#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 7.12 0.11 1.61 0.01 -1.26 -4.84 113.70 116.45 2djt s SER 2 Ca 0.00 -3.11 -0.20 0.00 1.31 0.00 0.00 55.95 53.95 2djt s SER 2 Cb 0.00 -2.34 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 2djt s SER 2 CO 0.00 -0.63 1.71 0.77 0.41 0.00 0.00 173.24 175.50 2djt h SER 3 N 7.11 0.26 -3.50 2.44 4.64 -2.14 -3.43 113.55 118.92 2djt h SER 3 Ca 0.27 -0.08 -0.67 0.00 -0.47 0.00 0.00 61.79 60.84 2djt h SER 3 Cb 0.88 -0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 62.76 2djt h SER 3 CO 1.16 0.26 -0.69 -0.83 -0.87 0.00 0.00 176.83 175.86 2djt s GLY 4 N -2.54 1.82 -0.66 -0.77 0.00 -1.26 -5.08 107.32 98.83 2djt s GLY 4 Ca -0.13 -1.08 -0.17 0.00 0.00 0.00 0.00 44.72 43.34 2djt s GLY 4 CO 0.70 -1.00 0.68 -0.56 0.00 0.00 0.00 173.10 172.92 2djt s SER 5 N -1.83 6.36 -0.03 1.64 0.01 -1.26 -5.03 113.70 113.57 2djt s SER 5 Ca 0.20 -1.91 0.04 0.00 1.31 0.00 0.00 55.95 55.60 2djt s SER 5 Cb -0.11 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 2djt s SER 5 CO 0.12 -0.89 -0.16 -0.55 0.41 0.00 0.00 173.24 172.17 2djt s SER 6 N 3.27 1.95 0.00 2.44 0.15 -1.26 -4.85 113.70 115.40 2djt s SER 6 Ca 0.12 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2djt s SER 6 Cb -0.21 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2djt s SER 6 CO 0.00 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2djt n GLY 7 N 2.98 3.81 3.53 9.45 0.00 -1.26 -5.11 105.19 118.60 2djt n GLY 7 Ca -0.17 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 2djt n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2djt s GLN 8 N 0.00 3.82 -0.29 1.61 1.03 -1.26 -5.04 119.66 119.53 2djt s GLN 8 Ca 0.00 -0.39 0.01 0.00 0.04 0.00 0.00 55.36 55.02 2djt s GLN 8 Cb 0.00 -3.54 0.18 0.00 0.03 0.00 0.00 33.01 29.68 2djt s GLN 8 CO 0.00 -0.19 0.54 0.00 -2.54 0.00 0.00 175.29 173.09 2djt s ALA 9 N 1.70 -1.99 -0.47 2.60 0.00 -1.26 -5.12 121.76 117.22 2djt s ALA 9 Ca 0.07 1.24 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 2djt s ALA 9 Cb -0.16 -2.20 0.08 0.00 0.00 0.00 0.00 23.12 20.84 2djt s ALA 9 CO 0.08 -1.54 0.39 0.45 0.00 0.00 0.00 175.76 175.14 2djt s SER 10 N 2.76 6.07 0.00 0.00 0.15 -1.26 -4.80 113.70 116.62 2djt s SER 10 Ca 0.15 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.38 2djt s SER 10 Cb -0.13 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2djt s SER 10 CO -0.23 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.16 2djt n GLY 11 N 5.16 1.07 3.89 9.45 0.00 -1.26 -5.08 105.19 118.42 2djt n GLY 11 Ca -0.12 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 3.47 0.05 1.61 3.76 -1.26 -4.50 115.29 118.42 2djt s HIS 12 Ca 0.00 0.66 -0.03 0.00 -0.15 0.00 0.00 55.06 55.54 2djt s HIS 12 Cb 0.00 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 2djt s HIS 12 CO 0.00 0.39 0.03 -0.59 -0.85 0.00 0.00 174.74 173.73 2djt s PHE 13 N -1.69 0.37 0.26 1.40 -0.12 -0.94 -4.97 117.98 112.29 2djt s PHE 13 Ca 0.42 -0.82 0.05 0.00 -0.05 0.00 0.00 56.93 56.54 2djt s PHE 13 Cb -0.12 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 2djt s PHE 13 CO 0.23 -0.39 0.38 -1.54 -0.05 0.00 0.00 175.22 173.86 2djt s SER 14 N -2.61 6.26 -0.19 1.98 1.04 -1.26 -1.38 113.70 117.54 2djt s SER 