#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xjz n GLY 25 N 0.00 0.00 0.13 -0.02 0.00 -1.26 -4.76 105.19 99.27 2xjz n GLY 25 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2xjz n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xjz n GLN 27 N -4.07 -5.67 0.00 0.00 6.02 -1.26 -5.25 117.38 107.14 2xjz n GLN 27 Ca -0.43 4.02 0.00 0.00 -0.01 0.00 0.00 57.00 60.58 2xjz n GLN 27 Cb 0.86 -4.50 0.00 0.00 1.02 0.00 0.00 30.24 27.62 2xjz n GLN 27 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2xjz n GLN 41 N 1.94 0.00 -3.78 -1.09 6.02 -1.26 -5.19 117.38 114.03 2xjz n GLN 41 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 2xjz n GLN 41 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 2xjz n GLN 41 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2xjz s TYR 42 N -2.51 3.60 0.00 1.08 1.51 -1.26 -5.04 117.35 114.73 2xjz s TYR 42 Ca 0.00 0.59 0.00 0.00 -1.01 0.00 0.00 57.07 56.66 2xjz s TYR 42 Cb 0.00 -2.00 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 2xjz s TYR 42 CO 0.00 0.66 -0.00 -1.58 -1.11 0.00 0.00 175.55 173.52 2xjz s TRP 43 N -1.19 0.02 0.67 2.71 0.51 -1.26 -3.26 118.94 117.14 2xjz s TRP 43 Ca 0.23 -0.01 -0.04 0.00 -2.12 0.00 0.00 56.10 54.16 2xjz s TRP 43 Cb -0.13 -0.01 0.07 0.00 -0.81 0.00 0.00 33.47 32.59 2xjz s TRP 43 CO 0.12 -0.00 0.95 -1.01 -0.51 0.00 0.00 176.95 176.50 2xjz s HIS 44 N -0.03 2.58 -0.10 -1.98 3.76 -1.26 -5.09 115.29 113.17 2xjz s HIS 44 Ca -0.00 0.16 -0.03 0.00 -0.15 0.00 0.00 55.06 55.04 2xjz s HIS 44 Cb -0.00 -3.08 -0.02 0.00 1.11 0.00 0.00 32.58 30.59 2xjz s HIS 44 CO -0.00 -1.37 0.05 0.93 -0.85 0.00 0.00 174.74 173.51 2xjz h GLU 45 N -0.44 0.00 0.00 1.40 5.08 -2.02 -3.40 114.58 115.20 2xjz h GLU 45 Ca -0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 2xjz h GLU 45 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2xjz h GLU 45 CO 0.53 0.08 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.11 2xjz h ASP 46 N -1.00 0.00 -0.27 1.42 3.32 -2.05 -3.31 116.42 114.54 2xjz h ASP 46 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2xjz h ASP 46 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2xjz h ASP 46 CO -0.00 0.07 -0.25 0.00 -1.72 0.00 0.00 179.24 177.35 2xjz n LEU 48 N -4.33 3.11 -3.90 0.00 4.77 -1.25 -4.96 117.00 110.45 2xjz n LEU 48 Ca -0.04 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 2xjz n LEU 48 Cb 0.44 -1.54 -0.17 0.00 -2.33 0.00 0.00 43.42 39.83 2xjz n LEU 48 CO 0.44 -0.75 -0.44 -0.94 -1.33 0.00 0.00 177.39 174.37 2xjz s SER 49 N 8.51 2.18 -0.32 -1.43 1.04 -1.25 -3.34 113.70 119.09 2xjz s SER 49 Ca 1.02 -0.30 -0.38 0.00 0.48 0.00 0.00 55.95 56.76 2xjz s SER 49 Cb -0.37 -0.82 -0.14 0.00 0.10 0.00 0.00 66.02 64.79 2xjz s SER 49 CO 0.36 -0.13 1.97 0.00 0.98 0.00 0.00 173.24 176.42 2xjz h ASP 51 N 9.57 0.00 0.00 0.00 3.32 -1.92 0.33 116.42 127.73 2xjz h ASP 51 Ca -0.36 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 2xjz h ASP 51 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 2xjz h ASP 51 CO 1.00 0.00 -1.79 -0.11 -1.72 0.00 0.00 179.24 176.61 2xjz n LEU 52 N -2.89 0.00 0.00 1.55 7.94 -1.26 -4.83 117.00 117.51 2xjz n LEU 52 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 2xjz n LEU 52 Cb 0.77 0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.80 2xjz n LEU 52 CO 0.11 0.07 -0.17 0.00 -1.11 0.00 0.00 177.39 176.30 2xjz n GLY 54 N 1.14 1.84 3.68 0.00 0.00 0.11 -4.95 