#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djt s SER 2 N 0.00 1.24 0.26 1.61 1.04 -1.26 -5.04 113.70 111.55 2djt s SER 2 Ca 0.00 -1.21 -0.11 0.00 0.48 0.00 0.00 55.95 55.11 2djt s SER 2 Cb 0.00 0.12 0.38 0.00 0.10 0.00 0.00 66.02 66.62 2djt s SER 2 CO 0.00 -0.59 1.56 -1.28 0.98 0.00 0.00 173.24 173.91 2djt h SER 3 N 2.63 -1.03 -3.32 7.02 0.87 -2.05 -3.41 113.55 114.26 2djt h SER 3 Ca -0.37 0.29 -0.36 0.00 -1.23 0.00 0.00 61.79 60.12 2djt h SER 3 Cb 1.21 0.64 0.17 0.00 -0.44 0.00 0.00 62.40 63.97 2djt h SER 3 CO 0.62 -0.31 0.21 0.61 -0.53 0.00 0.00 176.83 177.43 2djt n GLY 4 N -1.57 -2.24 3.76 5.77 0.00 -1.26 -5.00 105.19 104.64 2djt n GLY 4 Ca 0.14 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 2djt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djt s SER 5 N -4.55 7.43 -0.27 1.61 1.04 -1.26 -5.04 113.70 112.67 2djt s SER 5 Ca 0.64 2.10 -0.03 0.00 0.48 0.00 0.00 55.95 59.15 2djt s SER 5 Cb -0.04 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.49 2djt s SER 5 CO 0.47 -0.01 -0.03 -0.44 0.98 0.00 0.00 173.24 174.21 2djt s SER 6 N -1.06 4.56 0.38 7.02 0.01 -1.26 -4.99 113.70 118.36 2djt s SER 6 Ca 0.43 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 56.83 2djt s SER 6 Cb -0.29 -1.71 -0.00 0.00 0.21 0.00 0.00 66.02 64.23 2djt s SER 6 CO 0.36 -0.16 0.54 -0.83 0.41 0.00 0.00 173.24 173.56 2djt s GLY 7 N 1.34 1.62 -0.73 3.44 0.00 -1.26 -5.07 107.32 106.66 2djt s GLY 7 Ca -0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 2djt s GLY 7 CO -0.03 -1.24 0.58 1.20 0.00 0.00 0.00 173.10 173.62 2djt s GLN 8 N -4.31 2.91 0.40 2.90 1.11 -1.26 -5.07 119.66 116.34 2djt s GLN 8 Ca 0.47 -2.75 -0.04 0.00 0.01 0.00 0.00 55.36 53.04 2djt s GLN 8 Cb -0.10 -3.88 -0.04 0.00 -1.01 0.00 0.00 33.01 27.98 2djt s GLN 8 CO 0.33 -1.21 0.68 0.00 0.01 0.00 0.00 175.29 175.10 2djt s ALA 9 N -0.43 3.51 -0.23 6.09 0.00 -1.26 -5.04 121.76 124.40 2djt s ALA 9 Ca 0.20 -0.58 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 2djt s ALA 9 Cb -0.15 -2.43 -0.17 0.00 0.00 0.00 0.00 23.12 20.37 2djt s ALA 9 CO -0.07 -0.12 0.00 0.45 0.00 0.00 0.00 175.76 176.03 2djt n SER 10 N -1.78 1.92 0.06 0.00 2.88 -1.26 -4.51 113.62 110.94 2djt n SER 10 Ca -0.01 0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 57.77 2djt n SER 10 Cb 0.55 -0.88 -0.05 0.00 -0.75 0.00 0.00 64.21 63.08 2djt n SER 10 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2djt h GLY 11 N -0.70 -0.19 -4.98 0.46 0.00 -1.97 -3.42 103.07 92.27 2djt h GLY 11 Ca -0.49 0.16 -0.66 0.00 0.00 0.00 0.00 47.33 46.33 2djt h GLY 11 CO -0.26 -0.13 -0.61 0.30 0.00 0.00 0.00 176.54 175.83 2djt s HIS 12 N -6.14 3.17 0.16 5.60 3.76 -1.26 -4.03 115.29 116.55 2djt s HIS 12 Ca -0.14 0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 54.90 2djt s HIS 12 Cb 0.08 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 2djt s HIS 12 CO 0.66 0.50 0.08 -0.59 -0.85 0.00 0.00 174.74 174.55 2djt s PHE 13 N -1.12 1.02 0.28 1.40 -0.71 -0.32 -4.34 117.98 114.19 2djt s PHE 13 Ca 0.20 -1.27 0.10 0.00 -1.04 0.00 0.00 56.93 54.92 2djt s PHE 13 Cb -0.12 -0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 41.11 2djt s PHE 13 CO 0.11 -0.53 -0.03 -1.54 -1.34 0.00 0.00 175.22 171.88 2djt s SER 14 N -3.11 4.31 -0.15 1.98 1.04 -1.26 -1.16 113.70 115.36 2djt s SER 14 Ca 0.30 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.97 2djt s SER 14 Cb 0.07 