#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 4.26 0.56 1.61 0.15 -1.26 -5.09 113.70 113.93 2djt s SER 2 Ca 0.00 -0.17 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 2djt s SER 2 Cb 0.00 -0.94 -0.15 0.00 -1.71 0.00 0.00 66.02 63.22 2djt s SER 2 CO 0.00 0.33 -0.17 -0.24 1.20 0.00 0.00 173.24 174.36 2djt n SER 3 N 2.08 -3.80 -2.95 5.45 2.88 -1.26 -3.90 113.62 112.12 2djt n SER 3 Ca -0.17 0.61 -0.12 0.00 -1.33 0.00 0.00 58.87 57.86 2djt n SER 3 Cb 0.52 -0.85 0.01 0.00 -0.75 0.00 0.00 64.21 63.14 2djt n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djt n GLY 4 N 2.58 -1.10 3.92 0.46 0.00 -1.26 -5.01 105.19 104.78 2djt n GLY 4 Ca 0.07 1.24 -0.28 0.00 0.00 0.00 0.00 46.02 47.04 2djt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djt s SER 5 N -2.46 6.40 -0.40 1.61 1.04 -1.25 -5.03 113.70 113.61 2djt s SER 5 Ca 0.26 0.41 -0.28 0.00 0.48 0.00 0.00 55.95 56.82 2djt s SER 5 Cb -0.06 -2.01 -0.01 0.00 0.10 0.00 0.00 66.02 64.03 2djt s SER 5 CO 0.79 -0.00 1.72 -0.44 0.98 0.00 0.00 173.24 176.28 2djt s SER 6 N -2.98 5.88 0.00 7.02 0.01 -1.26 -4.01 113.70 118.36 2djt s SER 6 Ca 0.38 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2djt s SER 6 Cb -0.11 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2djt s SER 6 CO 0.28 -1.77 0.00 0.61 0.41 0.00 0.00 173.24 172.77 2djt n GLY 7 N 5.39 -0.31 2.67 3.44 0.00 -1.26 -5.13 105.19 109.98 2djt n GLY 7 Ca 0.21 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 2djt n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2djt n GLN 8 N 0.00 0.00 -3.51 1.61 -0.06 -1.26 -4.94 117.38 109.22 2djt n GLN 8 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 2djt n GLN 8 Cb 0.00 -1.00 -0.02 0.00 -4.06 0.00 0.00 30.24 25.16 2djt n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2djt s ALA 9 N -0.31 -1.74 -0.37 1.69 0.00 -1.26 -5.13 121.76 114.63 2djt s ALA 9 Ca 0.62 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 2djt s ALA 9 Cb -0.87 0.56 0.08 0.00 0.00 0.00 0.00 23.12 22.89 2djt s ALA 9 CO 0.44 -0.74 0.15 -1.54 0.00 0.00 0.00 175.76 174.06 2djt s SER 10 N -2.60 5.22 0.00 0.00 1.04 -1.26 -4.85 113.70 111.25 2djt s SER 10 Ca 0.05 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 54.80 2djt s SER 10 Cb -0.01 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2djt s SER 10 CO -0.09 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2djt n GLY 11 N 4.67 0.46 3.51 7.32 0.00 -1.26 -5.08 105.19 114.81 2djt n GLY 11 Ca -0.07 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 3.13 0.60 1.61 0.00 -1.26 -4.68 115.29 114.69 2djt s HIS 12 Ca 0.00 -0.24 0.05 0.00 -3.00 0.00 0.00 55.06 51.88 2djt s HIS 12 Cb 0.00 -2.17 0.09 0.00 -4.00 0.00 0.00 32.58 26.49 2djt s HIS 12 CO 0.00 -0.17 0.83 -0.59 -1.00 0.00 0.00 174.74 173.81 2djt s PHE 13 N 1.15 1.78 0.24 0.38 -0.12 -0.91 -4.92 117.98 115.57 2djt s PHE 13 Ca 0.04 -0.46 0.10 0.00 -0.05 0.00 0.00 56.93 56.56 2djt s PHE 13 Cb -0.14 -2.55 -0.04 0.00 -0.63 0.00 0.00 43.02 39.65 2djt s PHE 13 CO 0.03 -1.23 -0.10 -1.54 -0.05 0.00 0.00 175.22 172.33 2djt s SER 14 N -4.63 4.11 -0.17 1.98 1.04 -1.26 -1.99 113.70 112.79 2djt s SER 14 Ca 0.62 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.32 2djt s SER 14 Cb -0.07 -0.61 0.02 0.00 0.10 0.00 0.00 66.02 65.46 2djt s SER 14 CO 0.40 0.05 -0.19 -0.69 0.98 0.00 0.00 173.24 173.80 2djt s VAL 15 N -2.11 1.94 -0.23 5.02 1.01 0.12 -4.91 120.40 121.23 2djt s VAL 15 Ca 0.28 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2djt s VAL 15 Cb -0.07 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2djt s VAL 15 CO 0.16 0.52 -0.00 -1.61 0.00 0.00 0.00 175.10 174.17 2djt s GLU 16 N 1.30 3.47 0.22 2.72 2.02 -1.26 -2.88 118.70 124.29 2djt s GLU 16 Ca 0.04 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.47 2djt s GLU 16 Cb -0.13 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 2djt s GLU 16 CO -0.12 -0.19 0.06 -0.51 0.02 0.00 0.00 175.26 174.52 2djt s LEU 17 N 1.52 1.78 -0.18 1.80 1.43 -1.21 -5.01 118.68 118.80 2djt s LEU 17 Ca 0.06 -1.30 0.01 0.00 -1.03 0.00 0.00 54.13 51.87 2djt s LEU 17 Cb -0.15 0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.13 2djt s LEU 17 CO -0.01 -0.68 -0.14 -0.69 0.23 0.00 0.00 176.35 175.06 2djt s VAL 18 N -3.76 1.76 -0.45 -1.59 1.01 -1.26 -2.78 120.40 113.33 2djt s VAL 18 Ca 0.32 -0.89 -0.45 0.00 0.00 0.00 0.00 61.98 60.96 2djt s VAL 18 Cb 0.07 -1.70 -0.19 0.00 0.00 0.00 0.00 36.38 34.56 2djt s VAL 18 CO 0.10 0.36 1.71 -1.14 0.00 0.00 0.00 175.10 176.12 2djt n ARG 19 N 4.68 0.28 0.00 2.72 0.63 -1.00 -4.84 116.66 119.13 2djt n ARG 19 Ca -0.17 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2djt n ARG 19 Cb 0.48 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.73 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 4.51 1.44 0.31 5.14 0.00 -1.05 -4.97 105.19 110.57 2djt n GLY 20 Ca 0.33 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 2djt n GLY 20 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2djt h TYR 21 N 0.00 -0.79 -3.31 1.61 3.20 -1.97 -3.39 116.97 112.32 2djt h TYR 21 Ca 0.00 0.03 -0.53 0.00 3.14 0.00 0.00 58.73 61.38 2djt h TYR 21 Cb 0.00 0.36 -0.40 0.00 1.54 0.00 0.00 36.73 38.23 2djt h TYR 21 CO 0.00 -0.38 -0.77 0.00 -1.64 0.00 0.00 178.16 175.38 2djt s ALA 22 N -6.03 1.11 0.00 1.82 0.00 -1.26 -5.10 121.76 112.30 2djt s ALA 22 Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2djt s ALA 22 Cb 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2djt s ALA 22 CO 0.66 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2djt n GLY 23 N 5.01 1.28 0.13 0.00 0.00 -1.26 -3.91 105.19 106.43 2djt n GLY 23 Ca -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 3.47 0.00 -1.65 1.61 3.01 -1.26 -2.54 117.46 120.09 2djt n PHE 24 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 2djt n PHE 24 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 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 0.26 1.20 3.68 1.37 0.00 -1.25 -4.13 105.19 106.31 2djt n GLY 25 Ca 0.02 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.86 4.14 0.05 0.99 2.96 -1.26 -0.80 118.68 120.90 2djt s LEU 26 Ca 0.00 0.16 0.09 0.00 -0.22 0.00 0.00 54.13 54.16 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 0.09 -0.26 -0.89 -1.32 0.00 0.00 176.35 173.97 2djt s THR 27 N 0.89 2.18 -0.18 3.68 2.01 -1.13 -5.05 115.64 118.05 2djt s THR 27 Ca 0.08 -1.40 -0.02 0.00 0.31 0.00 0.00 61.69 60.66 2djt s THR 27 Cb -0.13 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 