#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 1.41 -0.08 1.61 2.88 -1.26 -4.80 113.62 113.38 2djt n SER 2 Ca 0.00 0.13 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2djt n SER 2 Cb 0.00 -1.19 -0.09 0.00 -0.75 0.00 0.00 64.21 62.18 2djt n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2djt h SER 3 N 13.75 0.00 0.00 -3.46 0.87 -2.06 -3.48 113.55 119.17 2djt h SER 3 Ca -0.17 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 2djt h SER 3 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2djt h SER 3 CO 1.19 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 179.15 2djt n GLY 4 N 1.58 -1.54 3.23 5.77 0.00 -1.26 -5.09 105.19 107.89 2djt n GLY 4 Ca -0.15 0.96 -0.41 0.00 0.00 0.00 0.00 46.02 46.42 2djt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2djt n SER 5 N 0.00 0.34 -4.58 1.61 2.88 -1.26 -4.74 113.62 107.87 2djt n SER 5 Ca 0.00 0.24 -0.35 0.00 -1.33 0.00 0.00 58.87 57.43 2djt n SER 5 Cb 0.00 -0.86 -0.03 0.00 -0.75 0.00 0.00 64.21 62.57 2djt n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2djt s SER 6 N 7.97 5.88 0.00 -3.46 1.04 -1.26 -3.73 113.70 120.14 2djt s SER 6 Ca 1.25 -1.87 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2djt s SER 6 Cb -1.21 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.33 2djt s SER 6 CO 0.48 -2.16 0.00 0.61 0.98 0.00 0.00 173.24 173.15 2djt n GLY 7 N 5.84 0.00 3.56 7.32 0.00 -1.26 -5.09 105.19 115.56 2djt n GLY 7 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 2.57 0.34 1.61 -1.52 -1.24 -4.93 119.66 116.49 2djt s GLN 8 Ca 0.00 0.04 -0.24 0.00 -1.95 0.00 0.00 55.36 53.21 2djt s GLN 8 Cb 0.00 -4.82 -0.15 0.00 -0.22 0.00 0.00 33.01 27.81 2djt s GLN 8 CO 0.00 -3.15 0.32 0.00 -0.25 0.00 0.00 175.29 172.20 2djt n ALA 9 N 13.57 -2.63 -1.76 6.09 0.00 -1.26 -4.87 120.51 129.65 2djt n ALA 9 Ca 0.33 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.60 2djt n ALA 9 Cb 0.49 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 2djt n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2djt s SER 10 N -0.98 7.38 0.82 0.00 0.15 -1.26 -4.74 113.70 115.07 2djt s SER 10 Ca 0.61 2.16 0.00 0.00 0.70 0.00 0.00 55.95 59.43 2djt s SER 10 Cb -0.72 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 60.97 2djt s SER 10 CO 0.60 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.60 2djt n GLY 11 N 1.26 0.66 3.68 9.45 0.00 -1.26 -4.87 105.19 114.12 2djt n GLY 11 Ca -0.01 -0.79 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 2djt n GLY 11 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2djt n HIS 12 N 9.82 2.47 -4.40 1.61 8.25 -1.26 -4.74 115.22 126.97 2djt n HIS 12 Ca 0.00 0.04 -0.20 0.00 -0.26 0.00 0.00 57.72 57.29 2djt n HIS 12 Cb 0.00 -2.65 -0.10 0.00 1.12 0.00 0.00 29.99 28.36 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 2.18 1.90 0.16 4.41 -0.12 -0.57 -4.86 117.98 121.08 2djt s PHE 13 Ca 0.82 -0.59 0.09 0.00 -0.05 0.00 0.00 56.93 57.20 2djt s PHE 13 Cb -0.59 -0.96 -0.04 0.00 -0.63 0.00 0.00 43.02 40.80 2djt s PHE 13 CO 0.39 0.38 -0.12 -1.12 -0.05 0.00 0.00 175.22 174.71 2djt s SER 14 N -3.40 4.17 -0.07 1.98 0.01 -1.26 -1.16 113.70 113.97 2djt s SER 14 Ca 0.26 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 