#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gj2 n THR 3 N 0.00 0.02 -4.65 0.00 -1.04 -1.24 -3.64 114.28 103.74 2gj2 n THR 3 Ca 0.00 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 2gj2 n THR 3 Cb 0.00 -0.46 -0.13 0.00 -1.82 0.00 0.00 70.33 67.92 2gj2 n THR 3 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2gj2 s PHE 4 N 2.37 2.89 -0.01 -1.42 5.36 -0.35 -4.89 117.98 121.93 2gj2 s PHE 4 Ca 1.01 -0.29 -0.00 0.00 -0.96 0.00 0.00 56.93 56.69 2gj2 s PHE 4 Cb -1.41 -1.81 0.01 0.00 -0.34 0.00 0.00 43.02 39.48 2gj2 s PHE 4 CO 0.75 0.05 0.02 -0.65 -1.46 0.00 0.00 175.22 173.92 2gj2 s GLN 5 N -0.13 -0.02 -0.22 10.12 -0.21 -1.26 -0.43 119.66 127.52 2gj2 s GLN 5 Ca 0.01 0.09 -0.18 0.00 0.02 0.00 0.00 55.36 55.29 2gj2 s GLN 5 Cb -0.13 -0.12 0.06 0.00 1.00 0.00 0.00 33.01 33.82 2gj2 s GLN 5 CO 0.03 -0.08 0.57 -0.08 -2.12 0.00 0.00 175.29 173.62 2gj2 s THR 6 N 0.51 -0.00 -1.45 -0.19 -1.32 -0.68 -5.01 115.64 107.50 2gj2 s THR 6 Ca -0.04 0.01 0.18 0.00 -1.21 0.00 0.00 61.69 60.63 2gj2 s THR 6 Cb -0.06 -0.81 0.65 0.00 -1.51 0.00 0.00 72.50 70.77 2gj2 s THR 6 CO -0.01 0.00 1.54 0.47 -2.21 0.00 0.00 174.62 174.41 2gj2 n ASP 7 N 3.12 4.17 -4.25 8.08 8.00 -1.26 -1.75 116.55 132.65 2gj2 n ASP 7 Ca -0.15 -2.28 -0.14 0.00 0.71 0.00 0.00 54.79 52.93 2gj2 n ASP 7 Cb 0.56 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 2gj2 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gj2 s ALA 8 N -1.59 1.40 1.08 2.24 0.00 -1.26 -4.88 121.76 118.75 2gj2 s ALA 8 Ca 0.47 -1.59 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 2gj2 s ALA 8 Cb 0.28 0.47 0.14 0.00 0.00 0.00 0.00 23.12 24.01 2gj2 s ALA 8 CO 0.25 -0.28 0.45 -0.25 0.00 0.00 0.00 175.76 175.93 2gj2 n ASP 9 N -0.25 -1.91 -3.49 0.00 9.92 -1.26 -4.76 116.55 114.80 2gj2 n ASP 9 Ca -0.07 0.01 -0.12 0.00 -0.53 0.00 0.00 54.79 54.08 2gj2 n ASP 9 Cb 0.63 -1.13 -0.03 0.00 -0.64 0.00 0.00 41.12 39.94 2gj2 n ASP 9 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2gj2 s PHE 10 N -2.35 -0.49 0.18 1.24 -0.12 -0.27 -1.43 117.98 114.74 2gj2 s PHE 10 Ca 0.60 0.53 -0.12 0.00 -0.05 0.00 0.00 56.93 57.89 2gj2 s PHE 10 Cb -0.18 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 2gj2 s PHE 10 CO 0.65 -0.64 0.55 -0.51 -0.05 0.00 0.00 175.22 175.23 2gj2 s LEU 11 N -2.08 4.26 -0.15 -1.99 1.43 -0.41 0.12 118.68 119.86 2gj2 s LEU 11 Ca -0.01 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 2gj2 s LEU 11 Cb -0.01 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.77 2gj2 s LEU 11 CO -0.04 0.02 -0.20 -0.76 0.23 0.00 0.00 176.35 175.60 2gj2 s LEU 12 N -2.34 2.05 0.03 1.79 1.43 