#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gj2 s THR 3 N 0.00 3.39 -0.17 0.00 2.01 -1.25 -2.52 115.64 117.10 2gj2 s THR 3 Ca 0.00 1.29 -0.04 0.00 0.31 0.00 0.00 61.69 63.25 2gj2 s THR 3 Cb 0.00 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2gj2 s THR 3 CO 0.00 0.26 -0.04 0.12 -0.69 0.00 0.00 174.62 174.27 2gj2 s PHE 4 N -0.65 3.00 0.01 4.92 5.36 -0.63 -4.86 117.98 125.12 2gj2 s PHE 4 Ca 0.49 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.05 2gj2 s PHE 4 Cb -0.34 -1.98 -0.01 0.00 -0.34 0.00 0.00 43.02 40.35 2gj2 s PHE 4 CO 0.41 -0.14 -0.05 -0.65 -1.46 0.00 0.00 175.22 173.34 2gj2 s GLN 5 N 0.58 0.35 -0.20 10.12 -0.21 -1.26 -0.73 119.66 128.31 2gj2 s GLN 5 Ca -0.03 -0.38 -0.28 0.00 0.02 0.00 0.00 55.36 54.69 2gj2 s GLN 5 Cb -0.14 -0.21 0.10 0.00 1.00 0.00 0.00 33.01 33.75 2gj2 s GLN 5 CO 0.03 0.05 0.87 -0.08 -2.12 0.00 0.00 175.29 174.03 2gj2 s THR 6 N -0.67 0.00 -1.27 -0.19 -1.32 -0.87 -5.00 115.64 106.32 2gj2 s THR 6 Ca -0.05 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.55 2gj2 s THR 6 Cb -0.05 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.98 2gj2 s THR 6 CO -0.00 0.00 0.78 0.47 -2.21 0.00 0.00 174.62 173.66 2gj2 n ASP 7 N 1.69 1.64 -4.88 8.08 10.43 -1.26 -0.78 116.55 131.47 2gj2 n ASP 7 Ca -0.14 -1.32 -0.31 0.00 2.57 0.00 0.00 54.79 55.59 2gj2 n ASP 7 Cb 0.56 0.25 -0.05 0.00 1.84 0.00 0.00 41.12 43.72 2gj2 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2gj2 s ALA 8 N -1.26 3.59 1.01 2.24 0.00 -1.26 -4.88 121.76 121.19 2gj2 s ALA 8 Ca 0.12 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 2gj2 s ALA 8 Cb 0.10 -2.40 0.19 0.00 0.00 0.00 0.00 23.12 21.01 2gj2 s ALA 8 CO 0.22 0.48 1.08 -0.51 0.00 0.00 0.00 175.76 177.04 2gj2 s ASP 9 N -2.47 2.35 0.08 0.00 1.01 -1.26 -4.71 116.67 111.67 2gj2 s ASP 9 Ca 0.47 1.68 -0.14 0.00 0.71 0.00 0.00 52.55 55.27 2gj2 s ASP 9 Cb -0.11 -2.32 0.02 0.00 1.01 0.00 0.00 42.92 41.52 2gj2 s ASP 9 CO 0.23 -3.37 0.33 0.72 0.21 0.00 0.00 175.17 173.28 2gj2 s PHE 10 N -2.68 -0.11 0.07 4.23 -0.12 -0.65 -0.69 117.98 118.04 2gj2 s PHE 10 Ca 0.66 -0.14 -0.13 0.00 -0.05 0.00 0.00 56.93 57.28 2gj2 s PHE 10 Cb -0.22 0.14 -0.06 0.00 -0.63 0.00 0.00 43.02 42.25 2gj2 s PHE 10 CO 0.60 -0.59 0.44 -0.51 -0.05 0.00 0.00 175.22 175.11 2gj2 s LEU 11 N -2.49 4.39 -0.10 -1.99 1.43 -0.32 0.50 118.68 120.10 2gj2 s LEU 11 Ca -0.00 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 2gj2 s LEU 11 Cb 0.01 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 2gj2 s LEU 11 CO -0.08 0.20 -0.16 -0.76 0.23 0.00 0.00 176.35 175.79 2gj2 s LEU 12 N -1.66 2.59 -0.04 1.79 1.43 0.16 -0.93 118.68 122.01 2gj2 s LEU 12 