2djt s THR 27 CO 0.03 0.35 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.46 2djt s LEU 28 N -1.29 2.77 -0.16 4.42 1.43 -1.26 -1.04 118.68 123.56 2djt s LEU 28 Ca 0.12 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2djt s LEU 28 Cb -0.10 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2djt s LEU 28 CO 0.02 0.06 -0.02 -0.83 0.23 0.00 0.00 176.35 175.81 2djt s GLY 29 N 1.01 1.76 0.00 -3.19 0.00 -1.11 -4.83 107.32 100.95 2djt s GLY 29 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2djt s GLY 29 CO -0.01 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.64 2djt n GLY 30 N 3.50 0.79 6.27 0.20 0.00 -1.26 -3.94 105.19 110.75 2djt n GLY 30 Ca -0.17 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.19 3.54 -0.02 0.00 -0.86 -4.68 105.19 103.37 2djt n GLY 31 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 3.36 0.23 1.61 3.52 -1.26 0.19 118.95 126.61 2djt s ARG 32 Ca 0.00 -0.11 0.10 0.00 -0.13 0.00 0.00 55.73 55.58 2djt s ARG 32 Cb 0.00 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 2djt s ARG 32 CO 0.00 -1.68 -0.17 0.34 -0.81 0.00 0.00 175.30 172.98 2djt s ASP 33 N 3.08 3.01 0.48 -2.12 2.15 -1.02 -4.90 116.67 117.35 2djt s ASP 33 Ca 0.35 -1.01 0.24 0.00 0.43 0.00 0.00 52.55 52.56 2djt s ASP 33 Cb -0.10 -0.21 1.21 0.00 -0.30 0.00 0.00 42.92 43.52 2djt s ASP 33 CO 0.20 -0.07 1.97 1.62 -0.17 0.00 0.00 175.17 178.73 2djt h VAL 34 N 2.50 0.66 -0.18 1.11 3.04 -2.00 -1.87 116.25 119.52 2djt h VAL 34 Ca -0.39 -0.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 2djt h VAL 34 Cb 1.24 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 32.02 2djt h VAL 34 CO 0.60 0.18 0.00 0.00 -1.01 0.00 0.00 177.57 177.34 2djt n ALA 35 N -2.29 2.57 0.00 3.17 0.00 -1.26 -4.95 120.51 117.74 2djt n ALA 35 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2djt n ALA 35 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.64 3.83 3.49 0.00 0.00 -0.70 -5.02 105.19 107.42 2djt n GLY 36 Ca 0.07 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 2djt n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2djt s ASP 37 N 0.00 6.28 0.02 1.61 1.47 -1.26 -2.42 116.67 122.37 2djt s ASP 37 Ca 0.00 -0.62 -0.00 0.00 1.18 0.00 0.00 52.55 53.11 2djt s ASP 37 Cb 0.00 -2.38 -0.04 0.00 -0.34 0.00 0.00 42.92 40.16 2djt s ASP 37 CO 0.00 -1.13 0.13 0.42 0.68 0.00 0.00 175.17 175.27 2djt s THR 38 N 3.50 5.02 -0.14 2.11 -4.23 0.13 -4.98 115.64 117.04 2djt s THR 38 Ca 0.24 -0.40 -0.29 0.00 -1.18 0.00 0.00 61.69 60.06 2djt s THR 38 Cb -0.15 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 2djt s THR 38 CO 0.16 0.27 1.56 -2.16 -0.54 0.00 0.00 174.62 173.90 2djt s PRO 39 N -2.04 4.05 0.34 3.99 0.04 -1.26 -2.02 135.00 138.08 2djt s PRO 39 Ca 0.27 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 2djt s PRO 39 Cb -0.12 -3.96 -0.12 0.00 0.04 0.00 0.00 34.50 30.33 2djt s PRO 39 CO 0.19 -0.98 1.21 1.28 0.04 0.00 0.00 177.00 178.74 2djt n LEU 40 N 7.51 3.14 -3.61 -3.56 4.77 -1.26 -4.41 117.00 119.58 2djt n LEU 40 Ca 0.17 1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 57.22 2djt n LEU 40 Cb 0.44 -1.