105.19 107.01 2xjz n GLY 54 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2xjz n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xjz s ARG 56 N 2.22 4.26 -0.08 0.00 0.52 -1.25 -0.83 118.95 123.79 2xjz s ARG 56 Ca 0.49 1.95 -0.25 0.00 -0.52 0.00 0.00 55.73 57.40 2xjz s ARG 56 Cb -0.19 -3.67 -0.21 0.00 0.52 0.00 0.00 34.95 31.40 2xjz s ARG 56 CO 0.17 -0.64 0.96 1.25 0.02 0.00 0.00 175.30 177.06 2xjz h LEU 57 N 8.86 -0.04 -0.99 2.53 7.12 -1.84 -3.00 115.31 127.95 2xjz h LEU 57 Ca -0.36 -0.64 0.24 0.00 0.13 0.00 0.00 57.88 57.25 2xjz h LEU 57 Cb 1.17 0.01 -0.19 0.00 -0.53 0.00 0.00 40.66 41.12 2xjz h LEU 57 CO 0.92 0.66 -0.08 1.23 -0.13 0.00 0.00 178.44 181.04 2xjz h GLY 58 N -0.77 1.04 0.00 3.75 0.00 -1.86 -2.73 103.07 102.50 2xjz h GLY 58 Ca -0.00 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 2xjz h GLY 58 CO 0.01 -0.46 -0.21 0.83 0.00 0.00 0.00 176.54 176.70 2xjz h GLU 59 N 0.00 0.00 -6.06 4.80 5.08 -1.97 -3.44 114.58 113.00 2xjz h GLU 59 Ca 0.55 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.38 2xjz h GLU 59 Cb 1.04 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 2xjz h GLU 59 CO -0.97 0.87 1.32 0.08 -1.00 0.00 0.00 179.01 179.31 2xjz s VAL 60 N -2.17 3.80 0.00 3.13 1.01 -1.03 -4.87 120.40 120.27 2xjz s VAL 60 Ca -0.18 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2xjz s VAL 60 Cb -0.01 -4.83 0.00 0.00 0.00 0.00 0.00 36.38 31.54 2xjz s VAL 60 CO 0.59 -1.73 0.00 0.61 0.00 0.00 0.00 175.10 174.57 2xjz n GLY 61 N 6.72 -2.28 0.00 4.51 0.00 -1.26 -4.71 105.19 108.17 2xjz n GLY 61 Ca 0.31 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.87 2xjz n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xjz n ARG 62 N -0.94 0.93 -4.46 1.61 1.74 -1.26 -4.77 116.66 109.51 2xjz n ARG 62 Ca 0.00 -0.10 -0.26 0.00 -0.77 0.00 0.00 57.85 56.72 2xjz n ARG 62 Cb 0.00 -1.31 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 2xjz n ARG 62 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2xjz s ARG 63 N -2.85 1.30 0.12 5.56 0.52 -1.26 -5.13 118.95 117.22 2xjz s ARG 63 Ca -0.03 -1.12 0.09 0.00 -0.52 0.00 0.00 55.73 54.16 2xjz s ARG 63 Cb 0.10 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.98 2xjz s ARG 63 CO 0.61 0.38 -0.18 -1.17 0.02 0.00 0.00 175.30 174.96 2xjz s LEU 64 N -1.65 2.71 -0.12 2.53 2.96 -1.26 -4.72 118.68 119.13 2xjz s LEU 64 Ca 0.08 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.43 2xjz s LEU 64 Cb -0.10 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2xjz s LEU 64 CO 0.04 0.18 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.82 2xjz s TYR 65 N -1.16 2.83 -0.32 5.38 2.02 0.04 -4.96 117.35 121.18 2xjz s TYR 65 Ca 0.18 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 2xjz s TYR 65 Cb -0.11 -1.82 0.09 0.00 -0.40 0.00 0.00 41.96 39.72 2xjz s TYR 65 CO 0.10 -0.10 0.02 -0.47 -1.57 0.00 0.00 175.55 173.53 2xjz s TYR 66 N 0.14 3.55 0.00 2.71 5.04 -1.26 0.14 117.35 127.67 2xjz s TYR 66 Ca -0.06 -2.80 0.01 0.00 -2.44 0.00 0.00 57.07 51.79 2xjz s TYR 66 Cb -0.15 -2.67 -0.01 0.00 0.35 0.00 0.00 41.96 39.49 2xjz s TYR 66 CO 0.04 -0.93 -0.05 0.21 -1.34 0.00 0.00 175.55 173.48 2xjz s LYS 67 N 0.98 0.38 -1.17 4.97 2.47 -1.11 -4.84 119.74 121.43 2xjz s LYS 67 Ca 0.07 -0.26 -0.05 0.00 -1.56 0.00 0.00 55.97 54.17 2xjz s LYS 67 Cb -0.19 -0.33 0.04 0.00 -1.46 0.00 0.00 37.83 35.89 2xjz s LYS 67 CO -0.08 0.08 0.30 1.28 0.16 0.00 0.00 