#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 5.89 -0.50 1.61 0.15 -1.26 -4.96 113.70 114.63 2djt s SER 2 Ca 0.00 0.09 -0.22 0.00 0.70 0.00 0.00 55.95 56.51 2djt s SER 2 Cb 0.00 -1.68 0.04 0.00 -1.71 0.00 0.00 66.02 62.67 2djt s SER 2 CO 0.00 0.14 0.78 -0.55 1.20 0.00 0.00 173.24 174.81 2djt s SER 3 N -2.63 6.32 -0.55 5.45 0.15 -1.26 -4.99 113.70 116.20 2djt s SER 3 Ca 0.32 -0.45 -0.27 0.00 0.70 0.00 0.00 55.95 56.26 2djt s SER 3 Cb -0.12 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2djt s SER 3 CO 0.25 -1.00 1.95 -0.83 1.20 0.00 0.00 173.24 174.80 2djt s GLY 4 N 2.52 0.18 -0.53 9.45 0.00 -1.26 -4.91 107.32 112.77 2djt s GLY 4 Ca 0.25 -0.40 -0.27 0.00 0.00 0.00 0.00 44.72 44.30 2djt s GLY 4 CO 0.18 3.52 1.78 -0.45 0.00 0.00 0.00 173.10 178.13 2djt s SER 5 N 8.49 5.56 -0.26 1.64 0.15 -1.26 -4.92 113.70 123.11 2djt s SER 5 Ca 0.74 0.58 -0.14 0.00 0.70 0.00 0.00 55.95 57.83 2djt s SER 5 Cb -0.15 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 61.71 2djt s SER 5 CO 0.24 -2.10 0.62 -0.55 1.20 0.00 0.00 173.24 172.64 2djt s SER 6 N 7.02 -0.86 0.00 5.45 0.15 -1.26 -5.16 113.70 119.05 2djt s SER 6 Ca 0.68 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.71 2djt s SER 6 Cb -0.15 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 2djt s SER 6 CO 0.25 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2djt n GLY 7 N 4.42 -2.55 3.53 9.45 0.00 -1.26 -4.75 105.19 114.03 2djt n GLY 7 Ca -0.20 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 2djt n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2djt n GLN 8 N 0.00 -7.70 -1.52 1.61 1.13 -1.26 -4.91 117.38 104.73 2djt n GLN 8 Ca 0.00 0.81 -0.34 0.00 -1.94 0.00 0.00 57.00 55.53 2djt n GLN 8 Cb 0.00 -5.79 0.07 0.00 0.11 0.00 0.00 30.24 24.63 2djt n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2djt n ALA 9 N -4.90 6.13 -1.86 -1.58 0.00 -1.26 -4.96 120.51 112.08 2djt n ALA 9 Ca -0.01 -3.61 -0.42 0.00 0.00 0.00 0.00 53.44 49.41 2djt n ALA 9 Cb 0.56 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2djt n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2djt s SER 10 N -2.08 5.61 0.00 0.00 0.01 -1.26 -3.15 113.70 112.83 2djt s SER 10 Ca 0.61 1.37 0.00 0.00 1.31 0.00 0.00 55.95 59.24 2djt s SER 10 Cb 0.49 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2djt s SER 10 CO -0.04 -1.92 0.00 0.61 0.41 0.00 0.00 173.24 172.29 2djt n GLY 11 N 5.58 2.12 3.73 3.44 0.00 -1.26 -4.97 105.19 113.85 2djt n GLY 11 Ca 0.26 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.13 3.53 0.33 1.61 3.76 -1.19 -4.54 115.29 118.67 2djt s HIS 12 Ca 0.00 0.86 0.10 0.00 -0.15 0.00 0.00 55.06 55.87 2djt s HIS 12 Cb 0.00 -2.50 -0.06 0.00 1.11 0.00 0.00 32.58 31.13 2djt s HIS 12 CO 0.00 0.23 -0.11 -0.59 -0.85 0.00 0.00 174.74 173.41 2djt s PHE 13 N 0.42 2.39 0.26 1.40 -0.12 -0.61 -4.54 117.98 117.18 2djt s PHE 13 Ca 0.24 -0.47 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 2djt s PHE 13 Cb -0.15 -1.32 -0.03 0.00 -0.63 0.00 0.00 43.02 40.89 2djt s PHE 13 CO 0.10 0.61 0.26 -1.54 -0.05 0.00 0.00 175.22 174.60 2djt s SER 14 N -3.59 5.73 -0.10 1.98 1.04 -1.26 -1.30 113.70 116.20 2djt s SER 14 Ca 0.32 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.59 2djt s SER 14 Cb 0.01 -1.47 0.01 0.00 0.10 0.00 