57.00 2djt s SER 14 Cb 0.01 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.53 2djt s SER 14 CO 0.10 0.13 -0.17 -0.69 0.41 0.00 0.00 173.24 173.02 2djt s VAL 15 N -1.51 2.76 -0.13 3.43 1.01 -0.21 -4.94 120.40 120.81 2djt s VAL 15 Ca 0.23 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2djt s VAL 15 Cb -0.09 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2djt s VAL 15 CO 0.14 0.57 -0.11 -1.61 0.00 0.00 0.00 175.10 174.08 2djt s GLU 16 N -0.30 1.96 0.18 2.72 8.01 -1.25 -2.93 118.70 127.09 2djt s GLU 16 Ca 0.02 -0.43 0.05 0.00 0.01 0.00 0.00 54.97 54.62 2djt s GLU 16 Cb -0.13 -1.88 -0.05 0.00 -4.31 0.00 0.00 34.13 27.76 2djt s GLU 16 CO 0.03 -0.25 -0.09 -0.51 0.01 0.00 0.00 175.26 174.45 2djt s LEU 17 N 1.58 2.46 -0.23 1.80 1.43 -1.20 -4.97 118.68 119.56 2djt s LEU 17 Ca 0.05 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.05 2djt s LEU 17 Cb -0.13 -0.40 -0.00 0.00 0.03 0.00 0.00 46.19 45.69 2djt s LEU 17 CO -0.10 -0.34 -0.03 -0.69 0.23 0.00 0.00 176.35 175.42 2djt s VAL 18 N -3.27 3.38 -0.84 -1.59 1.01 -1.26 -2.69 120.40 115.15 2djt s VAL 18 Ca 0.21 -0.58 -0.33 0.00 0.00 0.00 0.00 61.98 61.27 2djt s VAL 18 Cb 0.03 -2.59 -0.20 0.00 0.00 0.00 0.00 36.38 33.62 2djt s VAL 18 CO 0.04 0.35 2.45 -1.14 0.00 0.00 0.00 175.10 176.80 2djt n ARG 19 N 4.79 0.00 0.00 2.72 0.63 -1.24 -4.86 116.66 118.70 2djt n ARG 19 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 2djt n ARG 19 Cb 0.50 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.98 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 6.45 -1.11 2.97 5.14 0.00 -1.17 -4.66 105.19 112.81 2djt n GLY 20 Ca 0.60 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.26 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 3.73 -3.43 1.61 9.36 -1.26 -4.74 117.16 122.43 2djt n TYR 21 Ca 0.00 -3.75 -0.18 0.00 3.32 0.00 0.00 57.90 57.29 2djt n TYR 21 Cb 0.00 -1.10 0.08 0.00 -0.63 0.00 0.00 39.34 37.69 2djt n TYR 21 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2djt n ALA 22 N 1.80 -1.78 0.00 2.98 0.00 -1.26 -4.93 120.51 117.32 2djt n ALA 22 Ca 0.25 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2djt n ALA 22 Cb 0.37 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.70 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 -1.34 3.72 0.02 0.00 0.00 -1.26 -4.99 105.19 101.34 2djt n GLY 23 Ca -0.21 -1.12 0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.42 0.13 -1.79 1.61 3.72 -1.26 -3.04 117.46 115.41 2djt n PHE 24 Ca 0.00 0.04 -0.03 0.00 -0.05 0.00 0.00 57.45 57.41 2djt n PHE 24 Cb 0.00 -0.50 -0.00 0.00 -0.94 0.00 0.00 39.48 38.03 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 1.28 0.35 3.58 1.37 0.00 -1.26 -4.14 105.19 106.36 2djt n GLY 25 Ca -0.02 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.84 3.71 -0.16 0.99 2.96 -1.26 -1.21 118.68 122.87 2djt s LEU 26 Ca 0.00 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2djt s LEU 26 Cb 0.00 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.75 2djt s LEU 26 CO 0.00 0.10 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.03 2djt s THR 27 N 0.82 2.05 0.09 3.68 2.01 -1.08 -5.03 115.64 118.18 2djt s THR 27 Ca 0.04 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 