#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 -0.41 0.04 1.61 1.04 -1.26 -5.16 113.70 109.55 2djt s SER 2 Ca 0.00 0.75 0.04 0.00 0.48 0.00 0.00 55.95 57.22 2djt s SER 2 Cb 0.00 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 2djt s SER 2 CO 0.00 -0.17 -0.05 -0.94 0.98 0.00 0.00 173.24 173.06 2djt s SER 3 N 1.07 4.75 0.00 7.02 1.04 -1.26 -4.98 113.70 121.34 2djt s SER 3 Ca -0.07 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2djt s SER 3 Cb -0.07 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.94 2djt s SER 3 CO -0.08 0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2djt n GLY 4 N 1.18 0.75 3.61 7.32 0.00 -1.26 -4.94 105.19 111.84 2djt n GLY 4 Ca -0.14 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 2djt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djt s SER 5 N -4.00 5.74 -0.42 1.61 0.15 -1.26 -4.92 113.70 110.60 2djt s SER 5 Ca 0.00 1.73 -0.29 0.00 0.70 0.00 0.00 55.95 58.09 2djt s SER 5 Cb 0.00 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 2djt s SER 5 CO 0.00 -1.76 1.34 -0.44 1.20 0.00 0.00 173.24 173.58 2djt s SER 6 N 6.99 6.44 -0.01 5.45 0.01 -1.26 -5.00 113.70 126.31 2djt s SER 6 Ca 0.91 0.78 0.05 0.00 1.31 0.00 0.00 55.95 58.99 2djt s SER 6 Cb -0.30 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.38 2djt s SER 6 CO 0.35 -1.36 -0.15 -0.83 0.41 0.00 0.00 173.24 171.66 2djt s GLY 7 N 3.49 0.75 -0.69 3.44 0.00 -1.26 -5.10 107.32 107.95 2djt s GLY 7 Ca 0.58 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 44.49 2djt s GLY 7 CO 0.31 -0.51 0.70 -0.86 0.00 0.00 0.00 173.10 172.74 2djt s GLN 8 N -0.30 3.27 -0.14 2.90 -2.07 -1.26 -5.02 119.66 117.04 2djt s GLN 8 Ca 0.05 -1.88 0.02 0.00 -1.82 0.00 0.00 55.36 51.72 2djt s GLN 8 Cb -0.06 -4.39 0.02 0.00 -1.09 0.00 0.00 33.01 27.48 2djt s GLN 8 CO -0.00 -1.41 -0.18 0.00 -1.32 0.00 0.00 175.29 172.38 2djt s ALA 9 N 1.46 2.01 -0.22 2.60 0.00 -1.26 -5.10 121.76 121.26 2djt s ALA 9 Ca 0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 2djt s ALA 9 Cb -0.20 -0.98 0.11 0.00 0.00 0.00 0.00 23.12 22.05 2djt s ALA 9 CO -0.01 -0.15 0.27 -1.12 0.00 0.00 0.00 175.76 174.74 2djt s SER 10 N 1.06 1.06 0.00 0.00 0.01 -1.26 -4.95 113.70 109.62 2djt s SER 10 Ca -0.03 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2djt s SER 10 Cb -0.14 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2djt s SER 10 CO -0.05 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2djt n GLY 11 N 5.33 1.96 3.64 3.44 0.00 -1.26 -4.97 105.19 113.33 2djt n GLY 11 Ca -0.05 -0.25 -0.62 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 1.33 -4.39 1.61 -0.00 -1.26 -4.91 115.22 107.59 2djt n HIS 12 Ca 0.00 1.02 -0.24 0.00 -0.00 0.00 0.00 57.72 58.50 2djt n HIS 12 Cb 0.00 -2.20 -0.09 0.00 -0.00 0.00 0.00 29.99 27.70 2djt n HIS 12 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2djt s PHE 13 N 1.67 2.48 0.16 4.41 -0.12 -0.29 -4.94 117.98 121.34 2djt s PHE 13 Ca 0.97 -0.32 0.06 0.00 -0.05 0.00 0.00 56.93 57.59 2djt s PHE 13 Cb -1.33 -1.16 -0.04 0.00 -0.63 0.00 0.00 43.02 39.86 2djt s PHE 13 CO 0.68 0.64 0.06 -1.54 -0.05 0.00 0.00 175.22 175.01 2djt s SER 14 N -3.61 5.13 -0.21 1.98 1.04 -1.26 -0.98 113.70 115.80 2djt s SER 14 Ca 0.31 -0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 2djt s SER 14 Cb -0.04 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.86 2djt s SER 14 CO 0.17 0.09 -0.09 -0.69 0.98 0.00 0.00 173.24 173.70 2djt s VAL 15 N -1.70 2.95 -0.37 5.02 1.01 0.09 -4.90 120.40 122.48 2djt s VAL 15 Ca 0.29 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2djt s VAL 15 Cb -0.10 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 34.03 2djt s VAL 15 CO 0.21 0.46 0.16 -1.61 0.00 0.00 0.00 175.10 174.32 2djt s GLU 16 N 1.42 2.51 0.20 2.72 2.02 -1.25 -3.16 118.70 123.15 2djt s GLU 16 Ca 0.05 -1.38 0.09 0.00 0.02 0.00 0.00 54.97 53.75 2djt s GLU 16 Cb -0.14 -3.57 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 2djt s GLU 16 CO -0.06 -0.82 -0.17 -0.51 0.02 0.00 0.00 175.26 173.72 2djt s LEU 17 N 1.36 2.52 -0.21 1.80 1.43 -1.19 -4.96 118.68 119.43 2djt s LEU 17 Ca 0.01 -0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 2djt s LEU 17 Cb -0.21 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 2djt s LEU 17 CO 0.01 -0.09 -0.05 -0.69 0.23 0.00 0.00 176.35 175.77 2djt s VAL 18 N -2.59 3.40 -0.29 -1.59 1.01 -1.26 -1.99 120.40 117.09 2djt s VAL 18 Ca 0.21 -0.49 -0.39 0.00 0.00 0.00 0.00 61.98 61.31 2djt s VAL 18 Cb -0.03 -2.54 -0.18 0.00 0.00 0.00 0.00 36.38 33.64 2djt s VAL 18 CO 0.08 0.43 1.24 -1.14 0.00 0.00 0.00 175.10 175.72 2djt n ARG 19 N 4.65 0.00 0.00 2.72 0.63 -1.12 -4.85 116.66 118.69 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 0.51 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 32.10 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 2.75 0.58 3.68 5.14 0.00 -0.08 -4.97 105.19 112.30 2djt n GLY 20 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 2.54 3.45 -1.27 1.61 5.04 -1.26 -4.28 117.35 123.18 2djt s TYR 21 Ca 0.00 1.04 -0.02 0.00 -2.44 0.00 0.00 57.07 55.65 2djt s TYR 21 Cb 0.00 -2.79 0.00 0.00 0.35 0.00 0.00 41.96 39.52 2djt s TYR 21 CO 0.00 -0.07 0.04 0.00 -1.34 0.00 0.00 175.55 174.18 2djt n ALA 22 N 4.56 -1.88 0.00 3.97 0.00 -1.26 -4.39 120.51 121.52 2djt n ALA 22 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2djt n ALA 22 Cb 0.50 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2djt n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djt n GLY 23 N -2.30 -0.40 0.07 0.00 0.00 -1.26 -4.69 105.19 96.61 2djt n GLY 23 Ca -0.26 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 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 0.02 -0.64 1.61 3.72 -1.26 -0.90 117.46 120.01 2djt n PHE 24 Ca 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2djt n PHE 24 Cb 0.00 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 37.70 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 1.59 0.65 3.45 1.37 0.00 -1.26 -4.06 105.19 106.94 2djt n GLY 25 Ca -0.23 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 3.12 0.11 0.99 2.96 -1.26 -0.78 118.68 123.82 2djt s LEU 26 Ca 0.00 -0.20 0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2djt s LEU 26 Cb 0.00 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2djt s LEU 26 CO 0.00 0.14 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.06 2djt s THR 27 N 0.53 1.85 0.12 3.68 2.01 -1.17 -5.04 115.64 117.63 2djt s THR 27 Ca -0.04 -1.60 0.05 0.00 0.31 0.00 0.00 