0.34 -1.38 118.68 120.60 2gj2 s LEU 12 Ca 0.42 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2gj2 s LEU 12 Cb -0.13 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2gj2 s LEU 12 CO 0.20 0.04 -0.22 -0.69 0.23 0.00 0.00 176.35 175.91 2gj2 s VAL 13 N 1.03 1.75 -0.11 -1.59 1.01 -0.56 -0.95 120.40 120.97 2gj2 s VAL 13 Ca -0.02 -1.16 -0.33 0.00 0.00 0.00 0.00 61.98 60.46 2gj2 s VAL 13 Cb -0.14 -1.50 0.13 0.00 0.00 0.00 0.00 36.38 34.86 2gj2 s VAL 13 CO -0.06 0.30 1.19 -0.83 0.00 0.00 0.00 175.10 175.70 2gj2 s GLY 14 N -1.03 -0.34 0.00 4.51 0.00 -1.03 0.47 107.32 109.91 2gj2 s GLY 14 Ca 0.08 1.25 0.27 0.00 0.00 0.00 0.00 44.72 46.32 2gj2 s GLY 14 CO 0.01 0.39 1.65 1.34 0.00 0.00 0.00 173.10 176.48 2gj2 n ASP 15 N -0.22 0.36 -3.29 1.64 2.03 -1.26 -4.47 116.55 111.34 2gj2 n ASP 15 Ca -0.03 -0.08 -0.21 0.00 0.52 0.00 0.00 54.79 54.99 2gj2 n ASP 15 Cb 0.60 -0.04 -0.08 0.00 -0.72 0.00 0.00 41.12 40.88 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 -2.91 1.05 -0.01 1.67 2.15 -1.26 -5.01 116.67 112.35 2gj2 s ASP 16 Ca 0.15 -2.40 0.07 0.00 0.43 0.00 0.00 52.55 50.80 2gj2 s ASP 16 Cb 0.18 0.20 0.22 0.00 -0.30 0.00 0.00 42.92 43.22 2gj2 s ASP 16 CO 0.61 -0.19 1.16 0.35 -0.17 0.00 0.00 175.17 176.93 2gj2 n THR 17 N 3.32 0.38 -0.27 1.71 -2.24 -1.26 -4.59 114.28 111.32 2gj2 n THR 17 Ca 0.21 -0.34 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 2gj2 n THR 17 Cb 0.47 0.11 0.11 0.00 -2.10 0.00 0.00 70.33 68.92 2gj2 n THR 17 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2gj2 h SER 18 N 1.42 -0.67 -0.54 3.42 0.02 -1.94 -2.41 113.55 112.85 2gj2 h SER 18 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2gj2 h SER 18 Cb 0.39 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2gj2 h SER 18 CO 0.01 -0.25 0.00 -1.14 -1.14 0.00 0.00 176.83 174.31 2gj2 n ARG 19 N -5.49 2.61 0.10 3.45 0.63 -1.26 -4.63 116.66 112.07 2gj2 n ARG 19 Ca 0.12 -2.46 -0.13 0.00 -0.92 0.00 0.00 57.85 54.45 2gj2 n ARG 19 Cb 0.42 -1.54 -0.06 0.00 0.45 0.00 0.00 32.46 31.73 2gj2 n ARG 19 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2gj2 h TYR 20 N 4.43 -0.98 -0.98 -0.14 -1.99 -1.75 -1.60 116.97 113.96 2gj2 h TYR 20 Ca 0.00 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.81 2gj2 h TYR 20 Cb 1.00 0.42 -0.06 0.00 2.00 0.00 0.00 36.73 40.08 2gj2 h TYR 20 CO 0.35 -0.46 0.64 1.49 -0.00 0.00 0.00 178.16 180.18 2gj2 h GLU 21 N -0.57 1.13 -0.35 4.88 4.81 -1.82 -1.83 114.58 120.84 2gj2 h GLU 21 Ca 0.04 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 2gj2 h GLU 21 Cb 0.61 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2gj2 h