0.00 66.02 64.67 2djt s SER 14 CO 0.16 -0.10 -0.18 -0.69 0.98 0.00 0.00 173.24 173.41 2djt s VAL 15 N -2.11 1.68 -0.22 5.02 1.01 0.79 -4.91 120.40 121.65 2djt s VAL 15 Ca 0.35 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2djt s VAL 15 Cb -0.08 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2djt s VAL 15 CO 0.26 0.48 -0.08 -1.61 0.00 0.00 0.00 175.10 174.15 2djt s GLU 16 N 0.71 3.05 0.02 2.72 2.02 -1.26 -2.96 118.70 123.01 2djt s GLU 16 Ca -0.12 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.08 2djt s GLU 16 Cb -0.16 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 2djt s GLU 16 CO 0.02 -0.29 -0.09 -0.51 0.02 0.00 0.00 175.26 174.41 2djt s LEU 17 N 1.37 2.13 -0.31 1.80 1.43 -1.15 -4.99 118.68 118.96 2djt s LEU 17 Ca 0.03 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 2djt s LEU 17 Cb -0.15 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 2djt s LEU 17 CO -0.06 -0.02 0.17 -0.69 0.23 0.00 0.00 176.35 175.99 2djt s VAL 18 N -0.73 4.87 -0.63 -1.59 1.01 -1.26 -2.09 120.40 119.98 2djt s VAL 18 Ca -0.01 -0.25 -0.36 0.00 0.00 0.00 0.00 61.98 61.35 2djt s VAL 18 Cb -0.06 -3.44 -0.19 0.00 0.00 0.00 0.00 36.38 32.69 2djt s VAL 18 CO 0.00 0.10 2.18 -1.14 0.00 0.00 0.00 175.10 176.24 2djt n ARG 19 N 5.02 0.00 0.00 2.72 0.63 -1.19 -4.88 116.66 118.96 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 0.50 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 32.02 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 6.63 1.74 3.74 5.14 0.00 -0.95 -4.94 105.19 116.55 2djt n GLY 20 Ca 0.55 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 3.22 3.32 -1.49 1.61 5.04 -1.26 -3.11 117.35 124.68 2djt s TYR 21 Ca 0.00 1.36 -0.12 0.00 -2.44 0.00 0.00 57.07 55.87 2djt s TYR 21 Cb 0.00 -3.52 0.07 0.00 0.35 0.00 0.00 41.96 38.86 2djt s TYR 21 CO 0.00 -1.50 0.98 0.00 -1.34 0.00 0.00 175.55 173.68 2djt n ALA 22 N 2.22 -1.36 0.00 3.97 0.00 -1.26 -4.59 120.51 119.49 2djt n ALA 22 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2djt n ALA 22 Cb 0.43 -4.34 0.00 0.00 0.00 0.00 0.00 19.45 15.54 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 -1.72 -0.40 0.09 0.00 0.00 -1.18 -4.13 105.19 97.85 2djt n GLY 23 Ca 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 44.77 2djt n GLY 23 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2djt h PHE 24 N 0.00 0.00 -0.52 1.61 0.04 -1.85 -2.51 116.94 113.72 2djt h PHE 24 Ca 0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 2djt h PHE 24 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2djt h PHE 24 CO 0.00 0.82 -0.10 0.41 -0.60 0.00 0.00 178.31 178.84 2djt n GLY 25 N 1.46 0.26 3.56 -1.45 0.00 -1.26 -4.08 105.19 103.68 2djt n GLY 25 Ca -0.12 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.11 3.41 -0.02 0.99 2.96 -1.26 -1.13 118.68 122.52 2djt s LEU 26 Ca 0.00 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 2djt s LEU 26 Cb 0.00 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2djt s LEU 26 CO 0.00 0.22 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.15 2djt s THR 27 N 0.04 1.67 -0.15 3.68 2.01 -1.13 -5.05 115.64 116.72 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 -0.13 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 2djt s THR 27 CO 0.02 0.47 