#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 0.62 -3.91 -2.82 0.00 -1.26 -4.83 120.64 108.43 2jxx n GLU 21 Ca 0.00 0.16 -0.35 0.00 0.00 0.00 0.00 57.16 56.97 2jxx n GLU 21 Cb 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 31.44 29.81 2jxx n GLU 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2jxx s THR 22 N -2.50 3.48 -0.96 3.84 -4.23 -1.26 -5.06 115.64 108.96 2jxx s THR 22 Ca -0.34 -0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 59.46 2jxx s THR 22 Cb 0.10 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 71.25 2jxx s THR 22 CO 0.56 0.42 2.07 -0.44 -0.54 0.00 0.00 174.62 176.69 2jxx s SER 23 N 1.45 4.61 -0.09 3.99 0.01 -1.26 -4.71 113.70 117.71 2jxx s SER 23 Ca 0.05 -0.74 -0.26 0.00 1.31 0.00 0.00 55.95 56.31 2jxx s SER 23 Cb -0.14 -2.57 -0.25 0.00 0.21 0.00 0.00 66.02 63.27 2jxx s SER 23 CO -0.02 -3.33 0.93 0.06 0.41 0.00 0.00 173.24 171.29 2jxx h GLN 24 N 11.33 0.09 -5.22 12.44 -0.00 -1.98 -3.46 115.11 128.32 2jxx h GLN 24 Ca 0.09 -0.12 -0.37 0.00 -0.00 0.00 0.00 58.65 58.24 2jxx h GLN 24 Cb 0.99 0.04 -0.18 0.00 -0.00 0.00 0.00 27.48 28.32 2jxx h GLN 24 CO 1.14 0.94 -0.75 -0.65 -0.00 0.00 0.00 178.83 179.52 2jxx s GLN 25 N -2.78 0.93 -0.19 0.06 -0.21 -1.26 -3.09 119.66 113.12 2jxx s GLN 25 Ca -0.17 -1.18 -0.05 0.00 0.02 0.00 0.00 55.36 53.98 2jxx s GLN 25 Cb -0.01 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 33.24 2jxx s GLN 25 CO 0.72 0.13 -0.00 -0.51 -2.12 0.00 0.00 175.29 173.52 2jxx s LEU 26 N -2.39 3.30 -0.61 2.90 1.43 0.32 -4.89 118.68 118.74 2jxx s LEU 26 Ca 0.07 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.76 2jxx s LEU 26 Cb -0.04 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.40 2jxx s LEU 26 CO 0.02 0.09 0.98 -1.10 0.23 0.00 0.00 176.35 176.57 2jxx s GLN 27 N 0.84 3.23 -0.14 1.70 -1.52 -1.26 -1.43 119.66 121.08 2jxx s GLN 27 Ca 0.01 -0.50 -0.02 0.00 -1.95 0.00 0.00 55.36 52.90 2jxx s GLN 27 Cb -0.14 -4.14 -0.02 0.00 -0.22 0.00 0.00 33.01 28.49 2jxx s GLN 27 CO 0.02 -1.68 -0.06 -0.51 -0.25 0.00 0.00 175.29 172.81 2jxx s LEU 28 N 4.15 3.12 -0.43 2.90 1.43 -0.48 -0.82 118.68 128.54 2jxx s LEU 28 Ca 0.27 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 2jxx s LEU 28 Cb -0.14 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2jxx s LEU 28 CO 0.15 0.20 0.54 -0.13 0.23 0.00 0.00 176.35 177.34 2jxx s ARG 29 N 0.18 3.18 -0.21 1.70 0.52 -0.83 -1.82 118.95 121.67 2jxx s ARG 29 Ca -0.03 -0.57 -0.09 0.00 -0.52 0.00 0.00 55.73 54.51 2jxx s ARG 29 Cb -0.14 -3.96 -0.05 0.00 0.52 0.00 0.00 34.95 31.32 2jxx s ARG 29 CO 0.03 -0.94 0.12 0.08 0.02 0.00 0.00 175.30 174.62 2jxx s VAL 30 N 2.48 5.20 0.07 3.52 1.01 0.39 -1.48 120.40 131.58 2jxx s VAL 30 Ca 0.17 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.30 2jxx s VAL 30 Cb -0.16 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2jxx s VAL 30 CO 0.16 0.40 -0.09 -1.10 0.00 0.00 0.00 175.10 174.48 2jxx s GLN 31 N 0.68 0.70 