#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 0.44 0.01 1.61 1.04 -1.26 -5.10 113.70 110.44 2djt s SER 2 Ca 0.00 -1.21 -0.31 0.00 0.48 0.00 0.00 55.95 54.91 2djt s SER 2 Cb 0.00 0.27 -0.15 0.00 0.10 0.00 0.00 66.02 66.24 2djt s SER 2 CO 0.00 -0.71 0.81 -0.24 0.98 0.00 0.00 173.24 174.07 2djt n SER 3 N -0.12 -0.08 -4.78 7.02 2.88 -1.26 -4.86 113.62 112.41 2djt n SER 3 Ca -0.05 0.91 -0.37 0.00 -1.33 0.00 0.00 58.87 58.02 2djt n SER 3 Cb 0.64 -0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 63.31 2djt n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2djt s GLY 4 N -0.06 2.79 -0.45 0.46 0.00 -1.26 -4.96 107.32 103.85 2djt s GLY 4 Ca 0.70 0.47 -0.27 0.00 0.00 0.00 0.00 44.72 45.61 2djt s GLY 4 CO 0.45 0.90 2.08 -0.56 0.00 0.00 0.00 173.10 175.97 2djt s SER 5 N -1.59 5.17 -0.41 1.64 0.01 -1.26 -4.86 113.70 112.40 2djt s SER 5 Ca 0.48 1.04 -0.44 0.00 1.31 0.00 0.00 55.95 58.35 2djt s SER 5 Cb -0.19 -2.52 -0.18 0.00 0.21 0.00 0.00 66.02 63.35 2djt s SER 5 CO 0.24 -2.32 1.72 -1.20 0.41 0.00 0.00 173.24 172.09 2djt n SER 6 N 13.03 1.66 0.00 2.44 7.64 -1.26 -4.34 113.62 132.78 2djt n SER 6 Ca 0.28 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2djt n SER 6 Cb 0.51 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2djt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djt n GLY 7 N 4.44 0.80 3.15 0.23 0.00 -1.26 -5.02 105.19 107.54 2djt n GLY 7 Ca 0.32 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.70 0.03 1.61 -0.21 -1.26 -5.06 119.66 115.47 2djt s GLN 8 Ca 0.00 -0.89 -0.18 0.00 0.02 0.00 0.00 55.36 54.31 2djt s GLN 8 Cb 0.00 0.27 -0.20 0.00 1.00 0.00 0.00 33.01 34.08 2djt s GLN 8 CO 0.00 -0.19 1.18 0.00 -2.12 0.00 0.00 175.29 174.16 2djt h ALA 9 N 3.22 0.15 -3.16 6.09 0.00 -1.95 -3.39 119.26 120.21 2djt h ALA 9 Ca -0.33 -0.55 -0.67 0.00 0.00 0.00 0.00 54.91 53.35 2djt h ALA 9 Cb 1.18 0.01 -0.38 0.00 0.00 0.00 0.00 17.79 18.61 2djt h ALA 9 CO 0.55 0.41 -0.41 -1.54 0.00 0.00 0.00 179.25 178.26 2djt s SER 10 N -6.78 5.07 0.19 0.00 1.04 -1.26 -5.05 113.70 106.91 2djt s SER 10 Ca -0.13 -3.20 -0.23 0.00 0.48 0.00 0.00 55.95 52.87 2djt s SER 10 Cb 0.05 -1.78 0.05 0.00 0.10 0.00 0.00 66.02 64.44 2djt s SER 10 CO 0.84 -0.26 0.75 -0.83 0.98 0.00 0.00 173.24 174.72 2djt s GLY 11 N -0.03 -0.31 -0.02 7.32 0.00 -1.26 -5.12 107.32 107.89 2djt s GLY 11 Ca 0.20 0.16 -0.31 0.00 0.00 0.00 0.00 44.72 44.77 2djt s GLY 11 CO -0.06 0.05 1.97 1.42 0.00 0.00 0.00 173.10 176.48 2djt n HIS 12 N -0.41 2.41 -3.95 1.90 8.25 -1.26 -4.85 115.22 117.30 2djt n HIS 12 Ca -0.09 -0.25 -0.26 0.00 -0.26 0.00 0.00 57.72 56.87 2djt n HIS 12 Cb 0.61 -2.76 -0.03 0.00 1.12 0.00 0.00 29.99 28.94 2djt n HIS 12 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2djt s PHE 13 N 4.68 3.48 -0.05 4.41 -0.71 -1.02 -4.94 117.98 123.83 2djt s PHE 13 Ca 0.91 0.10 -0.03 0.00 -1.04 0.00 0.00 56.93 56.88 2djt s PHE 13 Cb -0.51 -1.66 -0.04 0.00 -1.21 0.00 0.00 43.02 39.60 2djt s PHE 13 CO 0.45 0.51 0.11 -1.54 -1.34 0.00 0.00 175.22 173.41 2djt s SER 14 N -3.29 5.98 -0.24 1.98 1.04 -1.26 -1.47 113.70 116.44 2djt s SER 14 Ca 0.34 0.28 -0.02 0.00 0.48 0.00 0.00 55.95 57.03 2djt s SER 14 Cb -0.11 -1.82 0.02 0.00 0.10 0.00 0.00 66.02 64.22 2djt s