#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 5.23 -0.35 1.61 0.01 -1.26 -5.08 113.70 113.85 2djt s SER 2 Ca 0.00 -0.42 -0.10 0.00 1.31 0.00 0.00 55.95 56.75 2djt s SER 2 Cb 0.00 -0.38 0.02 0.00 0.21 0.00 0.00 66.02 65.87 2djt s SER 2 CO 0.00 -1.16 0.17 -0.94 0.41 0.00 0.00 173.24 171.72 2djt s SER 3 N -4.50 5.59 0.58 2.44 1.04 -1.26 -5.01 113.70 112.58 2djt s SER 3 Ca 0.59 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2djt s SER 3 Cb -0.08 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2djt s SER 3 CO 0.37 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2djt n GLY 4 N 4.95 -1.29 3.74 7.32 0.00 -1.26 -4.79 105.19 113.87 2djt n GLY 4 Ca -0.12 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.36 3.35 -4.52 1.61 2.88 -1.26 -5.01 113.62 109.31 2djt n SER 5 Ca 0.00 1.22 -0.24 0.00 -1.33 0.00 0.00 58.87 58.52 2djt n SER 5 Cb 0.00 -1.56 -0.11 0.00 -0.75 0.00 0.00 64.21 61.79 2djt n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2djt s SER 6 N -0.21 3.03 0.00 -3.46 0.15 -1.26 -5.07 113.70 106.87 2djt s SER 6 Ca 0.54 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.82 2djt s SER 6 Cb -0.51 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 2djt s SER 6 CO 0.63 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2djt n GLY 7 N -0.80 -2.72 3.32 9.45 0.00 -1.26 -5.10 105.19 108.07 2djt n GLY 7 Ca -0.03 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.33 1.25 -0.14 1.61 -1.52 -1.26 -5.09 119.66 111.18 2djt s GLN 8 Ca 0.00 -1.56 -0.09 0.00 -1.95 0.00 0.00 55.36 51.76 2djt s GLN 8 Cb 0.00 -0.92 -0.03 0.00 -0.22 0.00 0.00 33.01 31.84 2djt s GLN 8 CO 0.00 0.12 -0.18 0.00 -0.25 0.00 0.00 175.29 174.98 2djt n ALA 9 N -0.33 0.45 -0.02 6.09 0.00 -1.26 -4.60 120.51 120.84 2djt n ALA 9 Ca -0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 2djt n ALA 9 Cb 0.61 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.98 2djt n ALA 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2djt h SER 10 N -1.00 0.09 -1.30 0.00 0.87 -1.97 -3.39 113.55 106.86 2djt h SER 10 Ca 0.00 -0.49 -0.47 0.00 -1.23 0.00 0.00 61.79 59.60 2djt h SER 10 Cb 0.51 -0.02 0.12 0.00 -0.44 0.00 0.00 62.40 62.56 2djt h SER 10 CO 0.00 0.56 -0.74 0.61 -0.53 0.00 0.00 176.83 176.73 2djt n GLY 11 N 0.24 -2.12 3.76 5.77 0.00 -1.26 -4.01 105.19 107.57 2djt n GLY 11 Ca -0.08 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.30 2.77 0.26 1.61 3.76 -1.26 -4.71 115.29 116.42 2djt s HIS 12 Ca 0.44 0.95 0.01 0.00 -0.15 0.00 0.00 55.06 56.32 2djt s HIS 12 Cb -0.46 -3.99 -0.05 0.00 1.11 0.00 0.00 32.58 29.18 2djt s HIS 12 CO 0.48 -3.19 0.09 -0.59 -0.85 0.00 0.00 174.74 170.67 2djt s PHE 13 N -0.34 1.54 0.17 1.40 -0.71 -0.57 -4.99 117.98 114.48 2djt s PHE 13 Ca 0.59 -1.16 0.09 0.00 -1.04 0.00 0.00 56.93 55.42 2djt s PHE 13 Cb -0.46 -0.91 -0.04 0.00 -1.21 0.00 0.00 43.02 40.40 2djt s PHE 13 CO 0.51 -0.31 -0.14 -1.54 -1.34 0.00 0.00 175.22 172.41 2djt s SER 14 N -3.31 4.04 -0.19 1.98 1.04 -1.26 -1.22 113.70 114.78 2djt s SER 14 Ca 0.37 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 2djt s SER 14 Cb 0.08 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.58 2djt s SER 14 CO 0.13 0.12 -0.08 -0.69 