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.52 2djt s SER 14 CO 0.06 -0.04 -0.20 -0.69 0.98 0.00 0.00 173.24 173.36 2djt s VAL 15 N -2.39 1.93 -0.12 5.02 1.01 -0.40 -4.93 120.40 120.52 2djt s VAL 15 Ca 0.32 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2djt s VAL 15 Cb -0.05 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2djt s VAL 15 CO 0.19 0.52 -0.07 -1.61 0.00 0.00 0.00 175.10 174.13 2djt s GLU 16 N 1.03 3.30 0.07 2.72 2.02 -1.26 -3.21 118.70 123.37 2djt s GLU 16 Ca -0.03 -0.57 -0.22 0.00 0.02 0.00 0.00 54.97 54.17 2djt s GLU 16 Cb -0.15 -2.74 0.05 0.00 0.10 0.00 0.00 34.13 31.40 2djt s GLU 16 CO -0.06 0.37 0.52 -0.51 0.02 0.00 0.00 175.26 175.61 2djt s LEU 17 N -0.02 -0.10 -0.23 1.80 1.43 -1.22 -4.98 118.68 115.36 2djt s LEU 17 Ca -0.01 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2djt s LEU 17 Cb -0.14 2.16 0.03 0.00 0.03 0.00 0.00 46.19 48.28 2djt s LEU 17 CO 0.03 -0.76 -0.11 -0.69 0.23 0.00 0.00 176.35 175.05 2djt s VAL 18 N -2.72 2.52 0.13 -1.59 1.01 -1.26 -1.97 120.40 116.51 2djt s VAL 18 Ca -0.04 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 2djt s VAL 18 Cb -0.00 -2.26 -0.13 0.00 0.00 0.00 0.00 36.38 33.99 2djt s VAL 18 CO -0.04 0.26 0.43 0.54 0.00 0.00 0.00 175.10 176.29 2djt n ARG 19 N 4.61 0.00 0.00 2.72 1.74 -1.11 -4.89 116.66 119.73 2djt n ARG 19 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2djt n ARG 19 Cb 0.47 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 2djt n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2djt n GLY 20 N 1.41 0.44 3.50 -0.13 0.00 -0.93 -4.94 105.19 104.54 2djt n GLY 20 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2djt n GLY 20 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2djt n TYR 21 N -0.36 4.82 -4.19 1.61 4.19 -1.26 -4.52 117.16 117.44 2djt n TYR 21 Ca 0.00 -3.13 -0.30 0.00 3.31 0.00 0.00 57.90 57.77 2djt n TYR 21 Cb 0.00 -2.38 -0.06 0.00 0.49 0.00 0.00 39.34 37.38 2djt n TYR 21 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2djt n ALA 22 N 6.79 -1.90 0.00 2.98 0.00 -1.26 -4.71 120.51 122.41 2djt n ALA 22 Ca 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2djt n ALA 22 Cb 0.44 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2djt n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djt n GLY 23 N -2.18 0.68 0.04 0.00 0.00 -1.26 -4.91 105.19 97.55 2djt n GLY 23 Ca -0.27 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 43.99 2djt n GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2djt n PHE 24 N 6.99 0.00 -1.73 1.61 3.72 -1.26 -2.19 117.46 124.60 2djt n PHE 24 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 2djt n PHE 24 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 2djt n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2djt n GLY 25 N 1.33 1.00 3.37 1.37 0.00 -1.26 -3.86 105.19 107.14 2djt n GLY 25 Ca 0.03 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2djt n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2djt s LEU 26 N -3.92 3.05 0.08 0.99 2.96 -1.26 -0.24 118.68 120.34 2djt s LEU 26 Ca 0.00 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 2djt s LEU 26 Cb 0.00 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2djt s LEU 26 CO 0.00 0.02 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.07 2djt s THR 27 N 1.24 3.44 -0.15 3.68 2.01 -1.14 -5.03 115.64 119.69 2djt s THR 27 Ca 0.03 -1.15 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 