0.61 2.72 -0.21 -0.49 -1.15 119.66 122.52 2jxx s GLN 31 Ca 0.07 -0.99 -0.02 0.00 0.02 0.00 0.00 55.36 54.44 2jxx s GLN 31 Cb -0.12 -0.41 0.12 0.00 1.00 0.00 0.00 33.01 33.59 2jxx s GLN 31 CO 0.01 0.06 0.83 0.41 -2.12 0.00 0.00 175.29 174.49 2jxx n GLY 32 N 0.94 0.42 0.22 3.09 0.00 -0.66 -0.20 105.19 109.00 2jxx n GLY 32 Ca -0.19 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 43.91 2jxx n GLY 32 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jxx h LYS 33 N 0.00 0.00 -5.89 1.61 2.10 -1.73 -3.39 116.57 109.26 2jxx h LYS 33 Ca -0.27 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.71 2jxx h LYS 33 Cb 0.97 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 31.99 2jxx h LYS 33 CO 0.28 0.00 -0.88 -1.83 -2.00 0.00 0.00 179.45 175.02 2jxx s GLU 34 N -3.48 2.40 0.21 0.07 1.03 -1.26 -5.04 118.70 112.64 2jxx s GLU 34 Ca -0.01 -0.85 0.24 0.00 0.03 0.00 0.00 54.97 54.37 2jxx s GLU 34 Cb 0.04 -2.05 0.92 0.00 -0.80 0.00 0.00 34.13 32.23 2jxx s GLU 34 CO 0.11 0.36 1.71 0.36 -1.33 0.00 0.00 175.26 176.48 2jxx n LYS 35 N 2.97 0.18 -0.03 -4.83 2.85 -1.26 -2.45 118.16 115.60 2jxx n LYS 35 Ca -0.17 0.33 -0.01 0.00 -1.05 0.00 0.00 58.31 57.41 2jxx n LYS 35 Cb 0.52 -1.80 0.27 0.00 -0.65 0.00 0.00 35.03 33.37 2jxx n LYS 35 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2jxx h HIS 36 N 0.00 0.61 -2.40 5.58 2.76 -1.96 -3.32 115.15 116.42 2jxx h HIS 36 Ca 0.00 -0.06 -0.71 0.00 -2.20 0.00 0.00 60.37 57.40 2jxx h HIS 36 Cb 0.45 -0.18 -0.18 0.00 1.55 0.00 0.00 27.41 29.06 2jxx h HIS 36 CO 0.00 0.59 0.95 -1.14 -1.30 0.00 0.00 177.93 177.03 2jxx s GLN 37 N -4.99 3.75 0.00 5.26 0.74 -1.03 -4.99 119.66 118.41 2jxx s GLN 37 Ca -0.08 -2.04 0.05 0.00 0.05 0.00 0.00 55.36 53.33 2jxx s GLN 37 Cb 0.15 -4.94 -0.01 0.00 1.10 0.00 0.00 33.01 29.31 2jxx s GLN 37 CO 0.77 -1.75 -0.14 0.99 -0.55 0.00 0.00 175.29 174.62 2jxx s THR 38 N 2.22 1.12 -0.01 -0.34 2.01 -1.25 -1.65 115.64 117.73 2jxx s THR 38 Ca 0.35 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2jxx s THR 38 Cb -0.04 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2jxx s THR 38 CO -0.07 0.24 0.08 -0.22 -0.69 0.00 0.00 174.62 173.96 2jxx s LEU 39 N -0.54 1.75 -0.21 4.42 2.96 -0.30 -5.02 118.68 121.73 2jxx s LEU 39 Ca 0.05 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 2jxx s LEU 39 Cb -0.06 0.36 0.04 0.00 0.50 0.00 0.00 46.19 47.03 2jxx s LEU 39 CO -0.00 -0.18 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.00 2jxx s GLU 40 N -0.64 2.64 0.11 1.98 2.12 -1.26 -0.47 118.70 123.18 2jxx s GLU 40 Ca -0.07 -1.04 0.09 0.00 0.36 0.00 0.00 54.97 54.31 2jxx s GLU 40 Cb -0.04 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 2jxx s GLU 40 CO 0.00 -0.37 -0.23 0.54 -0.54 0.00 0.00 175.26 174.67 2jxx s VAL 41 N 1.22 1.89 -0.46 3.70 0.11 -0.76 -4.96 120.40 121.14 2jxx s VAL 41 Ca -0.01 -1.62 -0.20 0.00 -2.93 0.00 0.00 61.98 57.22 2jxx s VAL 41 Cb -0.16 -1.71 0.03 0.00 -1.53 0.00 0.00 36.38 