0.98 0.00 0.00 173.24 173.70 2djt s VAL 15 N -1.60 3.17 -0.10 5.02 1.01 0.14 -4.91 120.40 123.13 2djt s VAL 15 Ca 0.23 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2djt s VAL 15 Cb -0.09 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2djt s VAL 15 CO 0.13 0.47 -0.05 -1.61 0.00 0.00 0.00 175.10 174.04 2djt s GLU 16 N 1.08 3.11 0.01 2.72 2.02 -1.26 -3.13 118.70 123.25 2djt s GLU 16 Ca 0.01 -0.52 -0.24 0.00 0.02 0.00 0.00 54.97 54.24 2djt s GLU 16 Cb -0.15 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.41 2djt s GLU 16 CO -0.02 0.52 0.55 -0.51 0.02 0.00 0.00 175.26 175.83 2djt s LEU 17 N -0.42 -0.17 -0.29 1.80 1.43 -1.25 -5.00 118.68 114.80 2djt s LEU 17 Ca 0.07 0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 2djt s LEU 17 Cb -0.12 2.17 -0.03 0.00 0.03 0.00 0.00 46.19 48.24 2djt s LEU 17 CO 0.02 -0.65 0.16 -0.69 0.23 0.00 0.00 176.35 175.42 2djt s VAL 18 N -1.89 4.89 -0.78 -1.59 1.01 -1.26 -2.58 120.40 118.20 2djt s VAL 18 Ca -0.08 -0.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.48 2djt s VAL 18 Cb -0.01 -3.38 -0.19 0.00 0.00 0.00 0.00 36.38 32.80 2djt s VAL 18 CO 0.03 0.20 2.31 -1.14 0.00 0.00 0.00 175.10 176.49 2djt n ARG 19 N 5.01 0.00 0.00 2.72 0.63 -1.04 -4.87 116.66 119.11 2djt n ARG 19 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2djt n ARG 19 Cb 0.51 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.06 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 6.16 0.09 3.54 5.14 0.00 -1.14 -4.94 105.19 114.04 2djt n GLY 20 Ca 0.57 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 2djt n GLY 20 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2djt s TYR 21 N 0.00 3.20 -0.65 1.61 1.13 -1.26 -4.40 117.35 116.97 2djt s TYR 21 Ca 0.00 -0.11 -0.02 0.00 -1.41 0.00 0.00 57.07 55.53 2djt s TYR 21 Cb 0.00 -2.38 0.00 0.00 -1.10 0.00 0.00 41.96 38.48 2djt s TYR 21 CO 0.00 -0.27 0.56 0.00 -2.51 0.00 0.00 175.55 173.33 2djt n ALA 22 N 5.04 -0.89 0.00 9.51 0.00 -1.26 -4.81 120.51 128.11 2djt n ALA 22 Ca -0.14 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2djt n ALA 22 Cb 0.51 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.16 -1.72 0.19 0.00 0.00 -1.26 -4.37 105.19 96.88 2djt n GLY 23 Ca -0.08 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.12 1.61 3.72 -1.26 -2.90 117.46 116.52 2djt n PHE 24 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2djt n PHE 24 Cb 0.00 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.46 0.06 3.55 1.37 0.00 -1.26 -3.76 105.19 106.61 2djt n GLY 25 Ca 0.07 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.48 3.52 -0.04 0.99 2.96 -1.26 -1.01 118.68 120.36 2djt s LEU 26 Ca 0.00 -0.05 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 2djt s LEU 26 Cb 0.00 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2djt s LEU 26 CO 0.00 0.14 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.07 2djt s THR 27 N 0.56 1.71 -0.10 3.68 2.01 -1.10 -5.04 115.64 117.37 2djt s THR 27 Ca 0.01 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 2djt s THR 27 Cb -0.14 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 2djt s THR 27 CO 0.02 0.48 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.64 