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.59 2djt s LEU 28 N -0.47 3.01 -0.27 4.42 1.43 -1.26 -0.51 118.68 125.04 2djt s LEU 28 Ca 0.07 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2djt s LEU 28 Cb -0.08 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2djt s LEU 28 CO -0.01 0.16 0.02 -0.83 0.23 0.00 0.00 176.35 175.92 2djt s GLY 29 N 0.39 1.71 0.00 -3.19 0.00 -0.94 -4.80 107.32 100.49 2djt s GLY 29 Ca -0.07 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.23 2djt s GLY 29 CO 0.04 0.58 0.00 0.61 0.00 0.00 0.00 173.10 174.33 2djt n GLY 30 N 4.79 0.09 0.00 0.20 0.00 -1.26 -3.83 105.19 105.18 2djt n GLY 30 Ca -0.16 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.61 3.63 -0.02 0.00 0.33 -4.75 105.19 103.77 2djt n GLY 31 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.43 3.78 0.28 1.61 3.00 -1.24 -1.29 118.95 123.66 2djt s ARG 32 Ca 0.00 1.94 0.11 0.00 -1.00 0.00 0.00 55.73 56.78 2djt s ARG 32 Cb 0.00 -4.11 -0.05 0.00 0.00 0.00 0.00 34.95 30.79 2djt s ARG 32 CO 0.00 -1.34 -0.19 0.34 0.00 0.00 0.00 175.30 174.12 2djt s ASP 33 N 4.89 3.54 0.12 -2.12 2.15 0.26 -4.31 116.67 121.20 2djt s ASP 33 Ca 0.80 -1.05 -0.18 0.00 0.43 0.00 0.00 52.55 52.55 2djt s ASP 33 Cb -0.30 -0.29 -0.04 0.00 -0.30 0.00 0.00 42.92 41.98 2djt s ASP 33 CO 0.32 0.00 1.69 0.58 -0.17 0.00 0.00 175.17 177.60 2djt h VAL 34 N 2.26 1.15 -0.29 1.11 2.07 -2.02 -2.30 116.25 118.23 2djt h VAL 34 Ca -0.40 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 2djt h VAL 34 Cb 1.26 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.84 2djt h VAL 34 CO 0.61 0.16 0.16 0.00 0.02 0.00 0.00 177.57 178.52 2djt n ALA 35 N -2.24 3.38 0.00 1.67 0.00 -1.26 -4.92 120.51 117.14 2djt n ALA 35 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2djt n ALA 35 Cb 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2djt n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djt n GLY 36 N 0.02 3.80 3.29 0.00 0.00 -0.87 -5.13 105.19 106.30 2djt n GLY 36 Ca 0.17 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 2djt n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2djt s ASP 37 N 0.00 2.69 0.03 1.61 -1.08 -1.26 0.93 116.67 119.59 2djt s ASP 37 Ca 0.00 -0.61 -0.11 0.00 -0.52 0.00 0.00 52.55 51.32 2djt s ASP 37 Cb 0.00 -0.20 0.01 0.00 -1.46 0.00 0.00 42.92 41.27 2djt s ASP 37 CO 0.00 0.15 0.22 0.42 0.52 0.00 0.00 175.17 176.48 2djt s THR 38 N -0.94 0.10 -0.23 1.71 -4.23 -0.41 -4.90 115.64 106.74 2djt s THR 38 Ca 0.09 -0.78 -0.29 0.00 -1.18 0.00 0.00 61.69 59.52 2djt s THR 38 Cb -0.09 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 2djt s THR 38 CO 0.03 -0.43 1.62 -2.16 -0.54 0.00 0.00 174.62 173.14 2djt s PRO 39 N -2.28 3.77 0.26 3.99 0.04 -1.26 -0.51 135.00 139.00 2djt s PRO 39 Ca -0.07 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2djt s PRO 39 Cb -0.02 -4.04 -0.14 0.00 0.04 0.00 0.00 34.50 30.34 2djt s PRO 39 CO -0.02 -1.32 1.21 1.28 0.04 0.00 0.00 177.00 178.19 2djt n LEU 40 N 8.53 2.45 -3.64 -3.56 4.77 -1.26 -4.37 117.00 119.92 2djt n LEU 40 Ca 0.19 1.17 -0.07 0.00 -0.03 0.00 0.00 56.01 57.27 2djt n LEU 40 Cb 0.45 -1.