#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 -1.33 -0.13 1.61 0.01 -1.26 -5.16 113.70 107.44 2djt s SER 2 Ca 0.00 1.01 -0.12 0.00 1.31 0.00 0.00 55.95 58.15 2djt s SER 2 Cb 0.00 2.19 0.03 0.00 0.21 0.00 0.00 66.02 68.45 2djt s SER 2 CO 0.00 -0.25 0.34 -0.94 0.41 0.00 0.00 173.24 172.80 2djt s SER 3 N 2.87 -0.36 0.00 2.44 1.04 -1.26 -5.10 113.70 113.33 2djt s SER 3 Ca 0.16 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2djt s SER 3 Cb -0.14 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2djt s SER 3 CO -0.21 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2djt n GLY 4 N 2.98 0.21 3.60 7.32 0.00 -1.26 -5.13 105.19 112.91 2djt n GLY 4 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 2djt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djt s SER 5 N -0.46 -0.74 0.21 1.61 0.01 -1.26 -5.18 113.70 107.89 2djt s SER 5 Ca 0.00 1.13 0.04 0.00 1.31 0.00 0.00 55.95 58.42 2djt s SER 5 Cb 0.00 1.51 -0.05 0.00 0.21 0.00 0.00 66.02 67.69 2djt s SER 5 CO 0.00 -0.17 -0.02 -0.94 0.41 0.00 0.00 173.24 172.52 2djt s SER 6 N 1.87 1.82 0.00 2.44 1.04 -1.26 -5.06 113.70 114.55 2djt s SER 6 Ca -0.08 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.18 2djt s SER 6 Cb -0.06 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2djt s SER 6 CO -0.17 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2djt n GLY 7 N -0.38 0.78 3.48 7.32 0.00 -1.26 -5.02 105.19 110.11 2djt n GLY 7 Ca -0.06 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2djt n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2djt s GLN 8 N -0.10 3.66 0.19 1.61 2.00 -1.26 -4.98 119.66 120.79 2djt s GLN 8 Ca 0.00 -1.72 0.06 0.00 -2.00 0.00 0.00 55.36 51.70 2djt s GLN 8 Cb 0.00 -5.04 -0.05 0.00 0.80 0.00 0.00 33.01 28.72 2djt s GLN 8 CO 0.00 -1.88 -0.11 0.00 -0.50 0.00 0.00 175.29 172.80 2djt s ALA 9 N 3.09 1.81 0.22 1.58 0.00 -1.26 -5.16 121.76 122.04 2djt s ALA 9 Ca 0.37 -1.62 0.11 0.00 0.00 0.00 0.00 51.96 50.82 2djt s ALA 9 Cb -0.03 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 2djt s ALA 9 CO -0.08 -0.02 -0.20 -1.12 0.00 0.00 0.00 175.76 174.33 2djt s SER 10 N -3.27 3.23 0.00 0.00 0.01 -1.26 -4.88 113.70 107.53 2djt s SER 10 Ca 0.21 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2djt s SER 10 Cb 0.01 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2djt s SER 10 CO 0.05 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2djt n GLY 11 N -0.13 2.20 3.87 3.44 0.00 -1.26 -5.05 105.19 108.26 2djt n GLY 11 Ca -0.09 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2djt n GLY 11 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2djt s HIS 12 N 0.00 3.43 0.11 1.61 0.00 -1.26 -4.76 115.29 114.41 2djt s HIS 12 Ca 0.00 1.05 0.05 0.00 -3.00 0.00 0.00 55.06 53.16 2djt s HIS 12 Cb 0.00 -2.42 -0.04 0.00 -4.00 0.00 0.00 32.58 26.13 2djt s HIS 12 CO 0.00 0.05 -0.12 -0.59 -1.00 0.00 0.00 174.74 173.08 2djt s PHE 13 N -2.11 1.26 0.59 0.38 -0.12 -0.46 -4.98 117.98 112.54 2djt s PHE 13 Ca 0.51 -0.59 -0.05 0.00 -0.05 0.00 0.00 56.93 56.75 2djt s PHE 13 Cb -0.10 -0.67 0.02 0.00 -0.63 0.00 0.00 43.02 41.63 2djt s PHE 13 CO 0.24 0.08 0.88 -1.54 -0.05 0.00 0.00 175.22 174.84 2djt s SER 14 N -2.41 5.48 -0.13 1.98 1.04 -1.26 -0.45 113.70 117.95 2djt s SER 14 Ca 0.07 0.58 -0.01 0.00 0.48 0.00 0.00 55.95 57.07 2djt s SER 14 Cb -0.04 -1.54 0.03 0.00 0.10 0.00 0.00 66.02 64.56 2djt s SER 14 CO 0.02 -1.11 -0.05 -0.69 0.98 0.00 0.00 173.24 172.39 2djt s VAL 15 N -2.97 0.96 -0.23 5.02 1.01 0.14 -4.83 120.40 119.51 2djt s VAL 15 Ca 0.54 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 2djt s VAL 15 Cb -0.10 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2djt s VAL 15 CO 0.44 0.23 0.06 -1.61 0.00 0.00 0.00 175.10 174.22 2djt s GLU 16 N 1.72 3.72 0.04 2.72 2.02 -1.26 -2.85 118.70 124.82 2djt s GLU 16 Ca 0.03 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.58 2djt s GLU 16 Cb -0.14 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 2djt s GLU 16 CO -0.08 -0.05 -0.06 -0.51 0.02 0.00 0.00 175.26 174.59 2djt s LEU 17 N 1.24 2.28 -0.32 1.80 1.43 -1.19 -5.00 118.68 118.92 2djt s LEU 17 Ca 0.04 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 2djt s LEU 17 Cb -0.14 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.02 2djt s LEU 17 CO 0.03 -0.28 0.18 -0.69 0.23 0.00 0.00 176.35 175.83 2djt s VAL 18 N -1.68 4.86 -0.43 -1.59 1.01 -1.26 -2.45 120.40 118.86 2djt s VAL 18 Ca -0.10 -0.34 -0.40 0.00 0.00 0.00 0.00 61.98 61.14 2djt s VAL 18 Cb -0.08 -3.48 -0.17 0.00 0.00 0.00 0.00 36.38 32.65 2djt s VAL 18 CO -0.01 0.04 1.48 -1.14 0.00 0.00 0.00 175.10 175.48 2djt n ARG 19 N 5.03 0.00 0.00 2.72 0.63 -0.97 -4.80 116.66 119.27 2djt n ARG 19 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 2djt n ARG 19 Cb 0.49 -1.30 0.00 0.00 0.45 0.00 0.00 32.46 32.11 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 4.12 -0.09 3.31 5.14 0.00 -1.08 -4.79 105.19 111.78 2djt n GLY 20 Ca 0.31 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 4.35 -2.95 1.61 9.36 -1.26 -4.35 117.16 123.92 2djt n TYR 21 Ca 0.00 -3.04 -0.12 0.00 3.32 0.00 0.00 57.90 58.06 2djt n TYR 21 Cb 0.00 -2.35 0.06 0.00 -0.63 0.00 0.00 39.34 36.42 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 6.34 -1.60 0.00 2.98 0.00 -1.26 -4.96 120.51 122.01 2djt n ALA 22 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2djt n ALA 22 Cb 0.42 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 4.54 0.07 0.00 0.00 -1.26 -4.96 105.19 102.42 2djt n GLY 23 Ca -0.16 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.98 0.57 -1.27 1.61 3.01 -1.26 -2.65 117.46 115.49 2djt n PHE 24 Ca 0.00 0.17 -0.07 0.00 1.01 0.00 0.00 57.45 58.56 2djt n PHE 24 Cb 0.00 -0.72 -0.03 0.00 -0.01 0.00 0.00 39.48 38.72 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 1.25 0.85 3.66 1.37 0.00 -1.26 -4.12 105.19 106.94 2djt n GLY 25 Ca -0.00 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.60 4.12 0.06 0.99 2.96 -1.26 -0.88 118.68 123.06 2djt s LEU 26 Ca 0.00 0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 2djt s LEU 26 Cb 0.00 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2djt s LEU 26 CO 0.00 0.06 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.97 2djt s THR 27 N 1.07 2.41 -0.12 3.68 2.01 -1.12 -5.05 115.64 118.52 2djt s THR 27 Ca 0.08 -1.40 0.03 0.00 0.31 0.00 0.00 61.69 60.70 2djt s THR 27 Cb -0.14 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.38 2djt s THR 27 CO 0.05 0.29 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.29 2djt s LEU 28 N -1.51 2.21 -0.52 4.42 1.43 -1.26 -0.95 118.68 122.51 2djt s LEU 28 Ca 0.13 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2djt s LEU 28 Cb -0.10 -1.46 0.14 0.00 0.03 0.00 0.00 46.19 44.79 2djt s LEU 28 CO 0.04 0.13 0.33 -0.83 0.23 0.00 0.00 176.35 176.25 2djt s GLY 29 N 0.54 2.23 0.00 -3.19 0.00 -0.28 -4.78 107.32 101.84 2djt s GLY 29 Ca -0.13 -2.86 0.00 0.00 0.00 0.00 0.00 44.72 41.73 2djt s GLY 29 CO 0.04 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.83 2djt n GLY 30 N 4.16 0.01 4.64 0.20 0.00 -1.26 -4.07 105.19 108.87 2djt n GLY 30 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.95 3.61 -0.02 0.00 0.13 -3.82 105.19 103.13 2djt n GLY 31 Ca 0.00 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 3.51 0.21 1.61 3.52 -1.26 -0.83 118.95 125.70 2djt s ARG 32 Ca 0.00 1.61 0.04 0.00 -0.13 0.00 0.00 55.73 57.25 2djt s ARG 32 Cb 0.00 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.20 2djt s ARG 32 CO 0.00 -1.65 0.31 -0.51 -0.81 0.00 0.00 175.30 172.64 2djt s ASP 33 N 5.59 6.24 0.43 -2.12 1.01 0.35 -4.67 116.67 123.50 2djt s ASP 33 Ca 0.79 0.08 0.17 0.00 0.71 0.00 0.00 52.55 54.30 2djt s ASP 33 Cb -0.25 -1.83 0.96 0.00 1.01 0.00 0.00 42.92 42.81 2djt s ASP 33 CO 0.33 -0.02 1.91 0.58 0.21 0.00 0.00 175.17 178.18 2djt h VAL 34 N 1.39 1.02 0.00 -1.27 2.07 -2.01 -2.83 116.25 114.62 2djt h VAL 34 Ca -0.50 -0.97 -0.19 0.00 0.82 0.00 0.00 66.70 65.86 2djt h VAL 34 Cb 1.22 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 2djt h VAL 34 CO 0.64 0.26 -1.67 0.00 0.02 0.00 0.00 177.57 176.82 2djt n ALA 35 N -2.41 1.95 -3.00 1.67 0.00 -1.26 -5.04 120.51 112.42 2djt n ALA 35 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2djt n ALA 35 Cb 0.34 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 1.45 1.62 3.06 0.00 0.00 -1.07 -5.15 105.19 105.09 2djt n GLY 36 Ca -0.13 -0.89 -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 -0.33 2.67 0.07 1.61 1.47 -1.26 0.13 116.67 121.03 2djt s ASP 37 Ca 0.00 -0.49 0.08 0.00 1.18 0.00 0.00 52.55 53.33 2djt s ASP 37 Cb 0.00 -1.19 -0.03 0.00 -0.34 0.00 0.00 42.92 41.36 2djt s ASP 37 CO 0.00 -0.01 -0.23 0.42 0.68 0.00 0.00 175.17 176.03 2djt s THR 38 N 1.21 1.85 -0.18 2.11 -4.23 -0.01 -4.92 115.64 111.47 2djt s THR 38 Ca -0.01 -1.40 -0.29 0.00 -1.18 0.00 0.00 61.69 58.81 2djt s THR 38 Cb -0.14 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 2djt s THR 38 CO -0.06 0.15 1.58 -2.16 -0.54 0.00 0.00 174.62 173.59 2djt s PRO 39 N -1.49 3.93 0.17 3.99 0.04 -1.26 0.17 135.00 140.55 2djt s PRO 39 Ca 0.09 1.78 -0.33 0.00 0.04 0.00 0.00 61.00 62.58 2djt s PRO 39 Cb -0.09 -3.99 -0.15 0.00 0.04 0.00 0.00 34.50 30.31 2djt s PRO 39 CO 0.03 -1.12 1.39 1.28 0.04 0.00 0.00 177.00 178.62 2djt n LEU 40 N 7.93 2.48 -3.69 -3.56 4.77 -1.26 -4.27 117.00 119.40 2djt n LEU 40 Ca 0.18 1.12 -0.13 0.00 -0.03 0.00 0.00 56.01 57.15 2djt n LEU 40 Cb 0.45 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.11 2djt n LEU 40 CO 0.63 -0.71 0.23 0.00 -1.33 0.00 0.00 177.39 176.21 2djt s ALA 41 N 0.31 -1.36 -0.16 -1.18 0.00 -1.25 -1.92 121.76 116.18 2djt s ALA 41 Ca 0.76 1.59 -0.37 0.00 0.00 0.00 0.00 51.96 53.93 2djt s ALA 41 Cb -0.76 -0.93 -0.14 0.00 0.00 0.00 0.00 23.12 21.29 2djt s ALA 41 CO 0.46 -0.27 1.77 0.28 0.00 0.00 0.00 