Ca 0.31 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2gj2 s LEU 12 Cb -0.15 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.53 2gj2 s LEU 12 CO 0.17 0.21 -0.06 -0.69 0.23 0.00 0.00 176.35 176.21 2gj2 s VAL 13 N 0.05 0.65 0.17 -1.59 1.01 -0.24 -0.87 120.40 119.59 2gj2 s VAL 13 Ca -0.06 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 2gj2 s VAL 13 Cb -0.15 -0.65 0.07 0.00 0.00 0.00 0.00 36.38 35.66 2gj2 s VAL 13 CO 0.05 0.24 0.96 0.61 0.00 0.00 0.00 175.10 176.96 2gj2 n GLY 14 N 3.88 0.65 0.13 4.51 0.00 -0.89 0.64 105.19 114.11 2gj2 n GLY 14 Ca -0.24 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 2gj2 n GLY 14 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gj2 n ASP 15 N -1.25 1.99 -4.32 1.61 2.03 -1.26 -4.57 116.55 110.77 2gj2 n ASP 15 Ca -0.02 0.06 -0.44 0.00 0.52 0.00 0.00 54.79 54.90 2gj2 n ASP 15 Cb 0.54 -0.60 -0.00 0.00 -0.72 0.00 0.00 41.12 40.34 2gj2 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2gj2 s ASP 16 N -6.86 7.25 0.00 1.67 2.15 -1.26 -4.83 116.67 114.79 2gj2 s ASP 16 Ca -0.34 -3.62 0.31 0.00 0.43 0.00 0.00 52.55 49.33 2gj2 s ASP 16 Cb 0.10 -2.19 1.71 0.00 -0.30 0.00 0.00 42.92 42.24 2gj2 s ASP 16 CO 0.59 -0.28 2.12 0.35 -0.17 0.00 0.00 175.17 177.78 2gj2 n THR 17 N 2.65 0.00 -0.25 1.71 -2.24 -1.26 -4.43 114.28 110.46 2gj2 n THR 17 Ca 0.24 -0.06 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 2gj2 n THR 17 Cb 0.39 -0.27 0.21 0.00 -2.10 0.00 0.00 70.33 68.56 2gj2 n THR 17 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2gj2 n SER 18 N -0.73 -0.08 -0.59 3.42 7.64 -1.26 -0.85 113.62 121.17 2gj2 n SER 18 Ca 0.23 1.21 0.10 0.00 1.01 0.00 0.00 58.87 61.41 2gj2 n SER 18 Cb 0.17 -0.44 0.03 0.00 -1.01 0.00 0.00 64.21 62.96 2gj2 n SER 18 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2gj2 n ARG 19 N -4.97 1.61 -0.16 1.43 1.74 -1.26 -4.68 116.66 110.38 2gj2 n ARG 19 Ca 0.17 -1.24 -0.05 0.00 -0.77 0.00 0.00 57.85 55.95 2gj2 n ARG 19 Cb 0.55 -1.38 0.01 0.00 -1.02 0.00 0.00 32.46 30.62 2gj2 n ARG 19 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2gj2 h TYR 20 N 2.89 -0.76 -0.05 -1.55 -1.99 -1.28 -0.21 116.97 114.01 2gj2 h TYR 20 Ca 0.00 0.06 0.02 0.00 2.00 0.00 0.00 58.73 60.81 2gj2 h TYR 20 Cb 0.73 0.41 -0.02 0.00 2.00 0.00 0.00 36.73 39.85 2gj2 h TYR 20 CO 0.00 -0.35 -0.04 0.93 -0.00 0.00 0.00 178.16 178.69 2gj2 h GLU 21 N -0.17 -0.06 -0.58 4.88 5.08 -1.84 -2.21 114.58 119.69 2gj2 h GLU 21 Ca 0.22 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2gj2 h GLU 21 Cb 0.52 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2gj2 h GLU 21 CO -0.59 -0.04 0.13 1.05 -1.00 0.00 0.00 179.01 178.56 