.23 -1.09 0.13 -1.87 -3.08 132.00 128.49 2dj1 h PRO 125 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.36 2dj1 h PRO 125 Cb 1.31 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.47 2dj1 h PRO 125 CO 0.61 0.21 -1.50 -0.44 -0.23 0.00 0.00 178.00 176.65 2dj1 h ASP 126 N 0.00 0.75 -2.59 1.44 3.32 -1.91 -3.46 116.42 113.97 2dj1 h ASP 126 Ca -0.00 -0.85 -0.59 0.00 0.02 0.00 0.00 57.03 55.61 2dj1 h ASP 126 Cb 0.65 -0.25 0.17 0.00 0.22 0.00 0.00 39.33 40.12 2dj1 h ASP 126 CO 0.03 1.68 -0.59 1.87 -1.72 0.00 0.00 179.24 180.50 2dj1 n TRP 127 N -3.67 -1.22 -3.89 4.55 -0.00 -1.17 -5.01 117.44 107.05 2dj1 n TRP 127 Ca -0.17 0.48 -0.11 0.00 -0.00 0.00 0.00 57.50 57.70 2dj1 n TRP 127 Cb 1.09 -1.89 -0.11 0.00 -0.00 0.00 0.00 31.31 30.40 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 -1.74 0.07 0.47 5.87 -4.23 -1.26 -4.98 115.64 109.83 2dj1 s THR 128 Ca 0.65 -0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 60.35 2dj1 s THR 128 Cb -0.49 -0.32 -0.07 0.00 1.34 0.00 0.00 72.50 72.96 2dj1 s THR 128 CO 0.58 -0.32 1.16 -2.16 -0.54 0.00 0.00 174.62 173.34 2dj1 s PRO 129 N -1.06 3.72 0.51 3.99 0.04 -1.26 -5.01 135.00 135.92 2dj1 s PRO 129 Ca -0.12 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 2dj1 s PRO 129 Cb -0.07 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 2dj1 s PRO 129 CO 0.01 -0.58 1.14 -1.25 0.04 0.00 0.00 177.00 176.36 2dj1 s PRO 130 N -2.75 3.54 -1.14 0.56 0.04 -1.26 -4.91 135.00 129.08 2dj1 s PRO 130 Ca 0.64 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 63.13 2dj1 s PRO 130 Cb -0.28 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 2dj1 s PRO 130 CO 0.34 -0.71 1.94 -1.25 0.04 0.00 0.00 177.00 177.35 2dj1 s PRO 131 N -3.03 2.49 -1.02 0.56 0.04 -1.26 -4.88 135.00 127.90 2dj1 s PRO 131 Ca 0.69 -1.03 -0.15 0.00 0.04 0.00 0.00 61.00 60.55 2dj1 s PRO 131 Cb -0.26 -5.21 0.18 0.00 0.04 0.00 0.00 34.50 29.25 2dj1 s PRO 131 CO 0.30 -3.91 1.15 -2.00 0.04 0.00 0.00 177.00 172.58 2dj1 s GLU 132 N 6.57 3.84 0.26 4.56 2.56 -1.26 -5.02 118.70 130.21 2dj1 s GLU 132 Ca 0.69 -2.37 -0.30 0.00 0.00 0.00 0.00 54.97 52.98 2dj1 s GLU 132 Cb -0.02 -4.81 -0.13 0.00 2.00 0.00 0.00 34.13 31.17 2dj1 s GLU 132 CO 0.11 -1.60 1.41 1.55 -0.56 0.00 0.00 175.26 176.18 2dj1 n VAL 133 N 4.50 1.14 -3.70 3.70 3.14 -1.26 -5.00 118.33 120.87 2dj1 n VAL 133 Ca 0.26 -0.29 -0.11 0.00 -2.96 0.00 0.00 64.34 61.24 2dj1 n VAL 133 Cb 0.45 -1.56 -0.10 0.00 -1.06 0.00 0.00 33.84 31.57 2dj1 n VAL 133 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2dj1 s THR 134 N -0.23 -0.02 0.77 1.55 -1.32 -1.26 -5.17 115.64 109.96 2dj1 s THR 134 Ca 0.65 0.06 -0.10 0.00 -1.21 0.00 0.00 61.69 61.10 2dj1 s THR 134 Cb -0.61 -0.65 0.07 0.00 -1.51 0.00 0.00 72.50 69.79 2dj1 s THR 134 CO 0.52 0.03 1.11 -0.44 -2.21 0.00 0.00 174.62 173.62 2dj1 s SER 135 N 1.17 4.64 0.58 8.08 0.01 -1.26 -5.08 113.70 121.83 2dj1 s SER 135 Ca -0.07 0.65 -0.01 0.00 1.31 0.00 0.00 55.95 57.83 2dj1 s SER 135 Cb -0.07 -1.21 0.03 0.00 0.21 0.00 0.00 66.02 64.98 2dj1 s SER 135 CO -0.11 -1.78 0.82 -0.83 0.41 0.00 0.00 173.24 171.76 2dj1 s GLY 136 N -4.55 1.76 0.03 3.44 0.00 -1.26 -5.04 107.32 101.70 2dj1 s GLY 136 Ca 0.61 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.85 2dj1 s GLY 136 CO 0.47 -0.88 1.43 2.56 0.00 0.00 0.00 173.10 176.68 2dj1 s PRO 137 N -4.86 4.28 0.36 2.90 0.04 -1.26 -4.94 135.00 131.52 2dj1 s PRO 137 Ca 0.57 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.49 2dj1 s PRO 137 Cb -0.10 -3.52 -0.12 0.00 0.04 0.00 0.00 34.50 30.80 2dj1 s PRO 137 CO 0.40 -0.57 -0.04 0.43 0.04 0.00 0.00 177.00 177.26 2dj1 n SER 138 N 5.17 -2.58 -4.55 6.66 7.64 -1.26 -4.57 113.62 120.12 2dj1 n SER 138 Ca 0.13 0.54 -0.30 0.00 1.01 0.00 0.00 58.87 60.25 2dj1 n SER 138 Cb 0.43 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 2dj1 n SER 138 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dj1 s SER 139 N -0.76 4.33 0.00 6.43 0.01 -1.26 -5.33 113.70 117.12 2dj1 s SER 139 Ca 0.44 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2dj1 s SER 139 Cb -0.42 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.30 2dj1 s SER 139 CO 0.49 -3.13 0.00 0.61 0.41 0.00 0.00 173.24 171.63