2djt s THR 27 Cb -0.14 -1.83 -0.06 0.00 0.01 0.00 0.00 72.50 70.49 2djt s THR 27 CO 0.02 0.54 0.40 -0.76 -0.69 0.00 0.00 174.62 174.14 2djt s LEU 28 N 1.06 4.33 -0.20 4.42 1.43 -1.26 -0.02 118.68 128.43 2djt s LEU 28 Ca -0.01 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 2djt s LEU 28 Cb -0.14 -3.04 0.06 0.00 0.03 0.00 0.00 46.19 43.09 2djt s LEU 28 CO -0.08 0.15 0.01 -0.83 0.23 0.00 0.00 176.35 175.84 2djt s GLY 29 N -1.86 0.86 0.00 -3.19 0.00 -1.06 -4.74 107.32 97.33 2djt s GLY 29 Ca 0.34 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2djt s GLY 29 CO 0.19 1.29 0.00 0.61 0.00 0.00 0.00 173.10 175.19 2djt n GLY 30 N 4.95 0.29 6.84 0.20 0.00 -1.26 -4.01 105.19 112.20 2djt n GLY 30 Ca -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.36 3.61 -0.02 0.00 -0.48 -4.75 105.19 102.20 2djt n GLY 31 Ca 0.00 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 3.50 0.07 1.61 6.06 -1.26 -0.78 118.95 128.16 2djt s ARG 32 Ca 0.00 1.76 0.08 0.00 -2.50 0.00 0.00 55.73 55.08 2djt s ARG 32 Cb 0.00 -4.19 -0.03 0.00 0.06 0.00 0.00 34.95 30.79 2djt s ARG 32 CO 0.00 -1.66 -0.22 -0.51 -2.50 0.00 0.00 175.30 170.41 2djt s ASP 33 N 5.92 2.67 0.60 -2.12 1.11 0.30 -4.62 116.67 120.54 2djt s ASP 33 Ca 0.83 -0.61 0.29 0.00 0.18 0.00 0.00 52.55 53.25 2djt s ASP 33 Cb -0.28 -0.20 1.61 0.00 1.07 0.00 0.00 42.92 45.13 2djt s ASP 33 CO 0.34 0.14 2.02 0.58 1.18 0.00 0.00 175.17 179.42 2djt h VAL 34 N 4.20 0.37 -0.51 -1.27 2.07 -2.01 0.41 116.25 119.51 2djt h VAL 34 Ca -0.45 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 2djt h VAL 34 Cb 1.17 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2djt h VAL 34 CO 0.42 0.00 0.09 0.00 0.02 0.00 0.00 177.57 178.10 2djt n ALA 35 N -2.28 3.83 0.00 1.67 0.00 -1.26 -5.00 120.51 117.47 2djt n ALA 35 Ca 0.03 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.83 2djt n ALA 35 Cb 0.44 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.27 3.31 3.38 0.00 0.00 0.14 -5.02 105.19 107.27 2djt n GLY 36 Ca 0.26 -1.89 -0.45 0.00 0.00 0.00 0.00 46.02 43.95 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 6.18 0.08 1.61 1.47 -1.26 -0.54 116.67 124.22 2djt s ASP 37 Ca 0.00 -1.36 -0.06 0.00 1.18 0.00 0.00 52.55 52.32 2djt s ASP 37 Cb 0.00 -2.23 -0.05 0.00 -0.34 0.00 0.00 42.92 40.30 2djt s ASP 37 CO 0.00 -0.80 0.33 0.42 0.68 0.00 0.00 175.17 175.80 2djt s THR 38 N 1.97 5.22 -0.20 2.11 -4.23 0.04 -4.93 115.64 115.61 2djt s THR 38 Ca 0.07 0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.40 2djt s THR 38 Cb -0.24 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 2djt s THR 38 CO 0.07 0.19 1.60 -2.16 -0.54 0.00 0.00 174.62 173.78 2djt s PRO 39 N -2.23 3.85 0.21 3.99 0.04 -1.26 -1.38 135.00 138.22 2djt s PRO 39 Ca 0.35 1.70 -0.32 0.00 0.04 0.00 0.00 61.00 62.77 2djt s PRO 39 Cb -0.13 -4.02 -0.14 0.00 0.04 0.00 0.00 34.50 30.25 2djt s PRO 39 CO 0.21 -1.23 1.35 1.28 0.04 0.00 0.00 177.00 178.65 2djt n LEU 40 N 8.24 2.59 -3.67 -3.56 4.77 -1.26 -4.38 117.00 119.73 2djt n LEU 40 Ca 0.18 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 57.17 2djt n LEU 40 Cb 0.45 -1.