61.69 60.41 2djt s THR 27 Cb -0.15 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2djt s THR 27 CO 0.03 -0.02 0.06 -0.76 -0.69 0.00 0.00 174.62 173.24 2djt s LEU 28 N -1.95 3.64 -0.27 4.42 1.43 -1.26 -1.05 118.68 123.63 2djt s LEU 28 Ca 0.08 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2djt s LEU 28 Cb -0.10 -2.31 0.08 0.00 0.03 0.00 0.00 46.19 43.89 2djt s LEU 28 CO 0.05 0.13 0.06 -0.83 0.23 0.00 0.00 176.35 175.98 2djt s GLY 29 N -2.65 1.07 0.00 -3.19 0.00 -0.74 -4.69 107.32 97.11 2djt s GLY 29 Ca 0.29 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.57 2djt s GLY 29 CO 0.21 1.42 0.00 0.61 0.00 0.00 0.00 173.10 175.34 2djt n GLY 30 N 4.84 0.12 2.25 0.20 0.00 -1.26 -4.03 105.19 107.30 2djt n GLY 30 Ca -0.05 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2djt n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djt n GLY 31 N 0.00 0.83 3.51 -0.02 0.00 -0.28 -4.81 105.19 104.42 2djt n GLY 31 Ca 0.00 -1.41 -0.42 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 0.00 3.28 -0.01 1.61 3.00 -1.26 -0.46 118.95 125.11 2djt s ARG 32 Ca 0.00 -0.57 0.04 0.00 -1.00 0.00 0.00 55.73 54.20 2djt s ARG 32 Cb 0.00 -3.91 -0.03 0.00 0.00 0.00 0.00 34.95 31.01 2djt s ARG 32 CO 0.00 -0.77 -0.13 0.34 0.00 0.00 0.00 175.30 174.74 2djt s ASP 33 N 1.81 4.18 0.39 -2.12 2.15 0.30 -4.47 116.67 118.91 2djt s ASP 33 Ca 0.14 -0.24 0.14 0.00 0.43 0.00 0.00 52.55 53.02 2djt s ASP 33 Cb -0.16 -0.87 0.97 0.00 -0.30 0.00 0.00 42.92 42.56 2djt s ASP 33 CO 0.14 0.30 1.84 1.62 -0.17 0.00 0.00 175.17 178.90 2djt h VAL 34 N 4.02 0.72 -0.02 1.11 3.04 -2.02 -1.05 116.25 122.04 2djt h VAL 34 Ca -0.48 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.02 2djt h VAL 34 Cb 1.16 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2djt h VAL 34 CO 0.51 0.10 -0.36 0.00 -1.01 0.00 0.00 177.57 176.80 2djt n ALA 35 N -2.47 3.37 -3.60 3.17 0.00 -1.26 -5.03 120.51 114.70 2djt n ALA 35 Ca 0.20 -3.14 -0.08 0.00 0.00 0.00 0.00 53.44 50.42 2djt n ALA 35 Cb 0.63 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 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 -3.11 -0.12 -0.17 0.00 0.00 -0.40 -5.15 107.32 98.37 2djt s GLY 36 Ca 0.37 2.38 -0.02 0.00 0.00 0.00 0.00 44.72 47.45 2djt s GLY 36 CO -0.04 1.16 0.03 0.51 0.00 0.00 0.00 173.10 174.75 2djt s ASP 37 N -0.93 2.63 0.02 1.64 -4.77 -1.26 0.11 116.67 114.12 2djt s ASP 37 Ca 0.02 -0.66 -0.01 0.00 -3.30 0.00 0.00 52.55 48.59 2djt s ASP 37 Cb -0.01 -0.57 -0.02 0.00 -1.09 0.00 0.00 42.92 41.23 2djt s ASP 37 CO -0.03 -0.28 -0.00 0.42 0.70 0.00 0.00 175.17 175.98 2djt s THR 38 N 1.88 0.12 -0.05 2.11 -4.23 0.39 -5.00 115.64 110.85 2djt s THR 38 Ca 0.00 -1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 59.19 2djt s THR 38 Cb -0.16 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 2djt s THR 38 CO -0.07 -0.57 1.49 -2.16 -0.54 0.00 0.00 174.62 172.77 2djt s PRO 39 N -1.90 4.22 0.06 3.99 0.04 -1.26 -1.13 135.00 139.03 2djt s PRO 39 Ca -0.12 2.01 -0.37 0.00 0.04 0.00 0.00 61.00 62.57 2djt s PRO 39 Cb -0.06 -3.79 -0.16 0.00 0.04 0.00 0.00 34.50 30.53 2djt s PRO 39 CO -0.02 -0.72 1.41 1.28 0.04 0.00 0.00 177.00 178.99 2djt n LEU 40 N 6.38 1.94 -3.73 -3.56 4.77 -1.26 -4.41 117.00 117.13 2djt n LEU 40 