14 Ca 0.02 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.49 2djt s SER 14 Cb 0.04 -1.75 0.04 0.00 0.10 0.00 0.00 66.02 64.44 2djt s SER 14 CO -0.08 -0.14 -0.13 -0.69 0.98 0.00 0.00 173.24 173.18 2djt s VAL 15 N -2.02 1.73 -0.15 5.02 1.01 0.12 -4.91 120.40 121.19 2djt s VAL 15 Ca 0.36 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2djt s VAL 15 Cb -0.09 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2djt s VAL 15 CO 0.30 0.27 -0.08 -0.70 0.00 0.00 0.00 175.10 174.89 2djt s GLU 16 N 1.38 3.52 0.18 2.72 2.56 -1.25 -2.78 118.70 125.03 2djt s GLU 16 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.97 54.36 2djt s GLU 16 Cb -0.15 -2.79 -0.04 0.00 2.00 0.00 0.00 34.13 33.15 2djt s GLU 16 CO -0.09 0.20 0.12 -0.51 -0.56 0.00 0.00 175.26 174.42 2djt s LEU 17 N 0.43 1.32 -0.19 2.70 1.43 -1.20 -4.98 118.68 118.19 2djt s LEU 17 Ca -0.07 -1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 51.70 2djt s LEU 17 Cb -0.15 0.40 -0.00 0.00 0.03 0.00 0.00 46.19 46.47 2djt s LEU 17 CO 0.04 -0.81 -0.10 -0.69 0.23 0.00 0.00 176.35 175.02 2djt s VAL 18 N -4.12 3.00 -0.78 -1.59 1.01 -1.26 -3.28 120.40 113.38 2djt s VAL 18 Ca 0.33 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2djt s VAL 18 Cb 0.07 -2.32 -0.16 0.00 0.00 0.00 0.00 36.38 33.97 2djt s VAL 18 CO 0.08 0.47 2.58 -1.14 0.00 0.00 0.00 175.10 177.09 2djt n ARG 19 N 4.52 0.44 0.00 2.72 0.63 -1.15 -4.84 116.66 118.98 2djt n ARG 19 Ca -0.19 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 2djt n ARG 19 Cb 0.51 -2.33 0.00 0.00 0.45 0.00 0.00 32.46 31.09 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 6.30 0.85 3.68 5.14 0.00 -0.90 -4.94 105.19 115.31 2djt n GLY 20 Ca 0.54 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 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 1.26 3.33 -1.10 1.61 5.04 -1.26 -4.40 117.35 121.83 2djt s TYR 21 Ca 0.00 0.19 -0.06 0.00 -2.44 0.00 0.00 57.07 54.76 2djt s TYR 21 Cb 0.00 -2.12 0.01 0.00 0.35 0.00 0.00 41.96 40.19 2djt s TYR 21 CO 0.00 0.21 0.96 0.00 -1.34 0.00 0.00 175.55 175.38 2djt n ALA 22 N 3.56 -1.15 0.00 3.97 0.00 -1.26 -4.44 120.51 121.20 2djt n ALA 22 Ca -0.16 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2djt n ALA 22 Cb 0.52 -4.32 0.00 0.00 0.00 0.00 0.00 19.45 15.66 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 -1.67 1.76 0.00 0.00 0.00 -1.26 -3.84 105.19 100.18 2djt n GLY 23 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -1.01 1.61 3.72 -1.26 -2.13 117.46 118.39 2djt n PHE 24 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2djt n PHE 24 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 2.59 0.88 3.58 1.37 0.00 -1.25 -4.00 105.19 108.36 2djt n GLY 25 Ca 0.00 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 3.46 0.07 0.99 2.96 -1.26 -1.18 118.68 123.71 2djt s LEU 26 Ca 0.00 -0.