175.35 177.09 2xjz n LEU 68 N 2.71 -1.41 -0.01 5.43 4.77 -1.26 -0.62 117.00 126.59 2xjz n LEU 68 Ca -0.15 -0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2xjz n LEU 68 Cb 0.58 -2.14 -0.00 0.00 -2.33 0.00 0.00 43.42 39.52 2xjz n LEU 68 CO 0.25 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2xjz n GLY 69 N -1.03 0.38 3.25 -0.72 0.00 -1.26 -5.02 105.19 100.78 2xjz n GLY 69 Ca -0.07 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2xjz n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xjz s ARG 70 N -0.62 3.19 0.22 1.61 1.81 0.20 -5.08 118.95 120.29 2xjz s ARG 70 Ca 0.00 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 52.95 2xjz s ARG 70 Cb 0.00 -2.61 -0.09 0.00 -0.45 0.00 0.00 34.95 31.80 2xjz s ARG 70 CO 0.00 0.00 1.39 0.15 -0.68 0.00 0.00 175.30 176.17 2xjz s LYS 71 N 0.84 4.31 0.02 3.54 1.02 -1.26 -2.76 119.74 125.45 2xjz s LYS 71 Ca -0.05 2.20 0.01 0.00 0.02 0.00 0.00 55.97 58.15 2xjz s LYS 71 Cb -0.15 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2xjz s LYS 71 CO -0.01 -0.36 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.50 2xjz s LEU 72 N -0.16 2.20 0.76 3.17 1.43 0.37 -3.45 118.68 122.99 2xjz s LEU 72 Ca 0.59 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 2xjz s LEU 72 Cb -0.40 -0.05 0.04 0.00 0.03 0.00 0.00 46.19 45.82 2xjz s LEU 72 CO 0.40 -0.20 1.10 0.00 0.23 0.00 0.00 176.35 177.88 2xjz h ARG 74 N -0.89 0.42 0.37 0.00 2.43 -1.93 0.00 114.38 114.78 2xjz h ARG 74 Ca -0.46 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2xjz h ARG 74 Cb 1.26 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2xjz h ARG 74 CO 0.61 0.28 -0.34 -0.09 -1.51 0.00 0.00 179.97 178.92 2xjz h ARG 75 N 0.43 -0.70 -0.50 0.20 2.43 -1.99 0.13 114.38 114.39 2xjz h ARG 75 Ca 0.21 0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 2xjz h ARG 75 Cb 0.15 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2xjz h ARG 75 CO -0.17 -0.47 -0.02 -0.44 -1.51 0.00 0.00 179.97 177.37 2xjz h ASP 76 N -0.73 0.82 0.49 -3.80 3.32 -1.94 -0.77 116.42 113.81 2xjz h ASP 76 Ca -0.03 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 2xjz h ASP 76 Cb 0.65 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2xjz h ASP 76 CO -0.04 0.89 -0.31 0.22 -1.72 0.00 0.00 179.24 178.28 2xjz h TYR 77 N 0.78 -0.82 -0.68 4.55 5.03 -0.80 -2.71 116.97 122.32 2xjz h TYR 77 Ca 0.15 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 2xjz h TYR 77 Cb 0.49 0.30 -0.03 0.00 1.55 0.00 0.00 36.73 39.04 2xjz h TYR 77 CO 0.03 -0.48 0.31 -0.07 -1.32 0.00 0.00 178.16 176.63 2xjz h LEU 78 N -0.77 0.89 -1.28 2.82 4.07 -0.62 0.34 115.31 120.75 2xjz h LEU 78 Ca -0.06 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.76 2xjz h LEU 78 Cb 0.63 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2xjz h LEU 78 CO 0.05 0.77 0.03 0.03 -1.08 0.00 0.00 178.44 178.24 2xjz h ARG 79 N 0.97 0.52 0.05 1.13 3.08 -1.12 -1.26 114.38 117.75 2xjz h ARG 79 Ca 0.23 -0.10 -0.37 0.00 0.07 0.00 0.00 59.98 59.81 2xjz h ARG 79 Cb 0.13 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2xjz h ARG 79 CO -0.03 0.52 -2.17 1.28 -1.07 0.00 0.00 179.97 178.51 2xjz n LEU 80 N -4.31 2.62 0.00 3.04 4.32 -1.03 -4.74 117.00 116.91 2xjz n LEU 80 Ca 0.02 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2xjz n LEU 80 Cb 0.22 -0.99 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 2xjz n LEU 80 CO 0.38 0.80 0.09 0.49 -1.22 