#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djt n SER 2 N 0.00 -1.21 -4.62 1.61 3.41 -1.26 -4.87 113.62 106.68 2djt n SER 2 Ca 0.00 -1.24 -0.39 0.00 -0.26 0.00 0.00 58.87 56.98 2djt n SER 2 Cb 0.00 -1.66 -0.09 0.00 -0.26 0.00 0.00 64.21 62.20 2djt n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2djt s SER 3 N -3.54 6.27 0.00 4.04 0.15 -1.26 -4.89 113.70 114.48 2djt s SER 3 Ca 0.62 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2djt s SER 3 Cb -0.36 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2djt s SER 3 CO 1.02 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.91 2djt n GLY 4 N 4.55 -0.46 0.36 9.45 0.00 -1.26 -4.72 105.19 113.11 2djt n GLY 4 Ca -0.09 0.58 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 2djt n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2djt h SER 5 N 0.00 -0.73 -0.80 1.61 0.87 -2.04 -3.44 113.55 109.03 2djt h SER 5 Ca 0.00 -0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.86 2djt h SER 5 Cb 0.00 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2djt h SER 5 CO 0.00 -0.46 0.54 -0.24 -0.53 0.00 0.00 176.83 176.14 2djt n SER 6 N -5.43 0.94 -1.04 6.23 2.88 -1.26 -4.46 113.62 111.48 2djt n SER 6 Ca -0.13 0.95 0.11 0.00 -1.33 0.00 0.00 58.87 58.47 2djt n SER 6 Cb 0.36 -0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 63.09 2djt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djt n GLY 7 N 3.13 -1.25 2.86 0.46 0.00 -1.26 -4.81 105.19 104.32 2djt n GLY 7 Ca 0.24 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 2djt n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2djt s GLN 8 N -1.34 1.21 -0.27 1.61 1.11 -1.26 -4.94 119.66 115.78 2djt s GLN 8 Ca 0.00 -0.26 -0.12 0.00 0.01 0.00 0.00 55.36 54.99 2djt s GLN 8 Cb 0.00 -1.61 -0.05 0.00 -1.01 0.00 0.00 33.01 30.34 2djt s GLN 8 CO 0.00 -0.35 0.22 0.00 0.01 0.00 0.00 175.29 175.16 2djt s ALA 9 N 1.76 3.55 -0.55 6.09 0.00 -1.26 -4.98 121.76 126.37 2djt s ALA 9 Ca 0.03 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2djt s ALA 9 Cb -0.14 -2.50 0.43 0.00 0.00 0.00 0.00 23.12 20.92 2djt s ALA 9 CO -0.07 -0.51 1.62 0.45 0.00 0.00 0.00 175.76 177.24 2djt n SER 10 N 4.98 6.31 0.00 0.00 2.88 -1.26 -4.74 113.62 121.79 2djt n SER 10 Ca -0.13 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.63 2djt n SER 10 Cb 0.52 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2djt n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djt n GLY 11 N -0.70 -1.71 3.77 0.46 0.00 -1.26 -5.15 105.19 100.61 2djt n GLY 11 Ca 0.51 0.42 -0.27 0.00 0.00 0.00 0.00 46.02 46.68 2djt n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djt s HIS 12 N -0.95 3.10 0.17 1.61 3.76 -1.26 -4.42 115.29 117.31 2djt s HIS 12 Ca 0.00 -0.03 -0.09 0.00 -0.15 0.00 0.00 55.06 54.79 2djt s HIS 12 Cb 0.00 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.18 2djt s HIS 12 CO 0.00 0.52 0.30 -0.59 -0.85 0.00 0.00 174.74 174.12 2djt s PHE 13 N -1.70 0.40 0.27 1.40 -0.12 -0.78 -4.84 117.98 112.62 2djt s PHE 13 Ca 0.30 -0.76 0.09 0.00 -0.05 0.00 0.00 56.93 56.51 2djt s PHE 13 Cb -0.10 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 2djt s PHE 13 CO 0.22 -0.75 0.06 -1.54 -0.05 0.00 0.00 175.22 173.17 2djt s SER 14 N -2.98 4.78 -0.17 1.98 1.04 -1.26 -1.08 113.70 116.02 2djt s SER 14 