2gj2 h GLU 22 N -0.06 0.93 0.00 2.33 4.11 -1.63 -2.70 114.58 117.57 2gj2 h GLU 22 Ca 0.04 -0.23 -0.11 0.00 0.07 0.00 0.00 59.36 59.13 2gj2 h GLU 22 Cb 0.11 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2gj2 h GLU 22 CO -0.08 0.87 -0.52 -0.39 0.07 0.00 0.00 179.01 178.95 2gj2 h VAL 23 N 0.84 1.02 -0.18 -1.06 -1.51 -1.02 -3.16 116.25 111.18 2gj2 h VAL 23 Ca 0.18 -2.08 -0.13 0.00 -1.23 0.00 0.00 66.70 63.44 2gj2 h VAL 23 Cb 0.36 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 2gj2 h VAL 23 CO 0.00 0.51 -0.44 0.24 -1.23 0.00 0.00 177.57 176.65 2gj2 h MET 24 N 0.00 0.43 0.00 5.19 2.86 -1.31 -2.76 114.93 119.34 2gj2 h MET 24 Ca -0.01 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 2gj2 h MET 24 Cb 1.21 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 2gj2 h MET 24 CO 0.07 0.79 -0.08 0.87 1.06 0.00 0.00 176.91 179.62 2gj2 h LYS 25 N 0.35 0.00 0.00 1.72 1.57 -1.45 -1.76 116.57 117.01 2gj2 h LYS 25 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2gj2 h LYS 25 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2gj2 h LYS 25 CO 0.08 0.08 0.00 0.25 -0.57 0.00 0.00 179.45 179.29 2gj2 n THR 26 N -3.30 0.62 -3.33 -0.16 -2.24 -1.04 -4.63 114.28 100.21 2gj2 n THR 26 Ca -0.01 0.16 -0.39 0.00 -2.27 0.00 0.00 64.05 61.54 2gj2 n THR 26 Cb 0.29 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.56 2gj2 n THR 26 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2gj2 s PHE 27 N -2.70 3.33 0.58 4.78 0.40 -0.66 -4.96 117.98 118.76 2gj2 s PHE 27 Ca 0.13 0.63 0.28 0.00 -0.60 0.00 0.00 56.93 57.37 2gj2 s PHE 27 Cb 0.11 -2.60 1.73 0.00 0.51 0.00 0.00 43.02 42.77 2gj2 s PHE 27 CO 0.27 -0.11 2.23 -0.44 0.70 0.00 0.00 175.22 177.86 2gj2 h ASP 28 N 7.63 0.00 1.82 1.36 5.19 -1.87 -2.74 116.42 127.81 2gj2 h ASP 28 Ca -0.33 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.05 2gj2 h ASP 28 Cb 1.16 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2gj2 h ASP 28 CO 0.71 0.00 -0.10 0.71 -3.12 0.00 0.00 179.24 177.44 2gj2 h THR 29 N 0.00 0.18 -2.98 0.35 1.35 -1.92 -3.46 112.91 106.42 2gj2 h THR 29 Ca 0.01 -1.21 -0.57 0.00 -0.55 0.00 0.00 66.41 64.09 2gj2 h THR 29 Cb 0.03 2.05 -0.05 0.00 -1.73 0.00 0.00 68.15 68.45 2gj2 h THR 29 CO -0.00 0.10 0.89 -0.69 -0.25 0.00 0.00 175.52 175.57 2gj2 s VAL 30 N -3.20 4.36 0.05 6.82 1.01 -1.03 -0.29 120.40 128.11 2gj2 s VAL 30 Ca 0.06 1.