SER 14 CO 0.28 0.32 -0.06 -0.69 0.98 0.00 0.00 173.24 174.07 2djt s VAL 15 N -1.14 2.93 0.04 5.02 1.01 0.19 -4.91 120.40 123.54 2djt s VAL 15 Ca 0.21 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2djt s VAL 15 Cb -0.12 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2djt s VAL 15 CO 0.11 0.26 -0.20 -1.83 0.00 0.00 0.00 175.10 173.44 2djt s GLU 16 N 1.35 2.00 0.25 2.72 -1.05 -1.26 -1.75 118.70 120.96 2djt s GLU 16 Ca 0.02 -1.02 -0.06 0.00 -0.15 0.00 0.00 54.97 53.76 2djt s GLU 16 Cb -0.16 -2.14 -0.02 0.00 -0.44 0.00 0.00 34.13 31.38 2djt s GLU 16 CO -0.05 0.53 0.34 -0.51 0.95 0.00 0.00 175.26 176.53 2djt s LEU 17 N -1.41 0.78 -0.22 1.83 1.43 -1.24 -4.97 118.68 114.89 2djt s LEU 17 Ca 0.14 -1.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.03 2djt s LEU 17 Cb -0.10 1.17 0.03 0.00 0.03 0.00 0.00 46.19 47.32 2djt s LEU 17 CO 0.05 -1.05 -0.14 -0.69 0.23 0.00 0.00 176.35 174.74 2djt s VAL 18 N -3.89 2.30 -0.41 -1.59 1.01 -1.26 -3.15 120.40 113.41 2djt s VAL 18 Ca 0.30 -1.15 -0.43 0.00 0.00 0.00 0.00 61.98 60.70 2djt s VAL 18 Cb 0.02 -2.13 -0.18 0.00 0.00 0.00 0.00 36.38 34.10 2djt s VAL 18 CO 0.13 0.30 1.77 -1.14 0.00 0.00 0.00 175.10 176.15 2djt n ARG 19 N 4.58 0.50 0.00 2.72 0.63 -1.22 -4.90 116.66 118.96 2djt n ARG 19 Ca -0.18 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2djt n ARG 19 Cb 0.47 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.59 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 4.72 1.43 0.67 5.14 0.00 -1.21 -5.01 105.19 110.93 2djt n GLY 20 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.00 -3.82 1.61 4.19 -1.26 -4.91 117.16 112.97 2djt n TYR 21 Ca 0.00 0.00 -0.29 0.00 3.31 0.00 0.00 57.90 60.92 2djt n TYR 21 Cb 0.00 -0.37 -0.13 0.00 0.49 0.00 0.00 39.34 39.33 2djt n TYR 21 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2djt s ALA 22 N -2.21 3.10 0.00 2.98 0.00 -1.26 -5.08 121.76 119.29 2djt s ALA 22 Ca -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.51 2djt s ALA 22 Cb 0.05 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.13 2djt s ALA 22 CO 0.19 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.30 2djt n GLY 23 N 2.67 1.38 0.03 0.00 0.00 -1.26 -4.22 105.19 103.79 2djt n GLY 23 Ca 0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 5.39 0.00 -0.95 1.61 3.01 -1.26 -3.31 117.46 121.94 2djt n PHE 24 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2djt n PHE 24 Cb 0.00 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 2djt n PHE 24 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2djt n GLY 25 N 2.34 0.67 3.53 1.37 0.00 -1.26 -3.33 105.19 108.51 2djt n GLY 25 Ca -0.10 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 3.53 0.23 0.99 2.96 -1.26 -0.97 118.68 124.16 2djt s LEU 26 Ca 0.00 -0.08 0.11 0.00 -0.22 0.00 0.00 54.13 53.94 2djt s LEU 26 Cb 0.00 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2djt s LEU 26 CO 0.00 0.10 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.04 2djt s THR 27 N 0.80 2.26 -0.15 3.68 2.01 -1.19 -5.05 115.64 118.00 2djt s THR 27 Ca 0.02 -2.20 0.00 0.00 0.31 0.00 0.00 61.69 59.83 2djt s THR 27 Cb -0.14 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.25 2djt s THR 27 CO 0.02 -0.32 