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 2djt s LEU 26 Cb 0.00 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2djt s LEU 26 CO 0.00 0.23 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.15 2djt s THR 27 N -0.00 1.82 -0.13 3.68 2.01 -1.18 -5.04 115.64 116.80 2djt s THR 27 Ca 0.02 -1.39 0.02 0.00 0.31 0.00 0.00 61.69 60.65 2djt s THR 27 Cb -0.13 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.78 2djt s THR 27 CO 0.02 0.14 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.13 2djt s LEU 28 N -1.50 2.26 -0.23 4.42 1.43 -1.26 -1.08 118.68 122.72 2djt s LEU 28 Ca 0.09 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2djt s LEU 28 Cb -0.09 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.66 2djt s LEU 28 CO 0.03 0.12 -0.08 -0.83 0.23 0.00 0.00 176.35 175.82 2djt s GLY 29 N 0.57 1.58 0.00 -3.19 0.00 -1.17 -4.85 107.32 100.26 2djt s GLY 29 Ca -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2djt s GLY 29 CO 0.04 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.20 2djt n GLY 30 N 4.69 0.21 4.04 0.20 0.00 -1.26 -4.22 105.19 108.85 2djt n GLY 30 Ca -0.18 -1.36 0.01 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 -2.09 3.57 -0.02 0.00 -0.76 -4.68 105.19 101.22 2djt n GLY 31 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.49 3.12 0.07 1.61 3.52 -1.23 -1.82 118.95 123.72 2djt s ARG 32 Ca 0.00 0.61 0.08 0.00 -0.13 0.00 0.00 55.73 56.29 2djt s ARG 32 Cb 0.00 -4.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.15 2djt s ARG 32 CO 0.00 -2.15 -0.22 0.34 -0.81 0.00 0.00 175.30 172.47 2djt s ASP 33 N 5.63 2.62 0.58 -2.12 2.15 0.17 -4.50 116.67 121.20 2djt s ASP 33 Ca 0.60 -0.59 0.28 0.00 0.43 0.00 0.00 52.55 53.27 2djt s ASP 33 Cb -0.13 -0.20 1.60 0.00 -0.30 0.00 0.00 42.92 43.90 2djt s ASP 33 CO 0.25 0.14 2.06 1.62 -0.17 0.00 0.00 175.17 179.07 2djt h VAL 34 N 4.23 0.48 -0.94 1.11 3.04 -2.00 0.15 116.25 122.32 2djt h VAL 34 Ca -0.45 0.00 -0.46 0.00 -1.01 0.00 0.00 66.70 64.79 2djt h VAL 34 Cb 1.16 0.80 -0.27 0.00 -2.01 0.00 0.00 31.29 30.97 2djt h VAL 34 CO 0.42 0.00 0.58 0.00 -1.01 0.00 0.00 177.57 177.56 2djt n ALA 35 N -2.36 5.39 0.00 3.17 0.00 -1.26 -4.95 120.51 120.51 2djt n ALA 35 Ca 0.03 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.70 2djt n ALA 35 Cb 0.39 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.94 4.77 3.24 0.00 0.00 0.54 -5.09 105.19 107.70 2djt n GLY 36 Ca 0.56 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 5.26 0.13 1.61 -4.77 -1.25 -0.65 116.67 117.00 2djt s ASP 37 Ca 0.00 -1.28 0.08 0.00 -3.30 0.00 0.00 52.55 48.05 2djt s ASP 37 Cb 0.00 -1.85 -0.04 0.00 -1.09 0.00 0.00 42.92 39.95 2djt s ASP 37 CO 0.00 -0.35 -0.18 0.42 0.70 0.00 0.00 175.17 175.76 2djt s THR 38 N 1.35 1.63 -0.13 2.11 -4.23 -0.76 -4.95 115.64 110.66 2djt s THR 38 Ca -0.01 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.48 2djt s THR 38 Cb -0.20 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 2djt s THR 38 CO 0.01 -0.26 1.55 -2.16 -0.54 0.00 0.00 174.62 173.23 2djt s PRO 39 N -2.45 4.07 -0.05 3.99 0.04 -1.26 -1.82 135.00 137.52 2djt s PRO 39 Ca 0.10 1.90 -0.37 0.00 0.04 0.00 0.00 61.00 62.68 2djt s PRO 39 Cb -0.07 -3.95 -0.15 0.00 0.04 0.00 0.00 34.50 30.37 2djt s PRO 39 CO 0.05 -0.96 1.64 1.28 0.04 0.00 0.00 177.00 179.05 2djt n LEU 40 N 7.43 2.59 -3.85 -3.56 4.77 -1.26 -4.48 117.00 118.65 2djt n LEU 40 Ca 0.17 1.06 -0.12 0.00 -0.03 0.00 0.00 56.01 57.10 2djt n LEU 40 Cb 0.44 -1.