#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxx n GLU 21 N 0.00 0.00 -3.71 -2.82 0.28 -1.26 -4.93 120.64 108.20 2jxx n GLU 21 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 2jxx n GLU 21 Cb 0.00 -0.12 -0.08 0.00 1.43 0.00 0.00 31.44 32.67 2jxx n GLU 21 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2jxx n THR 22 N -2.25 2.56 -2.88 3.84 -1.04 -1.26 -5.00 114.28 108.24 2jxx n THR 22 Ca 0.00 -5.06 -0.42 0.00 -2.04 0.00 0.00 64.05 56.54 2jxx n THR 22 Cb 0.00 -2.29 0.01 0.00 -1.82 0.00 0.00 70.33 66.23 2jxx n THR 22 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jxx n SER 23 N 2.06 6.66 0.12 8.00 7.64 -1.26 -4.08 113.62 132.76 2jxx n SER 23 Ca 0.22 -3.52 -0.24 0.00 1.01 0.00 0.00 58.87 56.34 2jxx n SER 23 Cb 0.36 -1.20 -0.15 0.00 -1.01 0.00 0.00 64.21 62.20 2jxx n SER 23 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2jxx h GLN 24 N 4.91 0.48 -5.32 1.43 3.07 -1.98 -3.48 115.11 114.21 2jxx h GLN 24 Ca 0.32 -0.82 -0.40 0.00 0.09 0.00 0.00 58.65 57.84 2jxx h GLN 24 Cb 0.51 0.30 -0.19 0.00 0.08 0.00 0.00 27.48 28.18 2jxx h GLN 24 CO 1.26 1.39 -0.76 1.14 0.09 0.00 0.00 178.83 181.94 2jxx s GLN 25 N -2.60 0.92 -0.11 0.06 -2.07 -1.26 -1.93 119.66 112.68 2jxx s GLN 25 Ca -0.11 -1.12 -0.01 0.00 -1.82 0.00 0.00 55.36 52.30 2jxx s GLN 25 Cb 0.05 -0.81 -0.03 0.00 -1.09 0.00 0.00 33.01 31.13 2jxx s GLN 25 CO 0.92 0.16 -0.07 -0.51 -1.32 0.00 0.00 175.29 174.47 2jxx s LEU 26 N -2.19 3.12 -0.56 2.60 1.43 0.72 -4.81 118.68 118.99 2jxx s LEU 26 Ca 0.04 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 2jxx s LEU 26 Cb -0.06 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.51 2jxx s LEU 26 CO 0.02 0.27 0.79 -1.10 0.23 0.00 0.00 176.35 176.56 2jxx s GLN 27 N -0.24 3.17 -0.13 1.70 -1.52 -1.19 -1.99 119.66 119.46 2jxx s GLN 27 Ca 0.03 -0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 52.67 2jxx s GLN 27 Cb -0.13 -4.13 -0.03 0.00 -0.22 0.00 0.00 33.01 28.50 2jxx s GLN 27 CO 0.03 -1.45 -0.05 -0.51 -0.25 0.00 0.00 175.29 173.05 2jxx s LEU 28 N 3.30 3.21 -0.02 2.90 1.43 -0.70 -2.83 118.68 125.97 2jxx s LEU 28 Ca 0.20 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2jxx s LEU 28 Cb -0.17 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 2jxx s LEU 28 CO 0.13 0.23 0.34 -0.13 0.23 0.00 0.00 176.35 177.14 2jxx s ARG 29 N 0.00 3.77 -0.05 1.70 0.52 -1.07 -1.48 118.95 122.34 2jxx s ARG 29 Ca 0.00 0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 2jxx s ARG 29 Cb -0.13 -3.19 0.01 0.00 0.52 0.00 0.00 34.95 32.16 2jxx s ARG 29 CO 0.03 0.70 -0.11 0.08 0.02 0.00 0.00 175.30 176.01 2jxx s VAL 30 N -1.11 1.04 0.00 3.52 1.01 0.15 -0.46 120.40 124.56 2jxx s VAL 30 Ca 0.23 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2jxx s VAL 30 Cb -0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 2jxx s VAL 30 CO 0.12 0.32 -0.06 -1.10 0.00 0.00 0.00 175.10 174.38 2jxx s GLN 31 N 0.46 0.46 0.83 2.72 -0.21 -0.38 -1.01 119.66 122.52 2jxx s GLN 31 Ca -0.10 -0.30 -0.12 0.00 0.02 0.00 