0.00 0.00 177.39 177.93 2xjz n PHE 81 N -3.58 0.00 -1.10 -1.77 3.72 0.12 -5.08 117.46 109.76 2xjz n PHE 81 Ca -0.40 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.69 2xjz n PHE 81 Cb 0.97 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.63 2xjz n PHE 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2xjz s GLY 82 N -0.53 1.67 -0.17 1.37 0.00 -0.48 -4.95 107.32 104.24 2xjz s GLY 82 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.98 2xjz s GLY 82 CO 0.00 0.70 0.04 1.62 0.00 0.00 0.00 173.10 175.46 2xjz s GLN 83 N -4.84 3.82 0.76 2.90 2.00 -1.26 -4.87 119.66 118.17 2xjz s GLN 83 Ca 0.63 -0.37 -0.08 0.00 -2.00 0.00 0.00 55.36 53.54 2xjz s GLN 83 Cb -0.19 -3.12 0.10 0.00 0.80 0.00 0.00 33.01 30.60 2xjz s GLN 83 CO 0.57 0.32 1.08 0.16 -0.50 0.00 0.00 175.29 176.92 2xjz s ASP 84 N 0.21 4.42 0.28 6.67 -4.77 -1.26 -4.37 116.67 117.85 2xjz s ASP 84 Ca 0.03 0.33 0.04 0.00 -3.30 0.00 0.00 52.55 49.65 2xjz s ASP 84 Cb -0.13 -0.82 -0.03 0.00 -1.09 0.00 0.00 42.92 40.85 2xjz s ASP 84 CO 0.01 -1.86 0.22 -0.83 0.70 0.00 0.00 175.17 173.41 2xjz s GLY 85 N -4.62 1.98 -0.19 2.12 0.00 -0.56 -4.98 107.32 101.08 2xjz s GLY 85 Ca 0.64 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2xjz s GLY 85 CO 0.46 -1.44 -0.18 -2.27 0.00 0.00 0.00 173.10 169.68 2xjz s LEU 86 N -3.29 2.24 0.12 0.66 2.96 -1.26 0.06 118.68 120.18 2xjz s LEU 86 Ca 0.40 -0.63 -0.31 0.00 -0.22 0.00 0.00 54.13 53.37 2xjz s LEU 86 Cb 0.04 -1.51 -0.10 0.00 0.50 0.00 0.00 46.19 45.12 2xjz s LEU 86 CO 0.22 -0.01 1.75 0.00 -1.32 0.00 0.00 176.35 176.99 2xjz h ALA 88 N 8.18 1.00 0.00 0.00 0.00 -1.24 -2.18 119.26 125.02 2xjz h ALA 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2xjz h ALA 88 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2xjz h ALA 88 CO 0.94 0.00 -0.59 0.45 0.00 0.00 0.00 179.25 180.06 2xjz n SER 89 N -3.00 1.25 -0.13 0.00 2.88 -1.26 -4.75 113.62 108.61 2xjz n SER 89 Ca -0.03 0.28 0.13 0.00 -1.33 0.00 0.00 58.87 57.92 2xjz n SER 89 Cb 0.08 -0.68 0.36 0.00 -0.75 0.00 0.00 64.21 63.23 2xjz n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xjz n ASP 91 N -1.02 -5.50 -4.96 0.00 2.03 -0.82 -4.98 116.55 101.30 2xjz n ASP 91 Ca 0.10 0.24 -0.23 0.00 0.52 0.00 0.00 54.79 55.43 2xjz n ASP 91 Cb 0.34 -3.87 -0.02 0.00 -0.72 0.00 0.00 41.12 36.85 2xjz n ASP 91 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2xjz s LYS 92 N -2.74 3.45 0.77 -0.67 1.02 -1.26 -4.80 119.74 115.50 2xjz s LYS 92 Ca 0.00 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 2xjz s LYS 92 Cb 0.00 -2.89 0.06 0.00 -0.52 0.00 0.00 37.83 34.47 2xjz s LYS 92 CO 0.00 0.44 1.11 1.03 -0.92 0.00 0.00 175.35 177.01 2xjz s ARG 93 N -3.80 2.16 -0.28 1.68 0.52 -1.26 -1.68 118.95 116.29 2xjz s ARG 93 Ca 0.35 1.30 0.02 0.00 -0.52 0.00 0.00 55.73 56.88 2xjz s ARG 93 Cb -0.10 -1.88 0.08 0.00 0.52 0.00 0.00 34.95 33.57 2xjz s ARG 93 CO 0.29 -1.73 -0.02 0.42 0.02 0.00 0.00 175.30 174.28 2xjz s ILE 94 N -2.70 1.83 0.61 1.52 1.01 0.11 -4.77 121.20 118.80 2xjz s ILE 94 Ca 0.64 -1.