GLU 21 CO -0.23 0.75 -0.44 1.49 -0.73 0.00 0.00 179.01 179.86 2gj2 h GLU 22 N 1.17 0.92 0.05 1.92 4.81 -1.76 -3.12 114.58 118.56 2gj2 h GLU 22 Ca 0.41 -0.52 -0.25 0.00 -0.13 0.00 0.00 59.36 58.88 2gj2 h GLU 22 Cb 0.13 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2gj2 h GLU 22 CO -0.15 1.16 -1.22 -0.39 -0.73 0.00 0.00 179.01 177.68 2gj2 h VAL 23 N 0.73 1.48 -0.90 0.32 -1.51 -1.16 -3.31 116.25 111.89 2gj2 h VAL 23 Ca 0.05 -3.17 0.03 0.00 -1.23 0.00 0.00 66.70 62.37 2gj2 h VAL 23 Cb 1.04 2.81 -0.05 0.00 -2.13 0.00 0.00 31.29 32.95 2gj2 h VAL 23 CO 0.10 0.88 0.59 0.24 -1.23 0.00 0.00 177.57 178.15 2gj2 h MET 24 N 0.03 1.13 0.00 5.19 2.86 -1.40 -1.25 114.93 121.48 2gj2 h MET 24 Ca -0.11 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2gj2 h MET 24 Cb 1.88 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 33.29 2gj2 h MET 24 CO 0.14 0.75 0.00 1.63 1.06 0.00 0.00 176.91 180.49 2gj2 n LYS 25 N -4.50 0.08 0.13 1.72 5.02 -1.18 -1.36 118.16 118.08 2gj2 n LYS 25 Ca 0.11 0.58 0.13 0.00 -2.02 0.00 0.00 58.31 57.11 2gj2 n LYS 25 Cb 0.07 -1.78 0.40 0.00 -0.02 0.00 0.00 35.03 33.70 2gj2 n LYS 25 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2gj2 h THR 26 N 0.00 0.00 -3.44 -0.18 1.35 -1.38 -3.44 112.91 105.83 2gj2 h THR 26 Ca 0.00 -0.49 -0.60 0.00 -0.55 0.00 0.00 66.41 64.78 2gj2 h THR 26 Cb 0.00 1.44 -0.10 0.00 -1.73 0.00 0.00 68.15 67.77 2gj2 h THR 26 CO 0.00 0.00 0.07 -0.36 -0.25 0.00 0.00 175.52 174.98 2gj2 s PHE 27 N -3.16 3.37 0.55 4.73 0.40 -0.46 -4.95 117.98 118.45 2gj2 s PHE 27 Ca 0.09 0.88 0.23 0.00 -0.60 0.00 0.00 56.93 57.53 2gj2 s PHE 27 Cb 0.11 -2.76 1.45 0.00 0.51 0.00 0.00 43.02 42.33 2gj2 s PHE 27 CO 0.57 -0.16 2.10 -0.44 0.70 0.00 0.00 175.22 177.99 2gj2 h ASP 28 N 7.49 0.00 0.36 1.36 3.32 -1.88 -2.47 116.42 124.60 2gj2 h ASP 28 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2gj2 h ASP 28 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2gj2 h ASP 28 CO 0.76 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.63 2gj2 n THR 29 N -4.24 0.25 -3.41 0.35 -2.24 -1.26 -4.77 114.28 98.95 2gj2 n THR 29 Ca 0.02 0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 2gj2 n THR 29 Cb 0.31 -0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 67.76 2gj2 n THR 29 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2gj2 s VAL 30 N -2.48 5.18 -0.02 2.28 1.01 -0.93 0.10 120.40 125.54 2gj2 s VAL 30 Ca 0.23 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.04 2gj2 s VAL 30 Cb 0.15 -3.80 -0.15 0.00 0.00 0.00 0.00 36.38 32.57 2gj2 s VAL 30 CO 0.33 -0.07 1.02 -0.08 0.00 0.00 0.00 175.10 176.31 