175.76 178.00 2djt n VAL 42 N 2.96 0.38 0.00 0.00 0.31 -1.23 -1.12 118.33 119.63 2djt n VAL 42 Ca -0.15 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2djt n VAL 42 Cb 0.56 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 2djt n VAL 42 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2djt n ARG 43 N 5.60 0.00 -4.42 5.55 0.00 -0.12 -2.61 116.66 120.66 2djt n ARG 43 Ca 0.24 0.28 -0.27 0.00 -0.00 0.00 0.00 57.85 58.10 2djt n ARG 43 Cb 0.20 -0.77 -0.12 0.00 0.00 0.00 0.00 32.46 31.77 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 -2.38 1.69 -0.31 5.14 0.00 -1.25 -4.82 107.32 105.40 2djt s GLY 44 Ca 0.00 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.14 2djt s GLY 44 CO 0.00 -1.63 -0.01 1.08 0.00 0.00 0.00 173.10 172.54 2djt s LEU 45 N -2.57 4.11 0.37 0.66 1.43 -1.26 -2.78 118.68 118.64 2djt s LEU 45 Ca 0.20 -1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 51.24 2djt s LEU 45 Cb -0.08 -1.55 -0.15 0.00 0.03 0.00 0.00 46.19 44.43 2djt s LEU 45 CO 0.09 -0.31 0.28 -0.11 0.23 0.00 0.00 176.35 176.53 2djt n LEU 46 N 4.36 -1.91 -4.71 1.79 7.94 -0.06 -4.87 117.00 119.53 2djt n LEU 46 Ca -0.03 0.90 -0.41 0.00 -1.11 0.00 0.00 56.01 55.35 2djt n LEU 46 Cb 0.42 -0.95 -0.03 0.00 0.53 0.00 0.00 43.42 43.39 2djt n LEU 46 CO 0.21 -3.67 0.61 -0.75 -1.11 0.00 0.00 177.39 172.68 2djt s LYS 47 N -1.13 4.49 -0.50 1.96 2.47 -1.26 -3.51 119.74 122.25 2djt s LYS 47 Ca 0.61 1.23 0.00 0.00 -1.56 0.00 0.00 55.97 56.25 2djt s LYS 47 Cb -0.69 -3.47 0.00 0.00 -1.46 0.00 0.00 37.83 32.21 2djt s LYS 47 CO 0.60 -0.07 0.00 -3.47 0.16 0.00 0.00 175.35 172.58 2djt n ASP 48 N 4.08 -2.45 -4.98 1.43 -0.08 -1.26 -5.04 116.55 108.26 2djt n ASP 48 Ca 0.04 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.13 2djt n ASP 48 Cb 0.51 -1.73 0.03 0.00 2.34 0.00 0.00 41.12 42.27 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 -2.75 1.87 0.17 0.27 0.00 -1.23 -4.99 107.32 100.66 2djt s GLY 49 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 44.72 43.00 2djt s GLY 49 CO 0.00 -1.37 1.52 -0.56 0.00 0.00 0.00 173.10 172.69 2djt h PRO 50 N 0.33 0.80 0.35 2.90 0.13 -1.87 -2.53 132.00 132.11 2djt h PRO 50 Ca -0.39 -0.42 -0.02 0.00 -0.87 0.00 0.00 66.00 64.30 2djt h PRO 50 Cb 1.29 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2djt h PRO 50 CO 0.46 1.05 -0.17 0.00 -0.23 0.00 0.00 178.00 179.11 2djt h ALA 51 N 0.89 -0.47 -0.82 -0.56 0.00 -1.94 -2.14 119.26 114.22 2djt h ALA 51 Ca 0.05 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.99 2djt h ALA 51 Cb 0.96 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 2djt h ALA 51 CO 0.09 -0.47 0.32 0.37 0.00 0.00 0.00 179.25 179.56 2djt h GLN 52 N -1.06 0.39 -0.11 0.00 4.15 -1.82 -0.63 115.11 116.02 2djt h GLN 52 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2djt h GLN 52 Cb 0.45 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2djt h GLN 52 CO 0.08 0.26 0.04 0.00 -1.93 0.00 0.00 178.83 177.28 2djt h ARG 53 N 0.40 0.17 -0.91 1.69 3.08 -1.52 -2.83 114.38 114.46 2djt h ARG 53 Ca 0.48 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.62 2djt h ARG 53 Cb 0.83 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.78 2djt h ARG 53 CO -0.48 0.30 0.58 0.00 -1.07 0.00 0.00 179.97 179.31 2djt n GLY 55 N -1.41 