Ca 0.18 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2djt s SER 14 Cb 0.03 -0.96 0.03 0.00 0.10 0.00 0.00 66.02 65.22 2djt s SER 14 CO 0.01 -0.04 -0.16 -0.69 0.98 0.00 0.00 173.24 173.34 2djt s VAL 15 N -2.29 1.81 -0.16 5.02 1.01 -0.06 -4.91 120.40 120.82 2djt s VAL 15 Ca 0.32 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2djt s VAL 15 Cb -0.06 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2djt s VAL 15 CO 0.21 0.43 0.02 -1.61 0.00 0.00 0.00 175.10 174.16 2djt s GLU 16 N 1.37 3.72 0.06 2.72 0.41 -1.25 -3.16 118.70 122.57 2djt s GLU 16 Ca 0.04 -0.40 -0.14 0.00 -0.41 0.00 0.00 54.97 54.05 2djt s GLU 16 Cb -0.14 -3.06 0.02 0.00 -1.78 0.00 0.00 34.13 29.18 2djt s GLU 16 CO -0.11 0.34 0.32 -0.51 -0.49 0.00 0.00 175.26 174.81 2djt s LEU 17 N 0.14 0.81 -0.28 1.80 1.43 -1.19 -4.98 118.68 116.40 2djt s LEU 17 Ca 0.03 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2djt s LEU 17 Cb -0.13 1.44 0.02 0.00 0.03 0.00 0.00 46.19 47.55 2djt s LEU 17 CO 0.01 -0.67 0.03 -0.69 0.23 0.00 0.00 176.35 175.26 2djt s VAL 18 N -2.89 3.50 -0.38 -1.59 1.01 -1.26 -2.25 120.40 116.53 2djt s VAL 18 Ca -0.03 -0.89 -0.34 0.00 0.00 0.00 0.00 61.98 60.72 2djt s VAL 18 Cb 0.00 -2.82 -0.15 0.00 0.00 0.00 0.00 36.38 33.41 2djt s VAL 18 CO -0.05 0.09 1.52 -1.14 0.00 0.00 0.00 175.10 175.52 2djt n ARG 19 N 4.77 0.00 0.00 2.72 0.63 -1.15 -4.90 116.66 118.73 2djt n ARG 19 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 2djt n ARG 19 Cb 0.47 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 32.23 2djt n ARG 19 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2djt n GLY 20 N 4.99 1.65 3.69 5.14 0.00 -0.75 -4.96 105.19 114.94 2djt n GLY 20 Ca 0.37 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2djt n GLY 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2djt s TYR 21 N 4.10 3.50 -0.98 1.61 6.14 -1.26 -3.72 117.35 126.74 2djt s TYR 21 Ca 0.00 1.44 -0.05 0.00 0.64 0.00 0.00 57.07 59.10 2djt s TYR 21 Cb 0.00 -3.07 0.01 0.00 0.42 0.00 0.00 41.96 39.32 2djt s TYR 21 CO 0.00 -0.17 0.85 0.00 0.64 0.00 0.00 175.55 176.88 2djt n ALA 22 N 4.81 -1.08 0.00 3.97 0.00 -1.26 -4.73 120.51 122.22 2djt n ALA 22 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2djt n ALA 22 Cb 0.49 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.17 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 -1.52 -0.57 0.10 0.00 0.00 -1.24 -4.37 105.19 97.58 2djt n GLY 23 Ca -0.04 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.83 -0.83 1.61 3.72 -1.26 -1.81 117.46 119.72 2djt n PHE 24 Ca 0.00 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 2djt n PHE 24 Cb 0.00 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.40 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 1.72 1.05 3.35 1.37 0.00 -1.26 -3.95 105.19 107.47 2djt n GLY 25 Ca -0.24 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 2.77 -0.06 0.99 2.96 -1.26 -1.56 118.68 122.52 2djt s LEU 26 Ca 0.00 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2djt s LEU 26 Cb 0.00 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.04 2djt s LEU 26 CO 0.00 0.11 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.06 2djt s THR 27 N 0.71 1.57 -0.07 3.68 2.01 -1.21 -5.04 115.64 117.29 2djt s THR 27 Ca -0.05 