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 2gj2 s VAL 30 Cb 0.06 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 32.07 2gj2 s VAL 30 CO 0.68 -0.19 1.11 -0.08 0.00 0.00 0.00 175.10 176.62 2gj2 h GLU 31 N 8.14 0.61 -2.44 2.72 4.81 -0.19 -3.44 114.58 124.79 2gj2 h GLU 31 Ca -0.24 -0.77 0.11 0.00 -0.13 0.00 0.00 59.36 58.33 2gj2 h GLU 31 Cb 1.09 0.24 -0.12 0.00 0.63 0.00 0.00 28.75 30.59 2gj2 h GLU 31 CO 0.98 1.34 0.43 0.00 -0.73 0.00 0.00 179.01 181.03 2gj2 s ALA 32 N -3.06 -1.71 -0.04 2.92 0.00 -1.10 -4.99 121.76 113.78 2gj2 s ALA 32 Ca -0.10 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 2gj2 s ALA 32 Cb 0.05 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2gj2 s ALA 32 CO 0.92 -0.81 0.05 0.08 0.00 0.00 0.00 175.76 175.99 2gj2 s VAL 33 N -3.30 -0.07 -0.08 0.00 1.01 -1.26 -1.16 120.40 115.54 2gj2 s VAL 33 Ca 0.07 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2gj2 s VAL 33 Cb -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.20 2gj2 s VAL 33 CO -0.06 0.18 -0.18 -0.13 0.00 0.00 0.00 175.10 174.91 2gj2 s ARG 34 N 2.04 2.36 0.16 2.72 0.52 -0.24 -4.96 118.95 121.54 2gj2 s ARG 34 Ca 0.03 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 2gj2 s ARG 34 Cb -0.12 -1.85 -0.07 0.00 0.52 0.00 0.00 34.95 33.43 2gj2 s ARG 34 CO -0.03 0.10 0.97 0.21 0.02 0.00 0.00 175.30 176.57 2gj2 s LYS 35 N 0.50 4.74 0.44 3.54 2.20 -1.26 -0.25 119.74 129.64 2gj2 s LYS 35 Ca -0.17 1.49 -0.24 0.00 -0.36 0.00 0.00 55.97 56.69 2gj2 s LYS 35 Cb -0.17 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 2gj2 s LYS 35 CO 0.06 0.29 1.26 0.45 -0.36 0.00 0.00 175.35 177.05 2gj2 s SER 36 N -0.36 6.12 0.00 1.43 0.15 0.18 -4.90 113.70 116.31 2gj2 s SER 36 Ca 0.45 2.54 0.24 0.00 0.70 0.00 0.00 55.95 59.88 2gj2 s SER 36 Cb -0.25 -2.63 0.28 0.00 -1.71 0.00 0.00 66.02 61.72 2gj2 s SER 36 CO 0.31 -0.97 1.26 -0.90 1.20 0.00 0.00 173.24 174.14 2gj2 n ASP 37 N -0.24 0.88 -0.08 5.45 5.75 -1.26 -4.23 116.55 122.81 2gj2 n ASP 37 Ca 0.06 -0.69 -0.22 0.00 -0.01 0.00 0.00 54.79 53.92 2gj2 n ASP 37 Cb 0.45 0.47 -0.12 0.00 -1.03 0.00 0.00 41.12 40.90 2gj2 n ASP 37 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2gj2 n LEU 38 N -1.22 2.03 -3.77 -2.12 7.94 -1.26 -4.91 117.00 113.69 2gj2 n LEU 38 Ca 0.06 0.37 -0.23 0.00 -1.11 0.00 0.00 56.01 55.10 2gj2 n LEU 38 Cb 0.35 -0.99 -0.17 0.00 0.53 0.00 0.00 43.42 43.13 2gj2 n LEU 38 CO 0.35 0.41 -0.38 -0.62 -1.11 0.00 0.00 177.39 176.05 2gj2 s ASP 39 N -6.93 1.65 0.00 1.96 2.15 -1.26 -5.03 116.67 109.21 2gj2 s ASP 39 Ca -0.28 -0.12 0.04 0.00 0.43 0.00 0.00 52.55 52.62 2gj2 s ASP 39 Cb 0.07 -0.44 0.23 0.00 -0.30 0.00 0.00 42.92 42.47 2gj2 s ASP 39 CO 0.62 -0.20 0.86 0.47 -0.17 0.00 0.00 175.17 176.75 2gj2 n ASP 40 N 5.15 0.00 -0.05 -0.34 10.43 -1.26 -1.85 116.55 128.62 2gj2 n ASP 40 Ca -0.07 0.07 0.11 0.00 2.57 0.00 0.00 54.79 57.47 2gj2 n ASP 40 Cb 0.50 -0.16 0.09 0.00 1.84 0.00 0.00 41.12 43.39 2gj2 n ASP 40 