2.66 0.59 0.00 0.00 -0.43 -4.80 105.19 101.80 2djt n GLY 55 Ca 0.17 0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.60 2djt n GLY 55 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2djt h ARG 56 N 0.26 0.03 -5.57 1.61 3.08 -1.88 -3.36 114.38 108.55 2djt h ARG 56 Ca 0.00 -0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2djt h ARG 56 Cb 0.00 -0.01 -0.20 0.00 0.08 0.00 0.00 29.97 29.85 2djt h ARG 56 CO 0.00 0.02 -0.66 -0.51 -1.07 0.00 0.00 179.97 177.75 2djt s LEU 57 N -8.37 3.32 0.05 3.04 1.43 -1.26 -5.06 118.68 111.83 2djt s LEU 57 Ca -0.05 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2djt s LEU 57 Cb 0.25 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 2djt s LEU 57 CO 0.84 0.24 -0.07 -1.61 0.23 0.00 0.00 176.35 175.98 2djt s GLU 58 N -0.07 0.58 -0.10 1.70 2.02 -1.26 -4.76 118.70 116.80 2djt s GLU 58 Ca 0.02 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 2djt s GLU 58 Cb -0.13 -0.21 -0.07 0.00 0.10 0.00 0.00 34.13 33.82 2djt s GLU 58 CO 0.02 0.02 2.05 0.08 0.02 0.00 0.00 175.26 177.45 2djt s VAL 59 N -2.00 3.08 0.00 2.63 1.01 -1.26 -2.26 120.40 121.60 2djt s VAL 59 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2djt s VAL 59 Cb -0.06 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2djt s VAL 59 CO -0.01 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2djt n GLY 60 N 5.09 0.94 3.73 4.51 0.00 -1.07 -5.00 105.19 113.39 2djt n GLY 60 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 2djt n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2djt s ASP 61 N -0.13 3.65 -0.18 1.61 -4.77 -0.96 -4.87 116.67 111.02 2djt s ASP 61 Ca 0.00 1.44 0.00 0.00 -3.30 0.00 0.00 52.55 50.70 2djt s ASP 61 Cb 0.00 -2.13 0.01 0.00 -1.09 0.00 0.00 42.92 39.71 2djt s ASP 61 CO 0.00 -2.52 -0.18 -0.76 0.70 0.00 0.00 175.17 172.41 2djt s LEU 62 N -6.14 2.26 -0.05 2.11 1.43 -1.26 -3.55 118.68 113.48 2djt s LEU 62 Ca 0.63 -0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 52.91 2djt s LEU 62 Cb -0.17 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2djt s LEU 62 CO 0.56 0.01 0.67 -0.69 0.23 0.00 0.00 176.35 177.14 2djt s VAL 63 N 1.22 5.01 -0.13 -1.59 1.01 -0.81 -3.03 120.40 122.08 2djt s VAL 63 Ca 0.03 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.42 2djt s VAL 63 Cb -0.14 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 2djt s VAL 63 CO -0.09 0.30 -0.08 0.18 0.00 0.00 0.00 175.10 175.40 2djt n LEU 64 N 3.51 2.30 -4.04 3.92 4.77 -0.94 -4.67 117.00 121.84 2djt n LEU 64 Ca -0.03 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 2djt n LEU 64 Cb 0.51 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2djt n LEU 64 CO 0.46 0.62 0.11 -1.00 -1.33 0.00 0.00 177.39 176.25 2djt s HIS 65 N -2.27 0.59 -0.19 -1.77 3.76 -1.23 -4.04 115.29 110.14 2djt s HIS 65 Ca -0.15 -0.92 -0.07 0.00 -0.15 0.00 0.00 55.06 53.77 2djt s HIS 65 Cb 0.04 0.04 0.08 0.00 1.11 0.00 0.00 32.58 33.86 2djt s HIS 65 CO 0.34 -0.97 0.42 0.42 -0.85 0.00 0.00 174.74 174.10 2djt s ILE 66 N -3.87 -0.50 -1.40 0.60 1.01 -0.71 -1.73 121.20 114.60 2djt s ILE 66 Ca 0.26 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 2djt s ILE 66 Cb 0.01 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.84 2djt s ILE 66 CO 0.11 0.06 0.58 0.59 0.00 0.00 0.00 