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.77 2djt s LEU 28 N -3.10 1.68 -0.48 4.42 1.43 -1.26 -1.30 118.68 120.07 2djt s LEU 28 Ca 0.24 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.60 2djt s LEU 28 Cb -0.06 -1.07 0.05 0.00 0.03 0.00 0.00 46.19 45.14 2djt s LEU 28 CO 0.11 -0.11 0.58 -0.83 0.23 0.00 0.00 176.35 176.34 2djt s GLY 29 N 1.54 1.80 0.00 -3.19 0.00 -0.88 -4.83 107.32 101.76 2djt s GLY 29 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.10 2djt s GLY 29 CO -0.09 1.40 0.00 0.61 0.00 0.00 0.00 173.10 175.02 2djt n GLY 30 N 5.14 0.29 7.00 0.20 0.00 -1.26 -4.31 105.19 112.25 2djt n GLY 30 Ca -0.06 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.40 3.61 -0.02 0.00 -0.14 -4.70 105.19 102.53 2djt n GLY 31 Ca 0.00 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 3.29 0.16 1.61 6.06 -1.26 -1.51 118.95 127.30 2djt s ARG 32 Ca 0.00 1.86 0.06 0.00 -2.50 0.00 0.00 55.73 55.15 2djt s ARG 32 Cb 0.00 -4.29 -0.04 0.00 0.06 0.00 0.00 34.95 30.68 2djt s ARG 32 CO 0.00 -1.92 0.05 0.34 -2.50 0.00 0.00 175.30 171.27 2djt s ASP 33 N 7.16 5.10 0.00 -2.12 2.15 0.18 -4.04 116.67 125.10 2djt s ASP 33 Ca 0.92 -0.26 0.15 0.00 0.43 0.00 0.00 52.55 53.79 2djt s ASP 33 Cb -0.30 -1.21 0.66 0.00 -0.30 0.00 0.00 42.92 41.78 2djt s ASP 33 CO 0.35 0.10 1.45 1.33 -0.17 0.00 0.00 175.17 178.22 2djt n VAL 34 N -0.08 0.88 -0.00 1.11 0.24 -1.26 -2.51 118.33 116.70 2djt n VAL 34 Ca -0.09 0.22 0.03 0.00 -2.04 0.00 0.00 64.34 62.45 2djt n VAL 34 Cb 0.54 -0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 31.90 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 -1.44 2.20 -3.33 2.33 0.00 -1.26 -5.10 120.51 113.91 2djt n ALA 35 Ca 0.05 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2djt n ALA 35 Cb 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 19.45 19.43 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 2.19 1.07 2.87 0.00 0.00 -1.05 -5.14 105.19 105.14 2djt n GLY 36 Ca -0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.90 4.02 0.10 1.61 1.47 -1.26 0.49 116.67 121.20 2djt s ASP 37 Ca 0.08 -1.50 0.04 0.00 1.18 0.00 0.00 52.55 52.36 2djt s ASP 37 Cb -0.01 -1.12 -0.04 0.00 -0.34 0.00 0.00 42.92 41.41 2djt s ASP 37 CO 0.02 -0.33 0.08 0.42 0.68 0.00 0.00 175.17 176.04 2djt s THR 38 N 1.40 4.45 -0.14 2.11 -4.23 -0.57 -4.97 115.64 113.69 2djt s THR 38 Ca 0.03 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 59.37 2djt s THR 38 Cb -0.18 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 2djt s THR 38 CO -0.13 0.07 1.56 -2.16 -0.54 0.00 0.00 174.62 173.41 2djt s PRO 39 N -2.56 4.05 0.19 3.99 0.04 -1.26 -0.97 135.00 138.49 2djt s PRO 39 Ca 0.29 1.88 -0.33 0.00 0.04 0.00 0.00 61.00 62.89 2djt s PRO 39 Cb -0.12 -3.96 -0.13 0.00 0.04 0.00 0.00 34.50 30.34 2djt s PRO 39 CO 0.22 -0.98 1.69 1.28 0.04 0.00 0.00 177.00 179.24 2djt n LEU 40 N 7.50 3.75 -3.55 -3.56 4.77 -1.26 -4.28 117.00 120.37 2djt n LEU 40 Ca 0.17 1.07 -0.17 0.00 -0.03 0.00 0.00 56.01 57.05 2djt n LEU 40 Cb 0.44 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 2djt n LEU 40 CO 0.62 0.05 0.45 0.00 -1.33 0.00 0.00 177.39 177.18 2djt s ALA 41 N 1.11 -1.78 -0.11 -1.18 0.00 -1.26 -1.28 121.76 117.26 2djt s ALA 41 Ca 0.76 1.50 -0.39 0.00 