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.10 2djt n LEU 40 CO 0.64 -0.73 0.28 0.00 -1.33 0.00 0.00 177.39 176.25 2djt s ALA 41 N -0.00 -1.50 0.03 -1.18 0.00 -1.26 -2.00 121.76 115.86 2djt s ALA 41 Ca 0.71 1.76 -0.38 0.00 0.00 0.00 0.00 51.96 54.04 2djt s ALA 41 Cb -0.72 -1.02 -0.19 0.00 0.00 0.00 0.00 23.12 21.18 2djt s ALA 41 CO 0.49 -0.29 1.08 0.28 0.00 0.00 0.00 175.76 177.32 2djt n VAL 42 N 3.00 0.18 0.00 0.00 0.31 -1.06 -2.57 118.33 118.20 2djt n VAL 42 Ca -0.15 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2djt n VAL 42 Cb 0.56 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 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 1.63 0.00 -4.38 5.55 0.00 0.97 -2.37 116.66 118.06 2djt n ARG 43 Ca 0.19 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.77 2djt n ARG 43 Cb 0.12 -0.44 -0.12 0.00 0.00 0.00 0.00 32.46 32.02 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 -2.88 1.67 -0.28 5.14 0.00 -0.86 -4.77 107.32 105.34 2djt s GLY 44 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.23 2djt s GLY 44 CO 0.00 -1.53 -0.07 1.08 0.00 0.00 0.00 173.10 172.59 2djt s LEU 45 N -2.43 3.76 0.22 0.66 1.43 -1.26 -2.64 118.68 118.42 2djt s LEU 45 Ca 0.19 -1.59 -0.31 0.00 -1.03 0.00 0.00 54.13 51.39 2djt s LEU 45 Cb -0.09 -1.56 -0.15 0.00 0.03 0.00 0.00 46.19 44.42 2djt s LEU 45 CO 0.09 -0.24 1.05 -0.11 0.23 0.00 0.00 176.35 177.37 2djt n LEU 46 N 4.39 1.41 -4.72 1.79 7.94 -0.35 -4.89 117.00 122.57 2djt n LEU 46 Ca -0.09 1.16 -0.42 0.00 -1.11 0.00 0.00 56.01 55.55 2djt n LEU 46 Cb 0.42 -1.22 -0.03 0.00 0.53 0.00 0.00 43.42 43.12 2djt n LEU 46 CO 0.21 -1.48 0.83 -0.75 -1.11 0.00 0.00 177.39 175.10 2djt s LYS 47 N -0.89 4.50 -0.82 1.96 2.47 -1.26 -3.37 119.74 122.32 2djt s LYS 47 Ca 0.67 1.72 -0.05 0.00 -1.56 0.00 0.00 55.97 56.74 2djt s LYS 47 Cb -0.80 -3.33 0.01 0.00 -1.46 0.00 0.00 37.83 32.24 2djt s LYS 47 CO 0.56 -0.13 0.72 -3.47 0.16 0.00 0.00 175.35 173.19 2djt n ASP 48 N 3.39 -4.44 -4.81 1.43 -0.08 -1.26 -5.03 116.55 105.75 2djt n ASP 48 Ca 0.06 -0.33 -0.24 0.00 -1.51 0.00 0.00 54.79 52.77 2djt n ASP 48 Cb 0.47 -3.28 -0.05 0.00 2.34 0.00 0.00 41.12 40.60 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 -3.26 2.32 0.26 0.27 0.00 -1.22 -5.03 107.32 100.67 2djt s GLY 49 Ca 0.33 -1.81 0.04 0.00 0.00 0.00 0.00 44.72 43.27 2djt s GLY 49 CO 0.45 -1.87 1.64 -0.56 0.00 0.00 0.00 173.10 172.75 2djt h PRO 50 N 1.18 0.33 0.14 2.90 0.13 -1.90 -2.60 132.00 132.18 2djt h PRO 50 Ca -0.41 -0.18 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 2djt h PRO 50 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2djt h PRO 50 CO 0.64 0.72 -0.07 0.00 -0.23 0.00 0.00 178.00 179.07 2djt h ALA 51 N 1.25 -0.18 -1.03 -0.56 0.00 -1.93 -2.33 119.26 114.48 2djt h ALA 51 Ca 0.02 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.14 2djt h ALA 51 Cb 0.90 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 2djt h ALA 51 CO 0.07 -0.17 0.67 0.37 0.00 0.00 0.00 179.25 180.19 2djt h GLN 52 N -1.05 0.37 0.00 0.00 4.15 -1.80 0.51 115.11 117.29 2djt h GLN 52 Ca -0.02 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 2djt h GLN 52 Cb 0.17 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2djt h GLN 52 CO 0.03 0.24 -0.84 0.00 -1.93 0.00 0.00 178.83 176.33 2djt h ARG 53 N 0.38 0.05 -0.46 