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2gj2 n ARG 41 N -1.16 0.15 -4.55 -1.24 1.74 -1.26 -4.89 116.66 105.45 2gj2 n ARG 41 Ca 0.03 -0.11 -0.33 0.00 -0.77 0.00 0.00 57.85 56.66 2gj2 n ARG 41 Cb 0.02 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.83 2gj2 n ARG 41 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gj2 s VAL 42 N -2.92 3.33 0.10 1.55 1.01 -0.77 -2.08 120.40 120.61 2gj2 s VAL 42 Ca 0.11 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.62 2gj2 s VAL 42 Cb 0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2gj2 s VAL 42 CO 0.75 0.50 -0.21 -0.31 0.00 0.00 0.00 175.10 175.83 2gj2 s TYR 43 N 0.50 1.76 -0.11 5.22 1.51 -0.05 0.47 117.35 126.65 2gj2 s TYR 43 Ca -0.07 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2gj2 s TYR 43 Cb -0.15 -0.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.71 2gj2 s TYR 43 CO 0.04 0.20 -0.10 0.00 -1.11 0.00 0.00 175.55 174.58 2gj2 s MET 44 N -1.92 3.22 -0.22 -0.62 0.23 0.65 -0.67 119.30 119.96 2gj2 s MET 44 Ca 0.06 -0.62 -0.01 0.00 -1.03 0.00 0.00 55.69 54.09 2gj2 s MET 44 Cb -0.10 -2.66 0.02 0.00 -1.53 0.00 0.00 34.83 30.56 2gj2 s MET 44 CO 0.04 0.37 -0.09 0.08 -2.03 0.00 0.00 175.02 173.38 2gj2 s VAL 45 N -0.02 2.77 -0.14 5.16 1.01 0.18 -1.08 120.40 128.28 2gj2 s VAL 45 Ca -0.02 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 2gj2 s VAL 45 Cb -0.14 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2gj2 s VAL 45 CO 0.03 0.33 0.37 0.00 0.00 0.00 0.00 175.10 175.83 2gj2 s LEU 47 N 0.45 4.40 0.73 0.00 1.43 -1.26 0.51 118.68 124.94 2gj2 s LEU 47 Ca 0.20 0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 53.67 2gj2 s LEU 47 Cb -0.14 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.95 2gj2 s LEU 47 CO 0.07 0.40 0.87 0.29 0.23 0.00 0.00 176.35 178.21 2gj2 n LYS 48 N 1.95 0.42 -1.68 1.70 5.02 0.60 -4.63 118.16 121.54 2gj2 n LYS 48 Ca -0.19 0.20 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 2gj2 n LYS 48 Cb 0.55 -2.14 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 2gj2 n LYS 48 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2gj2 n GLN 49 N -1.70 2.23 -2.29 1.97 7.27 -1.26 -1.49 117.38 122.11 2gj2 n GLN 49 Ca 0.12 0.80 -0.16 0.00 0.07 0.00 0.00 57.00 57.84 2gj2 n GLN 49 Cb 0.50 -2.56 -0.01 0.00 2.41 0.00 0.00 30.24 30.58 2gj2 n GLN 49 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2gj2 n GLY 50 N 3.14 -0.27 3.44 1.69 0.00 -1.26 -5.00 105.19 106.93 2gj2 n GLY 50 Ca 0.15 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2gj2 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gj2 s SER 51 N -2.30 3.94 -0.20 1.61 0.01 -0.56 -5.11 113.70 111.10 2gj2 