0.00 0.00 0.00 51.96 53.83 2djt s ALA 41 Cb -0.55 -0.31 -0.17 0.00 0.00 0.00 0.00 23.12 22.09 2djt s ALA 41 CO 0.34 -0.36 1.49 0.28 0.00 0.00 0.00 175.76 177.51 2djt n VAL 42 N 1.33 0.12 -0.03 0.00 0.31 -0.95 -2.08 118.33 117.03 2djt n VAL 42 Ca -0.18 -0.02 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 2djt n VAL 42 Cb 0.57 -0.86 -0.01 0.00 -0.91 0.00 0.00 33.84 32.63 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 3.64 0.17 -4.39 5.55 3.00 -0.42 -2.17 116.66 122.05 2djt n ARG 43 Ca 0.23 0.07 -0.29 0.00 -0.00 0.00 0.00 57.85 57.86 2djt n ARG 43 Cb 0.13 -0.78 -0.13 0.00 0.00 0.00 0.00 32.46 31.69 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 -3.65 1.62 -0.35 5.14 0.00 -1.26 -4.74 107.32 104.08 2djt s GLY 44 Ca -0.09 -1.49 -0.00 0.00 0.00 0.00 0.00 44.72 43.13 2djt s GLY 44 CO 0.14 -1.48 0.08 1.08 0.00 0.00 0.00 173.10 172.92 2djt s LEU 45 N -2.19 4.57 0.09 0.66 1.43 -1.26 -3.17 118.68 118.81 2djt s LEU 45 Ca 0.16 -1.77 -0.36 0.00 -1.03 0.00 0.00 54.13 51.13 2djt s LEU 45 Cb -0.10 -1.72 -0.17 0.00 0.03 0.00 0.00 46.19 44.23 2djt s LEU 45 CO 0.07 -0.39 1.24 -0.11 0.23 0.00 0.00 176.35 177.39 2djt n LEU 46 N 4.51 1.25 -4.76 1.79 7.94 -0.14 -4.90 117.00 122.69 2djt n LEU 46 Ca -0.05 1.13 -0.35 0.00 -1.11 0.00 0.00 56.01 55.63 2djt n LEU 46 Cb 0.42 -1.14 0.03 0.00 0.53 0.00 0.00 43.42 43.27 2djt n LEU 46 CO 0.27 -1.30 0.79 -0.75 -1.11 0.00 0.00 177.39 175.30 2djt s LYS 47 N 0.19 2.94 -1.44 1.96 2.47 -1.26 -3.04 119.74 121.55 2djt s LYS 47 Ca 0.83 1.64 -0.16 0.00 -1.56 0.00 0.00 55.97 56.72 2djt s LYS 47 Cb -0.99 -1.95 0.15 0.00 -1.46 0.00 0.00 37.83 33.58 2djt s LYS 47 CO 0.50 -1.19 0.54 -0.40 0.16 0.00 0.00 175.35 174.97 2djt n ASP 48 N -1.86 -2.52 -4.83 1.43 5.75 -1.26 -4.91 116.55 108.34 2djt n ASP 48 Ca 0.12 -0.75 -0.22 0.00 -0.01 0.00 0.00 54.79 53.93 2djt n ASP 48 Cb 0.51 -2.14 -0.04 0.00 -1.03 0.00 0.00 41.12 38.42 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2djt s GLY 49 N -2.96 2.04 0.31 6.12 0.00 -1.17 -4.97 107.32 106.69 2djt s GLY 49 Ca 0.60 -1.84 0.10 0.00 0.00 0.00 0.00 44.72 43.58 2djt s GLY 49 CO 0.74 -1.70 1.71 -0.56 0.00 0.00 0.00 173.10 173.28 2djt h PRO 50 N 1.22 0.07 0.01 2.90 0.13 -1.88 0.15 132.00 134.60 2djt h PRO 50 Ca -0.43 -0.04 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 2djt h PRO 50 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 2djt h PRO 50 CO 0.60 0.54 -0.97 0.00 -0.23 0.00 0.00 178.00 177.94 2djt h ALA 51 N 1.46 0.10 0.03 -0.56 0.00 -1.89 -2.69 119.26 115.70 2djt h ALA 51 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.12 2djt h ALA 51 Cb 0.87 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2djt h ALA 51 CO 0.07 0.61 -0.45 0.37 0.00 0.00 0.00 179.25 179.84 2djt h GLN 52 N 0.27 0.25 -0.83 0.00 5.75 -1.75 -3.28 115.11 115.51 2djt h GLN 52 Ca -0.13 -0.31 0.06 0.00 -0.15 0.00 0.00 58.65 58.12 2djt h GLN 52 Cb 1.64 0.10 -0.06 0.00 1.07 0.00 0.00 27.48 30.23 2djt h GLN 52 CO 0.19 1.06 0.51 0.00 -2.65 0.00 0.00 178.83 177.94 2djt h ARG 53 N -0.41 0.90 -0.80 1.69 3.08 -0.82 -1.22 114.38 116.80 2djt h ARG 53 Ca -0.07 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.06 2djt h ARG 53 Cb 1.24 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 