0.00 55.36 54.86 2jxx s GLN 31 Cb -0.13 -0.40 0.11 0.00 1.00 0.00 0.00 33.01 33.59 2jxx s GLN 31 CO 0.02 0.10 1.19 0.20 -2.12 0.00 0.00 175.29 174.68 2jxx s GLY 32 N -0.41 1.66 0.51 3.09 0.00 -0.77 -0.41 107.32 110.99 2jxx s GLY 32 Ca -0.00 -0.86 0.42 0.00 0.00 0.00 0.00 44.72 44.27 2jxx s GLY 32 CO -0.00 -0.31 1.61 0.07 0.00 0.00 0.00 173.10 174.47 2jxx h LYS 33 N -1.13 0.02 -5.13 2.90 2.10 -1.44 -3.17 116.57 110.72 2jxx h LYS 33 Ca -0.45 -0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.54 2jxx h LYS 33 Cb 1.30 -0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.47 2jxx h LYS 33 CO 0.57 0.01 -0.11 -1.83 -2.00 0.00 0.00 179.45 176.09 2jxx s GLU 34 N -5.03 3.49 0.57 0.07 1.03 -1.26 -4.98 118.70 112.60 2jxx s GLU 34 Ca -0.06 -0.33 0.36 0.00 0.03 0.00 0.00 54.97 54.97 2jxx s GLU 34 Cb 0.28 -3.84 1.60 0.00 -0.80 0.00 0.00 34.13 31.36 2jxx s GLU 34 CO 0.86 -0.68 2.07 1.57 -1.33 0.00 0.00 175.26 177.75 2jxx h LYS 35 N 8.54 0.00 0.00 -4.83 2.10 -1.93 -1.82 116.57 118.63 2jxx h LYS 35 Ca -0.28 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.34 2jxx h LYS 35 Cb 1.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2jxx h LYS 35 CO 0.77 0.01 -0.13 1.25 -2.00 0.00 0.00 179.45 179.35 2jxx h HIS 36 N 0.00 0.00 -0.92 0.07 2.76 -1.94 -3.37 115.15 111.76 2jxx h HIS 36 Ca -0.00 0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.66 2jxx h HIS 36 Cb 0.40 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.28 2jxx h HIS 36 CO 0.00 0.13 1.36 -1.14 -1.30 0.00 0.00 177.93 176.99 2jxx s GLN 37 N -4.53 3.28 -0.10 5.26 2.00 -0.69 -4.96 119.66 119.92 2jxx s GLN 37 Ca -0.04 -1.03 0.03 0.00 -2.00 0.00 0.00 55.36 52.33 2jxx s GLN 37 Cb 0.15 -5.30 -0.00 0.00 0.80 0.00 0.00 33.01 28.66 2jxx s GLN 37 CO 0.64 -2.67 -0.22 0.99 -0.50 0.00 0.00 175.29 173.53 2jxx s THR 38 N 6.72 2.22 -0.06 -0.34 2.01 -1.26 -1.85 115.64 123.09 2jxx s THR 38 Ca 0.55 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 2jxx s THR 38 Cb -0.01 -1.86 0.03 0.00 0.01 0.00 0.00 72.50 70.66 2jxx s THR 38 CO -0.03 0.55 0.01 -0.22 -0.69 0.00 0.00 174.62 174.25 2jxx s LEU 39 N 0.32 0.57 -0.30 4.42 1.98 -0.18 -5.00 118.68 120.48 2jxx s LEU 39 Ca -0.17 -0.05 -0.09 0.00 -2.89 0.00 0.00 54.13 50.93 2jxx s LEU 39 Cb -0.17 -0.36 -0.01 0.00 0.66 0.00 0.00 46.19 46.31 2jxx s LEU 39 CO 0.08 -0.19 0.13 -1.83 -1.89 0.00 0.00 176.35 172.65 2jxx s GLU 40 N 1.90 3.36 0.05 1.98 -1.05 -1.26 -0.67 118.70 123.00 2jxx s GLU 40 Ca 0.03 -0.70 0.08 0.00 -0.15 0.00 0.00 54.97 54.23 2jxx s GLU 40 Cb -0.12 -3.50 -0.03 0.00 -0.44 0.00 0.00 34.13 30.04 2jxx s GLU 40 CO -0.04 -0.38 -0.22 0.54 0.95 0.00 0.00 175.26 176.10 2jxx s VAL 41 N 1.60 1.78 -0.44 1.83 0.11 -0.55 -5.00 120.40 119.73 2jxx s VAL 41 Ca 0.05 -1.26 -0.21 0.00 -2.93 0.00 0.00 61.98 57.63 2jxx s VAL 41 Cb -0.17 -1.54 0.02 0.00 -1.53 0.00 0.00 36.38 33.17 2jxx s VAL 41 CO 0.05 0.23 0.67 -0.94 -3.33 0.00 0.00 175.10 171.79 2jxx s SER 42 N -1.22 6.34 -0.12 3.54 1.04 -1.26 -1.72 113.70 120.30 2jxx s SER 42 