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 2djt s THR 27 Cb -0.15 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2djt s THR 27 CO 0.02 0.45 0.06 -0.76 -0.69 0.00 0.00 174.62 173.70 2djt s LEU 28 N 0.21 3.87 -0.25 4.42 1.43 -1.26 -0.22 118.68 126.88 2djt s LEU 28 Ca -0.09 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2djt s LEU 28 Cb -0.14 -2.02 0.06 0.00 0.03 0.00 0.00 46.19 44.12 2djt s LEU 28 CO 0.04 0.35 -0.06 -0.83 0.23 0.00 0.00 176.35 176.08 2djt s GLY 29 N -1.20 1.44 0.00 -3.19 0.00 -1.09 -4.80 107.32 98.48 2djt s GLY 29 Ca 0.17 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.33 2djt s GLY 29 CO 0.07 0.84 0.00 0.61 0.00 0.00 0.00 173.10 174.62 2djt n GLY 30 N 4.57 0.46 6.37 0.20 0.00 -1.26 -4.25 105.19 111.28 2djt n GLY 30 Ca -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.63 3.62 -0.02 0.00 -0.20 -4.71 105.19 102.25 2djt n GLY 31 Ca 0.00 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 3.93 0.07 1.61 3.52 -1.26 -1.16 118.95 125.66 2djt s ARG 32 Ca 0.00 0.79 0.07 0.00 -0.13 0.00 0.00 55.73 56.46 2djt s ARG 32 Cb 0.00 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 2djt s ARG 32 CO 0.00 -0.97 -0.14 -0.51 -0.81 0.00 0.00 175.30 172.87 2djt s ASP 33 N 1.84 4.09 0.30 -2.12 1.01 0.22 -4.29 116.67 117.72 2djt s ASP 33 Ca 0.42 -0.40 0.21 0.00 0.71 0.00 0.00 52.55 53.49 2djt s ASP 33 Cb -0.12 -0.73 1.11 0.00 1.01 0.00 0.00 42.92 44.20 2djt s ASP 33 CO 0.18 0.23 1.64 1.33 0.21 0.00 0.00 175.17 178.76 2djt n VAL 34 N 1.20 1.07 -0.09 -1.27 0.24 -1.26 -1.48 118.33 116.74 2djt n VAL 34 Ca -0.15 0.70 -0.08 0.00 -2.04 0.00 0.00 64.34 62.76 2djt n VAL 34 Cb 0.52 -1.70 -0.14 0.00 -1.47 0.00 0.00 33.84 31.06 2djt n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2djt n ALA 35 N -1.77 1.59 -3.83 2.33 0.00 -1.26 -5.07 120.51 112.50 2djt n ALA 35 Ca -0.01 -1.16 -0.07 0.00 0.00 0.00 0.00 53.44 52.20 2djt n ALA 35 Cb 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 19.45 19.38 2djt n ALA 35 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2djt s GLY 36 N -5.16 0.24 -0.03 0.00 0.00 -0.55 -5.17 107.32 96.66 2djt s GLY 36 Ca -0.09 -0.57 0.06 0.00 0.00 0.00 0.00 44.72 44.12 2djt s GLY 36 CO 0.73 0.46 -0.20 -0.35 0.00 0.00 0.00 173.10 173.73 2djt s ASP 37 N -3.14 2.42 -0.09 1.64 2.15 -1.26 0.71 116.67 119.10 2djt s ASP 37 Ca 0.17 -0.38 -0.20 0.00 0.43 0.00 0.00 52.55 52.57 2djt s ASP 37 Cb -0.04 -0.40 0.04 0.00 -0.30 0.00 0.00 42.92 42.22 2djt s ASP 37 CO 0.09 0.23 0.47 0.42 -0.17 0.00 0.00 175.17 176.21 2djt s THR 38 N -0.33 0.02 -0.10 1.71 -4.23 -0.31 -4.97 115.64 107.43 2djt s THR 38 Ca 0.04 -0.18 -0.29 0.00 -1.18 0.00 0.00 61.69 60.08 2djt s THR 38 Cb -0.09 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 2djt s THR 38 CO 0.00 -0.10 1.53 -2.16 -0.54 0.00 0.00 174.62 173.35 2djt s PRO 39 N -0.70 4.17 0.10 3.99 0.04 -1.26 -1.03 135.00 140.31 2djt s PRO 39 Ca -0.08 1.99 -0.35 0.00 0.04 0.00 0.00 61.00 62.60 2djt s PRO 39 Cb -0.03 -3.92 -0.14 0.00 0.04 0.00 0.00 34.50 30.45 2djt s PRO 39 CO 0.04 -0.83 1.57 1.28 0.04 0.00 0.00 177.00 179.10 2djt n LEU 40 N 7.05 2.79 -3.79 -3.56 4.77 -1.26 -4.46 117.00 118.54 2djt n LEU 40 Ca 0.16 1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 57.09 2djt n LEU 40 Cb 0.44 -1.36 -0.11 0.00 -2.33 0.00 0.00 43.42 