2djt s THR 27 Cb -0.14 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 2djt s THR 27 CO -0.00 0.18 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.28 2djt s LEU 28 N -2.03 3.05 -0.30 4.42 1.43 -1.26 -0.38 118.68 123.61 2djt s LEU 28 Ca 0.21 -0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 2djt s LEU 28 Cb -0.11 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2djt s LEU 28 CO 0.12 0.15 0.14 -0.83 0.23 0.00 0.00 176.35 176.16 2djt s GLY 29 N 0.48 1.85 0.00 -3.19 0.00 -1.08 -4.80 107.32 100.59 2djt s GLY 29 Ca -0.05 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2djt s GLY 29 CO 0.03 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.42 2djt n GLY 30 N 4.97 0.74 0.00 0.20 0.00 -1.26 -4.06 105.19 105.78 2djt n GLY 30 Ca -0.14 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2djt n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djt n GLY 31 N 0.00 -0.29 3.58 -0.02 0.00 -0.73 -4.82 105.19 102.91 2djt n GLY 31 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 2djt n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2djt s ARG 32 N -1.51 3.34 0.24 1.61 6.06 -0.87 -1.15 118.95 126.67 2djt s ARG 32 Ca 0.00 0.73 0.11 0.00 -2.50 0.00 0.00 55.73 54.07 2djt s ARG 32 Cb 0.00 -4.12 -0.05 0.00 0.06 0.00 0.00 34.95 30.84 2djt s ARG 32 CO 0.00 -1.87 -0.15 -0.51 -2.50 0.00 0.00 175.30 170.27 2djt s ASP 33 N 4.74 3.87 0.31 -2.12 1.01 0.65 -2.79 116.67 122.33 2djt s ASP 33 Ca 0.59 -0.83 -0.01 0.00 0.71 0.00 0.00 52.55 53.02 2djt s ASP 33 Cb -0.13 -0.48 0.48 0.00 1.01 0.00 0.00 42.92 43.80 2djt s ASP 33 CO 0.28 0.06 1.93 1.62 0.21 0.00 0.00 175.17 179.28 2djt h VAL 34 N 2.50 1.20 -0.26 -1.27 3.04 -2.02 -2.67 116.25 116.78 2djt h VAL 34 Ca -0.44 -0.50 -0.12 0.00 -1.01 0.00 0.00 66.70 64.63 2djt h VAL 34 Cb 1.24 0.29 -0.07 0.00 -2.01 0.00 0.00 31.29 30.73 2djt h VAL 34 CO 0.56 0.23 -0.14 0.00 -1.01 0.00 0.00 177.57 177.21 2djt n ALA 35 N -2.44 3.91 0.00 3.17 0.00 -1.26 -4.89 120.51 119.00 2djt n ALA 35 Ca 0.07 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.47 2djt n ALA 35 Cb 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2djt n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djt n GLY 36 N -1.07 -1.11 3.61 0.00 0.00 -1.01 -5.13 105.19 100.47 2djt n GLY 36 Ca 0.28 0.93 -0.41 0.00 0.00 0.00 0.00 46.02 46.83 2djt n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2djt s ASP 37 N 0.00 6.50 -0.03 1.61 -4.77 -1.24 -0.25 116.67 118.49 2djt s ASP 37 Ca 0.00 0.49 -0.14 0.00 -3.30 0.00 0.00 52.55 49.60 2djt s ASP 37 Cb 0.00 -2.33 0.02 0.00 -1.09 0.00 0.00 42.92 39.53 2djt s ASP 37 CO 0.00 -0.44 0.30 0.42 0.70 0.00 0.00 175.17 176.15 2djt s THR 38 N 2.56 0.05 -0.21 2.11 -4.23 -0.30 -4.92 115.64 110.70 2djt s THR 38 Ca 0.25 -0.40 -0.29 0.00 -1.18 0.00 0.00 61.69 60.07 2djt s THR 38 Cb -0.15 -0.57 -0.03 0.00 1.34 0.00 0.00 72.50 73.09 2djt s THR 38 CO 0.11 -0.22 1.60 -2.16 -0.54 0.00 0.00 174.62 173.41 2djt s PRO 39 N -1.03 3.84 -0.03 3.99 0.04 -1.26 -1.77 135.00 138.78 2djt s PRO 39 Ca -0.11 1.70 -0.37 0.00 0.04 0.00 0.00 61.00 62.26 2djt s PRO 39 Cb -0.05 -4.02 -0.16 0.00 0.04 0.00 0.00 34.50 30.32 2djt s PRO 39 CO 0.03 -1.23 1.53 1.28 0.04 0.00 0.00 177.00 178.65 2djt n LEU 40 N 8.26 2.17 -3.71 -3.56 4.77 -1.26 -4.36 117.00 119.31 2djt n LEU 40 Ca 0.18 1.09 -0.11 0.00 -0.03 0.00 0.00 56.01 57.14 2djt n LEU 40 Cb 0.45 -1.22 -0.11 