174.94 176.28 2djt n ASN 67 N 5.12 -1.09 -2.04 3.58 3.02 -0.09 -0.14 115.26 123.62 2djt n ASN 67 Ca -0.12 -0.93 -0.19 0.00 -0.03 0.00 0.00 54.58 53.31 2djt n ASN 67 Cb 0.51 -3.45 -0.04 0.00 -0.61 0.00 0.00 39.78 36.19 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 -1.79 0.52 3.23 7.41 0.00 -1.26 -4.96 105.19 108.34 2djt n GLY 68 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.43 3.07 -0.10 1.61 2.12 0.80 -5.09 118.70 116.67 2djt s GLU 69 Ca 0.00 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.17 2djt s GLU 69 Cb 0.00 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 2djt s GLU 69 CO 0.00 0.17 1.45 -1.12 -0.54 0.00 0.00 175.26 175.22 2djt s SER 70 N 0.37 6.82 0.00 -1.70 0.01 -1.26 -1.74 113.70 116.19 2djt s SER 70 Ca -0.18 1.97 0.21 0.00 1.31 0.00 0.00 55.95 59.26 2djt s SER 70 Cb -0.18 -2.54 1.09 0.00 0.21 0.00 0.00 66.02 64.60 2djt s SER 70 CO 0.08 -0.83 1.72 1.07 0.41 0.00 0.00 173.24 175.70 2djt n THR 71 N 5.35 0.06 0.28 1.44 5.66 -1.26 -3.98 114.28 121.84 2djt n THR 71 Ca 0.15 -0.12 0.15 0.00 -3.05 0.00 0.00 64.05 61.19 2djt n THR 71 Cb 0.44 -0.06 0.74 0.00 -1.55 0.00 0.00 70.33 69.90 2djt n THR 71 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2djt h GLN 72 N 0.81 0.00 0.00 1.09 4.15 -1.90 0.55 115.11 119.81 2djt h GLN 72 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2djt h GLN 72 Cb 0.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 2djt h GLN 72 CO 0.00 0.00 -0.24 0.41 -1.93 0.00 0.00 178.83 177.07 2djt n GLY 73 N -1.30 2.81 3.20 2.39 0.00 -1.26 -5.05 105.19 105.99 2djt n GLY 73 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.51 2.00 0.41 0.99 1.43 0.18 -5.09 118.68 117.10 2djt s LEU 74 Ca 0.17 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 2djt s LEU 74 Cb 0.15 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 2djt s LEU 74 CO 0.02 0.22 0.41 0.28 0.23 0.00 0.00 176.35 177.50 2djt s THR 75 N -0.26 2.75 0.19 5.49 -1.32 -1.26 -4.44 115.64 116.80 2djt s THR 75 Ca 0.02 -1.28 -0.08 0.00 -1.21 0.00 0.00 61.69 59.14 2djt s THR 75 Cb -0.10 -3.01 0.28 0.00 -1.51 0.00 0.00 72.50 68.16 2djt s THR 75 CO 0.01 -0.01 1.13 1.57 -2.21 0.00 0.00 174.62 175.11 2djt n HIS 76 N -1.59 0.18 0.24 9.09 -0.00 -1.25 0.42 115.22 122.31 2djt n HIS 76 Ca 0.04 0.88 -0.16 0.00 0.46 0.00 0.00 57.72 58.94 2djt n HIS 76 Cb 0.61 -0.87 -0.08 0.00 -0.12 0.00 0.00 29.99 29.53 2djt n HIS 76 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2djt h ALA 77 N 1.30 -0.83 0.58 1.57 0.00 -1.94 -2.07 119.26 117.87 2djt h ALA 77 Ca 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2djt h ALA 77 Cb 0.50 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2djt h ALA 77 CO -0.74 -1.00 -0.49 1.96 0.00 0.00 0.00 179.25 178.98 2djt h GLN 78 N -0.79 -1.00 -1.00 0.00 1.08 -0.39 -2.12 115.11 110.89 2djt h GLN 78 Ca -0.03 0.07 0.29 0.00 -1.45 0.00 0.00 58.65 57.52 2djt h GLN 78 Cb 0.70 0.23 -0.19 0.00 -0.05 0.00 0.00 27.48 28.18 2djt h GLN 78 CO -0.06 -0.67 0.07 0.00 -0.95 0.00 0.00 178.83 177.23 2djt n ALA 79 N -2.77 0.56 0.27 3.87 0.00 0.64 -0.30 120.51 122.77 2djt n ALA 79 Ca -0.13 1.06 -0.16 0.00 0.00 0.00 0.00 53.44 54.22 2djt n ALA 79 Cb 0.47 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 2djt n ALA 