40.06 2djt n LEU 40 CO 0.60 -0.43 -0.08 0.00 -1.33 0.00 0.00 177.39 176.16 2djt s ALA 41 N 1.26 -0.63 -0.20 -1.18 0.00 -1.26 -1.44 121.76 118.31 2djt s ALA 41 Ca 0.82 0.59 -0.41 0.00 0.00 0.00 0.00 51.96 52.96 2djt s ALA 41 Cb -0.75 -0.31 -0.18 0.00 0.00 0.00 0.00 23.12 21.88 2djt s ALA 41 CO 0.42 -0.15 1.51 0.28 0.00 0.00 0.00 175.76 177.82 2djt n VAL 42 N 2.58 0.11 0.00 0.00 0.31 -1.07 -2.67 118.33 117.59 2djt n VAL 42 Ca -0.15 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2djt n VAL 42 Cb 0.58 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 3.75 0.00 -4.37 5.55 0.00 0.70 -2.53 116.66 119.76 2djt n ARG 43 Ca 0.25 0.11 -0.25 0.00 -0.00 0.00 0.00 57.85 57.96 2djt n ARG 43 Cb 0.09 -0.61 -0.09 0.00 0.00 0.00 0.00 32.46 31.84 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 -2.75 1.75 -0.21 5.14 0.00 -1.11 -4.72 107.32 105.42 2djt s GLY 44 Ca 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.06 2djt s GLY 44 CO 0.00 -1.73 -0.08 1.08 0.00 0.00 0.00 173.10 172.37 2djt s LEU 45 N -3.23 2.44 -0.10 0.66 1.43 -1.26 -3.35 118.68 115.26 2djt s LEU 45 Ca 0.27 -1.02 -0.37 0.00 -1.03 0.00 0.00 54.13 51.99 2djt s LEU 45 Cb -0.07 -1.22 -0.15 0.00 0.03 0.00 0.00 46.19 44.78 2djt s LEU 45 CO 0.15 -0.18 1.66 -0.11 0.23 0.00 0.00 176.35 178.10 2djt n LEU 46 N 4.67 2.52 -4.64 1.79 -0.00 -0.60 -4.83 117.00 115.91 2djt n LEU 46 Ca -0.14 1.06 -0.48 0.00 -0.00 0.00 0.00 56.01 56.46 2djt n LEU 46 Cb 0.45 -1.23 -0.05 0.00 -0.00 0.00 0.00 43.42 42.59 2djt n LEU 46 CO 0.19 -0.48 1.06 1.17 -0.00 0.00 0.00 177.39 179.33 2djt n LYS 47 N 4.75 1.75 -4.01 1.96 0.00 -1.26 -1.13 118.16 120.21 2djt n LYS 47 Ca 0.23 0.63 -0.32 0.00 0.00 0.00 0.00 58.31 58.85 2djt n LYS 47 Cb 0.20 -2.33 0.01 0.00 0.00 0.00 0.00 35.03 32.90 2djt n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2djt n ASP 48 N 2.94 -4.00 -5.03 3.14 2.03 -1.26 -4.96 116.55 109.41 2djt n ASP 48 Ca 0.17 -0.87 -0.19 0.00 0.52 0.00 0.00 54.79 54.42 2djt n ASP 48 Cb 0.25 -3.49 0.05 0.00 -0.72 0.00 0.00 41.12 37.21 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2djt s GLY 49 N -3.39 1.79 0.19 0.27 0.00 -0.28 -4.93 107.32 100.98 2djt s GLY 49 Ca 0.64 -2.01 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 2djt s GLY 49 CO 0.86 -1.64 1.55 -0.56 0.00 0.00 0.00 173.10 173.32 2djt h PRO 50 N 0.31 0.67 0.01 2.90 0.13 -1.86 0.87 132.00 135.03 2djt h PRO 50 Ca -0.33 -0.36 -0.20 0.00 -0.87 0.00 0.00 66.00 64.25 2djt h PRO 50 Cb 1.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2djt h PRO 50 CO 0.42 0.97 -0.89 0.00 -0.23 0.00 0.00 178.00 178.27 2djt h ALA 51 N 0.99 0.52 0.21 -0.56 0.00 -1.91 -2.57 119.26 115.93 2djt h ALA 51 Ca 0.04 -0.75 -0.32 0.00 0.00 0.00 0.00 54.91 53.89 2djt h ALA 51 Cb 0.95 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.68 2djt h ALA 51 CO 0.09 0.96 -1.39 0.37 0.00 0.00 0.00 179.25 179.27 2djt h GLN 52 N 0.08 0.46 -0.25 0.00 5.75 -1.79 -3.15 115.11 116.21 2djt h GLN 52 Ca -0.04 -0.77 -0.04 0.00 -0.15 0.00 0.00 58.65 57.65 2djt h GLN 52 Cb 1.53 0.29 -0.01 0.00 1.07 0.00 0.00 27.48 30.36 2djt h GLN 52 CO 0.13 1.37 -0.00 0.00 -2.65 0.00 0.00 178.83 177.68 2djt h ARG 53 N 0.13 0.44 -0.85 1.69 3.08 -0.89 -2.98 114.38 115.02 2djt h ARG 53 Ca -0.21 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 