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.12 2djt n LEU 40 CO 0.65 -0.94 0.62 0.00 -1.33 0.00 0.00 177.39 176.39 2djt s ALA 41 N -0.58 -2.04 0.05 -1.18 0.00 -1.25 -2.48 121.76 114.28 2djt s ALA 41 Ca 0.64 2.10 -0.36 0.00 0.00 0.00 0.00 51.96 54.34 2djt s ALA 41 Cb -0.69 -1.51 -0.19 0.00 0.00 0.00 0.00 23.12 20.73 2djt s ALA 41 CO 0.56 -0.31 0.90 0.28 0.00 0.00 0.00 175.76 177.18 2djt n VAL 42 N 3.13 0.54 0.00 0.00 0.31 -0.90 -2.21 118.33 119.20 2djt n VAL 42 Ca -0.16 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2djt n VAL 42 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 1.33 0.00 -4.39 5.55 0.00 0.33 -2.59 116.66 116.89 2djt n ARG 43 Ca 0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.75 2djt n ARG 43 Cb 0.12 -0.35 -0.13 0.00 0.00 0.00 0.00 32.46 32.10 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 -2.87 1.60 -0.18 5.14 0.00 -1.23 -4.77 107.32 105.00 2djt s GLY 44 Ca 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 2djt s GLY 44 CO 0.00 -1.46 -0.13 1.08 0.00 0.00 0.00 173.10 172.59 2djt s LEU 45 N -2.11 2.52 -0.25 0.66 1.43 -1.26 -2.82 118.68 116.84 2djt s LEU 45 Ca 0.15 -0.49 -0.34 0.00 -1.03 0.00 0.00 54.13 52.42 2djt s LEU 45 Cb -0.10 -1.60 -0.10 0.00 0.03 0.00 0.00 46.19 44.42 2djt s LEU 45 CO 0.06 0.03 2.09 -0.11 0.23 0.00 0.00 176.35 178.65 2djt n LEU 46 N 4.46 2.74 -4.48 1.79 7.94 -0.28 -4.82 117.00 124.35 2djt n LEU 46 Ca -0.19 0.55 -0.53 0.00 -1.11 0.00 0.00 56.01 54.73 2djt n LEU 46 Cb 0.51 -1.35 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 2djt n LEU 46 CO 0.28 -0.52 0.38 1.17 -1.11 0.00 0.00 177.39 177.59 2djt n LYS 47 N 7.76 0.21 -3.73 1.96 0.00 -1.26 0.36 118.16 123.47 2djt n LYS 47 Ca 0.33 0.08 -0.28 0.00 0.00 0.00 0.00 58.31 58.43 2djt n LYS 47 Cb 0.29 -1.39 -0.01 0.00 0.00 0.00 0.00 35.03 33.92 2djt n LYS 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2djt n ASP 48 N 1.78 -3.74 -4.85 3.14 8.00 -1.26 -4.94 116.55 114.67 2djt n ASP 48 Ca 0.18 -0.65 -0.22 0.00 0.71 0.00 0.00 54.79 54.82 2djt n ASP 48 Cb 0.17 -3.07 0.09 0.00 -0.02 0.00 0.00 41.12 38.29 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2djt s GLY 49 N -2.98 1.74 0.18 0.44 0.00 0.16 -4.90 107.32 101.95 2djt s GLY 49 Ca 0.55 -1.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.24 2djt s GLY 49 CO 0.68 -1.45 1.53 -0.56 0.00 0.00 0.00 173.10 173.30 2djt h PRO 50 N -0.18 0.76 -0.22 2.90 0.13 -1.84 -0.45 132.00 133.09 2djt h PRO 50 Ca -0.33 -0.40 -0.21 0.00 -0.87 0.00 0.00 66.00 64.20 2djt h PRO 50 Cb 1.28 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2djt h PRO 50 CO 0.40 1.02 -0.67 0.00 -0.23 0.00 0.00 178.00 178.52 2djt h ALA 51 N 0.92 0.38 0.09 -0.56 0.00 -1.91 -2.20 119.26 115.99 2djt h ALA 51 Ca 0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2djt h ALA 51 Cb 0.96 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2djt h ALA 51 CO 0.09 0.68 -0.04 0.37 0.00 0.00 0.00 179.25 180.35 2djt h GLN 52 N 0.61 -0.12 -0.56 0.00 5.75 -1.82 -2.84 115.11 116.13 2djt h GLN 52 Ca -0.02 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 2djt h GLN 52 Cb 1.29 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.81 2djt h GLN 52 CO 0.14 0.37 0.25 0.00 -2.65 0.00 0.00 178.83 176.94 2djt h ARG 53 N -0.69 0.46 -0.86 1.69 3.08 -1.17 -1.37 114.38 115.53 2djt h ARG 53 Ca -0.01 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.07 2djt h ARG 53 Cb 0.54 