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.03 2djt n LEU 40 CO 0.62 -0.74 0.62 0.00 -1.33 0.00 0.00 177.39 176.57 2djt s ALA 41 N -1.10 -1.89 -0.35 -1.18 0.00 -1.25 -3.46 121.76 112.53 2djt s ALA 41 Ca 0.57 1.79 -0.43 0.00 0.00 0.00 0.00 51.96 53.89 2djt s ALA 41 Cb -0.60 -1.05 -0.17 0.00 0.00 0.00 0.00 23.12 21.30 2djt s ALA 41 CO 0.61 -0.29 1.66 0.28 0.00 0.00 0.00 175.76 178.02 2djt n VAL 42 N 1.89 0.17 -0.01 0.00 0.31 -0.92 -2.77 118.33 117.00 2djt n VAL 42 Ca -0.13 -0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 2djt n VAL 42 Cb 0.56 -0.91 -0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 4.69 0.08 -4.44 5.55 3.00 -0.20 -1.94 116.66 123.39 2djt n ARG 43 Ca 0.28 0.21 -0.26 0.00 -0.00 0.00 0.00 57.85 58.08 2djt n ARG 43 Cb 0.06 -0.82 -0.11 0.00 0.00 0.00 0.00 32.46 31.59 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 -2.94 1.78 -0.30 5.14 0.00 -1.23 -4.75 107.32 105.01 2djt s GLY 44 Ca -0.03 -1.73 0.02 0.00 0.00 0.00 0.00 44.72 42.98 2djt s GLY 44 CO 0.04 -1.78 0.03 1.08 0.00 0.00 0.00 173.10 172.47 2djt s LEU 45 N -3.00 3.51 -0.29 0.66 1.43 -1.26 -2.86 118.68 116.87 2djt s LEU 45 Ca 0.24 -1.75 -0.39 0.00 -1.03 0.00 0.00 54.13 51.21 2djt s LEU 45 Cb -0.07 -1.32 -0.15 0.00 0.03 0.00 0.00 46.19 44.68 2djt s LEU 45 CO 0.12 -0.34 1.84 -0.11 0.23 0.00 0.00 176.35 178.08 2djt n LEU 46 N 4.52 2.34 -4.56 1.79 7.94 0.02 -4.88 117.00 124.16 2djt n LEU 46 Ca -0.02 0.96 -0.34 0.00 -1.11 0.00 0.00 56.01 55.49 2djt n LEU 46 Cb 0.42 -1.16 0.11 0.00 0.53 0.00 0.00 43.42 43.33 2djt n LEU 46 CO 0.18 -0.46 0.37 1.17 -1.11 0.00 0.00 177.39 177.54 2djt n LYS 47 N 5.97 0.09 -2.36 1.96 3.00 -1.26 -2.28 118.16 123.29 2djt n LYS 47 Ca 0.30 0.09 -0.15 0.00 -0.00 0.00 0.00 58.31 58.55 2djt n LYS 47 Cb 0.14 -2.13 -0.01 0.00 0.00 0.00 0.00 35.03 33.03 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 -2.00 -4.46 -4.90 3.14 8.00 -1.26 -4.95 116.55 110.13 2djt n ASP 48 Ca 0.11 0.15 -0.20 0.00 0.71 0.00 0.00 54.79 55.56 2djt n ASP 48 Cb 0.51 -3.78 -0.03 0.00 -0.02 0.00 0.00 41.12 37.81 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 -2.05 1.71 0.51 0.44 0.00 -0.97 -4.99 107.32 101.98 2djt s GLY 49 Ca 0.00 -1.59 0.30 0.00 0.00 0.00 0.00 44.72 43.43 2djt s GLY 49 CO 0.00 -1.51 1.95 -0.56 0.00 0.00 0.00 173.10 172.98 2djt h PRO 50 N 1.13 0.00 0.04 2.90 0.13 -1.87 -1.05 132.00 133.29 2djt h PRO 50 Ca -0.45 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 2djt h PRO 50 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2djt h PRO 50 CO 0.57 0.09 -0.83 0.00 -0.23 0.00 0.00 178.00 177.59 2djt h ALA 51 N 1.91 0.12 -0.35 -0.56 0.00 -1.90 -3.13 119.26 115.35 2djt h ALA 51 Ca -0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 54.91 53.90 2djt h ALA 51 Cb 0.56 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2djt h ALA 51 CO 0.01 0.47 -0.28 0.37 0.00 0.00 0.00 179.25 179.82 2djt h GLN 52 N -0.76 0.72 0.00 0.00 5.75 -1.80 -2.82 115.11 116.21 2djt h GLN 52 Ca -0.20 -0.31 -0.07 0.00 -0.15 0.00 0.00 58.65 57.91 2djt h GLN 52 Cb 1.35 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.87 2djt h GLN 52 CO -0.03 0.91 -0.36 0.00 -2.65 0.00 0.00 178.83 176.70 2djt h ARG 53 N 0.62 0.00 -0.34 1.69 3.08 -1.35 -2.72 114.38 115.37 2djt h ARG 53 Ca 0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2djt h ARG 53 