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 2xjz s ILE 94 Cb -0.19 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2xjz s ILE 94 CO 0.53 -0.29 1.29 0.54 0.00 0.00 0.00 174.94 177.01 2xjz n ARG 95 N 4.51 1.32 -0.35 2.79 1.74 -1.26 -1.49 116.66 123.92 2xjz n ARG 95 Ca -0.07 0.50 0.28 0.00 -0.77 0.00 0.00 57.85 57.79 2xjz n ARG 95 Cb 0.43 -2.52 0.59 0.00 -1.02 0.00 0.00 32.46 29.94 2xjz n ARG 95 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2xjz h ALA 96 N 0.87 2.52 -0.03 7.54 0.00 -1.84 -1.02 119.26 127.30 2xjz h ALA 96 Ca -0.51 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2xjz h ALA 96 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2xjz h ALA 96 CO 0.54 -0.95 -0.00 0.98 0.00 0.00 0.00 179.25 179.82 2xjz n TYR 97 N -4.54 0.00 -2.24 0.00 4.19 -1.26 -4.86 117.16 108.45 2xjz n TYR 97 Ca 0.28 0.00 -0.35 0.00 3.31 0.00 0.00 57.90 61.13 2xjz n TYR 97 Cb 1.06 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.89 2xjz n TYR 97 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 2xjz s GLU 98 N -2.00 3.39 0.10 2.98 2.02 -0.39 -4.99 118.70 119.81 2xjz s GLU 98 Ca 0.31 1.66 -0.30 0.00 0.02 0.00 0.00 54.97 56.65 2xjz s GLU 98 Cb 0.20 -2.06 -0.06 0.00 0.10 0.00 0.00 34.13 32.31 2xjz s GLU 98 CO 0.31 -0.83 1.06 -1.64 0.02 0.00 0.00 175.26 174.18 2xjz s MET 99 N -3.19 4.58 0.05 1.61 -1.94 -1.26 -4.96 119.30 114.20 2xjz s MET 99 Ca 0.72 1.60 0.02 0.00 -1.71 0.00 0.00 55.69 56.31 2xjz s MET 99 Cb -0.25 -3.35 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 2xjz s MET 99 CO 0.29 0.02 -0.08 0.99 -0.01 0.00 0.00 175.02 176.24 2xjz s THR 100 N 0.32 0.57 -0.30 2.05 2.01 -1.26 -2.51 115.64 116.52 2xjz s THR 100 Ca 0.51 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2xjz s THR 100 Cb -0.26 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.45 2xjz s THR 100 CO 0.31 -0.49 0.03 -0.04 -0.69 0.00 0.00 174.62 173.74 2xjz s MET 101 N -2.06 2.69 -0.13 4.92 -1.94 -0.01 -4.84 119.30 117.93 2xjz s MET 101 Ca -0.05 -1.10 -0.18 0.00 -1.71 0.00 0.00 55.69 52.64 2xjz s MET 101 Cb -0.07 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 2xjz s MET 101 CO -0.01 -0.55 0.46 1.03 -0.01 0.00 0.00 175.02 175.95 2xjz s ARG 102 N 1.35 4.31 -0.28 2.03 0.52 -1.26 -0.52 118.95 125.11 2xjz s ARG 102 Ca -0.02 0.41 -0.03 0.00 -0.52 0.00 0.00 55.73 55.57 2xjz s ARG 102 Cb -0.19 -3.45 0.09 0.00 0.52 0.00 0.00 34.95 31.92 2xjz s ARG 102 CO -0.00 0.12 0.11 0.08 0.02 0.00 0.00 175.30 175.63 2xjz s VAL 103 N 0.76 0.27 0.00 3.52 1.01 -0.08 -5.00 120.40 120.87 2xjz s VAL 103 Ca 0.25 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2xjz s VAL 103 Cb -0.15 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2xjz s VAL 103 CO 0.10 -0.62 0.00 0.29 0.00 0.00 0.00 175.10 174.86 2xjz n LYS 104 N 5.11 0.00 0.22 2.72 4.76 -1.26 -1.21 118.16 128.50 2xjz n LYS 104 Ca -0.05 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.51 2xjz n LYS 104 Cb 0.43 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.80 2xjz n LYS 104 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2xjz h ASP 105 N 0.00 0.00 -3.74 4.39 2.03 -2.03 -3.46 116.42 113.60 2xjz h ASP 105 Ca 0.00 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 2xjz h ASP 105 Cb 0.00 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.52 2xjz h ASP 105 CO 0.00 0.02 0.16 -0.54 -1.03 0.00 0.00 179.24 177.86 2xjz s LYS 106 N -3.21 3.66 0.00 4.15 1.02 -0.35 -5.12 119.74 119.89 2xjz s LYS 106 Ca 0.07 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.47 2xjz s LYS 106 Cb 0.05 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2xjz s LYS 106 CO 0.67 -0.18 -0.01 0.54 -0.92 0.00 0.00 175.35 175.45 2xjz s VAL 107 N -2.63 0.06 0.00 3.17 0.11 -1.26 -0.90 120.40 118.95 2xjz s VAL 107 Ca 0.50 