59.75 2djt h ARG 53 Cb 2.09 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 32.05 2djt h ARG 53 CO 0.25 0.62 0.55 0.00 -1.07 0.00 0.00 179.97 180.32 2djt n GLY 55 N -1.41 1.92 0.33 0.00 0.00 -1.13 -4.81 105.19 100.09 2djt n GLY 55 Ca 0.12 -0.35 0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -0.03 -3.85 1.61 3.00 -1.26 -3.65 116.66 112.48 2djt n ARG 56 Ca 0.00 0.93 -0.36 0.00 -0.01 0.00 0.00 57.85 58.41 2djt n ARG 56 Cb 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 32.46 30.52 2djt n ARG 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2djt s LEU 57 N -8.42 3.27 0.04 0.55 1.43 -1.26 -5.03 118.68 109.25 2djt s LEU 57 Ca -0.06 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2djt s LEU 57 Cb 0.23 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2djt s LEU 57 CO 0.60 -0.01 -0.03 -1.61 0.23 0.00 0.00 176.35 175.52 2djt s GLU 58 N 1.47 0.46 -0.25 1.70 2.02 -1.24 -4.62 118.70 118.25 2djt s GLU 58 Ca 0.05 -0.92 -0.35 0.00 0.02 0.00 0.00 54.97 53.77 2djt s GLU 58 Cb -0.15 0.16 -0.12 0.00 0.10 0.00 0.00 34.13 34.13 2djt s GLU 58 CO 0.01 -0.08 2.03 0.28 0.02 0.00 0.00 175.26 177.53 2djt n VAL 59 N 0.84 0.34 0.00 2.63 0.31 -1.26 -1.33 118.33 119.86 2djt n VAL 59 Ca -0.19 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2djt n VAL 59 Cb 0.58 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 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 5.46 2.06 3.47 2.92 0.00 -1.05 -5.01 105.19 113.04 2djt n GLY 60 Ca 0.32 -0.68 -0.47 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.35 -4.79 1.61 9.92 -0.44 -4.71 116.55 117.79 2djt n ASP 61 Ca 0.00 1.15 -0.36 0.00 -0.53 0.00 0.00 54.79 55.05 2djt n ASP 61 Cb 0.00 -1.07 -0.07 0.00 -0.64 0.00 0.00 41.12 39.34 2djt n ASP 61 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2djt s LEU 62 N 2.09 4.30 -0.26 0.64 1.43 -1.26 -2.61 118.68 123.01 2djt s LEU 62 Ca 0.62 0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 54.01 2djt s LEU 62 Cb -0.85 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 2djt s LEU 62 CO 0.57 0.26 0.16 -0.69 0.23 0.00 0.00 176.35 176.89 2djt s VAL 63 N -0.23 5.19 -0.20 -1.59 1.01 -0.52 -2.48 120.40 121.57 2djt s VAL 63 Ca 0.13 0.12 0.16 0.00 0.00 0.00 0.00 61.98 62.39 2djt s VAL 63 Cb -0.12 -3.44 -0.23 0.00 0.00 0.00 0.00 36.38 32.59 2djt s VAL 63 CO 0.02 0.31 0.03 0.18 0.00 0.00 0.00 175.10 175.64 2djt n LEU 64 N 4.67 0.35 -3.99 3.92 4.77 -0.91 -4.60 117.00 121.20 2djt n LEU 64 Ca -0.15 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2djt n LEU 64 Cb 0.52 0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.91 2djt n LEU 64 CO 0.34 0.54 0.24 -1.00 -1.33 0.00 0.00 177.39 176.18 2djt s HIS 65 N -2.48 0.60 -0.18 -1.77 3.76 -1.22 -4.25 115.29 109.74 2djt s HIS 65 Ca -0.13 -0.97 -0.13 0.00 -0.15 0.00 0.00 55.06 53.68 2djt s HIS 65 Cb 0.06 0.22 0.05 0.00 1.11 0.00 0.00 32.58 34.03 2djt s HIS 65 CO 0.78 -1.18 0.47 0.42 -0.85 0.00 0.00 174.74 174.38 2djt s ILE 66 N -3.25 -0.01 -1.78 0.60 1.01 -1.22 -1.95 121.20 114.61 2djt s ILE 66 Ca 0.24 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 2djt s ILE 66 Cb -0.02 -0.67 0.19 0.00 0.01 0.00 0.00 42.46 41.97 2djt s ILE 66 CO 0.14 0.02 0.68 0.59 0.00 0.00 0.00 174.94 176.37 2djt n ASN 67 N 3.59 -2.51 -2.27 3.58 3.02 0.04 