0.00 -2.33 0.00 0.00 43.42 40.21 2djt n LEU 40 CO 0.64 -0.70 -0.00 0.00 -1.33 0.00 0.00 177.39 176.00 2djt s ALA 41 N 1.73 -0.88 0.01 -1.18 0.00 -1.26 -1.67 121.76 118.51 2djt s ALA 41 Ca 0.89 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 53.85 2djt s ALA 41 Cb -0.94 -0.80 -0.15 0.00 0.00 0.00 0.00 23.12 21.23 2djt s ALA 41 CO 0.52 -0.23 0.80 0.28 0.00 0.00 0.00 175.76 177.12 2djt n VAL 42 N 4.06 0.08 0.00 0.00 0.31 -1.17 -2.62 118.33 119.00 2djt n VAL 42 Ca -0.22 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2djt n VAL 42 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2djt n VAL 42 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2djt n ARG 43 N 1.13 0.00 -4.44 5.55 3.00 0.49 -2.68 116.66 119.70 2djt n ARG 43 Ca 0.15 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.75 2djt n ARG 43 Cb 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 32.46 32.04 2djt n ARG 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2djt s GLY 44 N -2.72 1.82 -0.30 5.14 0.00 -1.22 -4.79 107.32 105.25 2djt s GLY 44 Ca 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 42.97 2djt s GLY 44 CO 0.00 -1.85 -0.01 1.08 0.00 0.00 0.00 173.10 172.33 2djt s LEU 45 N -3.21 3.78 0.21 0.66 1.43 -1.26 -2.87 118.68 117.43 2djt s LEU 45 Ca 0.27 -1.74 -0.32 0.00 -1.03 0.00 0.00 54.13 51.31 2djt s LEU 45 Cb -0.06 -1.45 -0.14 0.00 0.03 0.00 0.00 46.19 44.56 2djt s LEU 45 CO 0.13 -0.31 1.40 -0.11 0.23 0.00 0.00 176.35 177.69 2djt n LEU 46 N 4.43 2.79 -4.74 1.79 7.94 0.67 -4.93 117.00 124.95 2djt n LEU 46 Ca -0.04 1.13 -0.32 0.00 -1.11 0.00 0.00 56.01 55.67 2djt n LEU 46 Cb 0.42 -1.38 0.10 0.00 0.53 0.00 0.00 43.42 43.09 2djt n LEU 46 CO 0.20 -0.60 0.72 -0.75 -1.11 0.00 0.00 177.39 175.85 2djt s LYS 47 N -0.12 2.03 -0.77 1.96 2.47 -1.26 -2.91 119.74 121.13 2djt s LYS 47 Ca 0.72 1.43 -0.01 0.00 -1.56 0.00 0.00 55.97 56.55 2djt s LYS 47 Cb -0.70 -1.85 0.01 0.00 -1.46 0.00 0.00 37.83 33.82 2djt s LYS 47 CO 0.48 -1.85 0.03 -0.40 0.16 0.00 0.00 175.35 173.77 2djt n ASP 48 N -3.31 -3.06 -4.93 1.43 5.68 -1.26 -4.92 116.55 106.18 2djt n ASP 48 Ca 0.11 0.24 -0.20 0.00 -0.50 0.00 0.00 54.79 54.44 2djt n ASP 48 Cb 0.52 -2.64 -0.02 0.00 -1.14 0.00 0.00 41.12 37.84 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2djt s GLY 49 N -2.07 1.58 0.41 6.12 0.00 -1.15 -4.91 107.32 107.31 2djt s GLY 49 Ca 0.03 -1.48 0.20 0.00 0.00 0.00 0.00 44.72 43.47 2djt s GLY 49 CO 0.04 -1.43 1.83 -0.56 0.00 0.00 0.00 173.10 172.98 2djt h PRO 50 N 1.09 0.00 0.07 2.90 0.13 -1.88 0.56 132.00 134.87 2djt h PRO 50 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 2djt h PRO 50 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2djt h PRO 50 CO 0.56 0.30 -1.49 0.00 -0.23 0.00 0.00 178.00 177.14 2djt h ALA 51 N 1.70 0.41 0.00 -0.56 0.00 -1.91 -2.60 119.26 116.30 2djt h ALA 51 Ca -0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 54.91 53.61 2djt h ALA 51 Cb 0.72 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2djt h ALA 51 CO 0.04 1.27 -0.84 0.37 0.00 0.00 0.00 179.25 180.09 2djt h GLN 52 N 0.04 0.00 0.06 0.00 5.75 -1.75 -3.27 115.11 115.94 2djt h GLN 52 Ca -0.22 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.15 2djt h GLN 52 Cb 1.97 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.52 2djt h GLN 52 CO 0.13 0.48 -0.66 0.00 -2.65 0.00 0.00 178.83 176.13 2djt h ARG 53 N 0.00 0.13 -0.59 1.69 3.08 -1.00 -3.31 