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.49 2xjz s VAL 107 Cb -0.10 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.66 2xjz s VAL 107 CO 0.40 -0.02 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.74 2xjz s TYR 108 N -0.12 0.83 0.42 1.54 2.02 0.32 -0.67 117.35 121.69 2xjz s TYR 108 Ca -0.01 -0.19 -0.26 0.00 -0.37 0.00 0.00 57.07 56.24 2xjz s TYR 108 Cb -0.01 -0.53 -0.09 0.00 -0.40 0.00 0.00 41.96 40.93 2xjz s TYR 108 CO -0.00 -0.01 1.41 -1.01 -1.57 0.00 0.00 175.55 174.36 2xjz s HIS 109 N -0.33 2.59 0.26 2.71 3.76 -1.26 -0.82 115.29 122.19 2xjz s HIS 109 Ca 0.02 1.28 -0.03 0.00 -0.15 0.00 0.00 55.06 56.19 2xjz s HIS 109 Cb -0.04 -3.88 0.55 0.00 1.11 0.00 0.00 32.58 30.32 2xjz s HIS 109 CO -0.00 -2.72 1.67 1.25 -0.85 0.00 0.00 174.74 174.09 2xjz h LEU 110 N 2.59 0.00 -1.75 0.89 5.85 -1.81 0.21 115.31 121.28 2xjz h LEU 110 Ca -0.50 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2xjz h LEU 110 Cb 1.25 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2xjz h LEU 110 CO 0.62 -0.08 0.00 -0.08 -0.34 0.00 0.00 178.44 178.56 2xjz h GLU 111 N 0.25 0.00 0.00 1.25 4.57 -1.89 -1.99 114.58 116.78 2xjz h GLU 111 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 2xjz h GLU 111 Cb 0.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2xjz h GLU 111 CO -0.57 0.00 -0.57 0.00 -1.18 0.00 0.00 179.01 176.69 2xjz s PHE 113 N -3.16 2.74 0.02 0.00 5.36 -0.75 -4.88 117.98 117.30 2xjz s PHE 113 Ca 0.07 -1.52 -0.08 0.00 -0.96 0.00 0.00 56.93 54.44 2xjz s PHE 113 Cb 0.13 -4.73 -0.00 0.00 -0.34 0.00 0.00 43.02 38.08 2xjz s PHE 113 CO 0.71 -1.79 0.15 -1.59 -1.46 0.00 0.00 175.22 171.23 2xjz s LYS 114 N 4.35 0.57 0.11 10.12 -2.85 -1.26 -4.33 119.74 126.44 2xjz s LYS 114 Ca 0.54 -0.55 -0.31 0.00 -1.00 0.00 0.00 55.97 54.65 2xjz s LYS 114 Cb 0.04 0.23 -0.10 0.00 -2.06 0.00 0.00 37.83 35.94 2xjz s LYS 114 CO 0.07 -0.15 1.75 0.00 0.10 0.00 0.00 175.35 177.13 2xjz h ALA 116 N 8.37 2.27 -0.66 0.00 0.00 -0.83 0.23 119.26 128.63 2xjz h ALA 116 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2xjz h ALA 116 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2xjz h ALA 116 CO 0.94 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2xjz n ALA 117 N -2.58 0.00 1.28 0.00 0.00 -1.26 -4.57 120.51 113.38 2xjz n ALA 117 Ca 0.09 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.66 2xjz n ALA 117 Cb 0.48 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.54 2xjz n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xjz n GLN 119 N -1.21 -1.31 -2.25 0.00 6.02 0.82 -4.98 117.38 114.47 2xjz n GLN 119 Ca 0.12 0.63 -0.40 0.00 -0.01 0.00 0.00 57.00 57.33 2xjz n GLN 119 Cb 0.29 -4.75 -0.03 0.00 1.02 0.00 0.00 30.24 26.77 2xjz n GLN 119 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2xjz s LYS 120 N -2.18 4.46 0.30 -1.09 2.20 -1.26 -4.59 119.74 117.59 2xjz s LYS 120 Ca 0.00 2.06 -0.05 0.00 -0.36 0.00 0.00 55.97 57.61 2xjz s LYS 120 Cb 0.00 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 2xjz s LYS 120 CO 0.00 -0.04 0.58 -1.01 -0.36 0.00 0.00 175.35 174.52 2xjz s HIS 121 N -1.15 3.48 0.53 4.03 3.76 -1.26 -0.32 115.29 124.36 2xjz s HIS 121 Ca 0.47 0.67 0.07 0.00 -0.15 0.00 0.00 55.06 56.12 2xjz s HIS 121 Cb -0.37 -2.13 0.06 0.00 1.11 0.00 0.00 32.58 31.25 2xjz s HIS 121 CO 0.48 0.14 0.73 -0.06 -0.85 0.00 0.00 174.74 175.18 2xjz s PHE 122 N -2.13 2.11 0.16 1.40 0.08 -1.26 -4.97 117.98 113.38 