0.13 115.26 120.83 2djt n ASN 67 Ca -0.18 -1.12 -0.18 0.00 -0.03 0.00 0.00 54.58 53.07 2djt n ASN 67 Cb 0.56 -2.24 0.01 0.00 -0.61 0.00 0.00 39.78 37.51 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 -1.30 -0.31 3.79 7.41 0.00 -1.26 -4.97 105.19 108.54 2djt n GLY 68 Ca 0.08 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.23 2.20 -0.26 1.61 0.41 0.34 -5.10 118.70 112.67 2djt s GLU 69 Ca 0.15 -2.30 -0.03 0.00 -0.41 0.00 0.00 54.97 52.38 2djt s GLU 69 Cb -0.06 -1.67 0.02 0.00 -1.78 0.00 0.00 34.13 30.63 2djt s GLU 69 CO 0.18 -0.40 -0.02 0.45 -0.49 0.00 0.00 175.26 174.98 2djt s SER 70 N -3.96 4.55 0.32 -0.19 0.15 -1.26 -3.39 113.70 109.93 2djt s SER 70 Ca 0.14 -0.78 0.26 0.00 0.70 0.00 0.00 55.95 56.26 2djt s SER 70 Cb 0.01 -1.73 1.02 0.00 -1.71 0.00 0.00 66.02 63.61 2djt s SER 70 CO 0.08 -0.14 1.78 0.00 1.20 0.00 0.00 173.24 176.16 2djt h THR 71 N 6.02 0.00 -0.01 6.45 1.03 -1.88 -2.95 112.91 121.58 2djt h THR 71 Ca -0.33 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.72 2djt h THR 71 Cb 1.12 1.20 -0.00 0.00 -1.07 0.00 0.00 68.15 69.39 2djt h THR 71 CO 0.58 0.00 0.05 -0.61 -0.01 0.00 0.00 175.52 175.53 2djt h GLN 72 N 0.00 0.00 -0.00 0.00 5.75 -1.93 -1.49 115.11 117.44 2djt h GLN 72 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2djt h GLN 72 Cb 0.47 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.02 2djt h GLN 72 CO 0.00 0.00 -0.30 0.41 -2.65 0.00 0.00 178.83 176.29 2djt n GLY 73 N -1.13 0.24 3.70 2.39 0.00 -1.11 -5.00 105.19 104.27 2djt n GLY 73 Ca -0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.18 3.60 0.00 0.99 1.43 -0.56 -5.10 118.68 116.86 2djt s LEU 74 Ca 0.03 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2djt s LEU 74 Cb 0.05 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.35 2djt s LEU 74 CO 0.27 0.31 0.51 0.35 0.23 0.00 0.00 176.35 178.02 2djt n THR 75 N 1.60 0.00 -0.15 5.49 -2.24 -1.26 -4.79 114.28 112.92 2djt n THR 75 Ca -0.16 -0.92 0.04 0.00 -2.27 0.00 0.00 64.05 60.74 2djt n THR 75 Cb 0.53 -0.99 0.33 0.00 -2.10 0.00 0.00 70.33 68.10 2djt n THR 75 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2djt h HIS 76 N -0.33 0.77 0.41 4.78 2.76 -1.84 -0.48 115.15 121.23 2djt h HIS 76 Ca -0.17 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.00 2djt h HIS 76 Cb 0.67 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2djt h HIS 76 CO 0.00 0.46 -0.20 0.00 -1.30 0.00 0.00 177.93 176.89 2djt h ALA 77 N 1.61 -0.56 -0.18 5.26 0.00 -1.94 -3.14 119.26 120.31 2djt h ALA 77 Ca 0.26 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2djt h ALA 77 Cb 0.05 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2djt h ALA 77 CO -0.07 -0.53 -0.32 1.96 0.00 0.00 0.00 179.25 180.28 2djt h GLN 78 N -1.11 -0.35 -0.94 0.00 4.20 -1.91 -1.06 115.11 113.94 2djt h GLN 78 Ca -0.06 0.02 0.28 0.00 0.06 0.00 0.00 58.65 58.95 2djt h GLN 78 Cb 0.47 0.08 -0.16 0.00 0.30 0.00 0.00 27.48 28.17 2djt h GLN 78 CO 0.09 -0.24 0.20 0.00 -0.67 0.00 0.00 178.83 178.22 2djt h ALA 79 N 0.49 1.37 -0.25 3.87 0.00 -1.20 1.02 119.26 124.55 2djt h ALA 79 Ca 0.11 0.28 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 2djt h ALA 79 Cb 0.54 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2djt h ALA 79 CO -0.38 -0.58 -0.29 0.28 0.00 0.00 0.00 179.25 