2djt s LEU 28 N -0.24 3.35 -0.26 4.42 1.43 -1.26 -0.45 118.68 125.66 2djt s LEU 28 Ca 0.01 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2djt s LEU 28 Cb -0.11 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.40 2djt s LEU 28 CO 0.01 0.30 -0.11 -0.83 0.23 0.00 0.00 176.35 175.96 2djt s GLY 29 N -0.43 1.65 0.00 -3.19 0.00 -1.07 -4.83 107.32 99.45 2djt s GLY 29 Ca 0.07 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.06 2djt s GLY 29 CO 0.02 0.59 0.00 0.61 0.00 0.00 0.00 173.10 174.33 2djt n GLY 30 N 4.45 0.26 7.00 0.20 0.00 -1.26 -4.33 105.19 111.51 2djt n GLY 30 Ca -0.14 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.89 3.54 -0.02 0.00 -0.70 -4.65 105.19 101.47 2djt n GLY 31 Ca 0.00 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 3.35 0.18 1.61 3.52 -1.20 -1.76 118.95 124.65 2djt s ARG 32 Ca 0.00 -0.13 0.09 0.00 -0.13 0.00 0.00 55.73 55.56 2djt s ARG 32 Cb 0.00 -4.08 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 2djt s ARG 32 CO 0.00 -1.72 -0.20 0.34 -0.81 0.00 0.00 175.30 172.91 2djt s ASP 33 N 3.14 2.93 0.37 -2.12 2.15 -0.17 -1.77 116.67 121.20 2djt s ASP 33 Ca 0.35 -0.87 0.27 0.00 0.43 0.00 0.00 52.55 52.73 2djt s ASP 33 Cb -0.10 -0.19 1.29 0.00 -0.30 0.00 0.00 42.92 43.62 2djt s ASP 33 CO 0.20 0.01 1.80 -0.37 -0.17 0.00 0.00 175.17 176.65 2djt h VAL 34 N 3.20 0.00 0.00 1.11 -1.51 -2.00 -1.53 116.25 115.52 2djt h VAL 34 Ca -0.43 -0.13 -0.16 0.00 -1.23 0.00 0.00 66.70 64.75 2djt h VAL 34 Cb 1.21 0.82 -0.03 0.00 -2.13 0.00 0.00 31.29 31.16 2djt h VAL 34 CO 0.50 0.00 -1.35 0.00 -1.23 0.00 0.00 177.57 175.49 2djt h ALA 35 N 2.09 0.65 -1.81 5.19 0.00 -1.98 -3.49 119.26 119.90 2djt h ALA 35 Ca 0.00 -0.78 0.24 0.00 0.00 0.00 0.00 54.91 54.37 2djt h ALA 35 Cb 0.18 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.09 2djt h ALA 35 CO 0.00 0.85 0.68 0.20 0.00 0.00 0.00 179.25 180.98 2djt s GLY 36 N -4.75 -0.35 -0.25 0.00 0.00 -0.58 -5.14 107.32 96.25 2djt s GLY 36 Ca -0.02 0.73 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 2djt s GLY 36 CO 0.81 0.19 -0.06 0.51 0.00 0.00 0.00 173.10 174.55 2djt s ASP 37 N -2.76 4.37 0.01 1.64 -4.77 -1.26 -1.00 116.67 112.89 2djt s ASP 37 Ca 0.12 -0.91 -0.08 0.00 -3.30 0.00 0.00 52.55 48.38 2djt s ASP 37 Cb 0.01 -1.67 0.00 0.00 -1.09 0.00 0.00 42.92 40.18 2djt s ASP 37 CO -0.03 -0.14 0.15 0.42 0.70 0.00 0.00 175.17 176.27 2djt s THR 38 N 1.32 0.09 0.04 2.11 -4.23 -0.72 -5.00 115.64 109.25 2djt s THR 38 Ca -0.00 -0.77 -0.31 0.00 -1.18 0.00 0.00 61.69 59.43 2djt s THR 38 Cb -0.17 -0.58 -0.06 0.00 1.34 0.00 0.00 72.50 73.02 2djt s THR 38 CO -0.04 -0.43 1.41 -2.16 -0.54 0.00 0.00 174.62 172.87 2djt s PRO 39 N -1.75 4.29 0.21 3.99 0.04 -1.26 -1.72 135.00 138.80 2djt s PRO 39 Ca -0.12 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 62.63 2djt s PRO 39 Cb -0.06 -3.47 -0.12 0.00 0.04 0.00 0.00 34.50 30.90 2djt s PRO 39 CO 0.00 -0.54 1.69 -0.51 0.04 0.00 0.00 177.00 177.68 2djt s LEU 40 N 1.99 4.37 -0.06 -3.56 1.43 -1.26 -3.99 118.68 117.60 2djt s LEU 40 Ca 0.65 2.84 -0.23 0.00 -1.03 0.00 0.00 54.13 56.36 2djt s LEU 40 Cb -0.34 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.33 2djt s LEU 40 CO 0.28 -0.94 0.51 