1.69 3.08 -1.56 -3.21 114.38 114.35 2djt h ARG 53 Ca 0.58 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.48 2djt h ARG 53 Cb 1.50 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 2djt h ARG 53 CO -0.27 0.86 -0.08 0.00 -1.07 0.00 0.00 179.97 179.41 2djt n GLY 55 N -0.48 1.97 0.24 0.00 0.00 -0.67 -4.79 105.19 101.46 2djt n GLY 55 Ca 0.02 -0.30 0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.05 -3.55 1.61 3.00 -1.26 -3.75 116.66 112.66 2djt n ARG 56 Ca 0.00 1.02 -0.38 0.00 -0.01 0.00 0.00 57.85 58.48 2djt n ARG 56 Cb 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 32.46 30.56 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 -9.39 4.06 0.08 0.55 1.43 -1.26 -5.06 118.68 109.09 2djt s LEU 57 Ca -0.07 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2djt s LEU 57 Cb 0.24 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2djt s LEU 57 CO 0.57 -0.05 -0.08 -1.61 0.23 0.00 0.00 176.35 175.41 2djt s GLU 58 N 1.59 0.73 -0.16 1.70 2.02 -1.25 -4.72 118.70 118.61 2djt s GLU 58 Ca 0.10 -1.08 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 2djt s GLU 58 Cb -0.15 -0.34 -0.07 0.00 0.10 0.00 0.00 34.13 33.67 2djt s GLU 58 CO 0.09 0.04 2.13 0.28 0.02 0.00 0.00 175.26 177.81 2djt n VAL 59 N 0.68 0.45 0.00 2.63 0.31 -1.26 -1.70 118.33 119.44 2djt n VAL 59 Ca -0.17 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2djt n VAL 59 Cb 0.58 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 5.43 1.33 3.36 2.92 0.00 -1.00 -5.00 105.19 112.23 2djt n GLY 60 Ca 0.28 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.29 -4.63 1.61 9.92 -0.69 -4.65 116.55 115.82 2djt n ASP 61 Ca 0.00 0.74 -0.35 0.00 -0.53 0.00 0.00 54.79 54.66 2djt n ASP 61 Cb 0.00 -1.00 -0.10 0.00 -0.64 0.00 0.00 41.12 39.38 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 3.07 3.59 -0.25 0.64 1.43 -1.26 -2.55 118.68 123.35 2djt s LEU 62 Ca 0.62 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 2djt s LEU 62 Cb -0.52 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2djt s LEU 62 CO 0.61 0.28 0.20 -0.69 0.23 0.00 0.00 176.35 176.98 2djt s VAL 63 N -0.30 5.32 -0.19 -1.59 1.01 -0.85 -2.71 120.40 121.10 2djt s VAL 63 Ca 0.07 0.25 0.15 0.00 0.00 0.00 0.00 61.98 62.44 2djt s VAL 63 Cb -0.12 -3.54 -0.22 0.00 0.00 0.00 0.00 36.38 32.50 2djt s VAL 63 CO 0.02 0.31 0.03 0.18 0.00 0.00 0.00 175.10 175.63 2djt n LEU 64 N 4.53 0.39 -3.84 3.92 4.77 -0.71 -4.70 117.00 121.36 2djt n LEU 64 Ca -0.14 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.73 2djt n LEU 64 Cb 0.52 0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 2djt n LEU 64 CO 0.35 0.52 0.24 -1.00 -1.33 0.00 0.00 177.39 176.16 2djt s HIS 65 N -2.45 0.05 -0.16 -1.77 3.76 -1.16 -4.12 115.29 109.44 2djt s HIS 65 Ca -0.12 -0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 54.30 2djt s HIS 65 Cb 0.06 0.32 0.06 0.00 1.11 0.00 0.00 32.58 34.13 2djt s HIS 65 CO 0.73 -0.95 0.36 0.42 -0.85 0.00 0.00 174.74 174.46 2djt s ILE 66 N -3.92 -0.16 -1.52 0.60 1.01 -1.17 -0.49 121.20 115.55 2djt s ILE 66 Ca 0.13 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 2djt s ILE 66 Cb -0.01 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.92 2djt s ILE 66 CO 0.01 