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.15 2djt n LEU 40 CO 0.62 -0.47 -0.21 0.00 -1.33 0.00 0.00 177.39 176.00 2djt s ALA 41 N 2.33 -0.31 -0.28 -1.18 0.00 -1.26 -1.21 121.76 119.85 2djt s ALA 41 Ca 0.89 0.15 -0.40 0.00 0.00 0.00 0.00 51.96 52.60 2djt s ALA 41 Cb -0.87 -0.09 -0.16 0.00 0.00 0.00 0.00 23.12 22.00 2djt s ALA 41 CO 0.52 -0.12 1.72 0.28 0.00 0.00 0.00 175.76 178.16 2djt n VAL 42 N 2.39 0.28 -0.00 0.00 0.31 -1.13 -3.02 118.33 117.16 2djt n VAL 42 Ca -0.17 -0.05 -0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2djt n VAL 42 Cb 0.58 -1.17 -0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 5.20 0.01 -4.43 5.55 0.00 -0.24 -2.56 116.66 120.20 2djt n ARG 43 Ca 0.26 0.24 -0.26 0.00 -0.00 0.00 0.00 57.85 58.10 2djt n ARG 43 Cb 0.12 -0.76 -0.11 0.00 0.00 0.00 0.00 32.46 31.71 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 -2.55 1.77 -0.28 5.14 0.00 -1.25 -4.82 107.32 105.33 2djt s GLY 44 Ca -0.00 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.03 2djt s GLY 44 CO 0.00 -1.76 -0.03 1.08 0.00 0.00 0.00 173.10 172.39 2djt s LEU 45 N -2.97 3.65 -0.21 0.66 1.43 -1.26 -3.13 118.68 116.85 2djt s LEU 45 Ca 0.24 -1.62 -0.42 0.00 -1.03 0.00 0.00 54.13 51.29 2djt s LEU 45 Cb -0.07 -1.47 -0.19 0.00 0.03 0.00 0.00 46.19 44.49 2djt s LEU 45 CO 0.12 -0.27 1.37 -0.11 0.23 0.00 0.00 176.35 177.68 2djt n LEU 46 N 4.44 0.84 -4.72 1.79 -0.00 -0.33 -4.80 117.00 114.23 2djt n LEU 46 Ca -0.07 1.16 -0.42 0.00 -0.00 0.00 0.00 56.01 56.68 2djt n LEU 46 Cb 0.42 -0.95 -0.03 0.00 -0.00 0.00 0.00 43.42 42.86 2djt n LEU 46 CO 0.20 -1.27 1.37 -0.75 -0.00 0.00 0.00 177.39 176.93 2djt s LYS 47 N 1.55 4.13 -1.27 1.96 2.36 -1.26 -2.17 119.74 125.03 2djt s LYS 47 Ca 0.97 2.60 -0.06 0.00 -2.55 0.00 0.00 55.97 56.92 2djt s LYS 47 Cb -1.31 -3.08 0.01 0.00 -1.05 0.00 0.00 37.83 32.39 2djt s LYS 47 CO 0.67 -0.75 1.10 -3.47 1.55 0.00 0.00 175.35 174.45 2djt n ASP 48 N 4.00 -5.10 -4.92 1.43 -0.08 -1.26 -5.01 116.55 105.61 2djt n ASP 48 Ca 0.16 -0.54 -0.21 0.00 -1.51 0.00 0.00 54.79 52.68 2djt n ASP 48 Cb 0.35 -4.91 -0.01 0.00 2.34 0.00 0.00 41.12 38.90 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2djt s GLY 49 N -3.59 2.10 0.43 0.27 0.00 -0.92 -4.98 107.32 100.63 2djt s GLY 49 Ca 0.41 -1.77 0.22 0.00 0.00 0.00 0.00 44.72 43.57 2djt s GLY 49 CO 0.71 -1.72 1.85 -0.56 0.00 0.00 0.00 173.10 173.37 2djt h PRO 50 N 0.80 0.00 0.02 2.90 0.13 -1.89 -1.72 132.00 132.24 2djt h PRO 50 Ca -0.38 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.59 2djt h PRO 50 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2djt h PRO 50 CO 0.53 0.27 -0.85 0.00 -0.23 0.00 0.00 178.00 177.73 2djt h ALA 51 N 1.73 0.15 -0.73 -0.56 0.00 -1.92 -2.97 119.26 114.96 2djt h ALA 51 Ca -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 2djt h ALA 51 Cb 0.70 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2djt h ALA 51 CO 0.04 0.48 0.36 0.37 0.00 0.00 0.00 179.25 180.49 2djt h GLN 52 N -0.87 1.03 -0.13 0.00 5.75 -1.80 -2.41 115.11 116.68 2djt h GLN 52 Ca -0.22 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.10 2djt h GLN 52 Cb 1.29 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 2djt h GLN 52 CO -0.09 0.79 -0.11 0.00 -2.65 0.00 0.00 178.83 176.78 2djt h ARG 53 N 1.03 0.30 -0.79 1.69 3.08 -1.47 -3.08 114.38 115.14 2djt h ARG 53 Ca 0.25 -0.15 0.14 0.00 