33.02 2jxx s VAL 41 CO -0.09 -0.01 0.65 -0.44 -3.33 0.00 0.00 175.10 171.87 2jxx s SER 42 N -1.96 6.29 -0.22 3.54 0.01 -1.26 -1.38 113.70 118.71 2jxx s SER 42 Ca 0.09 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 2jxx s SER 42 Cb -0.10 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2jxx s SER 42 CO 0.05 -0.83 0.06 -0.22 0.41 0.00 0.00 173.24 172.71 2jxx s LEU 43 N 2.83 3.54 0.46 2.44 2.96 -0.51 -4.94 118.68 125.45 2jxx s LEU 43 Ca 0.21 -0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.78 2jxx s LEU 43 Cb -0.15 -1.93 -0.08 0.00 0.50 0.00 0.00 46.19 44.53 2jxx s LEU 43 CO 0.17 0.04 1.09 -0.44 -1.32 0.00 0.00 176.35 175.89 2jxx s SER 44 N 1.17 6.34 0.53 3.68 0.01 -1.26 -0.52 113.70 123.65 2jxx s SER 44 Ca 0.04 2.10 0.22 0.00 1.31 0.00 0.00 55.95 59.62 2jxx s SER 44 Cb -0.14 -2.58 1.43 0.00 0.21 0.00 0.00 66.02 64.94 2jxx s SER 44 CO 0.03 -0.79 2.15 0.08 0.41 0.00 0.00 173.24 175.12 2jxx h ARG 45 N 1.95 0.00 0.00 12.44 0.11 -1.87 -1.79 114.38 125.22 2jxx h ARG 45 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2jxx h ARG 45 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2jxx h ARG 45 CO 0.60 0.05 -1.15 -0.25 0.10 0.00 0.00 179.97 179.32 2jxx n ASP 46 N -4.14 0.81 -4.74 0.08 8.00 -1.26 -4.06 116.55 111.23 2jxx n ASP 46 Ca -0.03 -0.77 -0.40 0.00 0.71 0.00 0.00 54.79 54.30 2jxx n ASP 46 Cb 0.14 1.19 -0.05 0.00 -0.02 0.00 0.00 41.12 42.38 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 -3.20 7.27 0.76 -2.24 0.01 -0.67 -4.99 113.70 110.64 2jxx s SER 47 Ca 0.04 1.52 -0.12 0.00 1.31 0.00 0.00 55.95 58.70 2jxx s SER 47 Cb 0.15 -2.49 0.05 0.00 0.21 0.00 0.00 66.02 63.94 2jxx s SER 47 CO 0.83 0.01 1.12 -2.84 0.41 0.00 0.00 173.24 172.76 2jxx s PRO 48 N -0.09 2.23 0.51 12.44 0.02 -1.26 -4.31 135.00 144.53 2jxx s PRO 48 Ca 0.40 1.34 0.24 0.00 0.02 0.00 0.00 61.00 63.00 2jxx s PRO 48 Cb -0.21 -1.88 1.34 0.00 0.02 0.00 0.00 34.50 33.77 2jxx s PRO 48 CO 0.24 -1.69 1.97 -0.07 -0.33 0.00 0.00 177.00 177.13 2jxx h LEU 49 N -0.82 0.07 -1.57 -5.54 -0.00 -0.79 -2.30 115.31 104.37 2jxx h LEU 49 Ca -0.45 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.50 2jxx h LEU 49 Cb 1.25 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.86 2jxx h LEU 49 CO 0.51 0.04 0.38 0.07 -0.00 0.00 0.00 178.44 179.44 2jxx h LYS 50 N 0.08 0.51 -0.08 1.13 5.09 -1.44 0.69 116.57 122.55 2jxx h LYS 50 Ca 0.29 -0.03 -0.15 0.00 0.09 0.00 0.00 60.65 60.86 2jxx h LYS 50 Cb 1.06 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 33.26 2jxx h LYS 50 CO -0.02 0.34 -0.59 0.00 -2.09 0.00 0.00 179.45 177.08 2jxx h THR 51 N 0.53 1.38 -0.39 0.07 1.03 -1.71 -0.73 112.91 113.08 2jxx h THR 51 Ca 0.25 -1.95 -0.11 0.00 -0.01 0.00 0.00 66.41 64.59 2jxx h THR 51 Cb 0.32 1.97 -0.01 0.00 -1.07 0.00 0.00 68.15 69.36 2jxx h THR 51 CO -0.07 0.58 -0.20 0.25 -0.01 0.00 0.00 175.52 176.07 2jxx h LEU 52 N 0.20 0.85 -0.23 0.00 6.46 -1.40 -1.23 115.31 119.95 2jxx h LEU 52 Ca -0.00 -0.41 0.02 0.00 -0.12 0.00 0.00 57.88 57.37 2jxx h LEU 52 Cb 1.09 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.77 2jxx h LEU 52 CO 0.09 1.07 0.10 0.24 -0.62 0.00 0.00 178.44 179.32 2jxx h MET 53 N 0.63 0.21 -0.71 1.25 2.86 -0.77 -1.32 114.93 117.08 2jxx h MET 53 Ca 0.09 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2jxx h MET 53 Cb 0.75 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 2jxx h MET 53 CO 0.06 0.14 0.27 1.03 1.06 0.00 0.00 176.91 179.47 2jxx h SER 54 N 0.21 0.97 0.01 1.22 0.87 -1.11 -2.34 113.55 113.38 2jxx h SER 54 Ca 0.10 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2jxx h SER 54 Cb 0.05 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2jxx h SER 54 CO -0.09 0.87 -0.00 -0.74 -0.53 0.00 0.00 176.83 176.34 2jxx h HIS 55 N 1.03 -0.01 0.36 2.24 6.17 -0.92 -2.19 115.15 121.84 2jxx h HIS 55 Ca 0.24 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.32 2jxx h HIS 55 Cb 0.21 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.12 2jxx h HIS 55 CO 0.02 0.14 -0.37 -0.92 0.71 0.00 0.00 177.93 177.51 2jxx h TYR 56 N -0.16 -1.02 -0.48 5.26 3.20 -1.03 -0.69 116.97 122.04 2jxx h TYR 56 Ca -0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2jxx h TYR 56 Cb 0.16 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2jxx h TYR 56 CO -0.03 -0.52 0.04 1.05 -1.64 0.00 0.00 178.16 177.06 2jxx h GLU 57 N -0.76 0.83 -0.63 1.82 4.11 -1.50 -2.92 114.58 115.53 2jxx h GLU 57 Ca -0.02 -0.25 -0.05 0.00 0.07 0.00 0.00 59.36 59.11 2jxx h GLU 57 Cb 0.69 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2jxx h GLU 57 CO -0.07 0.86 0.18 0.93 0.07 0.00 0.00 179.01 180.97 2jxx h GLU 58 N 0.69 0.97 0.00 1.06 4.39 -1.37 0.25 114.58 120.58 2jxx h GLU 58 Ca 0.14 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2jxx h GLU 58 Cb 0.46 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2jxx h GLU 58 CO 0.02 0.85 -0.17 0.00 -1.16 0.00 0.00 179.01 178.54 2jxx h ALA 59 N 1.26 -0.21 -0.94 3.43 0.00 -0.93 -3.10 119.26 118.77 2jxx h ALA 59 Ca 0.21 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.54 2jxx h ALA 59 Cb 0.29 0.30 -0.29 0.00 0.00 0.00 0.00 17.79 18.09 2jxx h ALA 59 CO -0.01 -0.66 0.63 -1.33 0.00 0.00 0.00 179.25 177.88 2jxx n MET 60 N -5.30 2.53 -3.70 0.00 2.81 -1.16 -4.93 117.12 107.36 2jxx n MET 60 Ca -0.05 -3.24 -0.28 0.00 -1.81 0.00 0.00 57.70 52.32 2jxx n MET 60 Cb 0.22 -2.22 -0.01 0.00 -0.71 0.00 0.00 33.22 30.51 2jxx n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jxx n GLY 61 N -1.00 -0.48 1.84 3.03 0.00 -1.17 -4.88 105.19 102.52 2jxx n GLY 61 Ca 0.59 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.56 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 -4.07 5.99 -4.57 0.99 7.99 0.88 -4.95 117.00 119.26 2jxx n LEU 62 Ca 0.02 -3.12 -0.40 0.00 -0.01 0.00 0.00 56.01 52.51 2jxx n LEU 62 Cb 0.52 -0.90 -0.03 0.00 -0.11 0.00 0.00 43.42 42.90 2jxx n LEU 62 CO 0.65 1.07 1.73 -0.44 -1.51 0.00 0.00 