2gj2 h GLU 31 N 8.45 -0.34 -3.41 2.72 4.81 -1.63 -3.46 114.58 121.72 2gj2 h GLU 31 Ca -0.30 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2gj2 h GLU 31 Cb 1.15 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 2gj2 h GLU 31 CO 0.68 0.02 0.01 0.00 -0.73 0.00 0.00 179.01 178.99 2gj2 s ALA 32 N -4.26 -0.61 -0.04 2.92 0.00 -1.19 -5.02 121.76 113.56 2gj2 s ALA 32 Ca -0.13 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2gj2 s ALA 32 Cb 0.01 0.99 0.02 0.00 0.00 0.00 0.00 23.12 24.14 2gj2 s ALA 32 CO 0.49 -0.92 -0.04 0.08 0.00 0.00 0.00 175.76 175.37 2gj2 s VAL 33 N -3.98 0.45 0.04 0.00 1.01 -1.26 -0.82 120.40 115.84 2gj2 s VAL 33 Ca 0.18 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.13 2gj2 s VAL 33 Cb -0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 2gj2 s VAL 33 CO 0.08 0.20 -0.18 -0.13 0.00 0.00 0.00 175.10 175.06 2gj2 s ARG 34 N 0.83 1.26 -0.13 2.72 0.52 -0.57 -4.96 118.95 118.63 2gj2 s ARG 34 Ca -0.10 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 2gj2 s ARG 34 Cb -0.13 -1.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 2gj2 s ARG 34 CO -0.00 0.34 -0.03 0.21 0.02 0.00 0.00 175.30 175.84 2gj2 s LYS 35 N -1.07 3.42 0.34 3.54 2.20 -1.26 -0.39 119.74 126.51 2gj2 s LYS 35 Ca 0.06 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 2gj2 s LYS 35 Cb -0.08 -2.86 -0.11 0.00 -1.51 0.00 0.00 37.83 33.27 2gj2 s LYS 35 CO 0.01 0.40 1.48 0.45 -0.36 0.00 0.00 175.35 177.33 2gj2 s SER 36 N -0.05 6.44 0.02 1.43 0.15 -0.46 -4.88 113.70 116.35 2gj2 s SER 36 Ca 0.02 2.94 0.26 0.00 0.70 0.00 0.00 55.95 59.87 2gj2 s SER 36 Cb -0.13 -2.65 0.72 0.00 -1.71 0.00 0.00 66.02 62.25 2gj2 s SER 36 CO 0.02 -0.82 1.57 0.47 1.20 0.00 0.00 173.24 175.69 2gj2 n ASP 37 N 1.07 0.38 -0.04 5.45 8.00 -1.26 -3.76 116.55 126.39 2gj2 n ASP 37 Ca 0.03 0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.54 2gj2 n ASP 37 Cb 0.39 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.34 2gj2 n ASP 37 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2gj2 n LEU 38 N -1.58 0.38 -3.56 0.64 7.94 -1.26 -4.91 117.00 114.64 2gj2 n LEU 38 Ca 0.06 0.17 -0.15 0.00 -1.11 0.00 0.00 56.01 54.98 2gj2 n LEU 38 Cb 0.35 0.25 -0.13 0.00 0.53 0.00 0.00 43.42 44.42 2gj2 n LEU 38 CO 0.33 0.30 -0.15 -0.62 -1.11 0.00 0.00 177.39 176.13 2gj2 s ASP 39 N -5.50 0.75 0.61 1.96 3.68 -1.25 -5.04 116.67 111.89 2gj2 s ASP 39 Ca -0.07 0.23 0.33 0.00 2.13 0.00 0.00 52.55 55.17 2gj2 s ASP 39 Cb 0.08 0.61 1.90 0.00 -1.45 0.00 0.00 42.92 44.06 2gj2 s ASP 39 CO 0.84 -0.28 2.22 -0.78 0.13 0.00 0.00 175.17 177.30 2gj2 h ASP 40 N 8.29 0.00 1.28 -0.34 