Ca 0.08 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.20 2jxx s SER 42 Cb -0.09 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 2jxx s SER 42 CO 0.02 -0.81 -0.05 -0.22 0.98 0.00 0.00 173.24 173.16 2jxx s LEU 43 N 2.91 3.22 0.34 2.42 2.96 -0.84 -5.00 118.68 124.70 2jxx s LEU 43 Ca 0.24 -0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 53.80 2jxx s LEU 43 Cb -0.14 -1.75 -0.09 0.00 0.50 0.00 0.00 46.19 44.72 2jxx s LEU 43 CO 0.20 0.25 1.10 -0.44 -1.32 0.00 0.00 176.35 176.14 2jxx s SER 44 N -0.14 6.93 0.51 3.68 0.01 -1.26 -0.20 113.70 123.23 2jxx s SER 44 Ca 0.02 2.23 0.21 0.00 1.31 0.00 0.00 55.95 59.72 2jxx s SER 44 Cb -0.13 -2.61 1.35 0.00 0.21 0.00 0.00 66.02 64.83 2jxx s SER 44 CO 0.03 -0.38 2.10 0.08 0.41 0.00 0.00 173.24 175.48 2jxx h ARG 45 N 3.13 0.00 -0.00 12.44 0.11 -1.70 -1.46 114.38 126.90 2jxx h ARG 45 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2jxx h ARG 45 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2jxx h ARG 45 CO 0.64 0.10 -0.79 -0.25 0.10 0.00 0.00 179.97 179.77 2jxx n ASP 46 N -4.08 0.81 -4.81 0.08 8.00 -1.26 -3.52 116.55 111.76 2jxx n ASP 46 Ca -0.03 -0.70 -0.38 0.00 0.71 0.00 0.00 54.79 54.39 2jxx n ASP 46 Cb 0.18 0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 41.91 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jxx s SER 47 N -2.99 7.00 0.77 -2.24 0.01 -0.55 -4.95 113.70 110.74 2jxx s SER 47 Ca 0.09 1.19 -0.12 0.00 1.31 0.00 0.00 55.95 58.42 2jxx s SER 47 Cb 0.17 -2.34 0.06 0.00 0.21 0.00 0.00 66.02 64.12 2jxx s SER 47 CO 0.80 0.28 1.14 -2.84 0.41 0.00 0.00 173.24 173.02 2jxx s PRO 48 N -1.05 2.07 0.56 12.44 0.02 -1.26 -4.24 135.00 143.53 2jxx s PRO 48 Ca 0.28 1.45 0.24 0.00 0.02 0.00 0.00 61.00 62.99 2jxx s PRO 48 Cb -0.19 -1.85 1.51 0.00 0.02 0.00 0.00 34.50 33.99 2jxx s PRO 48 CO 0.18 -1.83 2.13 -0.07 -0.33 0.00 0.00 177.00 177.08 2jxx h LEU 49 N -0.84 0.00 -1.20 -5.54 -0.00 -1.34 -3.00 115.31 103.39 2jxx h LEU 49 Ca -0.45 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.48 2jxx h LEU 49 Cb 1.26 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.87 2jxx h LEU 49 CO 0.49 0.00 0.56 0.07 -0.00 0.00 0.00 178.44 179.56 2jxx h LYS 50 N 0.00 0.97 0.00 1.13 2.10 -1.83 0.21 116.57 119.15 2jxx h LYS 50 Ca 0.07 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.54 2jxx h LYS 50 Cb 0.32 -0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 2jxx h LYS 50 CO -0.00 0.64 -0.59 0.00 -2.00 0.00 0.00 179.45 177.50 2jxx h THR 51 N 1.00 1.36 -0.29 0.07 1.03 -1.85 -0.88 112.91 113.35 2jxx h THR 51 Ca 0.35 -2.05 -0.12 0.00 -0.01 0.00 0.00 66.41 64.58 2jxx h THR 51 Cb 0.13 2.12 -0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2jxx h THR 51 CO -0.12 0.57 -0.28 0.25 -0.01 0.00 0.00 175.52 175.93 2jxx h LEU 52 N 0.00 0.76 -0.42 0.00 6.46 -1.44 -2.25 115.31 118.41 2jxx h LEU 52 Ca -0.01 -0.47 0.04 0.00 -0.12 0.00 0.00 57.88 57.33 2jxx h LEU 52 Cb 1.08 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 2jxx h LEU 52 CO 0.08 