2djt h ARG 53 CO 0.09 0.60 0.52 0.00 -1.07 0.00 0.00 179.97 180.11 2djt n GLY 55 N -1.47 -0.29 0.15 0.00 0.00 -0.46 -4.93 105.19 98.17 2djt n GLY 55 Ca 0.15 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.08 0.38 -4.78 1.61 1.74 -1.26 -5.01 116.66 105.27 2djt n ARG 56 Ca -0.09 0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 2djt n ARG 56 Cb 0.59 -1.27 -0.12 0.00 -1.02 0.00 0.00 32.46 30.63 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 -6.09 2.84 0.04 0.55 1.43 -1.26 -5.13 118.68 111.05 2djt s LEU 57 Ca -0.21 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2djt s LEU 57 Cb 0.06 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2djt s LEU 57 CO 0.35 0.33 -0.12 -1.61 0.23 0.00 0.00 176.35 175.54 2djt s GLU 58 N -0.88 0.76 -0.28 1.70 2.02 -1.26 -4.91 118.70 115.85 2djt s GLU 58 Ca 0.12 -0.72 -0.44 0.00 0.02 0.00 0.00 54.97 53.96 2djt s GLU 58 Cb -0.11 -0.71 -0.20 0.00 0.10 0.00 0.00 34.13 33.21 2djt s GLU 58 CO 0.02 0.17 1.37 0.28 0.02 0.00 0.00 175.26 177.11 2djt n VAL 59 N 1.83 0.00 0.00 2.63 0.31 -1.26 -1.79 118.33 120.05 2djt n VAL 59 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2djt n VAL 59 Cb 0.55 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 2.90 2.00 3.75 2.92 0.00 -0.92 -4.99 105.19 110.84 2djt n GLY 60 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 3.72 -4.76 1.61 8.00 -0.74 -4.79 116.55 119.59 2djt n ASP 61 Ca 0.00 1.17 -0.38 0.00 0.71 0.00 0.00 54.79 56.30 2djt n ASP 61 Cb 0.00 -1.59 -0.06 0.00 -0.02 0.00 0.00 41.12 39.45 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 -0.95 4.35 -0.25 0.64 1.43 -1.22 -2.23 118.68 120.45 2djt s LEU 62 Ca 0.60 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 54.43 2djt s LEU 62 Cb -0.50 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 2djt s LEU 62 CO 0.54 0.13 0.16 -0.69 0.23 0.00 0.00 176.35 176.73 2djt s VAL 63 N -0.03 5.30 -0.23 -1.59 1.01 -0.40 -0.28 120.40 124.18 2djt s VAL 63 Ca 0.24 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2djt s VAL 63 Cb -0.15 -3.49 -0.19 0.00 0.00 0.00 0.00 36.38 32.55 2djt s VAL 63 CO 0.11 0.32 -0.11 0.18 0.00 0.00 0.00 175.10 175.60 2djt n LEU 64 N 4.51 2.85 -4.06 3.92 4.77 -0.55 -4.69 117.00 123.75 2djt n LEU 64 Ca -0.15 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 2djt n LEU 64 Cb 0.52 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2djt n LEU 64 CO 0.34 0.90 0.09 -1.00 -1.33 0.00 0.00 177.39 176.39 2djt s HIS 65 N -2.53 0.66 -0.11 -1.77 3.76 -1.20 -4.21 115.29 109.89 2djt s HIS 65 Ca -0.33 -0.97 -0.07 0.00 -0.15 0.00 0.00 55.06 53.54 2djt s HIS 65 Cb 0.09 -0.01 0.04 0.00 1.11 0.00 0.00 32.58 33.81 2djt s HIS 65 CO 0.63 -0.96 0.28 0.42 -0.85 0.00 0.00 174.74 174.26 2djt s ILE 66 N -3.84 -0.03 -1.45 0.60 1.01 -0.78 -0.48 121.20 116.24 2djt s ILE 66 Ca 0.27 0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.97 2djt s ILE 66 Cb 0.01 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 42.10 2djt s ILE 66 CO 0.12 0.04 0.65 0.59 0.00 0.00 0.00 174.94 176.34 2djt n ASN 67 N 3.86 -1.78 -1.65 3.58 3.02 0.39 0.15 115.26 122.83 2djt n ASN 67 Ca -0.21 -0.92 -0.18 0.00 -0.03 0.00 0.00 54.58 53.24 2djt n ASN 67 Cb 0.55 -3.42 -0.06 0.00 -0.61 0.00 0.00 