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 2djt h ARG 53 CO 0.06 0.36 -0.01 0.00 -1.07 0.00 0.00 179.97 179.31 2djt n GLY 55 N -0.85 0.62 0.06 0.00 0.00 -1.03 -4.84 105.19 99.17 2djt n GLY 55 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.07 0.64 -3.81 1.61 1.74 -1.26 -4.83 116.66 108.68 2djt n ARG 56 Ca 0.00 -0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.68 2djt n ARG 56 Cb 0.04 -1.67 -0.13 0.00 -1.02 0.00 0.00 32.46 29.69 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 -4.98 3.58 0.46 0.55 1.43 -1.26 -5.09 118.68 113.37 2djt s LEU 57 Ca -0.05 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.45 2djt s LEU 57 Cb 0.12 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 2djt s LEU 57 CO 0.85 -0.14 0.01 -1.61 0.23 0.00 0.00 176.35 175.69 2djt s GLU 58 N 1.48 2.08 -0.23 1.70 2.02 -1.26 -4.71 118.70 119.78 2djt s GLU 58 Ca 0.03 -2.27 -0.27 0.00 0.02 0.00 0.00 54.97 52.48 2djt s GLU 58 Cb -0.16 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.55 2djt s GLU 58 CO 0.01 -0.24 0.96 0.08 0.02 0.00 0.00 175.26 176.09 2djt s VAL 59 N -2.84 4.74 0.00 2.63 1.01 -1.26 -3.51 120.40 121.17 2djt s VAL 59 Ca 0.18 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2djt s VAL 59 Cb 0.05 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2djt s VAL 59 CO 0.09 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2djt n GLY 60 N 3.47 1.15 3.71 4.51 0.00 -0.82 -5.03 105.19 112.18 2djt n GLY 60 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2djt n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2djt s ASP 61 N -1.77 7.38 -0.03 1.61 1.11 -1.23 -4.88 116.67 118.86 2djt s ASP 61 Ca 0.00 1.67 -0.23 0.00 0.18 0.00 0.00 52.55 54.16 2djt s ASP 61 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2djt s ASP 61 CO 0.00 -0.25 0.69 -0.76 1.18 0.00 0.00 175.17 176.03 2djt s LEU 62 N 0.97 4.36 -0.17 1.23 1.43 -1.25 -2.17 118.68 123.07 2djt s LEU 62 Ca 0.52 1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 54.66 2djt s LEU 62 Cb -0.21 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 2djt s LEU 62 CO 0.28 -0.05 0.51 -0.69 0.23 0.00 0.00 176.35 176.63 2djt s VAL 63 N 0.46 5.13 -0.23 -1.59 1.01 -1.22 -1.83 120.40 122.11 2djt s VAL 63 Ca 0.36 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 2djt s VAL 63 Cb -0.18 -3.84 -0.18 0.00 0.00 0.00 0.00 36.38 32.18 2djt s VAL 63 CO 0.19 0.22 -0.11 0.18 0.00 0.00 0.00 175.10 175.58 2djt n LEU 64 N 4.45 2.68 0.00 3.92 7.99 -0.38 -4.93 117.00 130.73 2djt n LEU 64 Ca -0.05 0.04 -0.14 0.00 -0.01 0.00 0.00 56.01 55.85 2djt n LEU 64 Cb 0.51 -0.94 -0.03 0.00 -0.11 0.00 0.00 43.42 42.85 2djt n LEU 64 CO 0.42 0.83 0.19 1.41 -1.51 0.00 0.00 177.39 178.73 2djt n HIS 65 N -3.53 -1.49 -3.66 -1.77 8.25 -1.16 -4.21 115.22 107.64 2djt n HIS 65 Ca -0.44 -2.31 -0.07 0.00 -0.26 0.00 0.00 57.72 54.64 2djt n HIS 65 Cb 0.97 0.57 -0.08 0.00 1.12 0.00 0.00 29.99 32.56 2djt n HIS 65 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2djt s ILE 66 N -2.78 -0.65 -1.50 1.59 1.01 -0.64 -1.47 121.20 116.77 2djt s ILE 66 Ca 0.28 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 2djt s ILE 66 Cb -0.01 -0.74 0.07 0.00 0.01 0.00 0.00 42.46 41.79 2djt s ILE 66 CO 0.20 0.05 0.93 0.59 0.00 0.00 