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2djt h ARG 53 CO 0.02 0.30 0.56 0.00 -1.07 0.00 0.00 179.97 179.79 2djt n GLY 55 N -1.41 2.79 0.46 0.00 0.00 -0.52 -4.81 105.19 101.70 2djt n GLY 55 Ca 0.13 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.44 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 0.57 0.21 -5.53 1.61 2.47 -1.86 -3.37 114.38 108.47 2djt h ARG 56 Ca 0.00 -0.01 -0.66 0.00 -1.26 0.00 0.00 59.98 58.05 2djt h ARG 56 Cb 0.00 -0.05 -0.23 0.00 -1.65 0.00 0.00 29.97 28.04 2djt h ARG 56 CO 0.00 0.14 -0.72 -0.51 0.56 0.00 0.00 179.97 179.44 2djt s LEU 57 N -9.12 3.00 0.02 3.04 1.43 -1.26 -5.09 118.68 110.70 2djt s LEU 57 Ca -0.07 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2djt s LEU 57 Cb 0.25 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 2djt s LEU 57 CO 0.80 0.22 -0.03 -1.61 0.23 0.00 0.00 176.35 175.96 2djt s GLU 58 N 0.07 0.27 -0.22 1.70 2.02 -1.26 -4.66 118.70 116.62 2djt s GLU 58 Ca -0.03 -0.45 -0.39 0.00 0.02 0.00 0.00 54.97 54.12 2djt s GLU 58 Cb -0.14 -0.01 -0.15 0.00 0.10 0.00 0.00 34.13 33.93 2djt s GLU 58 CO 0.04 -0.01 1.74 0.28 0.02 0.00 0.00 175.26 177.32 2djt n VAL 59 N 2.04 0.32 0.00 2.63 0.31 -1.26 -1.49 118.33 120.88 2djt n VAL 59 Ca -0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2djt n VAL 59 Cb 0.56 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 4.11 1.31 3.53 2.92 0.00 -1.07 -5.02 105.19 110.97 2djt n GLY 60 Ca 0.25 -0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 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 0.02 0.53 -4.89 1.61 9.92 -0.56 -4.68 116.55 118.51 2djt n ASP 61 Ca 0.00 1.16 -0.35 0.00 -0.53 0.00 0.00 54.79 55.07 2djt n ASP 61 Cb 0.00 -1.18 -0.05 0.00 -0.64 0.00 0.00 41.12 39.24 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 1.21 4.38 -0.24 0.64 1.43 -1.26 -2.12 118.68 122.73 2djt s LEU 62 Ca 0.61 0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 54.10 2djt s LEU 62 Cb -0.78 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2djt s LEU 62 CO 0.58 0.33 0.05 -0.69 0.23 0.00 0.00 176.35 176.86 2djt s VAL 63 N -1.17 4.25 -0.21 -1.59 1.01 -1.03 -2.96 120.40 118.69 2djt s VAL 63 Ca 0.21 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.10 2djt s VAL 63 Cb -0.13 -2.97 -0.22 0.00 0.00 0.00 0.00 36.38 33.07 2djt s VAL 63 CO 0.11 0.36 -0.01 0.18 0.00 0.00 0.00 175.10 175.74 2djt n LEU 64 N 4.73 1.38 -4.08 3.92 4.77 -0.98 -4.72 117.00 122.02 2djt n LEU 64 Ca -0.16 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 2djt n LEU 64 Cb 0.51 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2djt n LEU 64 CO 0.31 0.69 0.14 -1.00 -1.33 0.00 0.00 177.39 176.20 2djt s HIS 65 N -2.51 0.99 -0.18 -1.77 3.76 -1.24 -4.13 115.29 110.20 2djt s HIS 65 Ca -0.21 -1.24 -0.09 0.00 -0.15 0.00 0.00 55.06 53.37 2djt s HIS 65 Cb 0.07 -0.06 0.06 0.00 1.11 0.00 0.00 32.58 33.77 2djt s HIS 65 CO 0.73 -1.11 0.43 0.42 -0.85 0.00 0.00 174.74 174.36 2djt s ILE 66 N -3.17 -0.11 -1.61 0.60 1.01 -0.89 -2.22 121.20 114.81 2djt s ILE 66 Ca 0.30 0.10 -0.14 0.00 0.00 0.00 0.00 60.65 60.91 2djt s ILE 66 Cb -0.00 -0.65 0.11 0.00 0.01 0.00 0.00 42.46 41.93 2djt s ILE 66 CO 0.19 0.04 0.76 0.59 0.00 0.00 0.00 174.94 176.51 2djt n ASN 67 N 4.42 -3.01 -1.78 3.58 3.02 0.35 0.55 115.26 122.40 2djt n ASN 67 Ca -0.21 -0.96 -0.17 0.00 -0.03 0.00 0.00 54.58 53.20 2djt n ASN 67 Cb 0.55 -3.05 -0.03 0.00 -0.61 0.00 0.00 39.78 36.63 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 -1.57 0.27 3.46 7.41 0.00 -1.26 -4.99 105.19 108.50 2djt n GLY 68 Ca -0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2djt n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2djt s GLU 69 N -4.45 1.72 -0.29 1.61 2.12 0.19 -5.10 118.70 114.50 2djt s GLU 69 Ca 0.00 -1.20 -0.25 0.00 0.36 0.00 0.00 54.97 53.88 2djt s GLU 69 Cb 0.00 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.32 2djt s GLU 69 CO 0.00 0.48 0.87 -1.12 -0.54 0.00 0.00 175.26 174.95 2djt s SER 70 N -2.06 6.78 -0.06 -1.70 0.01 -1.26 -2.10 113.70 113.31 2djt s SER 70 Ca 0.17 0.87 0.11 0.00 1.31 0.00 0.00 55.95 58.41 2djt s SER 70 Cb -0.10 -2.45 0.43 0.00 0.21 0.00 0.00 66.02 64.10 2djt s SER 70 CO 0.09 -0.65 1.29 1.07 0.41 0.00 0.00 173.24 175.44 2djt n THR 71 N 5.53 1.03 -0.17 1.44 5.66 -1.26 -4.32 114.28 122.19 2djt n THR 71 Ca 0.06 -0.69 0.18 0.00 -3.05 0.00 0.00 64.05 60.55 2djt n THR 71 Cb 0.48 0.01 0.54 0.00 -1.55 0.00 0.00 70.33 69.81 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 2.48 0.34 -0.53 1.09 3.07 -1.91 -2.39 115.11 117.26 2djt h GLN 72 Ca 0.00 -0.02 -0.38 0.00 0.09 0.00 0.00 58.65 58.34 2djt h GLN 72 Cb 0.92 -0.08 -0.38 0.00 0.08 0.00 0.00 27.48 28.02 2djt h GLN 72 CO 0.12 0.22 -0.91 0.41 0.09 0.00 0.00 178.83 178.77 2djt n GLY 73 N -1.54 4.44 3.25 0.06 0.00 -1.26 -5.04 105.19 105.10 2djt n GLY 73 Ca 0.15 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.44 2.39 0.81 0.99 1.43 -0.90 -5.08 118.68 114.88 2djt s LEU 74 Ca 0.41 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 2djt s LEU 74 Cb 0.38 -1.53 0.11 0.00 0.03 0.00 0.00 46.19 45.18 2djt s LEU 74 CO -0.01 0.10 1.14 0.42 0.23 0.00 0.00 176.35 178.23 2djt s THR 75 N 0.72 2.11 0.28 5.49 -4.23 -1.26 -4.63 115.64 114.12 2djt s THR 75 Ca -0.08 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2djt s THR 75 Cb -0.16 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.02 2djt s THR 75 CO 0.01 0.00 1.67 -0.74 -0.54 0.00 0.00 174.62 175.03 2djt h HIS 76 N -1.00 0.49 -0.08 3.99 2.76 -1.86 0.99 115.15 120.44 2djt h HIS 76 Ca -0.44 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 57.77 2djt h HIS 76 Cb 1.29 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 30.17 2djt h HIS 76 CO -0.15 -0.12 0.01 0.00 -1.30 0.00 0.00 177.93 176.37 2djt h ALA 77 N 1.72 0.10 0.55 5.26 0.00 -1.94 -2.42 119.26 122.53 2djt h ALA 77 Ca 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2djt h ALA 77 Cb 1.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2djt h ALA 77 CO -0.57 -0.24 -0.37 1.96 0.00 0.00 0.00 179.25 180.02 2djt h GLN 78 N -0.12 -0.84 -0.83 0.00 1.08 -1.39 0.20 115.11 113.21 2djt h GLN 78 Ca 0.02 0.06 0.20 0.00 -1.45 0.00 0.00 58.65 57.48 2djt h GLN 78 Cb 0.29 0.19 -0.15 0.00 -0.05 0.00 0.00 27.48 27.77 2djt h GLN 78 CO 0.00 -0.56 -0.01 0.00 -0.95 0.00 0.00 178.83 177.31 2djt h ALA 79 N -1.31 0.86 0.05 3.87 0.00 -0.97 0.73 119.26 122.48 2djt h ALA 79 Ca -0.07 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2djt h ALA 79 Cb 0.71 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2djt h ALA 79 CO 0.05 -0.45 -0.02 0.28 0.00 0.00 0.00 179.25 