2xjz s PHE 122 Ca 0.44 -0.47 0.10 0.00 0.12 0.00 0.00 56.93 57.12 2xjz s PHE 122 Cb -0.11 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2xjz s PHE 122 CO 0.30 -0.92 -0.21 0.00 -0.10 0.00 0.00 175.22 174.30 2xjz n VAL 124 N 0.42 0.30 0.00 0.00 0.31 -1.26 -1.41 118.33 116.70 2xjz n VAL 124 Ca -0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2xjz n VAL 124 Cb 0.56 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 2xjz n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2xjz n GLY 125 N 3.29 1.43 3.70 2.92 0.00 -1.26 -5.05 105.19 110.22 2xjz n GLY 125 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2xjz n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2xjz n ASP 126 N 0.00 1.50 -4.51 1.61 9.92 -0.50 -5.02 116.55 119.55 2xjz n ASP 126 Ca 0.00 0.72 -0.34 0.00 -0.53 0.00 0.00 54.79 54.64 2xjz n ASP 126 Cb 0.00 -1.52 -0.12 0.00 -0.64 0.00 0.00 41.12 38.84 2xjz n ASP 126 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2xjz s ARG 127 N -3.64 3.17 0.25 -1.24 0.52 -1.26 -5.00 118.95 111.75 2xjz s ARG 127 Ca 0.78 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 55.44 2xjz s ARG 127 Cb -0.34 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 2xjz s ARG 127 CO 0.45 0.44 0.16 1.52 0.02 0.00 0.00 175.30 177.89 2xjz s TYR 128 N -0.19 1.40 -0.03 -0.53 -0.85 -1.26 -2.48 117.35 113.41 2xjz s TYR 128 Ca 0.02 -1.42 0.04 0.00 -0.52 0.00 0.00 57.07 55.19 2xjz s TYR 128 Cb -0.13 -0.67 -0.01 0.00 0.38 0.00 0.00 41.96 41.53 2xjz s TYR 128 CO 0.03 -0.64 -0.15 -1.17 -1.52 0.00 0.00 175.55 172.09 2xjz s LEU 129 N -3.26 1.94 -0.39 -3.49 2.96 0.93 -4.94 118.68 112.43 2xjz s LEU 129 Ca 0.39 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.86 2xjz s LEU 129 Cb 0.06 -0.84 0.02 0.00 0.50 0.00 0.00 46.19 45.93 2xjz s LEU 129 CO 0.16 0.16 0.27 -0.22 -1.32 0.00 0.00 176.35 175.40 2xjz s LEU 130 N -0.11 4.95 -0.30 -0.68 2.96 -1.26 -1.57 118.68 122.67 2xjz s LEU 130 Ca 0.01 -0.88 -0.03 0.00 -0.22 0.00 0.00 54.13 53.01 2xjz s LEU 130 Cb -0.09 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.52 2xjz s LEU 130 CO 0.01 -0.41 0.02 -0.63 -1.32 0.00 0.00 176.35 174.01 2xjz s ILE 131 N 1.65 3.19 0.00 6.68 1.09 -0.61 -4.95 121.20 128.24 2xjz s ILE 131 Ca 0.04 -1.25 0.00 0.00 -1.10 0.00 0.00 60.65 58.34 2xjz s ILE 131 Cb -0.19 -2.79 0.00 0.00 -1.06 0.00 0.00 42.46 38.42 2xjz s ILE 131 CO 0.09 -0.07 0.00 0.59 -0.10 0.00 0.00 174.94 175.45 2xjz n ASN 132 N 4.68 0.00 -0.81 3.58 3.02 -1.26 -0.31 115.26 124.16 2xjz n ASN 132 Ca -0.14 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.49 2xjz n ASN 132 Cb 0.44 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.84 2xjz n ASN 132 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2xjz n SER 133 N 7.69 3.57 -4.79 6.41 3.41 -1.26 -4.98 113.62 123.66 2xjz n SER 133 Ca 0.00 -2.66 -0.38 0.00 -0.26 0.00 0.00 58.87 55.58 2xjz n SER 133 Cb 0.00 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 2xjz n SER 133 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2xjz s ASP 134 N -1.59 6.73 -0.28 4.04 1.01 0.58 -4.71 116.67 122.45 2xjz s ASP 134 Ca 0.36 0.87 -0.11 0.00 0.71 0.00 0.00 52.55 54.37 2xjz s ASP 134 Cb 0.26 -2.26 -0.05 0.00 1.01 0.00 0.00 42.92 41.89 2xjz s ASP 134 CO 0.11 0.19 0.21 -0.63 0.21 0.00 0.00 175.17 175.26 2xjz s ILE 135 N -0.35 5.30 -0.13 0.77 -1.09 -1.26 -1.57 121.20 122.86 2xjz s ILE 135 Ca 0.24 