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2djt h VAL 80 N 0.00 0.52 -0.95 0.00 2.07 -0.93 -2.07 116.25 114.88 2djt h VAL 80 Ca 0.63 -0.14 0.30 0.00 0.82 0.00 0.00 66.70 68.31 2djt h VAL 80 Cb 1.34 0.58 -0.16 0.00 -1.52 0.00 0.00 31.29 31.53 2djt h VAL 80 CO -0.92 0.02 0.35 -0.08 0.02 0.00 0.00 177.57 176.97 2djt h GLU 81 N -0.73 0.17 0.49 1.57 4.81 -0.00 0.44 114.58 121.33 2djt h GLU 81 Ca -0.07 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2djt h GLU 81 Cb 0.54 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2djt h GLU 81 CO 0.11 0.11 -0.24 0.00 -0.73 0.00 0.00 179.01 178.26 2djt h ARG 82 N 0.17 -0.63 -0.86 1.92 2.47 -1.17 -2.38 114.38 113.90 2djt h ARG 82 Ca 0.67 0.04 0.21 0.00 -1.26 0.00 0.00 59.98 59.64 2djt h ARG 82 Cb 1.50 0.14 -0.13 0.00 -1.65 0.00 0.00 29.97 29.84 2djt h ARG 82 CO -0.71 -0.33 0.31 0.82 0.56 0.00 0.00 179.97 180.62 2djt h ILE 83 N -1.00 0.43 -0.04 2.04 2.04 -0.38 0.73 117.51 121.33 2djt h ILE 83 Ca -0.07 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2djt h ILE 83 Cb 0.60 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2djt h ILE 83 CO 0.11 0.06 0.02 0.03 0.00 0.00 0.00 178.15 178.37 2djt h ARG 84 N 0.32 0.06 0.00 2.37 2.47 -0.97 -2.46 114.38 116.16 2djt h ARG 84 Ca 0.53 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 59.20 2djt h ARG 84 Cb 1.01 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.31 2djt h ARG 84 CO -0.56 0.10 -0.20 0.00 0.56 0.00 0.00 179.97 179.87 2djt h ALA 85 N 0.95 1.08 -1.47 0.04 0.00 -0.48 -3.15 119.26 116.22 2djt h ALA 85 Ca 0.01 -0.18 0.45 0.00 0.00 0.00 0.00 54.91 55.19 2djt h ALA 85 Cb 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 2djt h ALA 85 CO -0.00 0.25 1.00 0.78 0.00 0.00 0.00 179.25 181.28 2djt h GLY 86 N 1.77 0.74 0.00 0.00 0.00 0.88 -3.47 103.07 103.00 2djt h GLY 86 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2djt h GLY 86 CO 0.03 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 176.96 2djt n GLY 87 N -1.67 -0.33 0.25 4.60 0.00 -1.19 -4.59 105.19 102.26 2djt n GLY 87 Ca 0.37 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 -5.08 1.61 0.13 -1.90 -3.42 132.00 123.34 2djt h PRO 88 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2djt h PRO 88 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 2djt h PRO 88 CO 0.00 0.12 -0.59 -0.65 -0.23 0.00 0.00 178.00 176.65 2djt s GLN 89 N -3.75 3.80 -0.09 0.86 -0.21 -1.26 -2.28 119.66 116.73 2djt s GLN 89 Ca 0.00 -0.41 -0.12 0.00 0.02 0.00 0.00 55.36 54.85 2djt s GLN 89 Cb 0.10 -3.30 -0.05 0.00 1.00 0.00 0.00 33.01 30.76 2djt s GLN 89 CO 0.59 0.00 0.28 -1.17 -2.12 0.00 0.00 175.29 172.87 2djt s LEU 90 N 1.12 4.37 -0.21 2.90 0.20 -1.02 -4.86 118.68 121.18 2djt s LEU 90 Ca 0.05 0.65 -0.02 0.00 0.69 0.00 0.00 54.13 55.49 2djt s LEU 90 Cb -0.14 -2.34 0.07 0.00 -0.43 0.00 0.00 46.19 43.34 2djt s LEU 90 CO 0.03 0.29 0.04 -2.28 -0.29 0.00 0.00 176.35 174.14 2djt s HIS 91 N -0.58 1.14 -0.08 5.38 2.46 -1.24 -3.15 115.29 119.22 2djt s HIS 91 Ca 0.18 -0.99 0.02 0.00 0.47 0.00 0.00 55.06 54.74 2djt s HIS 91 Cb -0.14 -1.12 0.02 0.00 -0.13 0.00 0.00 32.58 31.21 2djt s HIS 91 CO 0.07 -0.65 -0.12 -0.51 -2.47 0.00 0.00 174.74 171.06 2djt s LEU 92 N 1.82 1.58 -0.41 8.88 1.43 -1.13 -0.92 118.68 129.93 2djt s LEU 92 Ca 0.00 