179.11 2djt h VAL 80 N 0.08 1.08 -0.90 0.00 2.07 -1.21 -2.92 116.25 114.44 2djt h VAL 80 Ca 0.46 -0.40 0.15 0.00 0.82 0.00 0.00 66.70 67.72 2djt h VAL 80 Cb 0.83 1.34 -0.09 0.00 -1.52 0.00 0.00 31.29 31.85 2djt h VAL 80 CO -0.75 0.10 0.50 -0.08 0.02 0.00 0.00 177.57 177.37 2djt h GLU 81 N -0.24 0.70 -0.72 1.57 4.81 0.13 -0.43 114.58 120.39 2djt h GLU 81 Ca -0.01 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2djt h GLU 81 Cb 0.22 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 2djt h GLU 81 CO 0.01 0.46 0.42 0.00 -0.73 0.00 0.00 179.01 179.17 2djt h ARG 82 N 0.72 0.73 0.42 1.92 2.47 -0.77 0.14 114.38 120.01 2djt h ARG 82 Ca 0.49 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.14 2djt h ARG 82 Cb 0.66 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2djt h ARG 82 CO -0.34 0.49 -0.20 0.82 0.56 0.00 0.00 179.97 181.29 2djt h ILE 83 N 0.76 0.54 -0.13 2.04 2.04 -0.95 0.27 117.51 122.08 2djt h ILE 83 Ca 0.32 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.83 2djt h ILE 83 Cb 0.20 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2djt h ILE 83 CO -0.19 0.07 -0.15 0.03 0.00 0.00 0.00 178.15 177.91 2djt h ARG 84 N -0.82 -0.18 -0.10 2.37 2.47 -1.13 -1.50 114.38 115.49 2djt h ARG 84 Ca -0.06 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 2djt h ARG 84 Cb 0.55 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 2djt h ARG 84 CO 0.10 -0.12 -0.20 0.00 0.56 0.00 0.00 179.97 180.31 2djt h ALA 85 N 0.86 1.49 -0.90 0.04 0.00 -0.76 -3.12 119.26 116.87 2djt h ALA 85 Ca 0.09 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.00 2djt h ALA 85 Cb 0.33 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 17.88 2djt h ALA 85 CO -0.24 0.37 -0.03 0.41 0.00 0.00 0.00 179.25 179.75 2djt n GLY 86 N -0.78 -1.29 0.00 0.00 0.00 0.95 -4.55 105.19 99.52 2djt n GLY 86 Ca -0.01 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.91 2djt n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djt n GLY 87 N -1.48 0.79 0.27 -0.02 0.00 -1.18 -0.82 105.19 102.74 2djt n GLY 87 Ca 0.20 -1.90 0.17 0.00 0.00 0.00 0.00 46.02 44.49 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 -5.60 1.61 0.13 -1.91 -3.43 132.00 122.81 2djt h PRO 88 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 2djt h PRO 88 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2djt h PRO 88 CO 0.00 0.00 -0.67 -0.65 -0.23 0.00 0.00 178.00 176.45 2djt s GLN 89 N -3.67 3.34 -0.20 0.86 -0.21 -1.26 -3.18 119.66 115.33 2djt s GLN 89 Ca 0.01 -0.52 -0.10 0.00 0.02 0.00 0.00 55.36 54.78 2djt s GLN 89 Cb 0.09 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.25 2djt s GLN 89 CO 0.53 0.41 0.12 -1.17 -2.12 0.00 0.00 175.29 173.05 2djt s LEU 90 N -0.09 4.11 -0.15 2.90 0.20 -0.89 -4.88 118.68 119.88 2djt s LEU 90 Ca 0.02 0.18 -0.00 0.00 0.69 0.00 0.00 54.13 55.01 2djt s LEU 90 Cb -0.13 -2.06 0.03 0.00 -0.43 0.00 0.00 46.19 43.60 2djt s LEU 90 CO 0.03 0.16 -0.08 -2.28 -0.29 0.00 0.00 176.35 173.88 2djt s HIS 91 N 0.48 1.77 0.03 5.38 2.46 -1.25 -2.93 115.29 121.24 2djt s HIS 91 Ca 0.07 -1.03 0.03 0.00 0.47 0.00 0.00 55.06 54.59 2djt s HIS 91 Cb -0.12 -1.37 -0.02 0.00 -0.13 0.00 0.00 32.58 30.95 2djt s HIS 91 CO -0.01 -0.60 -0.09 -0.51 -2.47 0.00 0.00 174.74 171.06 2djt s LEU 92 N 1.61 2.17 -0.34 