0.07 0.00 0.00 59.98 60.29 2djt h ARG 53 Cb 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 2djt h ARG 53 CO -0.03 0.68 0.52 0.00 -1.07 0.00 0.00 179.97 180.07 2djt n GLY 55 N -1.49 1.52 0.39 0.00 0.00 -0.93 -4.78 105.19 99.90 2djt n GLY 55 Ca 0.15 -0.18 0.34 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.04 -3.93 1.61 1.74 -1.26 -3.84 116.66 110.94 2djt n ARG 56 Ca 0.00 1.15 -0.35 0.00 -0.77 0.00 0.00 57.85 57.88 2djt n ARG 56 Cb 0.00 -2.22 -0.12 0.00 -1.02 0.00 0.00 32.46 29.10 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 -9.28 3.44 0.07 0.55 1.43 -1.26 -5.09 118.68 108.54 2djt s LEU 57 Ca -0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2djt s LEU 57 Cb 0.28 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2djt s LEU 57 CO 0.72 0.04 -0.05 -1.61 0.23 0.00 0.00 176.35 175.69 2djt s GLU 58 N 1.15 0.69 0.16 1.70 2.02 -1.25 -4.59 118.70 118.58 2djt s GLU 58 Ca 0.04 -1.22 -0.32 0.00 0.02 0.00 0.00 54.97 53.49 2djt s GLU 58 Cb -0.14 -0.01 -0.12 0.00 0.10 0.00 0.00 34.13 33.95 2djt s GLU 58 CO 0.03 -0.06 1.75 0.28 0.02 0.00 0.00 175.26 177.28 2djt n VAL 59 N 0.19 0.16 0.00 2.63 0.31 -1.26 -2.45 118.33 117.90 2djt n VAL 59 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2djt n VAL 59 Cb 0.60 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 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 4.00 1.69 3.33 2.92 0.00 -1.06 -4.99 105.19 111.08 2djt n GLY 60 Ca 0.17 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 0.07 -2.70 -4.38 1.61 8.00 -1.03 -4.68 116.55 113.45 2djt n ASP 61 Ca 0.00 0.70 -0.34 0.00 0.71 0.00 0.00 54.79 55.86 2djt n ASP 61 Cb 0.00 -0.96 -0.14 0.00 -0.02 0.00 0.00 41.12 40.00 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 3.52 2.94 -0.17 0.64 1.43 -1.26 -2.84 118.68 122.94 2djt s LEU 62 Ca 0.61 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 2djt s LEU 62 Cb -0.49 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2djt s LEU 62 CO 0.62 0.08 0.56 -0.69 0.23 0.00 0.00 176.35 177.15 2djt s VAL 63 N 0.87 5.09 -0.06 -1.59 1.01 -0.35 -2.63 120.40 122.75 2djt s VAL 63 Ca -0.02 1.06 0.13 0.00 0.00 0.00 0.00 61.98 63.15 2djt s VAL 63 Cb -0.15 -3.88 -0.19 0.00 0.00 0.00 0.00 36.38 32.16 2djt s VAL 63 CO 0.01 0.19 0.20 0.18 0.00 0.00 0.00 175.10 175.68 2djt n LEU 64 N 4.56 0.00 -3.91 3.92 4.32 -1.03 -4.60 117.00 120.27 2djt n LEU 64 Ca -0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.86 2djt n LEU 64 Cb 0.50 0.12 -0.01 0.00 -1.62 0.00 0.00 43.42 42.41 2djt n LEU 64 CO 0.43 0.12 0.38 -1.00 -1.22 0.00 0.00 177.39 176.10 2djt s HIS 65 N -2.69 0.26 -0.22 -1.77 3.76 -1.25 -4.22 115.29 109.15 2djt s HIS 65 Ca -0.05 -0.75 -0.16 0.00 -0.15 0.00 0.00 55.06 53.95 2djt s HIS 65 Cb 0.07 0.52 0.06 0.00 1.11 0.00 0.00 32.58 34.34 2djt s HIS 65 CO 0.54 -1.30 0.57 0.42 -0.85 0.00 0.00 174.74 174.11 2djt s ILE 66 N -3.16 -0.01 -1.63 0.60 1.01 -1.20 -2.28 121.20 114.54 2djt s ILE 66 Ca 0.18 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.72 2djt s ILE 66 Cb -0.04 -0.81 0.12 0.00 0.01 0.00 0.00 42.46 41.74 2djt s ILE 66 CO 0.12 0.01 0.67 0.59 0.00 0.00 0.00 174.94 176.33 2djt n ASN 67 N 3.58 -2.45 -2.80 3.58 5.03 -0.62 0.42 115.26 121.99 2djt n ASN 67 