3.58 -1.91 -2.34 116.42 124.98 2gj2 h ASP 40 Ca -0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2gj2 h ASP 40 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2gj2 h ASP 40 CO 0.21 0.00 0.00 0.03 -2.88 0.00 0.00 179.24 176.60 2gj2 h ARG 41 N 0.00 0.00 -5.03 0.28 -0.00 -1.93 -3.44 114.38 104.26 2gj2 h ARG 41 Ca 0.02 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.87 2gj2 h ARG 41 Cb 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 29.97 29.96 2gj2 h ARG 41 CO -0.00 0.00 -0.56 0.08 0.00 0.00 0.00 179.97 179.49 2gj2 s VAL 42 N -3.28 4.87 0.14 2.04 1.01 -0.88 -2.46 120.40 121.83 2gj2 s VAL 42 Ca 0.06 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.14 2gj2 s VAL 42 Cb 0.09 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2gj2 s VAL 42 CO 0.54 0.34 -0.19 -0.31 0.00 0.00 0.00 175.10 175.48 2gj2 s TYR 43 N 1.30 1.77 -0.11 5.22 1.51 -0.13 -1.36 117.35 125.55 2gj2 s TYR 43 Ca 0.06 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2gj2 s TYR 43 Cb -0.15 -0.92 -0.02 0.00 -0.11 0.00 0.00 41.96 40.76 2gj2 s TYR 43 CO 0.05 0.27 -0.12 0.00 -1.11 0.00 0.00 175.55 174.64 2gj2 s MET 44 N -2.45 3.18 -0.27 -0.62 0.23 0.47 -0.50 119.30 119.34 2gj2 s MET 44 Ca 0.12 -0.66 -0.04 0.00 -1.03 0.00 0.00 55.69 54.08 2gj2 s MET 44 Cb -0.07 -2.60 0.02 0.00 -1.53 0.00 0.00 34.83 30.65 2gj2 s MET 44 CO 0.05 0.34 0.00 0.08 -2.03 0.00 0.00 175.02 173.46 2gj2 s VAL 45 N 0.04 3.29 0.01 5.16 1.01 0.33 -1.51 120.40 128.72 2gj2 s VAL 45 Ca -0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 2gj2 s VAL 45 Cb -0.14 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 2gj2 s VAL 45 CO 0.04 0.10 0.45 0.00 0.00 0.00 0.00 175.10 175.69 2gj2 s LEU 47 N -0.95 3.72 0.67 0.00 1.43 -1.26 -1.86 118.68 120.43 2gj2 s LEU 47 Ca 0.25 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 2gj2 s LEU 47 Cb -0.17 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 2gj2 s LEU 47 CO 0.14 0.15 1.02 0.29 0.23 0.00 0.00 176.35 178.18 2gj2 n LYS 48 N 0.28 0.74 -1.70 1.70 5.02 0.12 -4.62 118.16 119.69 2gj2 n LYS 48 Ca -0.09 0.30 -0.42 0.00 -2.02 0.00 0.00 58.31 56.08 2gj2 n LYS 48 Cb 0.52 -2.25 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 2gj2 n LYS 48 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2gj2 s GLN 49 N -3.13 4.13 0.00 1.97 0.74 -1.26 -2.04 119.66 120.07 2gj2 s GLN 49 Ca 0.76 2.62 0.00 0.00 0.05 0.00 0.00 55.36 58.79 2gj2 s GLN 49 Cb -0.38 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.19 2gj2 s GLN 49 CO 0.47 -0.84 0.00 0.41 -0.55 0.00 0.00 175.29 174.78 2gj2 n GLY 50 N 4.23 1.33 3.83 2.59 0.00 -1.26 -5.01 