0.00 174.94 176.71 2djt n ASN 67 N 5.28 -4.11 -0.08 3.58 3.02 0.29 0.15 115.26 123.40 2djt n ASN 67 Ca -0.11 -0.79 -0.01 0.00 -0.03 0.00 0.00 54.58 53.64 2djt n ASN 67 Cb 0.50 -3.88 -0.00 0.00 -0.61 0.00 0.00 39.78 35.78 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 -1.68 0.29 3.79 7.41 0.00 -1.26 -4.98 105.19 108.76 2djt n GLY 68 Ca -0.02 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.37 3.36 -0.49 1.61 0.41 0.12 -5.06 118.70 117.29 2djt s GLU 69 Ca 0.00 -0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 54.03 2djt s GLU 69 Cb 0.00 -3.07 0.03 0.00 -1.78 0.00 0.00 34.13 29.31 2djt s GLU 69 CO 0.00 0.69 1.19 -1.12 -0.49 0.00 0.00 175.26 175.53 2djt s SER 70 N -0.81 6.55 0.00 -0.19 0.01 -1.26 -1.62 113.70 116.37 2djt s SER 70 Ca 0.13 0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.92 2djt s SER 70 Cb -0.12 -2.55 0.49 0.00 0.21 0.00 0.00 66.02 64.06 2djt s SER 70 CO 0.03 -1.33 1.32 1.07 0.41 0.00 0.00 173.24 174.74 2djt n THR 71 N 6.86 0.01 0.30 1.44 5.66 -1.26 -3.85 114.28 123.44 2djt n THR 71 Ca 0.12 -0.01 0.18 0.00 -3.05 0.00 0.00 64.05 61.28 2djt n THR 71 Cb 0.49 -0.11 0.94 0.00 -1.55 0.00 0.00 70.33 70.09 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 0.07 0.00 0.00 1.09 4.15 -1.89 -1.51 115.11 117.02 2djt h GLN 72 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 2djt h GLN 72 Cb 0.02 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.58 2djt h GLN 72 CO 0.00 0.00 -0.57 0.41 -1.93 0.00 0.00 178.83 176.74 2djt n GLY 73 N -1.17 2.45 3.22 2.39 0.00 -1.25 -5.04 105.19 105.79 2djt n GLY 73 Ca -0.02 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.22 2.42 1.12 0.99 1.43 -0.57 -5.04 118.68 117.82 2djt s LEU 74 Ca 0.24 -0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 2djt s LEU 74 Cb 0.25 -1.56 0.27 0.00 0.03 0.00 0.00 46.19 45.18 2djt s LEU 74 CO -0.06 0.04 1.24 0.42 0.23 0.00 0.00 176.35 178.22 2djt s THR 75 N 1.06 1.75 0.61 5.49 -4.23 -1.26 -4.45 115.64 114.61 2djt s THR 75 Ca -0.01 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.82 2djt s THR 75 Cb -0.15 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 71.31 2djt s THR 75 CO -0.04 0.00 2.15 -0.74 -0.54 0.00 0.00 174.62 175.45 2djt h HIS 76 N -2.26 0.00 0.12 3.99 2.76 -1.93 0.68 115.15 118.52 2djt h HIS 76 Ca -0.43 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.39 2djt h HIS 76 Cb 1.25 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 2djt h HIS 76 CO -2.14 0.00 -1.84 0.00 -1.30 0.00 0.00 177.93 172.65 2djt h ALA 77 N 1.80 0.39 0.23 5.26 0.00 -1.99 -3.30 119.26 121.64 2djt h ALA 77 Ca 0.05 -1.30 -0.01 0.00 0.00 0.00 0.00 54.91 53.65 2djt h ALA 77 Cb 0.34 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2djt h ALA 77 CO -0.00 1.25 -0.11 1.96 0.00 0.00 0.00 179.25 182.35 2djt h GLN 78 N 0.07 -0.29 -0.71 0.00 4.20 -1.58 -1.82 115.11 114.98 2djt h GLN 78 Ca -0.36 0.02 0.21 0.00 0.06 0.00 0.00 58.65 58.57 2djt h GLN 78 Cb 2.05 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.87 2djt h GLN 78 CO 0.12 0.07 0.53 0.00 -0.67 0.00 0.00 178.83 178.88 2djt h ALA 79 N -0.13 2.65 0.14 3.87 0.00 -1.11 0.13 119.26 124.80 2djt h ALA 79 Ca -0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 2djt h ALA 79 Cb 