s SER 51 Ca 0.00 -0.25 -0.03 0.00 1.31 0.00 0.00 55.95 56.98 2gj2 s SER 51 Cb 0.00 -0.98 -0.01 0.00 0.21 0.00 0.00 66.02 65.24 2gj2 s SER 51 CO 0.00 0.31 -0.05 -0.89 0.41 0.00 0.00 173.24 173.01 2gj2 s THR 52 N -0.49 3.42 -0.12 1.44 2.01 -1.26 -4.57 115.64 116.07 2gj2 s THR 52 Ca 0.06 -0.49 -0.26 0.00 0.31 0.00 0.00 61.69 61.31 2gj2 s THR 52 Cb -0.12 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 2gj2 s THR 52 CO 0.02 0.44 0.87 0.12 -0.69 0.00 0.00 174.62 175.38 2gj2 s PHE 53 N 1.17 3.49 -0.07 4.92 5.36 0.04 -4.93 117.98 127.97 2gj2 s PHE 53 Ca 0.02 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 2gj2 s PHE 53 Cb -0.14 -3.03 0.02 0.00 -0.34 0.00 0.00 43.02 39.52 2gj2 s PHE 53 CO -0.01 -0.16 -0.11 0.14 -1.46 0.00 0.00 175.22 173.62 2gj2 s VAL 54 N 1.79 1.05 -0.38 3.12 -7.23 -1.26 -2.06 120.40 115.43 2gj2 s VAL 54 Ca 0.42 -0.41 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2gj2 s VAL 54 Cb -0.18 -0.99 0.09 0.00 0.56 0.00 0.00 36.38 35.87 2gj2 s VAL 54 CO 0.16 0.34 0.16 -0.76 -0.31 0.00 0.00 175.10 174.70 2gj2 s LEU 55 N 0.86 4.91 0.28 1.32 1.43 0.09 -4.97 118.68 122.60 2gj2 s LEU 55 Ca -0.11 -1.76 -0.02 0.00 -1.03 0.00 0.00 54.13 51.21 2gj2 s LEU 55 Cb -0.15 -1.83 0.42 0.00 0.03 0.00 0.00 46.19 44.66 2gj2 s LEU 55 CO 0.01 -0.47 1.92 0.78 0.23 0.00 0.00 176.35 178.82 2gj2 h ASN 56 N 8.09 1.01 -0.13 2.29 -0.26 -1.92 -1.17 115.58 123.50 2gj2 h ASN 56 Ca -0.16 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 2gj2 h ASN 56 Cb 1.06 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 2gj2 h ASN 56 CO 0.67 0.68 0.00 0.61 -1.06 0.00 0.00 177.43 178.33 2gj2 n GLY 57 N -1.39 -0.16 4.19 2.83 0.00 -1.26 -3.97 105.19 105.43 2gj2 n GLY 57 Ca 0.13 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.87 2gj2 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gj2 n GLY 58 N 0.96 -2.08 0.36 -0.02 0.00 -0.54 -3.55 105.19 100.34 2gj2 n GLY 58 Ca 0.13 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.83 2gj2 n GLY 58 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gj2 h ILE 59 N -0.06 0.91 -0.89 -0.61 2.04 -1.87 0.22 117.51 117.23 2gj2 h ILE 59 Ca 0.00 -0.21 0.18 0.00 1.00 0.00 0.00 64.86 65.83 2gj2 h ILE 59 Cb 0.06 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.31 2gj2 h ILE 59 CO 0.00 0.11 0.58 -0.33 0.00 0.00 0.00 178.15 178.52 2gj2 h GLU 60 N 0.62 0.51 -0.82 2.37 3.07 -1.95 0.26 114.58 118.64 2gj2 h GLU 60 Ca 0.35 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.16 2gj2 h GLU 60 Cb 0.54 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 2gj2 h GLU 60 CO -0.13 0.34 0.40 1.49 -1.40 0.00 0.00 179.01 179.71 2gj2 h GLU 61 N 0.53 