Ca -0.18 -1.02 -0.22 0.00 0.87 0.00 0.00 54.58 54.03 2djt n ASN 67 Cb 0.57 -2.78 0.02 0.00 -1.02 0.00 0.00 39.78 36.56 2djt n ASN 67 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2djt n GLY 68 N -1.59 -0.52 3.68 7.41 0.00 -1.26 -4.99 105.19 107.94 2djt n GLY 68 Ca -0.03 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.47 2.07 -0.38 1.61 2.02 0.17 -5.12 118.70 113.59 2djt s GLU 69 Ca 0.20 -2.20 -0.09 0.00 0.02 0.00 0.00 54.97 52.89 2djt s GLU 69 Cb -0.09 -1.63 0.05 0.00 0.10 0.00 0.00 34.13 32.57 2djt s GLU 69 CO 0.24 -0.18 0.20 -1.54 0.02 0.00 0.00 175.26 174.00 2djt s SER 70 N -3.79 5.60 -0.00 -0.19 1.04 -1.26 -3.26 113.70 111.83 2djt s SER 70 Ca 0.24 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2djt s SER 70 Cb 0.06 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2djt s SER 70 CO 0.13 -0.43 0.98 1.07 0.98 0.00 0.00 173.24 175.97 2djt n THR 71 N 4.92 0.01 0.18 2.02 5.66 -1.26 -3.87 114.28 121.94 2djt n THR 71 Ca -0.11 -0.01 0.12 0.00 -3.05 0.00 0.00 64.05 61.00 2djt n THR 71 Cb 0.44 -0.02 0.66 0.00 -1.55 0.00 0.00 70.33 69.86 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 0.03 0.00 0.00 1.09 4.15 -1.92 -2.56 115.11 115.90 2djt h GLN 72 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2djt h GLN 72 Cb 0.03 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 2djt h GLN 72 CO 0.00 0.00 -0.28 0.41 -1.93 0.00 0.00 178.83 177.03 2djt n GLY 73 N -1.57 3.67 3.42 2.39 0.00 -1.25 -5.03 105.19 106.81 2djt n GLY 73 Ca 0.01 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.09 2.70 0.00 0.99 1.43 -0.97 -5.10 118.68 115.65 2djt s LEU 74 Ca 0.26 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2djt s LEU 74 Cb 0.24 -1.57 0.09 0.00 0.03 0.00 0.00 46.19 44.98 2djt s LEU 74 CO -0.01 0.26 0.63 0.35 0.23 0.00 0.00 176.35 177.81 2djt n THR 75 N 2.91 0.00 0.02 5.49 -2.24 -1.26 -4.70 114.28 114.50 2djt n THR 75 Ca -0.18 -0.88 -0.10 0.00 -2.27 0.00 0.00 64.05 60.62 2djt n THR 75 Cb 0.52 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.67 -0.57 -0.42 4.78 2.76 -1.86 0.21 115.15 119.38 2djt h HIS 76 Ca -0.21 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.04 2djt h HIS 76 Cb 0.73 0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.91 2djt h HIS 76 CO 0.00 -0.30 0.15 0.00 -1.30 0.00 0.00 177.93 176.48 2djt h ALA 77 N 0.65 0.49 0.92 5.26 0.00 -1.95 -0.34 119.26 124.29 2djt h ALA 77 Ca 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2djt h ALA 77 Cb 0.42 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2djt h ALA 77 CO -0.26 -0.24 -0.44 1.96 0.00 0.00 0.00 179.25 180.27 2djt h GLN 78 N 0.31 -1.19 -0.70 0.00 1.08 -1.78 0.36 115.11 113.18 2djt h GLN 78 Ca 0.19 0.08 0.15 0.00 -1.45 0.00 0.00 58.65 57.63 2djt h GLN 78 Cb 0.18 0.27 -0.12 0.00 -0.05 0.00 0.00 27.48 27.76 2djt h GLN 78 CO -0.20 -0.80 0.03 0.00 -0.95 0.00 0.00 178.83 176.92 2djt h ALA 79 N -1.40 0.74 0.23 3.87 0.00 -0.50 -0.21 119.26 122.00 2djt h ALA 79 Ca -0.13 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2djt h ALA 79 Cb 0.95 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2djt h ALA 79 CO 0.21 -0.40 -0.11 0.28 0.00 0.00 0.00 179.25 179.23 2djt h VAL 80 N 0.13 0.80 -0.81 0.00 2.07 -0.96 -2.77 