0.50 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2djt h ALA 79 CO 0.05 -0.90 -1.26 0.28 0.00 0.00 0.00 179.25 177.43 2djt h VAL 80 N 0.00 1.47 0.00 0.00 2.07 -1.61 -3.24 116.25 114.93 2djt h VAL 80 Ca 0.34 -2.99 -0.02 0.00 0.82 0.00 0.00 66.70 64.85 2djt h VAL 80 Cb 1.40 2.93 -0.00 0.00 -1.52 0.00 0.00 31.29 34.10 2djt h VAL 80 CO -0.00 0.88 -0.09 -0.08 0.02 0.00 0.00 177.57 178.30 2djt h GLU 81 N 0.09 0.00 -0.01 1.57 4.57 0.13 -1.43 114.58 119.51 2djt h GLU 81 Ca -0.15 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.81 2djt h GLU 81 Cb 1.98 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 2djt h GLU 81 CO 0.21 0.09 -0.93 0.00 -1.18 0.00 0.00 179.01 177.20 2djt h ARG 82 N 0.00 0.45 0.00 1.92 2.47 -1.48 -2.83 114.38 114.92 2djt h ARG 82 Ca -0.00 -0.47 -0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2djt h ARG 82 Cb 0.19 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2djt h ARG 82 CO 0.01 1.12 -0.00 0.82 0.56 0.00 0.00 179.97 182.48 2djt h ILE 83 N 0.26 1.47 -0.91 2.04 2.04 -1.41 -1.59 117.51 119.42 2djt h ILE 83 Ca -0.08 -1.42 0.09 0.00 1.00 0.00 0.00 64.86 64.45 2djt h ILE 83 Cb 1.56 2.43 -0.07 0.00 -0.74 0.00 0.00 36.82 40.01 2djt h ILE 83 CO 0.16 0.37 0.55 0.08 0.00 0.00 0.00 178.15 179.31 2djt h ARG 84 N -0.61 0.91 -0.01 2.37 0.11 -1.39 0.17 114.38 115.93 2djt h ARG 84 Ca -0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2djt h ARG 84 Cb 0.60 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2djt h ARG 84 CO 0.00 0.60 0.00 0.00 0.10 0.00 0.00 179.97 180.67 2djt n ALA 85 N -2.36 2.63 0.27 0.08 0.00 -1.07 -3.83 120.51 116.23 2djt n ALA 85 Ca 0.15 -0.33 0.13 0.00 0.00 0.00 0.00 53.44 53.40 2djt n ALA 85 Cb 0.26 -1.33 0.74 0.00 0.00 0.00 0.00 19.45 19.13 2djt n ALA 85 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2djt h GLY 86 N 4.94 0.00 0.00 0.00 0.00 0.41 -3.49 103.07 104.92 2djt h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2djt h GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2djt n GLY 87 N -0.69 -1.41 0.28 4.60 0.00 -1.25 -4.43 105.19 102.29 2djt n GLY 87 Ca -0.02 -2.00 0.18 0.00 0.00 0.00 0.00 46.02 44.18 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 -5.32 1.61 0.13 -1.94 -3.42 132.00 123.06 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 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 2djt h PRO 88 CO 0.00 0.00 -0.69 -0.65 -0.23 0.00 0.00 178.00 176.43 2djt s GLN 89 N -3.69 3.60 -0.01 0.86 1.11 -1.26 -2.38 119.66 117.89 2djt s GLN 89 Ca 0.01 -0.55 -0.02 0.00 0.01 0.00 0.00 55.36 54.81 2djt s GLN 89 Cb 0.09 -2.85 -0.04 0.00 -1.01 0.00 0.00 33.01 29.20 2djt s GLN 89 CO 0.54 0.25 0.13 -1.17 0.01 0.00 0.00 175.29 175.04 2djt s LEU 90 N 0.33 4.15 -0.22 2.90 0.20 -1.12 -4.82 118.68 120.10 2djt s LEU 90 Ca -0.05 0.25 -0.03 0.00 0.69 0.00 0.00 54.13 54.99 2djt s LEU 90 Cb -0.15 -2.44 0.10 0.00 -0.43 0.00 0.00 46.19 43.28 2djt s LEU 90 CO 0.04 0.27 0.24 -2.28 -0.29 0.00 0.00 176.35 174.33 2djt s HIS 91 N -1.26 -0.33 0.03 5.38 2.46 -1.25 -3.36 115.29 116.97 2djt s HIS 91 Ca 0.25 0.19 0.05 0.00 0.47 0.00 0.00 55.06 56.02 2djt s HIS 91 Cb -0.12 -0.36 -0.02 0.00 -0.13 0.00 0.00 32.58 31.95 2djt s HIS 91 CO 0.16 -0.66 -0.16 -0.51 -2.47 0.00 0.00 