0.05 0.62 0.59 0.00 0.00 0.00 174.94 176.21 2djt n ASN 67 N 4.53 -5.84 -0.58 3.58 5.03 0.43 -0.82 115.26 121.59 2djt n ASN 67 Ca -0.20 -0.31 -0.08 0.00 0.87 0.00 0.00 54.58 54.86 2djt n ASN 67 Cb 0.53 -4.72 -0.03 0.00 -1.02 0.00 0.00 39.78 34.54 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 -1.50 0.88 3.95 7.41 0.00 -1.26 -4.99 105.19 109.67 2djt n GLY 68 Ca -0.10 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.31 3.00 -0.41 1.61 0.41 -0.00 -5.09 118.70 115.91 2djt s GLU 69 Ca 0.00 -1.10 -0.14 0.00 -0.41 0.00 0.00 54.97 53.32 2djt s GLU 69 Cb 0.00 -2.72 0.03 0.00 -1.78 0.00 0.00 34.13 29.67 2djt s GLU 69 CO 0.00 0.08 0.30 -1.12 -0.49 0.00 0.00 175.26 174.03 2djt s SER 70 N -4.11 6.03 0.00 -0.19 0.01 -1.26 -3.07 113.70 111.11 2djt s SER 70 Ca 0.44 -1.01 0.17 0.00 1.31 0.00 0.00 55.95 56.85 2djt s SER 70 Cb -0.08 -2.13 1.00 0.00 0.21 0.00 0.00 66.02 65.01 2djt s SER 70 CO 0.30 -0.47 1.48 1.07 0.41 0.00 0.00 173.24 176.03 2djt n THR 71 N 5.13 0.00 0.05 1.44 5.66 -1.26 -3.58 114.28 121.72 2djt n THR 71 Ca -0.11 0.00 0.19 0.00 -3.05 0.00 0.00 64.05 61.07 2djt n THR 71 Cb 0.46 -0.47 0.70 0.00 -1.55 0.00 0.00 70.33 69.47 2djt n THR 71 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 2djt h GLN 72 N 0.00 0.00 0.00 1.09 3.07 -1.91 -2.30 115.11 115.05 2djt h GLN 72 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 2djt h GLN 72 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.48 2djt h GLN 72 CO 0.00 0.00 -0.47 0.41 0.09 0.00 0.00 178.83 178.86 2djt n GLY 73 N -1.60 2.97 3.14 0.06 0.00 -1.23 -5.01 105.19 103.51 2djt n GLY 73 Ca 0.08 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.60 2.86 0.00 0.99 1.43 -0.87 -5.07 118.68 116.43 2djt s LEU 74 Ca 0.25 -0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 2djt s LEU 74 Cb 0.25 -1.57 0.26 0.00 0.03 0.00 0.00 46.19 45.15 2djt s LEU 74 CO -0.04 -0.09 0.99 0.35 0.23 0.00 0.00 176.35 177.78 2djt n THR 75 N 4.60 0.00 -0.24 5.49 -2.24 -1.26 -4.45 114.28 116.18 2djt n THR 75 Ca -0.18 -0.48 0.04 0.00 -2.27 0.00 0.00 64.05 61.17 2djt n THR 75 Cb 0.47 -1.25 0.16 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.47 0.29 -0.22 4.78 2.76 -1.86 0.22 115.15 118.65 2djt h HIS 76 Ca -0.36 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.81 2djt h HIS 76 Cb 1.09 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 2djt h HIS 76 CO 0.00 -0.05 -0.02 0.00 -1.30 0.00 0.00 177.93 176.56 2djt h ALA 77 N 1.56 0.30 -0.74 5.26 0.00 -1.96 -1.92 119.26 121.77 2djt h ALA 77 Ca 0.39 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2djt h ALA 77 Cb 0.62 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2djt h ALA 77 CO -0.46 0.06 0.46 1.96 0.00 0.00 0.00 179.25 181.27 2djt h GLN 78 N 0.16 0.86 0.23 0.00 1.08 -1.57 0.17 115.11 116.04 2djt h GLN 78 Ca 0.06 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2djt h GLN 78 Cb 0.45 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2djt h GLN 78 CO 0.02 0.57 -0.11 0.00 -0.95 0.00 0.00 178.83 178.35 2djt h ALA 79 N 1.32 -0.31 -0.85 3.87 0.00 -0.55 -2.68 119.26 120.06 2djt h ALA 79 Ca 0.30 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2djt h ALA 79 Cb 0.05 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2djt