114.38 114.38 2djt h ARG 53 Ca -0.06 -0.22 0.16 0.00 0.07 0.00 0.00 59.98 59.94 2djt h ARG 53 Cb 1.49 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 2djt h ARG 53 CO 0.07 1.11 0.42 0.00 -1.07 0.00 0.00 179.97 180.49 2djt n GLY 55 N -1.64 -0.56 0.14 0.00 0.00 -1.23 -4.95 105.19 96.95 2djt n GLY 55 Ca 0.11 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2djt n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djt n ARG 56 N -3.32 0.00 -3.64 1.61 1.74 -1.26 -5.01 116.66 106.78 2djt n ARG 56 Ca -0.15 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.54 2djt n ARG 56 Cb 0.62 -0.82 -0.11 0.00 -1.02 0.00 0.00 32.46 31.13 2djt n ARG 56 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2djt s LEU 57 N -4.64 4.11 0.23 0.55 1.43 -1.26 -5.09 118.68 114.02 2djt s LEU 57 Ca 0.00 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2djt s LEU 57 Cb 0.00 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2djt s LEU 57 CO 0.00 -0.18 0.00 -1.61 0.23 0.00 0.00 176.35 174.80 2djt s GLU 58 N 1.64 2.34 0.03 1.70 2.02 -1.26 -4.85 118.70 120.33 2djt s GLU 58 Ca 0.05 -1.30 -0.31 0.00 0.02 0.00 0.00 54.97 53.43 2djt s GLU 58 Cb -0.17 -2.24 -0.09 0.00 0.10 0.00 0.00 34.13 31.73 2djt s GLU 58 CO 0.07 0.40 1.95 0.28 0.02 0.00 0.00 175.26 177.98 2djt n VAL 59 N -0.64 0.71 0.00 2.63 0.31 -1.26 -2.21 118.33 117.87 2djt n VAL 59 Ca -0.08 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2djt n VAL 59 Cb 0.58 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 2djt n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2djt n GLY 60 N 4.51 0.99 3.44 2.92 0.00 -1.09 -5.00 105.19 110.96 2djt n GLY 60 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2djt n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2djt n ASP 61 N 0.00 -0.97 -4.44 1.61 8.00 -0.94 -4.72 116.55 115.09 2djt n ASP 61 Ca 0.00 0.97 -0.37 0.00 0.71 0.00 0.00 54.79 56.10 2djt n ASP 61 Cb 0.00 -1.07 -0.12 0.00 -0.02 0.00 0.00 41.12 39.91 2djt n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2djt s LEU 62 N 2.21 3.71 -0.10 0.64 1.43 -1.26 -3.02 118.68 122.29 2djt s LEU 62 Ca 0.62 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 2djt s LEU 62 Cb -0.68 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 2djt s LEU 62 CO 0.59 -0.10 0.70 -0.69 0.23 0.00 0.00 176.35 177.08 2djt s VAL 63 N 1.61 5.02 -0.13 -1.59 1.01 -0.67 -2.77 120.40 122.88 2djt s VAL 63 Ca 0.05 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.47 2djt s VAL 63 Cb -0.16 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 2djt s VAL 63 CO 0.05 0.20 -0.10 0.18 0.00 0.00 0.00 175.10 175.42 2djt n LEU 64 N 4.15 2.76 -3.99 3.92 4.77 -0.51 -4.64 117.00 123.47 2djt n LEU 64 Ca -0.01 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 2djt n LEU 64 Cb 0.51 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2djt n LEU 64 CO 0.47 0.69 -0.23 -1.00 -1.33 0.00 0.00 177.39 175.98 2djt s HIS 65 N -2.26 0.37 -0.02 -1.77 3.76 -1.21 -3.98 115.29 110.18 2djt s HIS 65 Ca -0.17 -0.86 0.01 0.00 -0.15 0.00 0.00 55.06 53.89 2djt s HIS 65 Cb 0.04 -0.24 0.02 0.00 1.11 0.00 0.00 32.58 33.51 2djt s HIS 65 CO 0.31 -0.47 -0.01 0.42 -0.85 0.00 0.00 174.74 174.14 2djt s ILE 66 N -3.90 0.19 -1.63 0.60 1.01 -1.03 0.05 121.20 116.49 2djt s ILE 66 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 2djt s ILE 66 Cb 0.06 -0.24 0.13 0.00 0.01 0.00 0.00 42.46 42.42 2djt s ILE 66 CO -0.10 0.11 0.86 0.59 0.00 0.00 0.00 174.94 176.41 2djt n ASN 67 N 3.67 -3.85 -1.49 3.58 3.02 0.65 0.61 115.26 121.44 2djt n ASN 67 Ca -0.21 -0.92 -0.17 0.00 -0.03 0.00 0.00 54.58 53.25 2djt n ASN 67 Cb 0.54 -3.23 -0.06 0.00 -0.61 0.00 0.00 39.78 36.42 2djt n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2djt n GLY 68 N -1.53 1.18 3.68 7.41 0.00 -1.26 -4.99 105.19 109.68 2djt n GLY 68 Ca 0.05 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2djt n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2djt s GLU 69 N -3.83 2.37 -0.30 1.61 0.41 0.20 -5.10 118.70 114.06 2djt s GLU 69 Ca 0.00 -1.42 -0.18 0.00 -0.41 0.00 0.00 54.97 52.96 2djt s GLU 69 Cb 0.00 -2.20 -0.02 0.00 -1.78 0.00 0.00 34.13 30.13 2djt s GLU 69 CO 0.00 0.30 0.50 0.45 -0.49 0.00 0.00 175.26 176.02 2djt s SER 70 N -3.73 6.36 0.00 -0.19 0.15 -1.26 -2.47 113.70 112.56 2djt s SER 70 Ca 0.33 0.27 0.30 0.00 0.70 0.00 0.00 55.95 57.55 2djt s SER 70 Cb -0.05 -2.27 1.57 0.00 -1.71 0.00 0.00 66.02 63.56 2djt s SER 70 CO 0.21 -0.36 2.05 1.07 1.20 0.00 0.00 173.24 177.42 2djt n THR 71 N 5.27 0.00 -0.14 6.45 5.66 -1.26 -3.84 114.28 126.43 2djt n THR 71 Ca -0.05 -0.04 0.26 0.00 -3.05 0.00 0.00 64.05 61.18 2djt n THR 71 Cb 0.49 -0.31 0.71 0.00 -1.55 0.00 0.00 70.33 69.67 2djt n THR 71 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2djt h GLN 72 N 0.34 0.01 -0.10 1.09 -0.00 -1.91 0.66 115.11 115.20 2djt h GLN 72 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2djt h GLN 72 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.68 2djt h GLN 72 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 178.83 179.25 2djt n GLY 73 N -1.69 0.68 3.39 2.39 0.00 -1.25 -4.95 105.19 103.75 2djt n GLY 73 Ca 0.16 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2djt n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2djt s LEU 74 N -0.78 3.41 0.87 0.99 1.43 0.22 -5.06 118.68 119.76 2djt s LEU 74 Ca 0.12 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2djt s LEU 74 Cb 0.07 -1.87 0.12 0.00 0.03 0.00 0.00 46.19 44.55 2djt s LEU 74 CO 0.10 -0.07 1.18 0.42 0.23 0.00 0.00 176.35 178.21 2djt s THR 75 N 1.55 1.99 0.32 5.49 -4.23 -1.26 -4.47 115.64 115.03 2djt s THR 75 Ca 0.05 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 2djt s THR 75 Cb -0.15 -2.89 0.41 0.00 1.34 0.00 0.00 72.50 71.21 2djt s THR 75 CO 0.02 0.00 1.57 -0.74 -0.54 0.00 0.00 174.62 174.92 2djt h HIS 76 N -1.33 0.01 0.02 3.99 2.76 -1.84 0.39 115.15 119.16 2djt h HIS 76 Ca -0.48 0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 57.76 2djt h HIS 76 Cb 1.32 0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.44 2djt h HIS 76 CO 0.09 -0.45 -0.01 0.00 -1.30 0.00 0.00 177.93 176.26 2djt h ALA 77 N 2.00 -0.03 -0.02 5.26 0.00 -1.91 -2.18 119.26 122.37 2djt h ALA 77 Ca 0.62 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.41 2djt h ALA 77 Cb 1.33 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2djt h ALA 77 CO -0.92 -0.36 -0.22 1.96 0.00 0.00 0.00 179.25 179.70 2djt h GLN 78 N -0.35 -0.33 0.22 0.00 1.08 -0.70 -1.49 115.11 113.54 2djt h GLN 78 Ca -0.00 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2djt h GLN 78 Cb 0.33 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.79 2djt h GLN 78 CO 0.01 -0.22 -0.43 0.00 -0.95 0.00 0.00 178.83 177.23 2djt h ALA 79 N 0.54 -0.83 -0.97 3.87 0.00 -0.68 -1.74 119.26 119.45 2djt h ALA 79 Ca 0.07 