116.25 114.71 2djt h VAL 80 Ca 0.38 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.95 2djt h VAL 80 Cb 0.65 0.86 -0.09 0.00 -1.52 0.00 0.00 31.29 31.18 2djt h VAL 80 CO -0.59 0.02 0.39 -0.08 0.02 0.00 0.00 177.57 177.33 2djt h GLU 81 N -0.36 0.54 -0.51 1.57 4.57 0.17 -0.89 114.58 119.67 2djt h GLU 81 Ca -0.03 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 2djt h GLU 81 Cb 0.27 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 2djt h GLU 81 CO 0.05 0.35 0.19 0.00 -1.18 0.00 0.00 179.01 178.42 2djt h ARG 82 N 0.55 0.36 0.61 1.92 2.47 -0.83 -0.30 114.38 119.16 2djt h ARG 82 Ca 0.45 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.12 2djt h ARG 82 Cb 0.65 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 2djt h ARG 82 CO -0.38 0.24 -0.50 0.82 0.56 0.00 0.00 179.97 180.70 2djt h ILE 83 N 0.37 0.00 -0.40 2.04 2.04 -0.90 0.26 117.51 120.91 2djt h ILE 83 Ca 0.24 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.18 2djt h ILE 83 Cb 0.25 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.26 2djt h ILE 83 CO -0.24 0.00 -0.10 0.03 0.00 0.00 0.00 178.15 177.84 2djt h ARG 84 N -1.08 0.00 0.00 2.37 3.08 -1.27 0.10 114.38 117.58 2djt h ARG 84 Ca -0.08 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2djt h ARG 84 Cb 0.91 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 2djt h ARG 84 CO -0.00 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 178.83 2djt h ALA 85 N 1.40 1.68 -1.13 0.04 0.00 -0.86 -2.57 119.26 117.83 2djt h ALA 85 Ca 0.19 -0.06 0.31 0.00 0.00 0.00 0.00 54.91 55.35 2djt h ALA 85 Cb 0.29 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2djt h ALA 85 CO -0.41 0.09 0.76 0.78 0.00 0.00 0.00 179.25 180.46 2djt h GLY 86 N 0.28 0.76 0.00 0.00 0.00 0.22 -3.47 103.07 100.85 2djt h GLY 86 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2djt h GLY 86 CO 0.01 -0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.05 2djt n GLY 87 N -1.59 0.61 0.20 4.60 0.00 -0.97 -4.73 105.19 103.31 2djt n GLY 87 Ca 0.27 -2.14 0.14 0.00 0.00 0.00 0.00 46.02 44.29 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 -5.44 1.61 0.13 -1.92 -3.43 132.00 122.96 2djt h PRO 88 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 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 0.00 -0.68 -0.65 -0.23 0.00 0.00 178.00 176.44 2djt s GLN 89 N -3.48 3.49 -0.07 0.86 -0.21 -1.26 -2.93 119.66 116.06 2djt s GLN 89 Ca 0.03 -0.54 -0.17 0.00 0.02 0.00 0.00 55.36 54.70 2djt s GLN 89 Cb 0.09 -2.83 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 2djt s GLN 89 CO 0.45 0.32 0.44 -1.17 -2.12 0.00 0.00 175.29 173.21 2djt s LEU 90 N 0.15 4.35 -0.19 2.90 0.20 -1.20 -4.84 118.68 120.05 2djt s LEU 90 Ca -0.02 0.86 -0.01 0.00 0.69 0.00 0.00 54.13 55.65 2djt s LEU 90 Cb -0.14 -2.64 0.05 0.00 -0.43 0.00 0.00 46.19 43.03 2djt s LEU 90 CO 0.03 0.13 -0.03 -2.28 -0.29 0.00 0.00 176.35 173.91 2djt s HIS 91 N -0.04 1.71 -0.01 5.38 2.46 -1.22 -3.25 115.29 120.32 2djt s HIS 91 Ca 0.24 -1.21 0.03 0.00 0.47 0.00 0.00 55.06 54.60 2djt s HIS 91 Cb -0.16 -1.31 -0.01 0.00 -0.13 0.00 0.00 32.58 30.98 2djt s HIS 91 CO 0.11 -0.66 -0.09 -0.51 -2.47 0.00 0.00 174.74 171.12 2djt s LEU 92 N 1.63 1.97 -0.23 8.88 1.43 -1.12 -1.60 