177.39 178.89 2jxx s SER 63 N -0.14 5.29 0.00 -1.43 0.01 -1.25 -2.10 113.70 114.08 2jxx s SER 63 Ca 0.34 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2jxx s SER 63 Cb 0.27 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2jxx s SER 63 CO 0.02 -2.22 0.00 0.61 0.41 0.00 0.00 173.24 172.06 2jxx n GLY 64 N 5.70 2.97 3.38 3.44 0.00 -1.26 -4.96 105.19 114.46 2jxx n GLY 64 Ca 0.27 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 2jxx n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxx n ARG 65 N 0.00 3.38 -2.76 1.61 5.12 -0.89 -5.01 116.66 118.11 2jxx n ARG 65 Ca 0.00 -3.73 -0.37 0.00 -1.93 0.00 0.00 57.85 51.82 2jxx n ARG 65 Cb 0.00 -3.07 -0.06 0.00 -1.16 0.00 0.00 32.46 28.16 2jxx n ARG 65 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2jxx s LYS 66 N 1.68 4.54 0.23 5.56 2.20 -1.26 -4.77 119.74 127.93 2jxx s LYS 66 Ca 0.44 1.34 0.11 0.00 -0.36 0.00 0.00 55.97 57.50 2jxx s LYS 66 Cb -0.00 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.51 2jxx s LYS 66 CO 0.01 0.24 -0.21 -0.48 -0.36 0.00 0.00 175.35 174.55 2jxx s LEU 67 N -2.13 2.51 0.52 5.43 -0.00 -1.26 -5.04 118.68 118.71 2jxx s LEU 67 Ca 0.51 -0.95 -0.18 0.00 -0.00 0.00 0.00 54.13 53.52 2jxx s LEU 67 Cb -0.19 -1.07 -0.07 0.00 -0.00 0.00 0.00 46.19 44.86 2jxx s LEU 67 CO 0.24 0.05 1.01 -0.44 -0.00 0.00 0.00 176.35 177.21 2jxx s SER 68 N -3.08 6.35 -0.11 1.48 0.01 -1.01 -4.91 113.70 112.44 2jxx s SER 68 Ca 0.24 1.73 0.02 0.00 1.31 0.00 0.00 55.95 59.25 2jxx s SER 68 Cb -0.06 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.65 2jxx s SER 68 CO 0.12 -0.77 -0.15 -0.36 0.41 0.00 0.00 173.24 172.48 2jxx s PHE 69 N -2.39 1.92 0.03 2.43 0.40 -1.26 -1.54 117.98 117.58 2jxx s PHE 69 Ca 0.62 -0.89 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 2jxx s PHE 69 Cb -0.13 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 2jxx s PHE 69 CO 0.28 -0.46 -0.20 -0.06 0.70 0.00 0.00 175.22 175.48 2jxx s PHE 70 N 0.98 1.78 -0.31 0.36 0.40 -1.00 -2.53 117.98 117.67 2jxx s PHE 70 Ca -0.07 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 2jxx s PHE 70 Cb -0.15 -1.08 0.08 0.00 0.51 0.00 0.00 43.02 42.38 2jxx s PHE 70 CO -0.01 0.06 -0.01 0.12 0.70 0.00 0.00 175.22 176.07 2jxx s PHE 71 N -0.72 3.48 -1.48 0.36 5.36 -0.43 0.02 117.98 124.58 2jxx s PHE 71 Ca 0.07 -2.54 0.00 0.00 -0.96 0.00 0.00 56.93 53.50 2jxx s PHE 71 Cb -0.08 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 2jxx s PHE 71 CO 0.01 -0.90 0.00 -3.47 -1.46 0.00 0.00 175.22 169.40 2jxx n ASP 72 N 4.40 -4.82 0.00 6.13 2.03 -1.26 -1.38 116.55 121.65 2jxx n ASP 72 Ca -0.06 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2jxx n ASP 72 Cb 0.42 -4.09 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 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 -0.81 0.77 3.66 0.27 0.00 -1.26 -5.05 105.19 102.76 2jxx n GLY 73 Ca -0.19 0.00 -0.43 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 -2.93 4.59 -0.26 2.61 2.01 -0.48 -5.00 115.64 116.19 2jxx s THR 74 Ca 0.00 1.91 -0.29 0.00 0.31 0.00 0.00 61.69 63.62 2jxx s THR 74 Cb 0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2jxx s THR 74 CO 0.00 -0.20 1.58 -0.75 -0.69 0.00 0.00 174.62 174.56 2jxx s LYS 75 N 3.31 3.74 -0.10 4.92 2.47 -1.26 -1.32 119.74 131.50 2jxx s LYS 75 Ca 0.46 1.53 -0.26 0.00 -1.56 0.00 0.00 55.97 56.14 2jxx s LYS 75 Cb -0.16 -4.03 -0.02 0.00 -1.46 0.00 0.00 37.83 32.16 2jxx s LYS 75 CO 0.09 -1.35 0.86 -0.51 0.16 0.00 0.00 175.35 174.59 2jxx s LEU 76 N 5.30 4.26 0.03 5.43 1.43 -1.05 -4.97 118.68 129.10 2jxx s LEU 76 Ca 0.70 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 2jxx s LEU 76 Cb -0.23 -3.31 -0.27 0.00 0.03 0.00 0.00 46.19 42.41 2jxx s LEU 76 CO 0.29 -0.31 0.95 0.28 0.23 0.00 0.00 176.35 177.79 2jxx h SER 77 N 7.05 0.32 0.00 2.29 0.02 -1.94 -3.45 113.55 117.85 2jxx h SER 77 Ca -0.35 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 2jxx h SER 77 Cb 1.17 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2jxx h SER 77 CO 0.80 1.34 0.00 0.61 -1.14 0.00 0.00 176.83 178.44 2jxx n GLY 78 N 1.59 2.95 0.24 -3.77 0.00 -1.26 -4.97 105.19 99.98 2jxx n GLY 78 Ca -0.13 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 1.32 -2.61 1.61 1.74 -1.26 -1.24 116.66 116.21 2jxx n ARG 79 Ca 0.00 -0.48 -0.35 0.00 -0.77 0.00 0.00 57.85 56.25 2jxx n ARG 79 Cb 0.00 -1.27 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.88 4.09 0.29 5.56 1.03 -1.26 -4.85 118.70 121.68 2jxx s GLU 80 Ca 0.24 1.38 0.06 0.00 0.03 0.00 0.00 54.97 56.68 2jxx s GLU 80 Cb 0.12 -2.35 -0.02 0.00 -0.80 0.00 0.00 34.13 31.08 2jxx s GLU 80 CO 0.18 -0.19 0.41 -0.51 -1.33 0.00 0.00 175.26 173.83 2jxx s LEU 81 N -2.96 4.13 0.52 1.83 1.43 -1.26 -1.03 118.68 121.34 2jxx s LEU 81 Ca 0.61 -0.07 0.29 0.00 -1.03 0.00 0.00 54.13 53.93 2jxx s LEU 81 Cb -0.18 -2.80 1.39 0.00 0.03 0.00 0.00 46.19 44.64 2jxx s LEU 81 CO 0.22 -0.26 2.03 1.55 0.23 0.00 0.00 176.35 180.12 2jxx h PRO 82 N 1.03 0.00 -0.15 1.29 0.13 -1.76 -1.45 132.00 131.10 2jxx h PRO 82 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2jxx h PRO 82 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2jxx h PRO 82 CO 0.57 0.12 -0.34 0.00 -0.23 0.00 0.00 178.00 178.12 2jxx h ALA 83 N 1.88 1.15 0.01 -0.56 0.00 -1.82 0.14 119.26 120.07 2jxx h ALA 83 Ca -0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2jxx h ALA 83 Cb 0.43 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jxx h ALA 83 CO 0.02 0.55 -0.27 0.22 0.00 0.00 0.00 179.25 179.77 2jxx h ASP 84 N 0.26 0.22 0.93 0.00 3.58 -1.64 -3.23 116.42 116.53 2jxx h ASP 84 Ca 0.03 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.67 2jxx h ASP 84 Cb 0.73 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2jxx h ASP 84 CO 0.06 1.01 0.00 -0.07 -2.88 0.00 0.00 179.24 177.35 2jxx h LEU 85 N -0.55 0.00 0.22 2.28 3.38 -1.48 -3.47 115.31 115.69 2jxx h LEU 85 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jxx