Ca 0.15 1.11 -0.13 0.00 -0.03 0.00 0.00 56.01 57.11 2djt n LEU 40 Cb 0.43 -1.22 -0.10 0.00 -2.33 0.00 0.00 43.42 40.20 2djt n LEU 40 CO 0.60 -0.87 0.09 0.00 -1.33 0.00 0.00 177.39 175.87 2djt s ALA 41 N 0.85 -1.03 0.22 -1.18 0.00 -1.26 -2.55 121.76 116.80 2djt s ALA 41 Ca 0.85 1.22 -0.27 0.00 0.00 0.00 0.00 51.96 53.75 2djt s ALA 41 Cb -0.92 -0.71 -0.17 0.00 0.00 0.00 0.00 23.12 21.32 2djt s ALA 41 CO 0.47 -0.20 0.50 0.28 0.00 0.00 0.00 175.76 176.80 2djt n VAL 42 N 3.01 1.89 0.00 0.00 0.31 -1.17 -1.79 118.33 120.58 2djt n VAL 42 Ca -0.14 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.68 2djt n VAL 42 Cb 0.57 -0.02 -0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.02 0.05 -4.42 5.55 0.00 -0.22 -2.49 116.66 116.15 2djt n ARG 43 Ca 0.17 0.02 -0.26 0.00 -0.00 0.00 0.00 57.85 57.79 2djt n ARG 43 Cb 0.26 -0.35 -0.11 0.00 0.00 0.00 0.00 32.46 32.27 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 -3.44 1.77 -0.28 5.14 0.00 -1.21 -4.81 107.32 104.48 2djt s GLY 44 Ca -0.03 -1.71 -0.00 0.00 0.00 0.00 0.00 44.72 42.98 2djt s GLY 44 CO 0.04 -1.75 0.06 1.08 0.00 0.00 0.00 173.10 172.53 2djt s LEU 45 N -3.01 2.40 0.09 0.66 1.43 -1.26 -3.01 118.68 115.98 2djt s LEU 45 Ca 0.25 -1.50 -0.36 0.00 -1.03 0.00 0.00 54.13 51.49 2djt s LEU 45 Cb -0.07 -0.95 -0.18 0.00 0.03 0.00 0.00 46.19 45.02 2djt s LEU 45 CO 0.13 -0.37 1.06 -0.11 0.23 0.00 0.00 176.35 177.28 2djt n LEU 46 N 4.79 0.50 -4.72 1.79 7.94 0.04 -4.83 117.00 122.50 2djt n LEU 46 Ca -0.04 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.59 2djt n LEU 46 Cb 0.43 -1.05 -0.03 0.00 0.53 0.00 0.00 43.42 43.30 2djt n LEU 46 CO 0.14 -1.76 1.15 -0.75 -1.11 0.00 0.00 177.39 175.06 2djt s LYS 47 N -0.18 4.26 -1.19 1.96 2.36 -1.26 -2.65 119.74 123.04 2djt s LYS 47 Ca 0.81 2.25 -0.07 0.00 -2.55 0.00 0.00 55.97 56.41 2djt s LYS 47 Cb -1.05 -3.18 0.01 0.00 -1.05 0.00 0.00 37.83 32.56 2djt s LYS 47 CO 0.54 -0.52 1.04 -3.47 1.55 0.00 0.00 175.35 174.49 2djt n ASP 48 N 3.72 -5.59 -4.94 1.43 -0.08 -1.26 -5.01 116.55 104.81 2djt n ASP 48 Ca 0.12 -0.48 -0.19 0.00 -1.51 0.00 0.00 54.79 52.72 2djt n ASP 48 Cb 0.40 -4.53 -0.01 0.00 2.34 0.00 0.00 41.12 39.31 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 -3.36 1.93 0.51 0.27 0.00 -1.08 -4.96 107.32 100.63 2djt s GLY 49 Ca 0.48 -1.71 0.29 0.00 0.00 0.00 0.00 44.72 43.78 2djt s GLY 49 CO 0.65 -1.56 1.94 -0.56 0.00 0.00 0.00 173.10 173.57 2djt h PRO 50 N 0.91 0.00 0.10 2.90 0.13 -1.89 -0.96 132.00 133.19 2djt h PRO 50 Ca -0.42 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 2djt h PRO 50 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2djt h PRO 50 CO 0.52 0.11 -1.82 0.00 -0.23 0.00 0.00 178.00 176.58 2djt n ALA 51 N -2.17 0.85 -0.09 -0.56 0.00 -1.26 -3.56 120.51 113.72 2djt n ALA 51 Ca -0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 2djt n ALA 51 Cb 0.34 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 2djt n ALA 51 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2djt h GLN 52 N -0.18 0.59 -0.18 0.00 5.75 -1.80 -2.96 115.11 116.34 2djt h GLN 52 Ca -0.41 -0.29 0.02 0.00 -0.15 0.00 0.00 58.65 57.82 2djt h GLN 52 Cb 1.87 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.40 2djt h GLN 52 CO 0.02 0.87 0.05 