1.17 -0.03 2.33 4.81 -0.99 -1.16 114.58 121.24 2gj2 h GLU 61 Ca 0.46 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.37 2gj2 h GLU 61 Cb 0.98 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2gj2 h GLU 61 CO -0.20 0.90 -0.71 1.25 -0.73 0.00 0.00 179.01 179.52 2gj2 h LEU 62 N 1.17 0.17 -0.81 1.64 5.85 -0.58 -1.29 115.31 121.46 2gj2 h LEU 62 Ca 0.28 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 2gj2 h LEU 62 Cb 0.11 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2gj2 h LEU 62 CO -0.04 0.82 -0.29 0.03 -0.34 0.00 0.00 178.44 178.63 2gj2 h ARG 63 N 0.10 0.57 -0.17 1.25 3.08 -0.91 -0.33 114.38 117.96 2gj2 h ARG 63 Ca -0.02 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 2gj2 h ARG 63 Cb 1.25 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 2gj2 h ARG 63 CO 0.10 0.80 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.64 2gj2 h LEU 64 N 0.49 0.37 -1.19 3.04 3.38 -0.93 0.61 115.31 121.09 2gj2 h LEU 64 Ca 0.06 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 2gj2 h LEU 64 Cb 0.75 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2gj2 h LEU 64 CO 0.06 0.71 0.06 -0.07 0.09 0.00 0.00 178.44 179.29 2gj2 h LEU 65 N 0.04 0.58 0.00 1.67 3.38 -1.09 -2.78 115.31 117.11 2gj2 h LEU 65 Ca 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2gj2 h LEU 65 Cb 0.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2gj2 h LEU 65 CO 0.03 0.61 -0.76 0.00 0.09 0.00 0.00 178.44 178.40 2gj2 h THR 66 N 0.60 0.00 -1.46 0.22 1.03 -0.98 -3.48 112.91 108.84 2gj2 h THR 66 Ca 0.13 -0.99 -0.24 0.00 -0.01 0.00 0.00 66.41 65.31 2gj2 h THR 66 Cb 0.29 1.61 -0.03 0.00 -1.07 0.00 0.00 68.15 68.95 2gj2 h THR 66 CO 0.00 0.00 -0.29 0.61 -0.01 0.00 0.00 175.52 175.84 2gj2 n GLY 67 N 1.17 0.17 2.91 2.99 0.00 0.21 -4.70 105.19 107.94 2gj2 n GLY 67 Ca 0.01 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2gj2 n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gj2 s ASP 68 N -2.55 4.33 0.61 1.61 2.15 -0.79 -4.98 116.67 117.06 2gj2 s ASP 68 Ca 0.00 -1.77 0.41 0.00 0.43 0.00 0.00 52.55 51.62 2gj2 s ASP 68 Cb 0.00 -1.29 2.23 0.00 -0.30 0.00 0.00 42.92 43.57 2gj2 s ASP 68 CO 0.00 -0.36 2.26 0.77 -0.17 0.00 0.00 175.17 177.67 2gj2 h SER 69 N 7.84 0.00 0.19 -0.34 4.64 -1.95 -2.69 113.55 121.24 2gj2 h SER 69 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2gj2 h SER 69 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2gj2 h SER 69 CO 0.48 0.00 -1.07 0.35 -0.87 0.00 0.00 176.83 175.72 2gj2 n THR 70 N -2.94 0.05 -1.48 2.95 -2.24 -1.26 -5.00 114.28 104.35 2gj2 n THR 70 Ca -0.03 -0.13 -0.53 0.00 -2.27 0.00 0.00 64.05 61.09 2gj2 n THR 70 Cb 0.07 