0.00 0.23 0.00 0.00 176.35 176.43 2djt s ALA 41 N 1.04 -1.32 0.21 4.21 0.00 -1.26 -1.94 121.76 122.71 2djt s ALA 41 Ca 0.73 0.95 -0.32 0.00 0.00 0.00 0.00 51.96 53.32 2djt s ALA 41 Cb -0.49 -0.09 -0.14 0.00 0.00 0.00 0.00 23.12 22.41 2djt s ALA 41 CO 0.34 -0.31 1.41 0.28 0.00 0.00 0.00 175.76 177.48 2djt n VAL 42 N 1.30 0.74 0.00 0.00 0.31 -1.22 -2.59 118.33 116.87 2djt n VAL 42 Ca -0.19 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2djt n VAL 42 Cb 0.56 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 2.27 0.00 -5.01 5.55 0.00 0.40 -2.97 116.66 116.91 2djt n ARG 43 Ca 0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.67 2djt n ARG 43 Cb 0.30 -0.31 -0.14 0.00 0.00 0.00 0.00 32.46 32.31 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 -2.72 1.42 -0.36 5.14 0.00 -1.20 -4.78 107.32 104.83 2djt s GLY 44 Ca 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.56 2djt s GLY 44 CO 0.00 -0.95 0.12 1.08 0.00 0.00 0.00 173.10 173.35 2djt s LEU 45 N -0.90 4.55 -0.40 0.66 1.43 -1.26 -2.70 118.68 120.06 2djt s LEU 45 Ca 0.12 -1.46 -0.37 0.00 -1.03 0.00 0.00 54.13 51.39 2djt s LEU 45 Cb -0.10 -1.83 -0.13 0.00 0.03 0.00 0.00 46.19 44.16 2djt s LEU 45 CO 0.01 -0.39 2.20 -0.11 0.23 0.00 0.00 176.35 178.29 2djt n LEU 46 N 4.71 1.82 -4.29 1.79 -0.00 -0.18 -4.84 117.00 116.01 2djt n LEU 46 Ca -0.10 0.43 -0.37 0.00 -0.00 0.00 0.00 56.01 55.97 2djt n LEU 46 Cb 0.43 -1.19 0.04 0.00 -0.00 0.00 0.00 43.42 42.70 2djt n LEU 46 CO 0.31 -0.76 -0.49 1.17 -0.00 0.00 0.00 177.39 177.63 2djt n LYS 47 N 8.10 0.14 -4.27 1.96 3.00 -1.26 -1.88 118.16 123.95 2djt n LYS 47 Ca 0.45 0.06 -0.32 0.00 -0.00 0.00 0.00 58.31 58.49 2djt n LYS 47 Cb 0.18 -1.33 -0.07 0.00 0.00 0.00 0.00 35.03 33.81 2djt n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2djt n ASP 48 N 1.62 -0.26 -4.71 3.14 2.03 -1.26 -4.93 116.55 112.18 2djt n ASP 48 Ca 0.07 -1.19 -0.30 0.00 0.52 0.00 0.00 54.79 53.89 2djt n ASP 48 Cb 0.50 -2.03 -0.09 0.00 -0.72 0.00 0.00 41.12 38.78 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2djt s GLY 49 N -4.07 2.76 0.09 0.27 0.00 -0.79 -4.98 107.32 100.61 2djt s GLY 49 Ca 0.23 -1.28 -0.16 0.00 0.00 0.00 0.00 44.72 43.52 2djt s GLY 49 CO 0.97 -2.14 1.41 -0.56 0.00 0.00 0.00 173.10 172.79 2djt h PRO 50 N 1.50 0.65 0.00 2.90 0.13 -1.85 0.36 132.00 135.70 2djt h PRO 50 Ca -0.44 -0.34 -0.09 0.00 -0.87 0.00 0.00 66.00 64.26 2djt h PRO 50 Cb 1.28 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2djt h PRO 50 CO 0.76 0.95 -0.42 0.00 -0.23 0.00 0.00 178.00 179.06 2djt h ALA 51 N 0.69 1.11 0.13 -0.56 0.00 -1.91 -1.98 119.26 116.74 2djt h ALA 51 Ca 0.04 -0.38 -0.34 0.00 0.00 0.00 0.00 54.91 54.23 2djt h ALA 51 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2djt h ALA 51 CO 0.07 0.53 -1.76 0.37 0.00 0.00 0.00 179.25 178.45 2djt h GLN 52 N 0.00 0.27 -0.05 0.00 5.75 -1.79 -3.27 115.11 116.02 2djt h GLN 52 Ca -0.00 -0.47 -0.01 0.00 -0.15 0.00 0.00 58.65 58.02 2djt h GLN 52 Cb 0.85 0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.57 2djt h GLN 52 CO 0.05 1.14 0.01 0.00 -2.65 0.00 0.00 178.83 177.39 2djt h ARG 53 N 0.07 0.08 -0.83 1.69 3.08 -0.24 -2.95 114.38 115.28 2djt h ARG 53 Ca -0.33 