178.28 2djt h VAL 80 N 0.10 1.27 -0.22 0.00 2.07 -1.17 -2.89 116.25 115.42 2djt h VAL 80 Ca 0.61 -1.34 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 2djt h VAL 80 Cb 1.32 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2djt h VAL 80 CO -0.77 0.42 -0.43 -0.08 0.02 0.00 0.00 177.57 176.74 2djt h GLU 81 N 0.43 0.52 -0.31 1.57 4.81 0.18 -3.01 114.58 118.77 2djt h GLU 81 Ca 0.06 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2djt h GLU 81 Cb 0.72 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2djt h GLU 81 CO 0.06 0.85 0.18 0.00 -0.73 0.00 0.00 179.01 179.36 2djt h ARG 82 N 0.42 0.43 0.40 1.92 2.47 -0.58 0.27 114.38 119.71 2djt h ARG 82 Ca 0.03 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2djt h ARG 82 Cb 0.92 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 2djt h ARG 82 CO 0.08 0.35 -0.25 0.82 0.56 0.00 0.00 179.97 181.54 2djt h ILE 83 N 0.39 0.00 -0.36 2.04 2.04 -1.49 0.63 117.51 120.77 2djt h ILE 83 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 2djt h ILE 83 Cb 0.04 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.04 2djt h ILE 83 CO -0.02 0.00 -0.16 0.03 0.00 0.00 0.00 178.15 178.00 2djt h ARG 84 N -0.61 -0.10 -0.29 2.37 2.47 -1.56 0.19 114.38 116.86 2djt h ARG 84 Ca -0.05 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2djt h ARG 84 Cb 0.49 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 2djt h ARG 84 CO 0.05 -0.06 0.14 0.00 0.56 0.00 0.00 179.97 180.66 2djt h ALA 85 N 1.18 1.70 -0.97 0.04 0.00 -0.89 -2.85 119.26 117.46 2djt h ALA 85 Ca 0.18 -0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.33 2djt h ALA 85 Cb 0.38 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 2djt h ALA 85 CO -0.43 0.25 0.19 0.78 0.00 0.00 0.00 179.25 180.04 2djt h GLY 86 N 0.50 1.53 0.00 0.00 0.00 0.24 -3.47 103.07 101.87 2djt h GLY 86 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2djt h GLY 86 CO -0.01 -0.56 0.00 0.61 0.00 0.00 0.00 176.54 176.57 2djt n GLY 87 N -1.42 0.68 0.19 4.60 0.00 -1.08 -4.77 105.19 103.40 2djt n GLY 87 Ca 0.27 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.41 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 -5.37 1.61 0.13 -1.91 -3.43 132.00 123.03 2djt h PRO 88 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2djt h PRO 88 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 2djt h PRO 88 CO 0.00 0.00 -0.61 -0.65 -0.23 0.00 0.00 178.00 176.51 2djt s GLN 89 N -3.47 3.73 -0.19 0.86 -0.21 -1.26 -2.95 119.66 116.17 2djt s GLN 89 Ca 0.03 -0.43 -0.07 0.00 0.02 0.00 0.00 55.36 54.91 2djt s GLN 89 Cb 0.09 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 2djt s GLN 89 CO 0.44 0.32 0.06 -1.17 -2.12 0.00 0.00 175.29 172.82 2djt s LEU 90 N 0.20 3.78 -0.09 2.90 0.20 -0.96 -4.86 118.68 119.85 2djt s LEU 90 Ca 0.01 0.06 -0.00 0.00 0.69 0.00 0.00 54.13 54.88 2djt s LEU 90 Cb -0.13 -1.96 0.02 0.00 -0.43 0.00 0.00 46.19 43.70 2djt s LEU 90 CO 0.02 0.16 -0.05 -2.28 -0.29 0.00 0.00 176.35 173.90 2djt s HIS 91 N 0.46 1.16 -0.01 5.38 2.46 -1.23 -3.16 115.29 120.33 2djt s HIS 91 Ca 0.03 -0.50 0.00 0.00 0.47 0.00 0.00 55.06 55.07 2djt s HIS 91 Cb -0.13 -1.04 0.01 0.00 -0.13 0.00 0.00 32.58 31.30 2djt s HIS 91 CO 0.01 -0.41 -0.00 -0.51 -2.47 0.00 0.00 174.74 171.35 2djt s LEU 92 N 1.66 1.59 -0.45 8.88 