h ALA 79 CO -0.12 -0.58 0.53 0.28 0.00 0.00 0.00 179.25 179.35 2djt h VAL 80 N -0.49 1.04 -0.93 0.00 2.07 -1.13 -1.75 116.25 115.05 2djt h VAL 80 Ca -0.03 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.24 2djt h VAL 80 Cb 0.37 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 2djt h VAL 80 CO 0.05 0.18 0.58 -0.08 0.02 0.00 0.00 177.57 178.32 2djt h GLU 81 N 0.96 0.97 -0.38 1.57 4.57 -0.86 -0.64 114.58 120.77 2djt h GLU 81 Ca 0.37 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.43 2djt h GLU 81 Cb 0.17 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2djt h GLU 81 CO -0.17 0.64 -0.02 0.00 -1.18 0.00 0.00 179.01 178.28 2djt h ARG 82 N 1.00 0.61 -0.00 1.92 2.47 -0.98 -1.19 114.38 118.20 2djt h ARG 82 Ca 0.43 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 59.00 2djt h ARG 82 Cb 0.30 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2djt h ARG 82 CO -0.22 0.64 -0.00 0.82 0.56 0.00 0.00 179.97 181.78 2djt h ILE 83 N 0.58 1.36 0.00 2.04 2.04 -0.84 -0.94 117.51 121.75 2djt h ILE 83 Ca 0.12 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 2djt h ILE 83 Cb 0.39 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2djt h ILE 83 CO 0.02 0.28 -0.11 0.08 0.00 0.00 0.00 178.15 178.41 2djt h ARG 84 N -0.44 0.00 -0.13 2.37 0.11 -1.12 -0.92 114.38 114.25 2djt h ARG 84 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2djt h ARG 84 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2djt h ARG 84 CO 0.00 0.11 0.00 0.00 0.10 0.00 0.00 179.97 180.18 2djt n ALA 85 N -2.31 2.49 0.32 0.08 0.00 -0.46 -4.16 120.51 116.48 2djt n ALA 85 Ca -0.02 -0.66 0.15 0.00 0.00 0.00 0.00 53.44 52.91 2djt n ALA 85 Cb 0.22 -0.97 0.65 0.00 0.00 0.00 0.00 19.45 19.35 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 4.77 0.00 0.00 0.00 0.00 0.28 -3.49 103.07 104.63 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 -0.19 -1.41 0.00 4.60 0.00 -1.26 -4.30 105.19 102.62 2djt n GLY 87 Ca 0.01 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.19 2djt n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djt n PRO 88 N 0.00 0.16 -4.52 1.61 -0.04 -1.26 -4.58 135.00 126.37 2djt n PRO 88 Ca 0.00 0.17 -0.28 0.00 -0.04 0.00 0.00 63.50 63.35 2djt n PRO 88 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 2djt n PRO 88 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2djt s GLN 89 N -2.67 2.23 -0.10 0.54 -1.52 -1.26 -3.73 119.66 113.14 2djt s GLN 89 Ca 0.12 -0.57 -0.17 0.00 -1.95 0.00 0.00 55.36 52.79 2djt s GLN 89 Cb 0.10 -1.87 -0.05 0.00 -0.22 0.00 0.00 33.01 30.97 2djt s GLN 89 CO 0.23 -0.04 0.44 -1.17 -0.25 0.00 0.00 175.29 174.50 2djt s LEU 90 N 0.91 4.30 -0.15 2.90 0.20 -1.09 -4.75 118.68 121.01 2djt s LEU 90 Ca -0.08 0.79 -0.00 0.00 0.69 0.00 0.00 54.13 55.53 2djt s LEU 90 Cb -0.15 -2.62 0.03 0.00 -0.43 0.00 0.00 46.19 43.01 2djt s LEU 90 CO -0.00 0.07 -0.08 -2.28 -0.29 0.00 0.00 176.35 173.76 2djt s HIS 91 N 0.32 1.79 -0.04 5.38 2.46 -1.25 -3.21 115.29 120.73 2djt s HIS 91 Ca 0.24 -1.04 0.01 0.00 0.47 0.00 0.00 55.06 54.75 2djt s HIS 91 Cb -0.15 -1.38 0.02 0.00 -0.13 0.00 0.00 32.58 30.94 2djt s HIS 91 CO 0.10 -0.60 -0.06 -0.51 -2.47 0.00 0.00 174.74 171.19 2djt s LEU 92 N 