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.78 2djt h ARG 53 Cb 2.05 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 32.03 2djt h ARG 53 CO 0.14 0.32 0.54 0.00 -1.07 0.00 0.00 179.97 179.89 2djt n GLY 55 N -1.43 1.46 0.49 0.00 0.00 -1.12 -4.78 105.19 99.83 2djt n GLY 55 Ca 0.13 -0.09 0.39 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.01 -3.99 1.61 1.74 -1.26 -3.69 116.66 111.05 2djt n ARG 56 Ca 0.00 0.95 -0.35 0.00 -0.77 0.00 0.00 57.85 57.68 2djt n ARG 56 Cb 0.00 -2.04 -0.14 0.00 -1.02 0.00 0.00 32.46 29.26 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 -7.85 2.90 0.08 0.55 1.43 -1.26 -5.10 118.68 109.43 2djt s LEU 57 Ca -0.05 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2djt s LEU 57 Cb 0.24 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2djt s LEU 57 CO 0.70 0.00 -0.07 -1.83 0.23 0.00 0.00 176.35 175.39 2djt s GLU 58 N 1.34 0.74 0.04 1.70 -1.05 -1.24 -4.68 118.70 115.54 2djt s GLU 58 Ca 0.04 -1.17 -0.33 0.00 -0.15 0.00 0.00 54.97 53.37 2djt s GLU 58 Cb -0.14 -0.21 -0.12 0.00 -0.44 0.00 0.00 34.13 33.22 2djt s GLU 58 CO -0.02 -0.00 1.82 0.28 0.95 0.00 0.00 175.26 178.29 2djt n VAL 59 N 0.38 0.43 0.00 1.83 0.31 -1.26 -2.12 118.33 117.91 2djt n VAL 59 Ca -0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2djt n VAL 59 Cb 0.59 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 4.18 2.24 3.65 2.92 0.00 -1.16 -4.98 105.19 112.05 2djt n GLY 60 Ca 0.20 0.00 -0.35 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 0.90 -4.34 1.61 8.00 -0.90 -4.83 116.55 116.99 2djt n ASP 61 Ca 0.00 0.68 -0.36 0.00 0.71 0.00 0.00 54.79 55.82 2djt n ASP 61 Cb 0.00 -1.46 -0.14 0.00 -0.02 0.00 0.00 41.12 39.51 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 -3.91 3.12 -0.27 0.64 1.43 -1.26 -3.40 118.68 115.03 2djt s LEU 62 Ca 0.75 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 2djt s LEU 62 Cb -0.34 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2djt s LEU 62 CO 0.49 -0.05 0.44 -0.69 0.23 0.00 0.00 176.35 176.77 2djt s VAL 63 N 1.50 5.13 -0.17 -1.59 1.01 -0.82 -2.51 120.40 122.95 2djt s VAL 63 Ca 0.05 0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 2djt s VAL 63 Cb -0.15 -3.76 -0.22 0.00 0.00 0.00 0.00 36.38 32.25 2djt s VAL 63 CO -0.01 0.13 0.15 0.18 0.00 0.00 0.00 175.10 175.54 2djt n LEU 64 N 5.42 2.50 -4.16 3.92 4.32 -0.81 -4.58 117.00 123.61 2djt n LEU 64 Ca -0.06 0.08 -0.13 0.00 -0.02 0.00 0.00 56.01 55.88 2djt n LEU 64 Cb 0.50 -0.86 -0.08 0.00 -1.62 0.00 0.00 43.42 41.36 2djt n LEU 64 CO 0.39 0.84 -0.09 -1.00 -1.22 0.00 0.00 177.39 176.30 2djt s HIS 65 N -2.54 1.10 -0.13 -1.77 3.76 -1.23 -4.09 115.29 110.39 2djt s HIS 65 Ca -0.25 -1.30 -0.07 0.00 -0.15 0.00 0.00 55.06 53.29 2djt s HIS 65 Cb 0.08 -0.39 0.05 0.00 1.11 0.00 0.00 32.58 33.43 2djt s HIS 65 CO 0.71 -0.81 0.31 0.42 -0.85 0.00 0.00 174.74 174.53 2djt s ILE 66 N -3.87 -0.03 -1.40 0.60 1.01 -0.36 -1.62 121.20 115.53 2djt s ILE 66 Ca 0.35 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 2djt s ILE 66 Cb 0.04 -0.47 0.04 0.00 0.01 0.00 0.00 42.46 42.07 2djt s ILE 66 CO 0.15 0.05 0.85 0.59 0.00 0.00 0.00 174.94 176.58 2djt n ASN 67 N 4.10 -2.99 -1.11 3.58 3.02 0.00 -0.39 115.26 