1.07 0.18 0.24 -0.62 0.00 0.00 178.44 179.38 2jxx h MET 53 N 0.46 0.35 -0.41 1.25 2.86 -0.71 -1.27 114.93 117.46 2jxx h MET 53 Ca 0.05 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2jxx h MET 53 Cb 0.85 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2jxx h MET 53 CO 0.07 0.23 0.01 1.03 1.06 0.00 0.00 176.91 179.32 2jxx h SER 54 N 0.36 0.61 -0.17 1.22 0.87 -1.18 -2.39 113.55 112.88 2jxx h SER 54 Ca 0.19 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2jxx h SER 54 Cb 0.14 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2jxx h SER 54 CO -0.17 0.67 -0.10 -0.74 -0.53 0.00 0.00 176.83 175.96 2jxx h HIS 55 N 0.61 0.42 0.75 2.24 6.17 -0.89 -2.48 115.15 121.97 2jxx h HIS 55 Ca 0.13 -0.11 -0.03 0.00 0.71 0.00 0.00 60.37 61.07 2jxx h HIS 55 Cb 0.37 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.19 2jxx h HIS 55 CO 0.02 0.69 -0.50 -0.92 0.71 0.00 0.00 177.93 177.93 2jxx h TYR 56 N 0.03 -1.33 -0.25 5.26 5.03 -1.06 -0.37 116.97 124.29 2jxx h TYR 56 Ca 0.04 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 2jxx h TYR 56 Cb 0.59 0.48 -0.01 0.00 1.55 0.00 0.00 36.73 39.34 2jxx h TYR 56 CO 0.07 -0.72 0.05 1.05 -1.32 0.00 0.00 178.16 177.28 2jxx h GLU 57 N -1.17 0.35 -0.13 1.82 4.11 -1.52 -1.80 114.58 116.23 2jxx h GLU 57 Ca -0.10 -0.05 -0.21 0.00 0.07 0.00 0.00 59.36 59.07 2jxx h GLU 57 Cb 0.95 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.14 2jxx h GLU 57 CO 0.08 0.34 -0.77 0.93 0.07 0.00 0.00 179.01 179.66 2jxx h GLU 58 N 0.35 0.69 -0.03 1.06 5.08 -1.44 0.42 114.58 120.70 2jxx h GLU 58 Ca 0.08 -0.56 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2jxx h GLU 58 Cb 0.16 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2jxx h GLU 58 CO -0.00 1.18 -0.01 0.00 -1.00 0.00 0.00 179.01 179.17 2jxx h ALA 59 N 0.66 0.02 -1.00 3.43 0.00 -0.18 -2.91 119.26 119.28 2jxx h ALA 59 Ca -0.05 0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 2jxx h ALA 59 Cb 1.38 0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.89 2jxx h ALA 59 CO 0.15 -0.50 0.67 0.00 0.00 0.00 0.00 179.25 179.57 2jxx n MET 60 N -5.11 2.27 -3.65 0.00 0.00 -1.06 -4.93 117.12 104.63 2jxx n MET 60 Ca -0.06 -3.03 -0.27 0.00 0.00 0.00 0.00 57.70 54.34 2jxx n MET 60 Cb 0.05 -2.18 -0.02 0.00 0.00 0.00 0.00 33.22 31.07 2jxx n MET 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jxx n GLY 61 N -1.14 -0.46 0.43 3.17 0.00 -1.10 -4.86 105.19 101.23 2jxx n GLY 61 Ca 0.60 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.74 2jxx n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jxx n LEU 62 N -3.78 1.26 -4.56 0.99 7.99 0.14 -4.86 117.00 114.17 2jxx n LEU 62 Ca 0.03 -0.63 -0.38 0.00 -0.01 0.00 0.00 56.01 55.03 2jxx n LEU 62 Cb 0.51 -0.16 -0.03 0.00 -0.11 0.00 0.00 43.42 43.63 2jxx n LEU 62 CO 0.61 0.31 1.99 -1.54 -1.51 0.00 0.00 177.39 177.25 2jxx n SER 63 N 0.19 2.54 0.00 -1.43 3.41 -0.51 -2.10 113.62 115.72 2jxx n SER 63 Ca 0.08 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 2jxx n SER 63 Cb 0.20 