105.19 110.91 2gj2 n GLY 50 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.05 4.82 -0.14 1.61 0.01 -0.86 -5.07 113.70 111.02 2gj2 s SER 51 Ca 0.00 1.23 -0.00 0.00 1.31 0.00 0.00 55.95 58.49 2gj2 s SER 51 Cb 0.00 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.28 2gj2 s SER 51 CO 0.00 -1.75 -0.07 -0.89 0.41 0.00 0.00 173.24 170.94 2gj2 s THR 52 N -3.24 1.10 -0.10 1.44 2.01 -1.26 -4.57 115.64 111.02 2gj2 s THR 52 Ca 0.60 -0.46 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 2gj2 s THR 52 Cb -0.13 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 2gj2 s THR 52 CO 0.53 0.27 0.92 0.12 -0.69 0.00 0.00 174.62 175.77 2gj2 s PHE 53 N 1.66 3.52 -0.01 4.92 5.36 -0.72 -4.93 117.98 127.79 2gj2 s PHE 53 Ca 0.03 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 2gj2 s PHE 53 Cb -0.14 -3.08 0.02 0.00 -0.34 0.00 0.00 43.02 39.48 2gj2 s PHE 53 CO -0.08 -0.15 0.01 0.54 -1.46 0.00 0.00 175.22 174.08 2gj2 s VAL 54 N 1.72 0.02 -0.31 3.12 0.11 -1.26 -1.68 120.40 122.12 2gj2 s VAL 54 Ca 0.45 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.61 2gj2 s VAL 54 Cb -0.18 -0.09 0.08 0.00 -1.53 0.00 0.00 36.38 34.65 2gj2 s VAL 54 CO 0.18 0.06 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.25 2gj2 s LEU 55 N 0.56 4.16 0.39 2.54 1.43 0.43 -4.97 118.68 123.22 2gj2 s LEU 55 Ca -0.05 -1.70 0.08 0.00 -1.03 0.00 0.00 54.13 51.43 2gj2 s LEU 55 Cb -0.07 -1.63 0.78 0.00 0.03 0.00 0.00 46.19 45.30 2gj2 s LEU 55 CO -0.01 -0.30 1.95 0.78 0.23 0.00 0.00 176.35 178.99 2gj2 h ASN 56 N 7.78 0.33 0.50 2.29 4.21 -1.94 -0.60 115.58 128.15 2gj2 h ASN 56 Ca -0.14 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.32 2gj2 h ASN 56 Cb 1.04 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 2gj2 h ASN 56 CO 0.52 0.40 -0.14 0.61 -1.29 0.00 0.00 177.43 177.53 2gj2 n GLY 57 N -1.04 -1.09 2.28 2.83 0.00 -1.26 -3.69 105.19 103.22 2gj2 n GLY 57 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.35 -2.22 0.37 -0.02 0.00 -0.54 -3.33 105.19 100.79 2gj2 n GLY 58 Ca 0.12 -1.50 0.24 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.00 0.37 -0.97 -0.61 2.04 -1.87 0.60 117.51 117.06 2gj2 h ILE 59 Ca 0.00 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.83 2gj2 h ILE 59 Cb 0.00 -0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 35.98 2gj2 h ILE 59 CO 0.00 0.07 0.61 -0.33 0.00 0.00 0.00 178.15 178.50 2gj2 h GLU 60 N 0.36 0.99 -0.79 2.37 3.07 -1.92 0.32 114.58 118.98 2gj2 h GLU 60 Ca 0.70 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.46 2gj2 h GLU 60 Cb 1.66 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 29.31 2gj2 