0.00 -2.65 0.00 0.00 178.83 177.13 2djt h ARG 53 N 0.31 0.13 -0.66 1.69 3.08 -1.36 -1.92 114.38 115.65 2djt h ARG 53 Ca 0.05 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.21 2djt h ARG 53 Cb 0.74 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 2djt h ARG 53 CO 0.05 0.08 0.45 0.00 -1.07 0.00 0.00 179.97 179.48 2djt n GLY 55 N -1.52 1.26 0.33 0.00 0.00 -0.72 -4.77 105.19 99.76 2djt n GLY 55 Ca 0.12 -0.10 0.29 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 -0.03 -3.79 1.61 1.74 -1.26 -3.83 116.66 111.10 2djt n ARG 56 Ca 0.00 0.94 -0.36 0.00 -0.77 0.00 0.00 57.85 57.66 2djt n ARG 56 Cb 0.00 -1.82 -0.10 0.00 -1.02 0.00 0.00 32.46 29.52 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 -8.46 3.96 0.07 0.55 1.43 -1.26 -5.09 118.68 109.89 2djt s LEU 57 Ca -0.06 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2djt s LEU 57 Cb 0.23 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2djt s LEU 57 CO 0.60 0.10 -0.05 -1.61 0.23 0.00 0.00 176.35 175.63 2djt s GLU 58 N 0.81 0.72 0.06 1.70 0.41 -1.25 -4.72 118.70 116.43 2djt s GLU 58 Ca 0.06 -1.28 -0.31 0.00 -0.41 0.00 0.00 54.97 53.03 2djt s GLU 58 Cb -0.13 0.01 -0.08 0.00 -1.78 0.00 0.00 34.13 32.15 2djt s GLU 58 CO 0.02 -0.07 1.57 0.08 -0.49 0.00 0.00 175.26 176.38 2djt s VAL 59 N -3.78 3.17 0.00 2.63 1.01 -1.26 -2.60 120.40 119.57 2djt s VAL 59 Ca 0.09 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2djt s VAL 59 Cb 0.07 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2djt s VAL 59 CO -0.07 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2djt n GLY 60 N 3.87 1.64 3.45 4.51 0.00 -1.04 -4.95 105.19 112.66 2djt n GLY 60 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.05 -4.70 1.61 9.92 -1.07 -4.67 116.55 116.59 2djt n ASP 61 Ca 0.00 0.86 -0.35 0.00 -0.53 0.00 0.00 54.79 54.77 2djt n ASP 61 Cb 0.00 -1.11 -0.09 0.00 -0.64 0.00 0.00 41.12 39.28 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 1.74 4.11 -0.28 0.64 1.43 -1.26 -3.05 118.68 122.00 2djt s LEU 62 Ca 0.64 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.78 2djt s LEU 62 Cb -0.57 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2djt s LEU 62 CO 0.58 0.16 0.29 -0.69 0.23 0.00 0.00 176.35 176.91 2djt s VAL 63 N 0.50 5.24 -0.17 -1.59 1.01 -1.06 -2.97 120.40 121.37 2djt s VAL 63 Ca 0.07 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2djt s VAL 63 Cb -0.12 -3.62 -0.23 0.00 0.00 0.00 0.00 36.38 32.41 2djt s VAL 63 CO -0.00 0.19 0.24 0.18 0.00 0.00 0.00 175.10 175.71 2djt n LEU 64 N 5.21 2.39 -4.06 3.92 7.99 -0.80 -4.76 117.00 126.88 2djt n LEU 64 Ca -0.11 0.26 -0.10 0.00 -0.01 0.00 0.00 56.01 56.05 2djt n LEU 64 Cb 0.51 -1.04 -0.07 0.00 -0.11 0.00 0.00 43.42 42.71 2djt n LEU 64 CO 0.35 0.67 0.03 -1.00 -1.51 0.00 0.00 177.39 175.93 2djt s HIS 65 N -2.49 0.62 -0.07 -1.77 3.76 -1.23 -4.11 115.29 109.99 2djt s HIS 65 Ca -0.26 -0.94 -0.03 0.00 -0.15 0.00 0.00 55.06 53.68 2djt s HIS 65 Cb 0.07 -0.07 0.04 0.00 1.11 0.00 0.00 32.58 33.73 2djt s HIS 65 CO 0.69 -0.85 0.16 0.42 -0.85 0.00 0.00 174.74 174.30 2djt s ILE 66 N -4.06 -0.08 -1.47 0.60 1.01 -1.02 -0.90 121.20 115.27 2djt s ILE 66 Ca 0.27 0.20 -0.09 0.00 0.00 0.00 0.00 60.65 61.04 2djt s ILE 66 Cb 0.02 -0.26 0.06 0.00 0.01 0.00 