39.78 36.23 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 -1.74 1.33 3.52 7.41 0.00 -1.26 -4.95 105.19 109.50 2djt n GLY 68 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2djt n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2djt s GLU 69 N -3.73 1.88 -0.03 1.61 2.56 0.12 -5.11 118.70 115.99 2djt s GLU 69 Ca 0.00 -1.26 -0.24 0.00 0.00 0.00 0.00 54.97 53.47 2djt s GLU 69 Cb 0.00 -2.10 -0.04 0.00 2.00 0.00 0.00 34.13 33.98 2djt s GLU 69 CO 0.00 0.45 0.72 -1.54 -0.56 0.00 0.00 175.26 174.33 2djt s SER 70 N -2.51 7.06 0.00 -1.70 1.04 -1.26 -1.86 113.70 114.47 2djt s SER 70 Ca 0.21 1.27 0.28 0.00 0.48 0.00 0.00 55.95 58.20 2djt s SER 70 Cb -0.09 -2.43 1.06 0.00 0.10 0.00 0.00 66.02 64.66 2djt s SER 70 CO 0.12 -0.07 1.76 0.35 0.98 0.00 0.00 173.24 176.39 2djt n THR 71 N 3.42 0.00 0.11 2.02 -2.24 -1.26 -3.93 114.28 112.40 2djt n THR 71 Ca -0.02 -0.09 0.19 0.00 -2.27 0.00 0.00 64.05 61.87 2djt n THR 71 Cb 0.51 0.08 0.76 0.00 -2.10 0.00 0.00 70.33 69.59 2djt n THR 71 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 2djt h GLN 72 N 0.82 0.00 0.00 -0.78 3.07 -1.92 0.05 115.11 116.35 2djt h GLN 72 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2djt h GLN 72 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.97 2djt h GLN 72 CO 0.00 0.00 -0.11 0.41 0.09 0.00 0.00 178.83 179.22 2djt n GLY 73 N -1.48 4.94 3.25 0.06 0.00 -1.25 -5.01 105.19 105.69 2djt n GLY 73 Ca 0.06 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.96 2.04 0.41 0.99 1.43 0.00 -5.07 118.68 115.51 2djt s LEU 74 Ca 0.33 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 2djt s LEU 74 Cb 0.30 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 45.33 2djt s LEU 74 CO 0.01 0.26 0.52 0.42 0.23 0.00 0.00 176.35 177.79 2djt s THR 75 N -0.43 3.11 0.50 5.49 -4.23 -1.26 -4.76 115.64 114.06 2djt s THR 75 Ca 0.06 -1.06 0.37 0.00 -1.18 0.00 0.00 61.69 59.89 2djt s THR 75 Cb -0.10 -3.06 0.58 0.00 1.34 0.00 0.00 72.50 71.26 2djt s THR 75 CO 0.00 -0.03 1.68 -0.74 -0.54 0.00 0.00 174.62 174.99 2djt h HIS 76 N 0.74 0.21 0.02 3.99 2.76 -1.86 0.38 115.15 121.39 2djt h HIS 76 Ca -0.41 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 57.71 2djt h HIS 76 Cb 1.27 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 30.19 2djt h HIS 76 CO 0.42 -0.05 -0.25 0.00 -1.30 0.00 0.00 177.93 176.76 2djt h ALA 77 N 1.36 0.00 0.67 5.26 0.00 -1.93 -3.26 119.26 121.36 2djt h ALA 77 Ca 0.76 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2djt h ALA 77 Cb 2.75 0.02 0.01 0.00 0.00 0.00 0.00 17.79 20.57 2djt h ALA 77 CO -0.15 0.09 -0.32 1.96 0.00 0.00 0.00 179.25 180.83 2djt h GLN 78 N -0.63 -0.86 -0.98 0.00 1.08 -0.73 -1.91 115.11 111.07 2djt h GLN 78 Ca -0.04 0.06 0.34 0.00 -1.45 0.00 0.00 58.65 57.56 2djt h GLN 78 Cb 1.08 0.20 -0.17 0.00 -0.05 0.00 0.00 27.48 28.54 2djt h GLN 78 CO 0.05 -0.58 0.40 0.00 -0.95 0.00 0.00 178.83 177.75 2djt h ALA 79 N -0.55 1.78 -0.20 3.87 0.00 -1.01 1.09 119.26 124.24 2djt h ALA 79 Ca -0.09 0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2djt h ALA 79 Cb 0.69 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2djt h ALA 79 CO 0.15 -0.71 -0.52 0.28 0.00 0.00 0.00 179.25 178.45 2djt h VAL 80 N 0.11 1.32 -0.02 0.00 