8.88 1.43 -1.16 -0.49 118.68 130.78 2djt s LEU 92 Ca 0.03 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 2djt s LEU 92 Cb -0.14 -0.34 0.01 0.00 0.03 0.00 0.00 46.19 45.75 2djt s LEU 92 CO -0.08 -0.06 0.19 -0.69 0.23 0.00 0.00 176.35 175.94 2djt s VAL 93 N -0.88 4.71 0.13 -1.59 1.01 -0.94 -0.15 120.40 122.69 2djt s VAL 93 Ca -0.03 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.46 2djt s VAL 93 Cb -0.07 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2djt s VAL 93 CO 0.01 -0.08 -0.17 -0.63 0.00 0.00 0.00 175.10 174.23 2djt s ILE 94 N 1.61 2.90 -0.23 2.22 -1.09 -0.42 -2.33 121.20 123.86 2djt s ILE 94 Ca 0.04 -1.56 -0.04 0.00 -2.23 0.00 0.00 60.65 56.86 2djt s ILE 94 Cb -0.18 -2.36 0.08 0.00 -1.58 0.00 0.00 42.46 38.42 2djt s ILE 94 CO 0.07 0.04 0.09 -0.60 -1.23 0.00 0.00 174.94 173.32 2djt s ARG 95 N -2.32 0.30 -0.51 2.79 3.52 -1.15 -1.57 118.95 120.01 2djt s ARG 95 Ca 0.20 -0.41 -0.33 0.00 -0.13 0.00 0.00 55.73 55.05 2djt s ARG 95 Cb -0.10 -1.70 -0.13 0.00 -1.56 0.00 0.00 34.95 31.46 2djt s ARG 95 CO 0.11 -0.81 2.33 -2.13 -0.81 0.00 0.00 175.30 173.99 2djt n ARG 96 N 5.17 0.77 -1.03 5.12 0.63 -1.26 -4.40 116.66 121.65 2djt n ARG 96 Ca -0.07 0.16 -0.30 0.00 -0.92 0.00 0.00 57.85 56.72 2djt n ARG 96 Cb 0.46 -2.37 0.25 0.00 0.45 0.00 0.00 32.46 31.25 2djt n ARG 96 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2djt n PRO 97 N 8.35 -3.16 -1.74 -0.14 -0.04 -1.26 -5.02 135.00 131.98 2djt n PRO 97 Ca 0.46 -1.74 -0.32 0.00 -0.04 0.00 0.00 63.50 61.86 2djt n PRO 97 Cb 0.22 -1.64 0.04 0.00 -0.04 0.00 0.00 33.50 32.09 2djt n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2djt s LEU 98 N 0.00 3.30 -0.01 1.53 2.01 -1.26 -5.07 118.68 119.18 2djt s LEU 98 Ca 0.71 1.78 0.03 0.00 0.01 0.00 0.00 54.13 56.66 2djt s LEU 98 Cb -0.07 -4.52 -0.00 0.00 0.01 0.00 0.00 46.19 41.60 2djt s LEU 98 CO 0.54 -1.44 -0.10 -0.55 1.01 0.00 0.00 176.35 175.81 2djt s SER 99 N -3.16 1.18 0.06 2.29 0.15 -1.26 -5.15 113.70 107.80 2djt s SER 99 Ca 0.62 -0.18 0.08 0.00 0.70 0.00 0.00 55.95 57.16 2djt s SER 99 Cb -0.16 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2djt s SER 99 CO 0.46 0.11 -0.19 -0.83 1.20 0.00 0.00 173.24 173.98 2djt s GLY 100 N -0.11 1.58 0.00 9.45 0.00 -1.26 -5.00 107.32 111.97 2djt s GLY 100 Ca 0.02 -1.24 0.15 0.00 0.00 0.00 0.00 44.72 43.65 2djt s GLY 100 CO -0.00 -1.15 1.43 -1.55 0.00 0.00 0.00 173.10 171.83 2djt n PRO 101 N 1.41 0.13 -2.53 2.90 -0.04 -1.26 -4.77 135.00 130.84 2djt n PRO 101 Ca -0.16 0.19 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 2djt n PRO 101 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2djt n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2djt s SER 102 N -2.74 7.18 -0.41 3.54 1.04 -1.26 -5.02 113.70 116.03 2djt s SER 102 Ca 0.11 2.17 0.03 0.00 0.48 0.00 0.00 55.95 58.75 2djt s SER 102 Cb 0.10 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.71 2djt s SER 102 CO 0.24 -0.20 0.14 -0.44 0.98 0.00 0.00 173.24 173.96 2djt s SER 103 N -1.09 4.69 0.00 7.02 0.01 -1.26 -5.22 113.70 117.85 2djt s SER 103 Ca 0.48 -2.43 0.00 0.00 1.31 0.00 0.00 55.95 55.31 2djt s SER 103 Cb -0.29 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2djt s SER 103 CO 0.36 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.28