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.13 2djt h ALA 79 Cb 0.43 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 2djt h ALA 79 CO -0.22 -1.03 0.53 0.28 0.00 0.00 0.00 179.25 178.82 2djt h VAL 80 N -0.73 0.48 0.19 0.00 2.07 -1.19 -0.33 116.25 116.73 2djt h VAL 80 Ca -0.00 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2djt h VAL 80 Cb 0.72 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2djt h VAL 80 CO -0.19 0.09 -0.12 -0.08 0.02 0.00 0.00 177.57 177.29 2djt h GLU 81 N 0.48 -0.30 -0.75 1.57 4.81 -0.41 -1.82 114.58 118.17 2djt h GLU 81 Ca 0.64 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 60.10 2djt h GLU 81 Cb 1.26 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 2djt h GLU 81 CO -0.52 -0.20 0.61 0.00 -0.73 0.00 0.00 179.01 178.18 2djt h ARG 82 N -0.31 0.00 0.08 1.92 2.47 -0.45 0.07 114.38 118.15 2djt h ARG 82 Ca -0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2djt h ARG 82 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2djt h ARG 82 CO 0.01 0.00 -0.04 0.82 0.56 0.00 0.00 179.97 181.33 2djt h ILE 83 N 0.00 0.00 -0.62 2.04 1.08 -1.03 0.29 117.51 119.27 2djt h ILE 83 Ca 0.35 -0.06 0.11 0.00 -0.39 0.00 0.00 64.86 64.87 2djt h ILE 83 Cb 1.58 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.25 2djt h ILE 83 CO -0.00 0.00 0.18 0.03 -0.69 0.00 0.00 178.15 177.67 2djt h ARG 84 N -0.17 0.32 0.00 2.37 2.47 -1.26 1.00 114.38 119.11 2djt h ARG 84 Ca -0.01 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 2djt h ARG 84 Cb 0.08 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2djt h ARG 84 CO 0.02 0.21 -0.28 0.00 0.56 0.00 0.00 179.97 180.49 2djt h ALA 85 N 1.46 1.13 -1.67 0.04 0.00 -1.10 -3.12 119.26 116.00 2djt h ALA 85 Ca 0.32 -0.25 0.49 0.00 0.00 0.00 0.00 54.91 55.47 2djt h ALA 85 Cb 0.45 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2djt h ALA 85 CO -0.36 0.34 1.20 0.78 0.00 0.00 0.00 179.25 181.21 2djt h GLY 86 N 1.62 0.05 0.00 0.00 0.00 0.22 -3.47 103.07 101.50 2djt h GLY 86 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2djt h GLY 86 CO 0.04 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.17 2djt n GLY 87 N -1.85 -0.14 0.24 4.60 0.00 -1.18 -4.62 105.19 102.23 2djt n GLY 87 Ca 0.37 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 44.38 2djt n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djt h PRO 88 N 0.00 0.00 -5.24 1.61 0.13 -1.90 -3.42 132.00 123.17 2djt h PRO 88 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2djt h PRO 88 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2djt h PRO 88 CO 0.00 0.18 -0.67 -0.65 -0.23 0.00 0.00 178.00 176.63 2djt s GLN 89 N -3.77 3.65 -0.08 0.86 -0.21 -1.26 -2.75 119.66 116.09 2djt s GLN 89 Ca -0.00 -0.52 -0.08 0.00 0.02 0.00 0.00 55.36 54.77 2djt s GLN 89 Cb 0.11 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2djt s GLN 89 CO 0.61 0.17 0.20 -1.17 -2.12 0.00 0.00 175.29 172.98 2djt s LEU 90 N 0.57 4.41 -0.15 2.90 0.20 -0.83 -4.85 118.68 120.92 2djt s LEU 90 Ca -0.02 0.57 -0.04 0.00 0.69 0.00 0.00 54.13 55.33 2djt s LEU 90 Cb -0.14 -2.23 0.05 0.00 -0.43 0.00 0.00 46.19 43.44 2djt s LEU 90 CO 0.02 0.38 0.07 -2.28 -0.29 0.00 0.00 176.35 174.26 2djt s HIS 91 N -1.07 0.31 -0.05 5.38 2.46 -1.24 -3.44 115.29 117.64 2djt s HIS 91 Ca 0.18 -0.28 0.03 0.00 0.47 0.00 0.00 55.06 55.46 2djt s HIS 91 Cb -0.13 -0.71 0.00 0.00 -0.13 0.00 0.00 32.58 31.62 2djt s HIS 91 CO 