1.61 1.46 -0.45 8.88 1.43 -1.15 -0.43 118.68 130.03 2djt s LEU 92 Ca 0.03 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 2djt s LEU 92 Cb -0.14 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.60 2djt s LEU 92 CO -0.09 -0.02 0.57 -0.69 0.23 0.00 0.00 176.35 176.36 2djt s VAL 93 N 0.74 4.92 0.09 -1.59 1.01 0.36 -1.04 120.40 124.89 2djt s VAL 93 Ca -0.11 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.81 2djt s VAL 93 Cb -0.14 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2djt s VAL 93 CO 0.01 -0.58 -0.18 -0.63 0.00 0.00 0.00 175.10 173.71 2djt s ILE 94 N 2.57 2.81 -0.30 2.22 -1.09 -0.31 -1.75 121.20 125.36 2djt s ILE 94 Ca 0.18 -1.38 -0.02 0.00 -2.23 0.00 0.00 60.65 57.20 2djt s ILE 94 Cb -0.16 -2.24 0.10 0.00 -1.58 0.00 0.00 42.46 38.57 2djt s ILE 94 CO 0.16 0.20 0.10 -0.60 -1.23 0.00 0.00 174.94 173.57 2djt s ARG 95 N -1.85 0.53 0.01 2.79 3.52 -1.10 -1.51 118.95 121.34 2djt s ARG 95 Ca 0.16 -0.85 -0.33 0.00 -0.13 0.00 0.00 55.73 54.59 2djt s ARG 95 Cb -0.11 -1.72 -0.11 0.00 -1.56 0.00 0.00 34.95 31.46 2djt s ARG 95 CO 0.08 -0.98 1.86 0.54 -0.81 0.00 0.00 175.30 176.00 2djt n ARG 96 N 5.00 2.47 -0.49 5.12 1.74 -1.26 -4.49 116.66 124.74 2djt n ARG 96 Ca -0.04 0.90 -0.14 0.00 -0.77 0.00 0.00 57.85 57.80 2djt n ARG 96 Cb 0.42 -2.78 0.12 0.00 -1.02 0.00 0.00 32.46 29.21 2djt n ARG 96 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2djt n PRO 97 N 6.29 -2.04 -0.02 5.56 -0.04 -1.26 -5.06 135.00 138.44 2djt n PRO 97 Ca 0.20 -0.83 -0.02 0.00 -0.04 0.00 0.00 63.50 62.82 2djt n PRO 97 Cb 0.34 -0.78 -0.01 0.00 -0.04 0.00 0.00 33.50 33.01 2djt n PRO 97 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2djt n LEU 98 N 0.00 0.48 -0.07 1.53 0.00 -1.26 -4.91 117.00 112.77 2djt n LEU 98 Ca 0.07 0.08 -0.04 0.00 0.00 0.00 0.00 56.01 56.12 2djt n LEU 98 Cb 0.28 -0.53 -0.01 0.00 0.00 0.00 0.00 43.42 43.16 2djt n LEU 98 CO 0.19 -0.45 -0.32 -1.28 0.00 0.00 0.00 177.39 175.53 2djt h SER 99 N -0.24 0.00 0.00 1.96 0.87 -2.04 -3.51 113.55 110.59 2djt h SER 99 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2djt h SER 99 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2djt h SER 99 CO 0.00 0.73 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2djt n GLY 100 N 1.63 0.43 3.72 5.77 0.00 -1.26 -5.10 105.19 110.38 2djt n GLY 100 Ca -0.07 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.69 1.25 -0.06 1.61 0.04 -1.26 -5.07 135.00 130.83 2djt s PRO 101 Ca 0.00 0.82 0.02 0.00 0.04 0.00 0.00 61.00 61.87 2djt s PRO 101 Cb 0.00 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2djt s PRO 101 CO 0.00 -2.24 -0.09 0.45 0.04 0.00 0.00 177.00 175.15 2djt s SER 102 N -3.42 1.46 -0.53 6.66 0.15 -1.26 -5.03 113.70 111.73 2djt s SER 102 Ca 0.63 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 57.07 2djt s SER 102 Cb -0.18 -0.69 0.44 0.00 -1.71 0.00 0.00 66.02 63.88 2djt s SER 102 CO 0.57 0.00 1.62 -1.54 1.20 0.00 0.00 173.24 175.09 2djt n SER 103 N 3.89 6.33 -0.76 5.45 3.41 -1.26 -5.30 113.62 125.38 2djt n SER 103 Ca -0.24 -3.77 0.13 0.00 -0.26 0.00 0.00 58.87 54.73 2djt n SER 103 Cb 0.51 -0.70 0.28 0.00 -0.26 0.00 0.00 64.21 64.04 2djt n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49