118.68 129.64 2djt s LEU 92 Ca -0.02 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2djt s LEU 92 Cb -0.17 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 2djt s LEU 92 CO -0.07 0.11 0.19 -0.69 0.23 0.00 0.00 176.35 176.11 2djt s VAL 93 N -0.13 5.34 0.04 -1.59 1.01 -0.96 0.10 120.40 124.21 2djt s VAL 93 Ca 0.02 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.31 2djt s VAL 93 Cb -0.05 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2djt s VAL 93 CO -0.00 0.35 -0.14 -0.63 0.00 0.00 0.00 175.10 174.67 2djt s ILE 94 N 1.00 1.10 -0.32 2.22 -1.09 -0.48 -2.47 121.20 121.16 2djt s ILE 94 Ca 0.09 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2djt s ILE 94 Cb -0.13 -1.01 0.10 0.00 -1.58 0.00 0.00 42.46 39.84 2djt s ILE 94 CO 0.04 -0.02 0.09 -0.60 -1.23 0.00 0.00 174.94 173.22 2djt s ARG 95 N -1.20 0.91 -0.62 2.79 3.52 -1.08 -2.22 118.95 121.05 2djt s ARG 95 Ca 0.01 -1.29 -0.34 0.00 -0.13 0.00 0.00 55.73 53.98 2djt s ARG 95 Cb -0.08 -2.28 -0.16 0.00 -1.56 0.00 0.00 34.95 30.87 2djt s ARG 95 CO 0.01 -0.98 2.39 -2.13 -0.81 0.00 0.00 175.30 173.78 2djt n ARG 96 N 4.67 0.50 -2.23 5.12 0.63 -1.26 -4.53 116.66 119.55 2djt n ARG 96 Ca -0.00 0.09 -0.41 0.00 -0.92 0.00 0.00 57.85 56.60 2djt n ARG 96 Cb 0.42 -2.13 -0.03 0.00 0.45 0.00 0.00 32.46 31.17 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 7.48 4.41 0.81 -0.14 0.04 -1.26 -5.01 135.00 141.34 2djt s PRO 97 Ca 1.19 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 64.16 2djt s PRO 97 Cb -1.00 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 30.45 2djt s PRO 97 CO 0.48 -0.19 1.13 -0.48 0.04 0.00 0.00 177.00 177.98 2djt s LEU 98 N -0.50 3.03 0.14 -3.56 0.05 -1.26 -5.06 118.68 111.52 2djt s LEU 98 Ca 0.54 2.06 -0.00 0.00 0.05 0.00 0.00 54.13 56.78 2djt s LEU 98 Cb -0.36 -4.55 -0.04 0.00 -2.05 0.00 0.00 46.19 39.18 2djt s LEU 98 CO 0.41 -2.47 0.04 -0.44 -0.55 0.00 0.00 176.35 173.34 2djt s SER 99 N -2.84 0.56 0.00 1.48 0.01 -1.26 -5.13 113.70 106.52 2djt s SER 99 Ca 0.66 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2djt s SER 99 Cb -0.21 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2djt s SER 99 CO 0.54 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2djt n GLY 100 N -0.14 0.47 3.55 3.44 0.00 -1.26 -4.98 105.19 106.27 2djt n GLY 100 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 2.61 1.14 1.61 0.04 -1.26 -4.97 135.00 134.17 2djt s PRO 101 Ca 0.00 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 2djt s PRO 101 Cb 0.00 -4.47 0.15 0.00 0.04 0.00 0.00 34.50 30.23 2djt s PRO 101 CO 0.00 -2.81 0.20 -1.13 0.04 0.00 0.00 177.00 173.30 2djt n SER 102 N 12.92 -2.34 -4.18 6.66 3.41 -1.26 -5.01 113.62 123.83 2djt n SER 102 Ca 0.23 -0.17 -0.32 0.00 -0.26 0.00 0.00 58.87 58.35 2djt n SER 102 Cb 0.52 -1.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.30 2djt n SER 102 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2djt s SER 103 N -1.96 3.02 0.00 4.04 0.01 -1.26 -5.28 113.70 112.28 2djt s SER 103 Ca 0.58 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2djt s SER 103 Cb -0.14 -1.39 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2djt s SER 103 CO 0.65 0.10 0.00 0.61 0.41 0.00 0.00 173.24 175.02