h GLU 60 CO -0.50 0.65 0.31 1.49 -1.40 0.00 0.00 179.01 179.56 2gj2 h GLU 61 N 1.02 1.19 -0.04 2.33 4.81 -0.87 -1.20 114.58 121.82 2gj2 h GLU 61 Ca 0.46 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2gj2 h GLU 61 Cb 0.37 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2gj2 h GLU 61 CO -0.23 0.97 -0.54 1.25 -0.73 0.00 0.00 179.01 179.72 2gj2 h LEU 62 N 1.15 0.11 -1.06 1.64 5.85 -1.29 -1.65 115.31 120.07 2gj2 h LEU 62 Ca 0.26 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2gj2 h LEU 62 Cb 0.23 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2gj2 h LEU 62 CO -0.02 0.64 -0.37 0.03 -0.34 0.00 0.00 178.44 178.37 2gj2 h ARG 63 N 0.08 0.18 0.03 1.25 3.08 -0.16 -2.14 114.38 116.70 2gj2 h ARG 63 Ca -0.00 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 2gj2 h ARG 63 Cb 0.99 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.04 2gj2 h ARG 63 CO 0.08 0.54 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.03 2gj2 h LEU 64 N 0.16 0.31 -1.10 3.04 3.38 -0.99 0.26 115.31 120.36 2gj2 h LEU 64 Ca 0.02 -0.84 0.02 0.00 0.09 0.00 0.00 57.88 57.17 2gj2 h LEU 64 Cb 0.74 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 2gj2 h LEU 64 CO 0.06 1.11 0.61 -0.07 0.09 0.00 0.00 178.44 180.24 2gj2 h LEU 65 N -0.46 1.03 0.00 1.67 3.38 -1.30 -2.73 115.31 116.90 2gj2 h LEU 65 Ca -0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2gj2 h LEU 65 Cb 1.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2gj2 h LEU 65 CO 0.08 0.73 -1.04 0.00 0.09 0.00 0.00 178.44 178.30 2gj2 h THR 66 N 1.21 0.19 0.00 0.22 1.03 -1.47 -3.49 112.91 110.61 2gj2 h THR 66 Ca 0.35 -1.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.39 2gj2 h THR 66 Cb -0.06 1.74 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 2gj2 h THR 66 CO -0.09 0.11 0.00 0.61 -0.01 0.00 0.00 175.52 176.14 2gj2 n GLY 67 N 1.24 0.90 3.38 2.99 0.00 0.05 -4.64 105.19 109.10 2gj2 n GLY 67 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.99 5.87 0.00 1.61 -1.08 -1.02 -4.95 116.67 114.11 2gj2 s ASP 68 Ca 0.00 -1.12 0.16 0.00 -0.52 0.00 0.00 52.55 51.07 2gj2 s ASP 68 Cb 0.00 -2.07 0.96 0.00 -1.46 0.00 0.00 42.92 40.35 2gj2 s ASP 68 CO 0.00 -0.47 1.61 -1.54 0.52 0.00 0.00 175.17 175.29 2gj2 n SER 69 N 5.05 0.00 -0.01 -0.34 3.41 -1.26 -2.44 113.62 118.04 2gj2 n SER 69 Ca -0.11 -1.47 0.09 0.00 -0.26 0.00 0.00 58.87 57.12 2gj2 n SER 69 Cb 0.45 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 2gj2 n SER 69 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2gj2 n THR 70 N -0.76 0.00 -1.48 6.66 -2.24 -1.26 -5.01 114.28 110.19 2gj2 n THR 70 Ca 0.12 -0.31 -0.58 0.00 -2.27 0.00 0.00 64.05 61.01 2gj2 n THR 70 Cb 0.06 0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.91 0.01 -4.16 3.22 -0.00 -1.02 -4.63 117.00 108.51 2gj2 n LEU 71 Ca -0.01 1.14 -0.10 0.00 -0.00 0.00 0.00 56.01 57.04 2gj2 n LEU 71 Cb 0.41 -0.91 -0.10 0.00 -0.00 0.00 0.00 43.42 42.82 2gj2 n LEU 71 CO 0.37 -1.87 -0.33 -1.61 -0.00 0.00 0.00 177.39 173.96 2gj2 s GLU 72 N 0.04 0.87 -0.03 1.96 0.41 0.18 -4.95 118.70 117.19 2gj2 s GLU 72 Ca 0.90 -1.39 0.03 0.00 -0.41 0.00 0.00 54.97 54.10 2gj2 s GLU 72 Cb -1.25 0.07 0.00 0.00 -1.78 0.00 0.00 34.13 31.17 2gj2 s GLU 72 CO 0.56 -0.16 -0.11 -1.50 -0.49 0.00 0.00 175.26 173.56 2gj2 s ILE 73 N -3.88 0.93 -0.29 -1.63 2.07 -1.26 -1.50 121.20 115.64 2gj2 s ILE 73 Ca 0.18 -0.44 0.01 0.00 -1.41 0.00 0.00 60.65 58.99 2gj2 s ILE 73 Cb 0.07 -0.82 0.08 0.00 0.13 0.00 0.00 42.46 41.93 2gj2 s ILE 73 CO -0.02 0.28 0.03 -1.58 -1.91 0.00 0.00 174.94 171.74 2gj2 s GLN 74 N 0.16 1.28 0.38 3.50 2.00 -0.48 -4.96 119.66 121.54 2gj2 s GLN 74 Ca -0.03 -1.28 -0.27 0.00 -2.00 0.00 0.00 55.36 51.78 2gj2 s GLN 74 Cb -0.09 -2.58 -0.11 0.00 0.80 0.00 0.00 33.01 31.03 2gj2 s GLN 74 CO 0.01 -0.82 1.27 -2.30 -0.50 0.00 0.00 175.29 172.94 2gj2 n PRO 75 N 4.60 1.99 0.25 1.67 -0.02 -1.26 -1.29 135.00 140.95 2gj2 n PRO 75 Ca -0.04 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 2gj2 n PRO 75 Cb 0.43 -2.34 0.48 0.00 -0.02 0.00 0.00 33.50 32.05 2gj2 n PRO 75 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2gj2 h MET 76 N 2.27 0.00 -3.03 -0.52 2.86 -1.54 -3.46 114.93 111.51 2gj2 h MET 76 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2gj2 h MET 76 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2gj2 h MET 76 CO 0.61 0.03 0.00 -0.89 1.06 0.00 0.00 176.91 177.72 2gj2 n ILE 77 N -3.12 0.00 -3.67 -1.22 -0.00 -1.26 -5.05 119.36 105.04 2gj2 n ILE 77 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.66 2gj2 n ILE 77 Cb 0.40 -0.92 -0.09 0.00 -0.00 0.00 0.00 39.64 39.03 2gj2 n ILE 77 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 2gj2 s VAL 78 N 0.00 -0.01 -0.49 1.39 1.01 -1.26 -5.11 120.40 115.93 2gj2 s VAL 78 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 2gj2 s VAL 78 Cb 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 2gj2 s VAL 78 CO 0.00 0.01 2.40 -2.84 0.00 0.00 0.00 175.10 174.67 2gj2 s PRO 79 N 0.89 2.11 0.00 2.72 0.02 -1.26 -5.09 135.00 134.39 2gj2 s PRO 79 Ca -0.05 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.37 2gj2 s PRO 79 Cb -0.05 -4.58 0.00 0.00 0.02 0.00 0.00 34.50 29.89 2gj2 s PRO 79 CO -0.07 -3.26 0.00 2.41 -0.33 0.00 0.00 177.00 175.74