0.00 42.46 42.29 2djt s ILE 66 CO 0.09 0.08 0.83 0.59 0.00 0.00 0.00 174.94 176.53 2djt n ASN 67 N 4.39 -3.17 -1.84 3.58 3.02 -0.28 -0.20 115.26 120.76 2djt n ASN 67 Ca -0.23 -0.84 -0.20 0.00 -0.03 0.00 0.00 54.58 53.28 2djt n ASN 67 Cb 0.51 -3.73 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 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 -1.67 1.12 3.21 7.41 0.00 -1.26 -4.95 105.19 109.06 2djt n GLY 68 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.12 3.16 0.10 1.61 0.41 0.72 -5.08 118.70 115.50 2djt s GLU 69 Ca 0.00 -0.75 -0.31 0.00 -0.41 0.00 0.00 54.97 53.50 2djt s GLU 69 Cb 0.00 -2.81 -0.10 0.00 -1.78 0.00 0.00 34.13 29.45 2djt s GLU 69 CO 0.00 -0.22 1.80 -1.12 -0.49 0.00 0.00 175.26 175.23 2djt s SER 70 N 1.38 6.47 0.00 -0.19 0.01 -1.26 -2.44 113.70 117.67 2djt s SER 70 Ca 0.05 2.68 0.20 0.00 1.31 0.00 0.00 55.95 60.19 2djt s SER 70 Cb -0.14 -2.56 0.76 0.00 0.21 0.00 0.00 66.02 64.29 2djt s SER 70 CO -0.08 -0.98 1.55 1.07 0.41 0.00 0.00 173.24 175.21 2djt n THR 71 N 4.80 0.19 -0.22 1.44 5.66 -1.26 -4.15 114.28 120.75 2djt n THR 71 Ca 0.17 -0.30 0.19 0.00 -3.05 0.00 0.00 64.05 61.06 2djt n THR 71 Cb 0.39 0.27 0.52 0.00 -1.55 0.00 0.00 70.33 69.96 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 1.87 0.37 0.00 1.09 4.15 -1.89 -1.32 115.11 119.38 2djt h GLN 72 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2djt h GLN 72 Cb 0.41 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2djt h GLN 72 CO 0.00 0.24 -0.38 0.41 -1.93 0.00 0.00 178.83 177.17 2djt n GLY 73 N -1.53 4.95 3.16 2.39 0.00 -1.26 -5.00 105.19 107.90 2djt n GLY 73 Ca 0.18 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.04 1.99 0.00 0.99 1.43 -0.50 -5.10 118.68 114.44 2djt s LEU 74 Ca 0.36 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 2djt s LEU 74 Cb 0.34 -1.30 0.18 0.00 0.03 0.00 0.00 46.19 45.45 2djt s LEU 74 CO -0.05 0.10 1.07 0.35 0.23 0.00 0.00 176.35 178.06 2djt n THR 75 N 3.78 0.00 -0.00 5.49 -2.24 -1.26 -4.66 114.28 115.39 2djt n THR 75 Ca -0.20 -0.78 -0.10 0.00 -2.27 0.00 0.00 64.05 60.71 2djt n THR 75 Cb 0.52 -1.59 -0.04 0.00 -2.10 0.00 0.00 70.33 67.12 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 -1.65 -0.18 -0.20 4.78 2.76 -1.89 0.21 115.15 118.98 2djt h HIS 76 Ca -0.35 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 57.80 2djt h HIS 76 Cb 0.96 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.00 2djt h HIS 76 CO 0.00 -0.12 -0.02 0.00 -1.30 0.00 0.00 177.93 176.49 2djt h ALA 77 N 1.03 1.59 -0.07 5.26 0.00 -1.93 -0.37 119.26 124.78 2djt h ALA 77 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2djt h ALA 77 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2djt h ALA 77 CO -0.17 0.30 -0.15 1.96 0.00 0.00 0.00 179.25 181.19 2djt h GLN 78 N 0.30 0.22 -0.17 0.00 1.08 -1.66 -0.53 115.11 114.34 2djt h GLN 78 Ca 0.07 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.05 2djt h GLN 78 Cb 0.23 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2djt h GLN 78 CO 0.01 0.74 -0.21 0.00 -0.95 0.00 0.00 178.83 178.42 2djt h ALA 79 N 0.48 1.33 0.23 3.87 0.00 -0.39 -2.96 119.26 121.82 2djt h ALA 79 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2djt h ALA 79 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2djt