2.07 -1.52 -3.08 116.25 115.12 2djt h VAL 80 Ca 0.73 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 2djt h VAL 80 Cb 1.73 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2djt h VAL 80 CO -0.74 0.55 0.00 -0.08 0.02 0.00 0.00 177.57 177.31 2djt h GLU 81 N 0.43 0.04 -0.27 1.57 4.22 0.19 -2.58 114.58 118.18 2djt h GLU 81 Ca 0.02 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.51 2djt h GLU 81 Cb 1.05 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 2djt h GLU 81 CO 0.10 0.33 -0.33 0.00 -2.18 0.00 0.00 179.01 176.93 2djt h ARG 82 N -0.26 -0.31 0.20 1.92 2.47 -0.93 0.14 114.38 117.60 2djt h ARG 82 Ca 0.01 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2djt h ARG 82 Cb 0.31 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 2djt h ARG 82 CO 0.00 -0.21 -0.43 0.82 0.56 0.00 0.00 179.97 180.71 2djt h ILE 83 N -0.32 0.14 -0.25 2.04 2.04 -1.55 0.39 117.51 120.00 2djt h ILE 83 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 2djt h ILE 83 Cb 0.54 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 2djt h ILE 83 CO -0.45 0.00 -0.27 0.03 0.00 0.00 0.00 178.15 177.46 2djt h ARG 84 N -0.72 -0.27 0.00 2.37 3.08 -1.03 0.36 114.38 118.18 2djt h ARG 84 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2djt h ARG 84 Cb 0.71 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2djt h ARG 84 CO -0.20 -0.18 0.00 0.00 -1.07 0.00 0.00 179.97 178.52 2djt n ALA 85 N -2.85 1.47 0.18 0.04 0.00 0.45 -2.85 120.51 116.95 2djt n ALA 85 Ca -0.01 0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.67 2djt n ALA 85 Cb 0.31 -1.28 0.77 0.00 0.00 0.00 0.00 19.45 19.25 2djt n ALA 85 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2djt h GLY 86 N 1.66 0.00 0.00 0.00 0.00 0.41 -3.48 103.07 101.66 2djt h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2djt h GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2djt n GLY 87 N -1.40 -0.64 0.17 4.60 0.00 -1.13 -4.51 105.19 102.29 2djt n GLY 87 Ca 0.04 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 -5.92 1.61 0.13 -1.92 -3.43 132.00 122.48 2djt h PRO 88 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 2djt h PRO 88 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 2djt h PRO 88 CO 0.00 0.00 -0.81 -0.65 -0.23 0.00 0.00 178.00 176.31 2djt s GLN 89 N -3.41 2.78 0.14 0.86 -1.52 -1.26 -3.46 119.66 113.79 2djt s GLN 89 Ca 0.03 -0.76 0.03 0.00 -1.95 0.00 0.00 55.36 52.71 2djt s GLN 89 Cb 0.09 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.46 2djt s GLN 89 CO 0.43 0.42 0.24 -1.17 -0.25 0.00 0.00 175.29 174.95 2djt s LEU 90 N -0.22 4.19 -0.21 2.90 0.20 -1.19 -4.78 118.68 119.58 2djt s LEU 90 Ca -0.00 0.10 -0.08 0.00 0.69 0.00 0.00 54.13 54.83 2djt s LEU 90 Cb -0.13 -2.78 0.09 0.00 -0.43 0.00 0.00 46.19 42.94 2djt s LEU 90 CO 0.03 0.07 0.45 -2.28 -0.29 0.00 0.00 176.35 174.33 2djt s HIS 91 N -1.72 -0.82 -0.03 5.38 5.65 -1.22 -3.61 115.29 118.92 2djt s HIS 91 Ca 0.33 1.58 -0.02 0.00 0.25 0.00 0.00 55.06 57.20 2djt s HIS 91 Cb -0.11 0.36 0.01 0.00 -1.18 0.00 0.00 32.58 31.66 2djt s HIS 91 CO 0.27 -0.47 0.08 -0.51 -0.65 0.00 0.00 174.74 173.46 2djt s LEU 92 N 2.30 1.56 -0.43 8.88 1.43 -0.71 -0.46 118.68 131.23 2djt s LEU 92 Ca -0.04 