121.47 2djt n ASN 67 Ca -0.23 -0.78 -0.14 0.00 -0.03 0.00 0.00 54.58 53.40 2djt n ASN 67 Cb 0.54 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.58 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 -1.64 1.33 3.48 7.41 0.00 -1.26 -4.95 105.19 109.55 2djt n GLY 68 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.15 2.00 0.09 1.61 2.12 0.47 -5.11 118.70 116.73 2djt s GLU 69 Ca 0.00 -1.03 -0.27 0.00 0.36 0.00 0.00 54.97 54.03 2djt s GLU 69 Cb 0.00 -2.18 -0.06 0.00 0.26 0.00 0.00 34.13 32.15 2djt s GLU 69 CO 0.00 0.52 0.84 -1.12 -0.54 0.00 0.00 175.26 174.96 2djt s SER 70 N -1.69 7.34 0.00 -1.70 0.01 -1.26 -1.22 113.70 115.18 2djt s SER 70 Ca 0.16 1.60 0.30 0.00 1.31 0.00 0.00 55.95 59.32 2djt s SER 70 Cb -0.11 -2.52 1.48 0.00 0.21 0.00 0.00 66.02 65.08 2djt s SER 70 CO 0.07 0.01 1.99 0.35 0.41 0.00 0.00 173.24 176.07 2djt n THR 71 N 2.63 0.00 0.09 1.44 -2.24 -1.26 -3.92 114.28 111.02 2djt n THR 71 Ca -0.01 -0.10 0.20 0.00 -2.27 0.00 0.00 64.05 61.87 2djt n THR 71 Cb 0.50 -0.07 0.75 0.00 -2.10 0.00 0.00 70.33 69.40 2djt n THR 71 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2djt h GLN 72 N 0.93 0.00 -0.00 -0.78 4.20 -1.92 -0.65 115.11 116.89 2djt h GLN 72 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2djt h GLN 72 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2djt h GLN 72 CO 0.00 0.00 -0.09 0.41 -0.67 0.00 0.00 178.83 178.48 2djt n GLY 73 N -1.49 -0.12 3.49 3.46 0.00 -1.25 -4.98 105.19 104.30 2djt n GLY 73 Ca 0.07 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.34 3.51 0.00 0.99 1.43 -0.25 -5.08 118.68 117.94 2djt s LEU 74 Ca 0.03 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 2djt s LEU 74 Cb 0.03 -1.93 0.20 0.00 0.03 0.00 0.00 46.19 44.52 2djt s LEU 74 CO 0.10 0.02 1.19 0.35 0.23 0.00 0.00 176.35 178.24 2djt n THR 75 N 4.56 0.00 -0.19 5.49 -2.24 -1.26 -4.56 114.28 116.08 2djt n THR 75 Ca -0.16 -0.91 -0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2djt n THR 75 Cb 0.52 -1.53 0.10 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.64 0.12 -0.33 4.78 2.76 -1.64 0.15 115.15 119.34 2djt h HIS 76 Ca -0.39 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 57.78 2djt h HIS 76 Cb 1.07 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 2djt h HIS 76 CO 0.00 -0.07 0.01 0.00 -1.30 0.00 0.00 177.93 176.57 2djt h ALA 77 N 1.48 1.40 0.40 5.26 0.00 -1.93 -2.99 119.26 122.88 2djt h ALA 77 Ca 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2djt h ALA 77 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2djt h ALA 77 CO -0.42 0.42 -0.19 1.96 0.00 0.00 0.00 179.25 181.02 2djt h GLN 78 N 0.49 -0.52 -1.63 0.00 1.08 -1.26 -2.60 115.11 110.67 2djt h GLN 78 Ca 0.11 0.04 0.47 0.00 -1.45 0.00 0.00 58.65 57.82 2djt h GLN 78 Cb 0.31 0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.79 2djt h GLN 78 CO 0.01 -0.35 1.28 0.00 -0.95 0.00 0.00 178.83 178.82 2djt h ALA 79 N -1.37 3.54 0.20 3.87 0.00 -0.83 1.39 119.26 126.06 2djt h ALA 79 Ca -0.06 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.48 2djt h ALA 79 Cb 0.41 0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.36 2djt h ALA 79 CO 0.09 -2.11 -1.38 0.28 0.00 0.00 0.00 179.25 176.12 