0.07 -0.46 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.22 2djt s LEU 92 N 2.10 1.82 -0.33 8.88 1.43 -1.20 -0.26 118.68 131.13 2djt s LEU 92 Ca 0.02 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 2djt s LEU 92 Cb -0.15 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 2djt s LEU 92 CO -0.08 0.10 0.49 -0.69 0.23 0.00 0.00 176.35 176.40 2djt s VAL 93 N 0.31 5.05 0.13 -1.59 1.01 0.11 -1.28 120.40 124.14 2djt s VAL 93 Ca -0.09 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.42 2djt s VAL 93 Cb -0.13 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2djt s VAL 93 CO 0.03 -0.12 -0.23 -0.63 0.00 0.00 0.00 175.10 174.15 2djt s ILE 94 N 2.33 1.96 -0.27 2.22 -1.09 -0.30 -1.42 121.20 124.62 2djt s ILE 94 Ca 0.18 -1.70 -0.01 0.00 -2.23 0.00 0.00 60.65 56.89 2djt s ILE 94 Cb -0.16 -1.78 0.08 0.00 -1.58 0.00 0.00 42.46 39.03 2djt s ILE 94 CO 0.12 -0.04 0.07 -0.60 -1.23 0.00 0.00 174.94 173.26 2djt s ARG 95 N -2.11 0.76 -0.45 2.79 3.52 -1.11 -1.17 118.95 121.17 2djt s ARG 95 Ca 0.11 -0.86 -0.33 0.00 -0.13 0.00 0.00 55.73 54.52 2djt s ARG 95 Cb -0.09 -2.05 -0.12 0.00 -1.56 0.00 0.00 34.95 31.13 2djt s ARG 95 CO 0.06 -0.85 2.29 -2.13 -0.81 0.00 0.00 175.30 173.85 2djt n ARG 96 N 4.90 0.97 -1.25 5.12 0.63 -1.26 -4.56 116.66 121.22 2djt n ARG 96 Ca -0.05 0.21 -0.31 0.00 -0.92 0.00 0.00 57.85 56.78 2djt n ARG 96 Cb 0.44 -2.53 0.10 0.00 0.45 0.00 0.00 32.46 30.91 2djt n ARG 96 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2djt s PRO 97 N 6.91 2.06 0.09 -0.14 0.04 -1.26 -4.93 135.00 137.77 2djt s PRO 97 Ca 1.11 1.10 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 2djt s PRO 97 Cb -0.78 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 2djt s PRO 97 CO 0.45 -1.76 1.11 -0.11 0.04 0.00 0.00 177.00 176.73 2djt n LEU 98 N -3.60 -0.60 -4.66 -3.56 7.94 -1.26 -4.32 117.00 106.94 2djt n LEU 98 Ca 0.09 1.25 -0.53 0.00 -1.11 0.00 0.00 56.01 55.71 2djt n LEU 98 Cb 0.53 -0.25 -0.06 0.00 0.53 0.00 0.00 43.42 44.17 2djt n LEU 98 CO 0.54 -0.94 1.20 -0.24 -1.11 0.00 0.00 177.39 176.83 2djt n SER 99 N -4.35 2.41 -3.13 1.96 2.88 -1.26 -4.93 113.62 107.19 2djt n SER 99 Ca 0.01 1.07 -0.11 0.00 -1.33 0.00 0.00 58.87 58.52 2djt n SER 99 Cb 0.15 -1.23 -0.04 0.00 -0.75 0.00 0.00 64.21 62.34 2djt n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2djt s GLY 100 N 2.29 -0.47 0.05 0.46 0.00 -1.26 -4.98 107.32 103.41 2djt s GLY 100 Ca 0.90 -0.83 0.16 0.00 0.00 0.00 0.00 44.72 44.96 2djt s GLY 100 CO 0.54 3.13 1.51 -1.55 0.00 0.00 0.00 173.10 176.72 2djt n PRO 101 N 3.57 0.04 -3.19 2.90 -0.04 -1.26 -4.61 135.00 132.41 2djt n PRO 101 Ca 0.17 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.51 2djt n PRO 101 Cb 0.52 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 2djt n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2djt s SER 102 N -3.26 6.41 0.39 3.54 1.04 -1.26 -5.05 113.70 115.50 2djt s SER 102 Ca 0.06 0.26 -0.25 0.00 0.48 0.00 0.00 55.95 56.50 2djt s SER 102 Cb 0.09 -2.30 -0.09 0.00 0.10 0.00 0.00 66.02 63.83 2djt s SER 102 CO 0.29 -0.45 1.07 -0.94 0.98 0.00 0.00 173.24 174.19 2djt s SER 103 N 1.68 6.75 0.00 7.02 1.04 -1.26 -5.24 113.70 123.69 2djt s SER 103 Ca 0.22 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2djt s SER 103 Cb -0.15 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2djt s SER 103 CO 0.12 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.45