h LEU 85 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2jxx h LEU 85 CO 0.05 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.15 2jxx n GLY 86 N 0.28 0.33 3.92 0.83 0.00 -0.86 -5.06 105.19 104.63 2jxx n GLY 86 Ca 0.03 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.77 2.40 0.25 1.61 -1.94 0.44 -5.02 119.30 113.28 2jxx s MET 87 Ca 0.00 -0.08 -0.17 0.00 -1.71 0.00 0.00 55.69 53.73 2jxx s MET 87 Cb 0.00 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.70 2jxx s MET 87 CO 0.00 -1.14 0.59 -2.00 -0.01 0.00 0.00 175.02 172.46 2jxx s GLU 88 N -5.24 1.63 -0.21 2.03 2.12 -1.26 -4.62 118.70 113.15 2jxx s GLU 88 Ca 0.59 -1.09 -0.31 0.00 0.36 0.00 0.00 54.97 54.52 2jxx s GLU 88 Cb -0.11 0.54 -0.08 0.00 0.26 0.00 0.00 34.13 34.74 2jxx s GLU 88 CO 0.46 -0.71 2.15 0.43 -0.54 0.00 0.00 175.26 177.05 2jxx n SER 89 N -0.41 3.13 0.00 -1.70 7.64 -1.26 -2.08 113.62 118.94 2jxx n SER 89 Ca -0.04 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2jxx n SER 89 Cb 0.61 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 5.66 1.65 3.43 0.23 0.00 -0.00 -4.87 105.19 111.29 2jxx n GLY 90 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 2jxx n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jxx n ASP 91 N 0.00 -2.09 -3.79 1.61 9.92 -0.88 -4.79 116.55 116.53 2jxx n ASP 91 Ca 0.00 -0.25 -0.28 0.00 -0.53 0.00 0.00 54.79 53.73 2jxx n ASP 91 Cb 0.00 -1.21 -0.16 0.00 -0.64 0.00 0.00 41.12 39.10 2jxx n ASP 91 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jxx s LEU 92 N -7.02 1.38 0.10 0.64 2.96 -1.26 -1.95 118.68 113.53 2jxx s LEU 92 Ca 0.68 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2jxx s LEU 92 Cb -0.24 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 2jxx s LEU 92 CO 0.66 -0.27 0.23 -0.63 -1.32 0.00 0.00 176.35 175.02 2jxx s ILE 93 N 1.77 5.26 0.32 6.68 1.01 -0.55 -4.45 121.20 131.25 2jxx s ILE 93 Ca -0.01 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.16 2jxx s ILE 93 Cb -0.17 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2jxx s ILE 93 CO -0.07 0.03 -0.00 -1.61 0.00 0.00 0.00 174.94 173.28 2jxx s GLU 94 N -2.84 2.11 -0.18 2.79 2.02 0.10 -1.40 118.70 121.30 2jxx s GLU 94 Ca 0.34 -1.66 -0.04 0.00 0.02 0.00 0.00 54.97 53.63 2jxx s GLU 94 Cb -0.12 -1.98 0.06 0.00 0.10 0.00 0.00 34.13 32.19 2jxx s GLU 94 CO 0.28 0.20 0.06 0.08 0.02 0.00 0.00 175.26 175.90 2jxx s VAL 95 N -2.47 0.25 -0.61 2.63 1.01 0.72 -2.37 120.40 119.57 2jxx s VAL 95 Ca 0.34 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 2jxx s VAL 95 Cb -0.02 -0.83 0.16 0.00 0.00 0.00 0.00 36.38 35.69 2jxx s VAL 95 CO 0.19 -0.24 0.46 0.26 0.00 0.00 0.00 175.10 175.77 2jxx s TRP 96 N 1.98 3.50 0.00 5.22 0.52 -0.59 -1.94 118.94 127.64 2jxx s TRP 96 Ca 0.00 -2.35 0.00 0.00 0.02 0.00 0.00 56.10 53.78 2jxx s TRP 96 Cb -0.17 -3.40 0.00 0.00 -1.15 0.00 0.00 33.47 28.76 2jxx s TRP 96 CO -0.08 -0.92 0.00 0.41 0.02 0.00 0.00 176.95 176.38