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 2djt s LEU 92 Cb -0.11 0.23 0.03 0.00 0.03 0.00 0.00 46.19 46.37 2djt s LEU 92 CO -0.14 -0.05 0.43 -0.69 0.23 0.00 0.00 176.35 176.14 2djt s VAL 93 N 0.26 5.10 -0.03 -1.59 1.01 0.37 0.54 120.40 126.06 2djt s VAL 93 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2djt s VAL 93 Cb -0.03 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2djt s VAL 93 CO -0.01 -0.45 0.00 -0.63 0.00 0.00 0.00 175.10 174.01 2djt s ILE 94 N 2.09 4.21 -0.03 2.22 -1.09 -0.54 -1.48 121.20 126.58 2djt s ILE 94 Ca 0.11 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.10 2djt s ILE 94 Cb -0.18 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 2djt s ILE 94 CO 0.13 0.45 -0.18 -0.60 -1.23 0.00 0.00 174.94 173.51 2djt s ARG 95 N -1.35 2.34 -0.41 2.79 6.06 0.62 -2.45 118.95 126.56 2djt s ARG 95 Ca 0.18 -0.79 -0.16 0.00 -2.50 0.00 0.00 55.73 52.45 2djt s ARG 95 Cb -0.11 -2.26 0.02 0.00 0.06 0.00 0.00 34.95 32.65 2djt s ARG 95 CO 0.08 0.60 0.36 0.50 -2.50 0.00 0.00 175.30 174.34 2djt s ARG 96 N -0.79 3.07 0.77 5.12 6.06 -1.26 -3.40 118.95 128.52 2djt s ARG 96 Ca 0.11 -0.86 -0.13 0.00 -2.50 0.00 0.00 55.73 52.36 2djt s ARG 96 Cb -0.10 -3.96 0.19 0.00 0.06 0.00 0.00 34.95 31.14 2djt s ARG 96 CO 0.01 -0.78 0.68 -0.35 -2.50 0.00 0.00 175.30 172.36 2djt n PRO 97 N 5.37 -2.36 -2.04 5.12 -0.04 -1.26 -4.91 135.00 134.87 2djt n PRO 97 Ca -0.09 -1.09 -0.43 0.00 -0.04 0.00 0.00 63.50 61.85 2djt n PRO 97 Cb 0.47 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.88 2djt n PRO 97 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2djt s LEU 98 N 0.00 3.92 -1.01 1.53 1.98 -1.26 -4.94 118.68 118.91 2djt s LEU 98 Ca 0.44 1.75 -0.15 0.00 -2.89 0.00 0.00 54.13 53.28 2djt s LEU 98 Cb -0.04 -3.53 0.18 0.00 0.66 0.00 0.00 46.19 43.45 2djt s LEU 98 CO 0.34 -1.27 1.14 -0.44 -1.89 0.00 0.00 176.35 174.23 2djt s SER 99 N 4.48 6.86 0.32 3.68 0.01 -1.26 -4.99 113.70 122.80 2djt s SER 99 Ca 0.75 -2.61 0.03 0.00 1.31 0.00 0.00 55.95 55.43 2djt s SER 99 Cb -0.27 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2djt s SER 99 CO 0.30 -0.79 0.08 -0.83 0.41 0.00 0.00 173.24 172.41 2djt s GLY 100 N 2.86 2.08 -0.09 3.44 0.00 -1.26 -5.11 107.32 109.25 2djt s GLY 100 Ca 0.32 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.87 2djt s GLY 100 CO -0.07 -1.76 1.51 2.56 0.00 0.00 0.00 173.10 175.34 2djt s PRO 101 N -3.90 4.20 -0.20 2.90 0.04 -1.26 -4.99 135.00 131.79 2djt s PRO 101 Ca 0.35 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.35 2djt s PRO 101 Cb 0.08 -3.89 0.07 0.00 0.04 0.00 0.00 34.50 30.79 2djt s PRO 101 CO 0.15 -0.79 0.10 -1.12 0.04 0.00 0.00 177.00 175.38 2djt s SER 102 N 2.82 2.69 1.08 6.66 0.01 -1.26 -5.15 113.70 120.55 2djt s SER 102 Ca 0.67 -0.80 -0.16 0.00 1.31 0.00 0.00 55.95 56.96 2djt s SER 102 Cb -0.29 -0.29 0.23 0.00 0.21 0.00 0.00 66.02 65.88 2djt s SER 102 CO 0.25 -0.37 1.15 -0.94 0.41 0.00 0.00 173.24 173.73 2djt s SER 103 N 2.12 2.00 0.00 2.44 1.04 -1.26 -5.31 113.70 114.72 2djt s SER 103 Ca 0.04 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2djt s SER 103 Cb -0.16 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2djt s SER 103 CO -0.16 -3.47 0.00 0.61 0.98 0.00 0.00 173.24 171.20