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 2jxx n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jxx n GLY 64 N 5.96 3.18 3.45 5.00 0.00 -1.26 -5.03 105.19 116.48 2jxx n GLY 64 Ca 0.35 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2jxx n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jxx s ARG 65 N 0.00 3.18 0.18 1.61 0.52 -0.89 -5.04 118.95 118.50 2jxx s ARG 65 Ca 0.00 -1.01 -0.22 0.00 -0.52 0.00 0.00 55.73 53.98 2jxx s ARG 65 Cb 0.00 -4.34 -0.08 0.00 0.52 0.00 0.00 34.95 31.05 2jxx s ARG 65 CO 0.00 -1.79 0.74 0.21 0.02 0.00 0.00 175.30 174.47 2jxx s LYS 66 N 3.77 4.41 0.18 3.54 2.20 -1.26 -4.84 119.74 127.74 2jxx s LYS 66 Ca 0.23 1.00 0.07 0.00 -0.36 0.00 0.00 55.97 56.91 2jxx s LYS 66 Cb -0.16 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2jxx s LYS 66 CO 0.07 0.50 -0.14 -0.48 -0.36 0.00 0.00 175.35 174.94 2jxx s LEU 67 N -1.48 2.52 0.54 5.43 -0.00 -1.26 -4.97 118.68 119.45 2jxx s LEU 67 Ca 0.38 -0.98 -0.06 0.00 -0.00 0.00 0.00 54.13 53.48 2jxx s LEU 67 Cb -0.20 -0.62 -0.01 0.00 -0.00 0.00 0.00 46.19 45.36 2jxx s LEU 67 CO 0.23 -0.18 0.85 -0.44 -0.00 0.00 0.00 176.35 176.81 2jxx s SER 68 N -3.12 5.94 -0.07 1.48 0.01 -0.84 -4.92 113.70 112.18 2jxx s SER 68 Ca 0.19 0.84 0.01 0.00 1.31 0.00 0.00 55.95 58.30 2jxx s SER 68 Cb -0.01 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.25 2jxx s SER 68 CO 0.05 -0.82 -0.08 -0.36 0.41 0.00 0.00 173.24 172.44 2jxx s PHE 69 N -2.88 1.18 0.13 2.43 0.40 -1.26 -1.73 117.98 116.25 2jxx s PHE 69 Ca 0.51 -0.45 0.09 0.00 -0.60 0.00 0.00 56.93 56.48 2jxx s PHE 69 Cb -0.10 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 2jxx s PHE 69 CO 0.45 -0.31 -0.22 -0.06 0.70 0.00 0.00 175.22 175.78 2jxx s PHE 70 N 1.09 1.96 -0.13 0.36 0.40 -0.97 -2.00 117.98 118.68 2jxx s PHE 70 Ca -0.07 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.81 2jxx s PHE 70 Cb -0.14 -1.04 0.05 0.00 0.51 0.00 0.00 43.02 42.39 2jxx s PHE 70 CO -0.01 0.29 0.05 0.12 0.70 0.00 0.00 175.22 176.36 2jxx s PHE 71 N -1.34 0.54 -1.71 0.36 5.36 -0.70 -0.60 117.98 119.90 2jxx s PHE 71 Ca 0.11 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2jxx s PHE 71 Cb -0.09 -0.79 0.00 0.00 -0.34 0.00 0.00 43.02 41.80 2jxx s PHE 71 CO 0.06 -0.44 0.00 -3.47 -1.46 0.00 0.00 175.22 169.90 2jxx n ASP 72 N 5.18 -5.23 0.00 6.13 2.03 -1.26 -1.11 116.55 122.29 2jxx n ASP 72 Ca -0.07 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2jxx n ASP 72 Cb 0.49 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.58 2jxx n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jxx n GLY 73 N -0.90 0.70 3.65 0.27 0.00 -1.26 -5.02 105.19 102.62 2jxx n GLY 73 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2jxx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxx s THR 74 N -2.90 4.77 -0.19 2.61 2.01 -0.27 -5.01 115.64 116.67 2jxx s THR 74 Ca 0.00 1.77 -0.29 0.00 0.31 0.00 0.00 61.69 63.48 2jxx s THR 74 Cb 0.00 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2jxx s THR 74 CO 0.00 -0.11 1.69 -0.75 -0.69 0.00 0.00 174.62 174.75 2jxx s LYS 75 N 2.96 3.80 -0.42 4.92 2.36 -1.26 -1.71 119.74 130.37 2jxx s LYS 75 Ca 0.39 1.79 -0.28 0.00 -2.55 0.00 0.00 55.97 55.33 2jxx s LYS 75 Cb -0.15 -4.07 0.02 0.00 -1.05 0.00 0.00 37.83 32.59 2jxx s LYS 75 CO 0.07 -1.30 1.04 -0.51 1.55 0.00 0.00 175.35 176.20 2jxx s LEU 76 N 5.30 3.84 0.21 5.43 1.43 -0.85 -4.93 118.68 129.11 2jxx s LEU 76 Ca 0.75 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 2jxx s LEU 76 Cb -0.27 -3.41 0.18 0.00 0.03 0.00 0.00 46.19 42.72 2jxx s LEU 76 CO 0.30 -1.06 1.53 -1.28 0.23 0.00 0.00 176.35 176.07 2jxx h SER 77 N 8.84 0.41 0.00 2.29 0.87 -1.93 -3.44 113.55 120.60 2jxx h SER 77 Ca -0.23 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2jxx h SER 77 Cb 1.07 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2jxx h SER 77 CO 1.06 0.92 0.00 0.61 -0.53 0.00 0.00 176.83 178.89 2jxx n GLY 78 N 0.30 1.46 0.73 5.77 0.00 -1.26 -4.97 105.19 107.22 2jxx n GLY 78 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 2jxx n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxx n ARG 79 N -0.01 2.89 -3.97 1.61 1.74 -1.26 -3.62 116.66 114.04 2jxx n ARG 79 Ca 0.00 -2.18 -0.32 0.00 -0.77 0.00 0.00 57.85 54.58 2jxx n ARG 79 Cb 0.00 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 2jxx n ARG 79 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jxx s GLU 80 N -1.18 3.28 0.19 5.56 1.03 -1.26 -5.00 118.70 121.33 2jxx s GLU 80 Ca 0.27 -0.45 0.02 0.00 0.03 0.00 0.00 54.97 54.84 2jxx s GLU 80 Cb 0.15 -2.97 -0.04 0.00 -0.80 0.00 0.00 34.13 30.48 2jxx s GLU 80 CO 0.17 0.63 0.34 -0.51 -1.33 0.00 0.00 175.26 174.56 2jxx s LEU 81 N -2.16 4.29 0.35 1.83 1.43 -1.26 -1.18 118.68 121.97 2jxx s LEU 81 Ca 0.29 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.68 2jxx s LEU 81 Cb -0.13 -2.99 0.64 0.00 0.03 0.00 0.00 46.19 43.74 2jxx s LEU 81 CO 0.21 -0.02 1.84 1.55 0.23 0.00 0.00 176.35 180.17 2jxx h PRO 82 N 1.81 0.34 -0.40 1.29 0.13 -1.74 -1.75 132.00 131.67 2jxx h PRO 82 Ca -0.49 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 64.50 2jxx h PRO 82 Cb 1.20 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2jxx h PRO 82 CO 0.66 0.50 0.05 0.00 -0.23 0.00 0.00 178.00 178.98 2jxx h ALA 83 N 1.52 1.34 -0.33 -0.56 0.00 -1.82 0.28 119.26 119.69 2jxx h ALA 83 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2jxx h ALA 83 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jxx h ALA 83 CO 0.03 0.46 -0.17 0.22 0.00 0.00 0.00 179.25 179.78 2jxx h ASP 84 N 0.59 0.73 0.93 0.00 3.58 -1.63 -3.13 116.42 117.48 2jxx h ASP 84 Ca 0.13 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 2jxx h ASP 84 Cb 0.30 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2jxx h ASP 84 CO 0.00 0.98 -0.16 -0.07 -2.88 0.00 0.00 179.24 177.11 2jxx h LEU 85 N 0.48 0.00 0.00 2.28 3.38 -1.21 -3.47 115.31 116.77 2jxx h LEU 85 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jxx h LEU 85 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jxx