1.43 -1.19 -0.78 118.68 129.82 2djt s LEU 92 Ca 0.02 -0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 2djt s LEU 92 Cb -0.13 -0.13 0.03 0.00 0.03 0.00 0.00 46.19 45.99 2djt s LEU 92 CO -0.06 -0.04 0.55 -0.69 0.23 0.00 0.00 176.35 176.35 2djt s VAL 93 N 0.47 4.95 0.03 -1.59 1.01 -0.82 -0.88 120.40 123.56 2djt s VAL 93 Ca -0.04 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2djt s VAL 93 Cb -0.07 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2djt s VAL 93 CO -0.01 -0.58 -0.17 -0.63 0.00 0.00 0.00 175.10 173.71 2djt s ILE 94 N 2.49 2.85 -0.33 2.22 -1.09 -0.24 -2.15 121.20 124.96 2djt s ILE 94 Ca 0.16 -1.10 -0.00 0.00 -2.23 0.00 0.00 60.65 57.48 2djt s ILE 94 Cb -0.17 -2.18 0.11 0.00 -1.58 0.00 0.00 42.46 38.64 2djt s ILE 94 CO 0.15 0.38 0.13 -0.60 -1.23 0.00 0.00 174.94 173.77 2djt s ARG 95 N -1.32 0.77 0.03 2.79 3.52 -1.03 -1.86 118.95 121.83 2djt s ARG 95 Ca 0.14 -1.21 -0.35 0.00 -0.13 0.00 0.00 55.73 54.19 2djt s ARG 95 Cb -0.11 -1.98 -0.13 0.00 -1.56 0.00 0.00 34.95 31.18 2djt s ARG 95 CO 0.05 -1.03 1.69 -2.13 -0.81 0.00 0.00 175.30 173.07 2djt n ARG 96 N 4.63 2.01 -1.12 5.12 0.63 -1.26 -4.42 116.66 122.24 2djt n ARG 96 Ca 0.00 0.73 -0.29 0.00 -0.92 0.00 0.00 57.85 57.37 2djt n ARG 96 Cb 0.41 -2.52 0.21 0.00 0.45 0.00 0.00 32.46 31.01 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 2.33 -0.44 0.04 -0.14 0.04 -1.26 -5.04 135.00 130.53 2djt s PRO 97 Ca 0.86 0.21 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2djt s PRO 97 Cb -0.73 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2djt s PRO 97 CO 0.46 -3.25 0.00 -0.11 0.04 0.00 0.00 177.00 174.14 2djt n LEU 98 N -4.48 0.08 -4.71 -3.56 -0.00 -1.26 -5.06 117.00 98.01 2djt n LEU 98 Ca 0.09 0.07 -0.42 0.00 -0.00 0.00 0.00 56.01 55.75 2djt n LEU 98 Cb 0.58 0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.99 2djt n LEU 98 CO 0.51 -0.37 0.69 -0.94 -0.00 0.00 0.00 177.39 177.28 2djt s SER 99 N -5.09 7.37 0.00 1.96 1.04 -1.26 -4.53 113.70 113.18 2djt s SER 99 Ca 0.00 1.68 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2djt s SER 99 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2djt s SER 99 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2djt n GLY 100 N 2.88 1.38 3.67 7.32 0.00 -1.26 -5.07 105.19 114.10 2djt n GLY 100 Ca 0.06 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2djt n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djt s PRO 101 N 0.00 4.22 -0.58 1.61 0.04 -1.26 -4.98 135.00 134.05 2djt s PRO 101 Ca 0.00 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.08 2djt s PRO 101 Cb 0.00 -3.82 0.14 0.00 0.04 0.00 0.00 34.50 30.86 2djt s PRO 101 CO 0.00 -0.75 0.35 -1.12 0.04 0.00 0.00 177.00 175.52 2djt s SER 102 N 2.64 4.62 -0.16 6.66 0.01 -1.26 -4.92 113.70 121.28 2djt s SER 102 Ca 0.67 -3.13 -0.23 0.00 1.31 0.00 0.00 55.95 54.57 2djt s SER 102 Cb -0.30 -1.69 -0.20 0.00 0.21 0.00 0.00 66.02 64.04 2djt s SER 102 CO 0.25 -0.23 0.43 0.77 0.41 0.00 0.00 173.24 174.87 2djt h SER 103 N 6.43 0.00 0.00 2.44 4.64 -1.99 -3.56 113.55 121.50 2djt h SER 103 Ca -0.03 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 2djt h SER 103 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2djt h SER 103 CO 0.70 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 178.41