2djt h VAL 80 N 0.00 1.29 -0.29 0.00 2.07 -1.47 -3.20 116.25 114.64 2djt h VAL 80 Ca 0.77 -2.62 -0.15 0.00 0.82 0.00 0.00 66.70 65.53 2djt h VAL 80 Cb 3.32 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 35.98 2djt h VAL 80 CO -0.01 0.79 -0.42 -0.08 0.02 0.00 0.00 177.57 177.87 2djt h GLU 81 N 0.20 0.72 -0.29 1.57 4.57 0.22 -3.03 114.58 118.54 2djt h GLU 81 Ca -0.23 -0.38 0.03 0.00 -1.18 0.00 0.00 59.36 57.60 2djt h GLU 81 Cb 2.07 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.65 2djt h GLU 81 CO 0.26 1.00 0.12 0.00 -1.18 0.00 0.00 179.01 179.21 2djt h ARG 82 N 0.59 0.25 0.34 1.92 2.47 -1.04 -0.29 114.38 118.62 2djt h ARG 82 Ca 0.04 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2djt h ARG 82 Cb 0.96 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.21 2djt h ARG 82 CO 0.09 0.17 -0.31 0.82 0.56 0.00 0.00 179.97 181.30 2djt h ILE 83 N 0.26 0.36 -0.17 2.04 2.04 -1.54 0.29 117.51 120.78 2djt h ILE 83 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 2djt h ILE 83 Cb 0.07 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 2djt h ILE 83 CO -0.11 0.00 -0.14 0.03 0.00 0.00 0.00 178.15 177.93 2djt h ARG 84 N -0.67 -0.15 0.00 2.37 3.08 -1.40 0.23 114.38 117.84 2djt h ARG 84 Ca -0.02 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2djt h ARG 84 Cb 0.60 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 2djt h ARG 84 CO -0.04 -0.10 -0.02 0.00 -1.07 0.00 0.00 179.97 178.74 2djt h ALA 85 N 0.95 1.04 0.00 0.04 0.00 -0.87 -2.74 119.26 117.68 2djt h ALA 85 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2djt h ALA 85 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2djt h ALA 85 CO -0.26 0.02 0.37 0.78 0.00 0.00 0.00 179.25 180.15 2djt h GLY 86 N 0.91 0.00 0.00 0.00 0.00 0.18 -3.47 103.07 100.68 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 -1.26 -0.84 0.27 4.60 0.00 -1.03 -4.53 105.19 102.40 2djt n GLY 87 Ca -0.01 -2.07 0.16 0.00 0.00 0.00 0.00 46.02 44.09 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 -6.01 1.61 0.13 -1.91 -3.44 132.00 122.38 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 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2djt h PRO 88 CO 0.00 0.05 -0.57 -0.65 -0.23 0.00 0.00 178.00 176.60 2djt s GLN 89 N -3.71 3.09 0.01 0.86 -1.52 -1.26 -2.48 119.66 114.64 2djt s GLN 89 Ca 0.01 -0.51 0.03 0.00 -1.95 0.00 0.00 55.36 52.94 2djt s GLN 89 Cb 0.10 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.98 2djt s GLN 89 CO 0.56 0.63 -0.03 -1.17 -0.25 0.00 0.00 175.29 175.02 2djt s LEU 90 N -1.93 3.33 -0.18 2.90 0.20 -1.07 -4.77 118.68 117.17 2djt s LEU 90 Ca 0.25 -0.10 -0.04 0.00 0.69 0.00 0.00 54.13 54.94 2djt s LEU 90 Cb -0.12 -1.92 0.08 0.00 -0.43 0.00 0.00 46.19 43.80 2djt s LEU 90 CO 0.17 0.27 0.22 -2.28 -0.29 0.00 0.00 176.35 174.44 2djt s HIS 91 N -1.06 -0.30 -0.04 5.38 2.46 -1.23 -3.75 115.29 116.74 2djt s HIS 91 Ca 0.19 0.42 0.03 0.00 0.47 0.00 0.00 55.06 56.16 2djt s HIS 91 Cb -0.11 -0.28 0.01 0.00 -0.13 0.00 0.00 32.58 32.06 2djt s HIS 91 CO 0.09 -0.52 -0.11 -0.51 -2.47 0.00 0.00 174.74 171.22 2djt s LEU 92 N 2.34 1.72 -0.40 8.88 1.43 -1.18 -0.82 118.68 130.65 2djt s LEU 92 Ca 0.06 