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 2gj2 n THR 70 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2gj2 n LEU 71 N -1.72 -0.14 -4.14 3.22 -0.00 -1.01 -4.69 117.00 108.51 2gj2 n LEU 71 Ca 0.03 1.15 -0.11 0.00 -0.00 0.00 0.00 56.01 57.07 2gj2 n LEU 71 Cb 0.39 -0.99 -0.10 0.00 -0.00 0.00 0.00 43.42 42.72 2gj2 n LEU 71 CO 0.42 -2.16 -0.39 -0.70 -0.00 0.00 0.00 177.39 174.56 2gj2 s GLU 72 N -0.41 0.75 -0.00 1.96 2.56 0.21 -4.96 118.70 118.81 2gj2 s GLU 72 Ca 0.78 -1.21 0.05 0.00 0.00 0.00 0.00 54.97 54.60 2gj2 s GLU 72 Cb -1.07 -0.18 -0.02 0.00 2.00 0.00 0.00 34.13 34.86 2gj2 s GLU 72 CO 0.56 -0.01 -0.17 -1.50 -0.56 0.00 0.00 175.26 173.57 2gj2 s ILE 73 N -3.20 1.35 -0.27 -3.70 2.07 -1.26 -1.08 121.20 115.12 2gj2 s ILE 73 Ca 0.07 -0.81 -0.03 0.00 -1.41 0.00 0.00 60.65 58.48 2gj2 s ILE 73 Cb 0.02 -1.14 0.09 0.00 0.13 0.00 0.00 42.46 41.56 2gj2 s ILE 73 CO -0.04 0.32 0.10 -1.58 -1.91 0.00 0.00 174.94 171.82 2gj2 s GLN 74 N -0.56 0.45 0.66 3.50 2.00 -0.11 -4.96 119.66 120.63 2gj2 s GLN 74 Ca 0.06 -0.65 -0.17 0.00 -2.00 0.00 0.00 55.36 52.60 2gj2 s GLN 74 Cb -0.07 -1.69 -0.00 0.00 0.80 0.00 0.00 33.01 32.05 2gj2 s GLN 74 CO -0.00 -0.90 1.22 -2.14 -0.50 0.00 0.00 175.29 172.96 2gj2 s PRO 75 N 1.89 2.57 -0.03 1.67 0.02 -1.26 -1.17 135.00 138.69 2gj2 s PRO 75 Ca 0.07 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.90 2gj2 s PRO 75 Cb -0.17 -1.88 -0.26 0.00 0.02 0.00 0.00 34.50 32.21 2gj2 s PRO 75 CO -0.25 -1.52 0.71 1.98 -0.33 0.00 0.00 177.00 177.59 2gj2 h MET 76 N 0.32 0.18 -4.45 5.54 4.05 -1.19 -3.46 114.93 115.93 2gj2 h MET 76 Ca -0.49 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 58.62 2gj2 h MET 76 Cb 1.30 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.22 2gj2 h MET 76 CO 0.53 0.98 -0.87 1.51 0.23 0.00 0.00 176.91 179.29 2gj2 n ILE 77 N -3.35-12.13 -4.80 1.77 0.13 -1.26 -5.02 119.36 94.70 2gj2 n ILE 77 Ca -0.20 2.99 -0.25 0.00 -1.10 0.00 0.00 62.75 64.20 2gj2 n ILE 77 Cb 1.04 -5.25 -0.16 0.00 -0.84 0.00 0.00 39.64 34.43 2gj2 n ILE 77 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 2gj2 s VAL 78 N -0.49 1.34 -0.47 9.51 1.01 -1.26 -5.07 120.40 124.97 2gj2 s VAL 78 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 2gj2 s VAL 78 Cb 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.19 2gj2 s VAL 78 CO 0.00 0.38 2.37 -2.84 0.00 0.00 0.00 175.10 175.01 2gj2 s PRO 79 N -0.25 2.21 0.00 2.72 0.02 -1.26 -5.13 135.00 133.32 2gj2 s PRO 79 Ca 0.03 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.49 2gj2 s PRO 79 Cb -0.08 -4.56 0.00 0.00 0.02 0.00 0.00 34.50 29.88 2gj2 s PRO 79 CO 0.00 -3.15 0.00 2.41 -0.33 0.00 0.00 177.00 175.93