h ALA 79 CO 0.03 0.46 -0.11 0.28 0.00 0.00 0.00 179.25 179.91 2djt h VAL 80 N 0.28 0.22 -1.49 0.00 2.07 -1.07 -3.24 116.25 113.02 2djt h VAL 80 Ca 0.05 -0.87 0.45 0.00 0.82 0.00 0.00 66.70 67.14 2djt h VAL 80 Cb 0.53 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 2djt h VAL 80 CO 0.04 0.06 1.03 1.05 0.02 0.00 0.00 177.57 179.77 2djt h GLU 81 N -1.05 0.06 -0.35 1.57 -0.00 -1.12 0.72 114.58 114.41 2djt h GLU 81 Ca -0.03 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.28 2djt h GLU 81 Cb 0.34 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.07 2djt h GLU 81 CO 0.05 0.04 0.06 0.00 -0.00 0.00 0.00 179.01 179.16 2djt h ARG 82 N 0.06 0.58 -1.00 1.06 2.47 -1.56 -1.57 114.38 114.42 2djt h ARG 82 Ca 0.78 -0.15 0.14 0.00 -1.26 0.00 0.00 59.98 59.49 2djt h ARG 82 Cb 2.82 -0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 30.98 2djt h ARG 82 CO -0.18 0.65 0.62 0.82 0.56 0.00 0.00 179.97 182.44 2djt h ILE 83 N 0.41 0.85 -0.06 2.04 1.08 0.44 1.24 117.51 123.52 2djt h ILE 83 Ca 0.11 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.21 2djt h ILE 83 Cb 0.35 -0.14 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 2djt h ILE 83 CO 0.01 0.17 -0.17 0.03 -0.69 0.00 0.00 178.15 177.49 2djt h ARG 84 N 0.91 0.22 0.00 2.37 2.47 -1.38 -3.13 114.38 115.85 2djt h ARG 84 Ca 0.52 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 2djt h ARG 84 Cb 0.61 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 2djt h ARG 84 CO -0.30 0.78 0.00 0.00 0.56 0.00 0.00 179.97 181.01 2djt h ALA 85 N 0.44 1.00 -0.83 0.04 0.00 -0.60 -3.17 119.26 116.14 2djt h ALA 85 Ca -0.01 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.15 2djt h ALA 85 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2djt h ALA 85 CO 0.04 0.00 0.69 0.78 0.00 0.00 0.00 179.25 180.76 2djt h GLY 86 N 2.66 0.00 0.00 0.00 0.00 0.16 -3.47 103.07 102.42 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 -1.66 -0.77 0.24 4.60 0.00 -1.20 -4.55 105.19 101.86 2djt n GLY 87 Ca 0.17 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 -5.11 1.61 0.13 -1.91 -3.42 132.00 123.30 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 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 2djt h PRO 88 CO 0.00 0.19 -0.67 -0.65 -0.23 0.00 0.00 178.00 176.64 2djt s GLN 89 N -3.78 3.58 -0.01 0.86 -0.21 -1.26 -2.79 119.66 116.05 2djt s GLN 89 Ca -0.00 -0.54 -0.17 0.00 0.02 0.00 0.00 55.36 54.67 2djt s GLN 89 Cb 0.11 -3.06 -0.06 0.00 1.00 0.00 0.00 33.01 31.00 2djt s GLN 89 CO 0.62 -0.02 0.48 -1.17 -2.12 0.00 0.00 175.29 173.08 2djt s LEU 90 N 1.06 4.44 -0.17 2.90 0.20 -0.84 -4.86 118.68 121.41 2djt s LEU 90 Ca 0.02 1.02 -0.01 0.00 0.69 0.00 0.00 54.13 55.85 2djt s LEU 90 Cb -0.14 -2.72 0.05 0.00 -0.43 0.00 0.00 46.19 42.94 2djt s LEU 90 CO 0.01 0.21 -0.01 -2.28 -0.29 0.00 0.00 176.35 173.99 2djt s HIS 91 N -0.59 1.38 -0.04 5.38 2.46 -1.23 -3.16 115.29 119.50 2djt s HIS 91 Ca 0.26 -0.94 0.03 0.00 0.47 0.00 0.00 55.06 54.89 2djt s HIS 91 Cb -0.17 -1.16 0.00 0.00 -0.13 0.00 0.00 32.58 31.12 2djt s HIS 91 CO 0.14 -0.59 -0.12 -0.51 -2.47 0.00 0.00 174.74 171.19 2djt s LEU 92 N 1.74 1.81 -0.35 8.88 1.43 -1.19 -1.12 118.68 129.88 2djt s LEU 92 Ca 0.00 