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 2djt s LEU 92 Cb -0.17 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.22 2djt s LEU 92 CO -0.11 0.01 0.79 -0.69 0.23 0.00 0.00 176.35 176.59 2djt s VAL 93 N 0.85 4.67 0.04 -1.59 1.01 -0.71 -0.68 120.40 124.00 2djt s VAL 93 Ca -0.11 0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.59 2djt s VAL 93 Cb -0.15 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2djt s VAL 93 CO 0.01 -0.61 -0.24 -0.63 0.00 0.00 0.00 175.10 173.64 2djt s ILE 94 N 3.24 1.90 -0.35 2.22 -1.09 0.40 -2.23 121.20 125.29 2djt s ILE 94 Ca 0.31 -1.29 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 2djt s ILE 94 Cb -0.12 -1.64 0.11 0.00 -1.58 0.00 0.00 42.46 39.23 2djt s ILE 94 CO 0.21 0.29 0.11 -0.60 -1.23 0.00 0.00 174.94 173.72 2djt s ARG 95 N -1.20 1.15 -0.59 2.79 3.52 -1.17 -1.36 118.95 122.09 2djt s ARG 95 Ca 0.10 -1.60 -0.34 0.00 -0.13 0.00 0.00 55.73 53.76 2djt s ARG 95 Cb -0.09 -2.55 -0.15 0.00 -1.56 0.00 0.00 34.95 30.59 2djt s ARG 95 CO 0.02 -1.01 2.38 -2.13 -0.81 0.00 0.00 175.30 173.75 2djt n ARG 96 N 4.33 0.56 -1.23 5.12 0.63 -1.26 -4.49 116.66 120.32 2djt n ARG 96 Ca 0.02 0.10 -0.30 0.00 -0.92 0.00 0.00 57.85 56.75 2djt n ARG 96 Cb 0.40 -2.19 0.11 0.00 0.45 0.00 0.00 32.46 31.24 2djt n ARG 96 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2djt s PRO 97 N 7.38 1.76 0.96 -0.14 0.04 -1.26 -4.97 135.00 138.78 2djt s PRO 97 Ca 1.17 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 2djt s PRO 97 Cb -0.97 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 31.62 2djt s PRO 97 CO 0.48 -1.94 -0.48 1.47 0.04 0.00 0.00 177.00 176.57 2djt n LEU 98 N -3.70 -4.51 -0.03 -3.56 -0.00 -1.26 -4.98 117.00 98.96 2djt n LEU 98 Ca 0.08 0.24 -0.05 0.00 -0.00 0.00 0.00 56.01 56.28 2djt n LEU 98 Cb 0.54 -0.87 -0.02 0.00 -0.00 0.00 0.00 43.42 43.07 2djt n LEU 98 CO 0.54 -5.40 -0.38 -1.20 -0.00 0.00 0.00 177.39 170.95 2djt n SER 99 N 2.30 1.46 -4.49 1.45 7.64 -1.26 -5.02 113.62 115.69 2djt n SER 99 Ca 0.01 0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.70 2djt n SER 99 Cb 0.55 -0.56 0.01 0.00 -1.01 0.00 0.00 64.21 63.20 2djt n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djt n GLY 100 N 2.21 -1.16 3.59 0.23 0.00 -1.26 -4.82 105.19 103.98 2djt n GLY 100 Ca -0.08 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2djt n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djt s PRO 101 N -1.71 3.23 -0.43 1.61 0.04 -1.26 -4.91 135.00 131.57 2djt s PRO 101 Ca 0.64 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 2djt s PRO 101 Cb -0.59 -4.20 -0.09 0.00 0.04 0.00 0.00 34.50 29.66 2djt s PRO 101 CO 0.57 -1.98 2.34 0.45 0.04 0.00 0.00 177.00 178.42 2djt n SER 102 N 10.51 2.34 -3.45 6.66 2.88 -1.26 -4.77 113.62 126.54 2djt n SER 102 Ca 0.21 -0.05 -0.49 0.00 -1.33 0.00 0.00 58.87 57.21 2djt n SER 102 Cb 0.48 -1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 62.41 2djt n SER 102 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2djt n SER 103 N 12.93 0.77 0.00 -3.46 3.41 -1.26 -5.28 113.62 120.73 2djt n SER 103 Ca 0.39 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 2djt n SER 103 Cb 0.40 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2djt n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49