174.74 171.10 2djt s LEU 92 N 2.34 2.13 -0.34 8.88 1.43 -1.14 0.11 118.68 132.09 2djt s LEU 92 Ca 0.08 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 2djt s LEU 92 Cb -0.15 -0.74 -0.00 0.00 0.03 0.00 0.00 46.19 45.32 2djt s LEU 92 CO -0.16 0.10 0.21 -0.69 0.23 0.00 0.00 176.35 176.05 2djt s VAL 93 N -0.71 4.95 0.04 -1.59 1.01 -0.54 0.12 120.40 123.68 2djt s VAL 93 Ca 0.04 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.69 2djt s VAL 93 Cb -0.08 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2djt s VAL 93 CO 0.01 -0.04 -0.20 -0.63 0.00 0.00 0.00 175.10 174.24 2djt s ILE 94 N 1.66 2.63 -0.07 2.22 -1.09 -0.84 -1.25 121.20 124.46 2djt s ILE 94 Ca 0.05 -1.25 -0.01 0.00 -2.23 0.00 0.00 60.65 57.21 2djt s ILE 94 Cb -0.18 -2.09 0.03 0.00 -1.58 0.00 0.00 42.46 38.64 2djt s ILE 94 CO 0.08 0.34 -0.01 -0.60 -1.23 0.00 0.00 174.94 173.52 2djt s ARG 95 N -1.41 0.76 0.04 2.79 3.52 -0.76 -2.15 118.95 121.74 2djt s ARG 95 Ca 0.14 0.03 -0.31 0.00 -0.13 0.00 0.00 55.73 55.47 2djt s ARG 95 Cb -0.10 -1.04 -0.06 0.00 -1.56 0.00 0.00 34.95 32.19 2djt s ARG 95 CO 0.05 -0.27 1.25 0.50 -0.81 0.00 0.00 175.30 176.02 2djt s ARG 96 N 1.80 4.38 0.31 5.12 3.52 -1.26 -3.86 118.95 128.96 2djt s ARG 96 Ca 0.03 1.82 -0.05 0.00 -0.13 0.00 0.00 55.73 57.40 2djt s ARG 96 Cb -0.13 -3.39 0.08 0.00 -1.56 0.00 0.00 34.95 29.95 2djt s ARG 96 CO -0.05 -0.35 0.27 -0.35 -0.81 0.00 0.00 175.30 174.01 2djt n PRO 97 N 4.30 -1.56 -2.33 5.12 -0.04 -1.26 -4.97 135.00 134.26 2djt n PRO 97 Ca 0.10 -0.44 -0.41 0.00 -0.04 0.00 0.00 63.50 62.71 2djt n PRO 97 Cb 0.45 -0.41 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 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 4.44 0.59 1.53 1.43 -1.26 -5.00 118.68 120.41 2djt s LEU 98 Ca 0.18 2.29 -0.18 0.00 -1.03 0.00 0.00 54.13 55.39 2djt s LEU 98 Cb -0.02 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2djt s LEU 98 CO 0.14 -0.41 1.15 -0.55 0.23 0.00 0.00 176.35 176.91 2djt s SER 99 N 0.13 5.40 0.00 2.29 0.15 -1.26 -4.87 113.70 115.53 2djt s SER 99 Ca 0.53 2.21 0.00 0.00 0.70 0.00 0.00 55.95 59.40 2djt s SER 99 Cb -0.34 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.39 2djt s SER 99 CO 0.38 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 173.98 2djt n GLY 100 N 0.15 1.00 0.00 9.45 0.00 -1.26 -4.99 105.19 109.53 2djt n GLY 100 Ca 0.12 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 0.19 -1.55 1.61 -0.04 -1.26 -4.80 135.00 129.15 2djt n PRO 101 Ca 0.00 0.15 -0.51 0.00 -0.04 0.00 0.00 63.50 63.10 2djt n PRO 101 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2djt n PRO 101 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2djt n SER 102 N -1.30 2.50 -4.75 3.54 7.64 -1.26 -4.93 113.62 115.06 2djt n SER 102 Ca 0.07 0.65 -0.36 0.00 1.01 0.00 0.00 58.87 60.24 2djt n SER 102 Cb 0.12 -1.27 -0.07 0.00 -1.01 0.00 0.00 64.21 61.98 2djt n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2djt s SER 103 N 5.96 6.33 0.00 6.43 0.15 -1.26 -5.25 113.70 126.05 2djt s SER 103 Ca 1.04 0.37 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2djt s SER 103 Cb -0.85 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 2djt s SER 103 CO 0.52 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.76