h LEU 85 CO 0.05 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2jxx n GLY 86 N 0.09 0.97 3.72 0.83 0.00 -0.90 -5.10 105.19 104.81 2jxx n GLY 86 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2jxx n GLY 86 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jxx s MET 87 N -0.29 1.10 0.00 1.61 -1.94 0.04 -5.02 119.30 114.80 2jxx s MET 87 Ca 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 2jxx s MET 87 Cb 0.00 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 35.04 2jxx s MET 87 CO 0.00 -2.30 0.00 -0.85 -0.01 0.00 0.00 175.02 171.86 2jxx n GLU 88 N -3.90 0.00 0.00 2.03 -0.00 -1.26 -4.65 120.64 112.86 2jxx n GLU 88 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.22 2jxx n GLU 88 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.00 2jxx n GLU 88 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2jxx n SER 89 N -1.83 0.26 -2.73 -1.84 7.64 -1.26 -3.75 113.62 110.12 2jxx n SER 89 Ca 0.00 -1.86 -0.08 0.00 1.01 0.00 0.00 58.87 57.94 2jxx n SER 89 Cb 0.00 -0.13 0.08 0.00 -1.01 0.00 0.00 64.21 63.15 2jxx n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jxx n GLY 90 N 0.32 0.17 0.00 0.23 0.00 -1.13 -3.20 105.19 101.58 2jxx n GLY 90 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2jxx n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jxx n ASP 91 N 0.78 0.00 -3.75 1.61 -0.08 -1.22 -4.92 116.55 108.97 2jxx n ASP 91 Ca 0.06 -0.86 -0.16 0.00 -1.51 0.00 0.00 54.79 52.31 2jxx n ASP 91 Cb 0.69 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.98 2jxx n ASP 91 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2jxx s LEU 92 N 0.00 0.85 0.16 -2.67 2.96 -1.26 -2.59 118.68 116.13 2jxx s LEU 92 Ca 0.00 0.04 0.11 0.00 -0.22 0.00 0.00 54.13 54.06 2jxx s LEU 92 Cb 0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 2jxx s LEU 92 CO 0.00 -0.16 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.00 2jxx s ILE 93 N 1.35 2.19 0.28 6.68 1.01 0.40 -4.77 121.20 128.33 2jxx s ILE 93 Ca -0.06 -1.88 0.10 0.00 0.00 0.00 0.00 60.65 58.81 2jxx s ILE 93 Cb -0.13 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2jxx s ILE 93 CO -0.03 -0.07 -0.02 -1.61 0.00 0.00 0.00 174.94 173.21 2jxx s GLU 94 N -2.42 2.21 -0.21 2.79 2.02 0.24 -1.25 118.70 122.08 2jxx s GLU 94 Ca 0.17 -1.50 -0.04 0.00 0.02 0.00 0.00 54.97 53.62 2jxx s GLU 94 Cb -0.08 -2.09 0.07 0.00 0.10 0.00 0.00 34.13 32.12 2jxx s GLU 94 CO 0.08 0.32 0.07 0.08 0.02 0.00 0.00 175.26 175.84 2jxx s VAL 95 N -2.37 0.23 -0.62 2.63 1.01 0.46 -2.30 120.40 119.43 2jxx s VAL 95 Ca 0.32 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2jxx s VAL 95 Cb -0.05 -0.89 0.16 0.00 0.00 0.00 0.00 36.38 35.60 2jxx s VAL 95 CO 0.19 -0.34 0.51 0.26 0.00 0.00 0.00 175.10 175.72 2jxx s TRP 96 N 1.98 3.51 0.00 5.22 0.52 -0.71 -1.14 118.94 128.32 2jxx s TRP 96 Ca 0.02 -2.04 0.00 0.00 0.02 0.00 0.00 56.10 54.10 2jxx s TRP 96 Cb -0.17 -3.56 0.00 0.00 -1.15 0.00 0.00 33.47 28.59 2jxx s TRP 96 CO -0.14 -0.96 0.00 0.41 0.02 0.00 0.00 176.95 176.28