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 2xjz s ILE 135 Cb -0.16 -3.55 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2xjz s ILE 135 CO 0.11 0.25 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.26 2xjz s VAL 136 N 1.76 1.39 0.96 2.92 1.01 -0.61 -0.07 120.40 127.77 2xjz s VAL 136 Ca 0.08 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2xjz s VAL 136 Cb -0.16 -1.33 0.17 0.00 0.00 0.00 0.00 36.38 35.06 2xjz s VAL 136 CO 0.11 0.43 1.10 0.00 0.00 0.00 0.00 175.10 176.74 2xjz h GLU 138 N -1.95 -0.09 -0.53 0.00 5.08 -1.85 -2.63 114.58 112.60 2xjz h GLU 138 Ca -0.49 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 2xjz h GLU 138 Cb 1.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2xjz h GLU 138 CO 0.46 -0.06 0.35 1.96 -1.00 0.00 0.00 179.01 180.72 2xjz h GLN 139 N -0.10 0.56 -0.41 2.33 4.20 -1.93 -2.72 115.11 117.04 2xjz h GLN 139 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2xjz h GLN 139 Cb 0.25 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2xjz h GLN 139 CO -0.24 0.37 0.00 -0.25 -0.67 0.00 0.00 178.83 178.04 2xjz n ASP 140 N -4.47 2.79 -0.11 1.46 9.92 -1.02 -4.33 116.55 120.78 2xjz n ASP 140 Ca 0.06 -1.93 -0.10 0.00 -0.53 0.00 0.00 54.79 52.29 2xjz n ASP 140 Cb 0.17 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 2xjz n ASP 140 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2xjz h ILE 141 N 3.35 1.24 -0.03 0.53 2.04 -1.18 -1.14 117.51 122.31 2xjz h ILE 141 Ca 0.00 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.05 2xjz h ILE 141 Cb 0.75 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 2xjz h ILE 141 CO 0.00 0.28 -0.23 0.22 0.00 0.00 0.00 178.15 178.42 2xjz h TYR 142 N 0.37 -0.60 0.84 1.37 3.20 -1.79 -1.72 116.97 118.64 2xjz h TYR 142 Ca 0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2xjz h TYR 142 Cb 0.36 0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.91 2xjz h TYR 142 CO 0.03 -0.31 -0.40 0.93 -1.64 0.00 0.00 178.16 176.76 2xjz h GLU 143 N -0.34 -1.09 -0.65 1.82 5.08 -1.81 -2.15 114.58 115.44 2xjz h GLU 143 Ca 0.07 0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.67 2xjz h GLU 143 Cb 0.44 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2xjz h GLU 143 CO -0.23 -0.72 0.46 2.35 -1.00 0.00 0.00 179.01 179.87 2xjz h TRP 144 N -1.14 0.17 0.20 4.33 2.91 -1.14 0.16 115.95 121.43 2xjz h TRP 144 Ca -0.12 0.00 -0.32 0.00 1.13 0.00 0.00 58.89 59.59 2xjz h TRP 144 Cb 0.87 -0.05 0.04 0.00 -0.51 0.00 0.00 29.16 29.50 2xjz h TRP 144 CO -0.01 0.06 -1.37 1.15 -1.03 0.00 0.00 178.44 177.23 2xjz h THR 145 N 0.14 1.28 -0.45 2.65 2.02 -1.29 -2.54 112.91 114.72 2xjz h THR 145 Ca 0.32 -2.59 -0.04 0.00 0.77 0.00 0.00 66.41 64.87 2xjz h THR 145 Cb 1.05 2.89 -0.02 0.00 -1.74 0.00 0.00 68.15 70.33 2xjz h THR 145 CO -0.04 0.78 0.11 0.50 0.37 0.00 0.00 175.52 177.24 2xjz h LYS 146 N 0.20 0.71 0.47 6.66 3.64 -0.52 -3.26 116.57 124.48 2xjz h LYS 146 Ca -0.23 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2xjz h LYS 146 Cb 2.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 2xjz h LYS 146 CO 0.26 0.71 -0.22 0.82 -2.27 0.00 0.00 179.45 178.75 2xjz h ILE 147 N 0.59 0.48 -0.02 2.00 2.04 -0.85 -3.51 117.51 118.24 2xjz h ILE 147 Ca 0.14 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2xjz h ILE 147 Cb 0.32 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2xjz h ILE 147 CO 0.00 0.06 0.00 0.59 0.00 0.00 0.00 178.15 178.80