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 2djt s LEU 92 Cb -0.16 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 2djt s LEU 92 CO -0.07 0.09 0.34 -0.69 0.23 0.00 0.00 176.35 176.25 2djt s VAL 93 N 0.19 5.19 0.08 -1.59 1.01 -0.08 -0.73 120.40 124.47 2djt s VAL 93 Ca -0.04 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 61.98 2djt s VAL 93 Cb -0.10 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2djt s VAL 93 CO 0.01 -0.09 -0.21 -0.63 0.00 0.00 0.00 175.10 174.17 2djt s ILE 94 N 1.96 1.74 -0.33 2.22 -1.09 -0.15 -1.91 121.20 123.64 2djt s ILE 94 Ca 0.10 -1.42 -0.00 0.00 -2.23 0.00 0.00 60.65 57.10 2djt s ILE 94 Cb -0.17 -1.55 0.11 0.00 -1.58 0.00 0.00 42.46 39.27 2djt s ILE 94 CO 0.11 0.07 0.12 -0.60 -1.23 0.00 0.00 174.94 173.41 2djt s ARG 95 N -1.61 0.79 -0.26 2.79 3.52 -1.16 -1.14 118.95 121.89 2djt s ARG 95 Ca 0.07 -1.22 -0.36 0.00 -0.13 0.00 0.00 55.73 54.10 2djt s ARG 95 Cb -0.10 -2.02 -0.12 0.00 -1.56 0.00 0.00 34.95 31.16 2djt s ARG 95 CO 0.03 -1.02 2.00 -2.13 -0.81 0.00 0.00 175.30 173.38 2djt n ARG 96 N 4.63 1.43 -0.19 5.12 3.00 -1.26 -4.60 116.66 124.79 2djt n ARG 96 Ca 0.00 0.47 -0.05 0.00 -0.00 0.00 0.00 57.85 58.27 2djt n ARG 96 Cb 0.41 -2.46 0.04 0.00 0.00 0.00 0.00 32.46 30.45 2djt n ARG 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2djt n PRO 97 N 7.14 -1.41 -2.10 -0.14 -0.04 -1.26 -5.06 135.00 132.13 2djt n PRO 97 Ca 0.32 -0.31 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 2djt n PRO 97 Cb 0.23 -0.29 0.17 0.00 -0.04 0.00 0.00 33.50 33.57 2djt n PRO 97 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2djt n LEU 98 N 0.00 0.00 -4.20 1.53 4.32 -1.26 -5.12 117.00 112.27 2djt n LEU 98 Ca 0.03 -1.66 -0.12 0.00 -0.02 0.00 0.00 56.01 54.23 2djt n LEU 98 Cb 0.11 -0.87 -0.10 0.00 -1.62 0.00 0.00 43.42 40.93 2djt n LEU 98 CO 0.07 -1.27 -0.40 -0.55 -1.22 0.00 0.00 177.39 174.02 2djt s SER 99 N -5.50 1.42 0.00 -1.43 0.15 -1.26 -5.02 113.70 102.06 2djt s SER 99 Ca 0.71 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2djt s SER 99 Cb -0.03 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2djt s SER 99 CO 0.49 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2djt n GLY 100 N -0.07 -1.44 0.11 9.45 0.00 -1.26 -4.93 105.19 107.05 2djt n GLY 100 Ca -0.12 0.56 0.11 0.00 0.00 0.00 0.00 46.02 46.57 2djt n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djt n PRO 101 N 0.00 0.16 -2.62 1.61 -0.04 -1.26 -4.77 135.00 128.08 2djt n PRO 101 Ca 0.00 0.40 -0.36 0.00 -0.04 0.00 0.00 63.50 63.49 2djt n PRO 101 Cb 0.00 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 2djt n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2djt s SER 102 N -4.02 6.91 -0.04 3.54 0.15 -1.26 -5.06 113.70 113.91 2djt s SER 102 Ca 0.05 1.96 -0.04 0.00 0.70 0.00 0.00 55.95 58.62 2djt s SER 102 Cb 0.09 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.83 2djt s SER 102 CO 0.37 -0.38 0.11 -0.44 1.20 0.00 0.00 173.24 174.09 2djt s SER 103 N -1.64 -0.11 0.00 5.45 0.01 -1.26 -5.09 113.70 111.06 2djt s SER 103 Ca 0.56 0.21 0.00 0.00 1.31 0.00 0.00 55.95 58.03 2djt s SER 103 Cb -0.20 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2djt s SER 103 CO 0.25 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.47