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2djt s LEU 92 Cb -0.15 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.38 2djt s LEU 92 CO -0.11 0.06 0.55 -0.69 0.23 0.00 0.00 176.35 176.40 2djt s VAL 93 N 0.38 4.95 0.16 -1.59 1.01 -0.64 -0.69 120.40 123.98 2djt s VAL 93 Ca -0.08 0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.10 2djt s VAL 93 Cb -0.12 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2djt s VAL 93 CO 0.02 -0.43 -0.25 -0.63 0.00 0.00 0.00 175.10 173.81 2djt s ILE 94 N 2.52 2.36 -0.29 2.22 -1.09 -0.36 -1.92 121.20 124.64 2djt s ILE 94 Ca 0.19 -1.89 -0.02 0.00 -2.23 0.00 0.00 60.65 56.70 2djt s ILE 94 Cb -0.15 -2.09 0.10 0.00 -1.58 0.00 0.00 42.46 38.73 2djt s ILE 94 CO 0.16 -0.02 0.10 -0.60 -1.23 0.00 0.00 174.94 173.35 2djt s ARG 95 N -2.40 0.59 -0.29 2.79 3.52 -1.05 -1.51 118.95 120.60 2djt s ARG 95 Ca 0.18 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 2djt s ARG 95 Cb -0.09 -1.80 -0.07 0.00 -1.56 0.00 0.00 34.95 31.42 2djt s ARG 95 CO 0.08 -0.96 2.23 -2.13 -0.81 0.00 0.00 175.30 173.72 2djt n ARG 96 N 4.96 1.59 -1.09 5.12 0.63 -1.26 -4.51 116.66 122.10 2djt n ARG 96 Ca -0.04 0.41 -0.30 0.00 -0.92 0.00 0.00 57.85 57.01 2djt n ARG 96 Cb 0.42 -2.98 0.23 0.00 0.45 0.00 0.00 32.46 30.58 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 6.49 -1.03 -0.60 -0.14 0.04 -1.26 -4.49 135.00 134.01 2djt s PRO 97 Ca 1.04 0.00 -0.10 0.00 0.04 0.00 0.00 61.00 61.98 2djt s PRO 97 Cb -0.50 -1.61 0.15 0.00 0.04 0.00 0.00 34.50 32.58 2djt s PRO 97 CO 0.39 -3.60 0.49 -0.51 0.04 0.00 0.00 177.00 173.82 2djt s LEU 98 N -6.88 5.95 -0.29 -3.56 1.43 -1.26 -5.00 118.68 109.07 2djt s LEU 98 Ca 0.70 -2.26 -0.19 0.00 -1.03 0.00 0.00 54.13 51.35 2djt s LEU 98 Cb -0.11 -2.06 0.16 0.00 0.03 0.00 0.00 46.19 44.21 2djt s LEU 98 CO 0.56 -0.63 1.11 -0.44 0.23 0.00 0.00 176.35 177.18 2djt s SER 99 N 2.32 -0.34 0.49 2.29 0.01 -1.26 -5.16 113.70 112.05 2djt s SER 99 Ca 0.10 0.58 -0.23 0.00 1.31 0.00 0.00 55.95 57.71 2djt s SER 99 Cb -0.22 0.96 -0.07 0.00 0.21 0.00 0.00 66.02 66.91 2djt s SER 99 CO -0.03 -0.09 1.23 -0.83 0.41 0.00 0.00 173.24 173.93 2djt s GLY 100 N 0.90 2.82 0.35 3.44 0.00 -1.26 -4.98 107.32 108.58 2djt s GLY 100 Ca -0.04 1.08 -0.27 0.00 0.00 0.00 0.00 44.72 45.48 2djt s GLY 100 CO -0.12 1.56 1.21 2.56 0.00 0.00 0.00 173.10 178.31 2djt s PRO 101 N -2.76 4.29 -0.50 2.90 0.04 -1.26 -5.00 135.00 132.70 2djt s PRO 101 Ca 0.66 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.77 2djt s PRO 101 Cb -0.33 -2.94 0.29 0.00 0.04 0.00 0.00 34.50 31.56 2djt s PRO 101 CO 0.39 -0.16 0.73 0.45 0.04 0.00 0.00 177.00 178.45 2djt n SER 102 N 0.59 2.37 -4.86 6.66 2.88 -1.26 -5.10 113.62 114.90 2djt n SER 102 Ca 0.01 -3.21 -0.31 0.00 -1.33 0.00 0.00 58.87 54.03 2djt n SER 102 Cb 0.44 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 2djt n SER 102 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2djt s SER 103 N -2.35 6.54 0.00 -3.46 0.01 -1.26 -5.29 113.70 107.89 2djt s SER 103 Ca 0.41 1.38 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2djt s SER 103 Cb 0.23 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2djt s SER 103 CO -0.08 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.63