#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 0.68 -3.12 -2.82 0.00 -1.26 -4.77 120.64 109.35 2jxx n GLU 21 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 57.16 56.78 2jxx n GLU 21 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 31.44 29.83 2jxx n GLU 21 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2jxx s THR 22 N -2.50 4.90 -1.43 3.84 -1.32 -1.26 -5.00 115.64 112.87 2jxx s THR 22 Ca -0.13 0.56 -0.14 0.00 -1.21 0.00 0.00 61.69 60.77 2jxx s THR 22 Cb 0.07 -4.07 0.06 0.00 -1.51 0.00 0.00 72.50 67.04 2jxx s THR 22 CO 0.80 -0.32 2.16 -1.20 -2.21 0.00 0.00 174.62 173.85 2jxx n SER 23 N 6.03 4.07 0.13 8.08 7.64 -1.26 -4.27 113.62 134.04 2jxx n SER 23 Ca -0.01 -2.88 -0.23 0.00 1.01 0.00 0.00 58.87 56.76 2jxx n SER 23 Cb 0.49 -1.64 -0.15 0.00 -1.01 0.00 0.00 64.21 61.89 2jxx n SER 23 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2jxx h GLN 24 N 6.06 0.47 -5.64 1.43 5.75 -1.96 -3.46 115.11 117.76 2jxx h GLN 24 Ca 0.54 -0.80 -0.49 0.00 -0.15 0.00 0.00 58.65 57.76 2jxx h GLN 24 Cb 0.65 0.30 -0.24 0.00 1.07 0.00 0.00 27.48 29.26 2jxx h GLN 24 CO 1.83 1.38 -0.81 1.14 -2.65 0.00 0.00 178.83 179.73 2jxx s GLN 25 N -2.61 1.03 0.15 1.69 -2.07 -1.26 -1.49 119.66 115.10 2jxx s GLN 25 Ca -0.09 -0.92 0.10 0.00 -1.82 0.00 0.00 55.36 52.63 2jxx s GLN 25 Cb 0.05 -1.11 -0.04 0.00 -1.09 0.00 0.00 33.01 30.81 2jxx s GLN 25 CO 0.92 0.27 -0.19 -0.51 -1.32 0.00 0.00 175.29 174.46 2jxx s LEU 26 N -1.44 2.64 -0.49 2.60 1.02 0.00 -4.66 118.68 118.34 2jxx s LEU 26 Ca 0.03 -0.66 -0.16 0.00 0.02 0.00 0.00 54.13 53.36 2jxx s LEU 26 Cb -0.09 -1.43 0.08 0.00 0.02 0.00 0.00 46.19 44.77 2jxx s LEU 26 CO 0.02 0.15 0.45 -1.10 0.02 0.00 0.00 176.35 175.90 2jxx s GLN 27 N -2.39 3.00 -0.21 1.70 1.11 -1.24 -1.21 119.66 120.42 2jxx s GLN 27 Ca 0.19 -1.38 -0.10 0.00 0.01 0.00 0.00 55.36 54.09 2jxx s GLN 27 Cb -0.10 -4.17 -0.05 0.00 -1.01 0.00 0.00 33.01 27.69 2jxx s GLN 27 CO 0.10 -1.13 0.13 -0.51 0.01 0.00 0.00 175.29 173.90 2jxx s LEU 28 N 1.78 4.11 -0.52 2.90 2.01 -0.87 -3.19 118.68 124.90 2jxx s LEU 28 Ca 0.05 0.16 -0.20 0.00 0.01 0.00 0.00 54.13 54.15 2jxx s LEU 28 Cb -0.25 -2.08 0.06 0.00 0.01 0.00 0.00 46.19 43.93 2jxx s LEU 28 CO 0.06 0.13 0.70 -0.13 1.01 0.00 0.00 176.35 178.13 2jxx s ARG 29 N 0.65 3.16 -0.30 1.70 0.52 -0.86 -2.34 118.95 121.47 2jxx s ARG 29 Ca 0.07 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 2jxx s ARG 29 Cb -0.12 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.21 2jxx s ARG 29 CO 0.01 -1.30 0.24 0.08 0.02 0.00 0.00 175.30 174.34 2jxx s VAL 30 N 2.93 5.28 -0.09 3.52 1.01 0.68 -1.00 120.40 132.73 2jxx s VAL 30 Ca 0.18 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.27 2jxx s VAL 30 Cb -0.18 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2jxx s VAL 30 CO 0.13 0.14 -0.16 -1.10 0.00 0.00 0.00 175.10 174.11 2jxx s GLN 31 N 1.80 2.18 0.64 2.72 -0.21 -0.50 -0.89 119.66 125.39 2jxx s GLN 31 Ca 0.08 -0.56 -0.10 0.00 0.02 0.00 0.00 55.36 54.80 2jxx s GLN 31 Cb -0.16 -1.77 -0.01 0.00 1.00 0.00 0.00 33.01 32.07 2jxx s GLN 31 CO 0.11 0.03 1.01 0.20 -2.12 0.00 0.00 175.29 174.51 2jxx s GLY 32 N 0.72 1.62 0.47 3.09 0.00 -0.78 -0.53 107.32 111.92 2jxx s GLY 32 Ca -0.13 -0.36 0.30 0.00 0.00 0.00 0.00 44.72 44.53 2jxx s GLY 32 CO 0.03 -0.06 1.90 0.07 0.00 0.00 0.00 173.10 175.04 2jxx h LYS 33 N -0.38 0.00 -6.58 2.90 2.10 -1.27 -3.42 116.57 109.92 2jxx h LYS 33 Ca -0.45 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.67 2jxx h LYS 33 Cb 1.23 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2jxx h LYS 33 CO 0.62 0.00 0.53 -1.21 -2.00 0.00 0.00 179.45 177.39 2jxx s GLU 34 N -3.79 4.50 0.33 0.07 0.41 -1.26 -4.96 118.70 114.00 2jxx s GLU 34 Ca -0.03 1.76 0.05 0.00 -0.41 0.00 0.00 54.97 56.34 2jxx s GLU 34 Cb 0.09 -3.30 0.60 0.00 -1.78 0.00 0.00 34.13 29.73 2jxx s GLU 34 CO 0.27 -0.11 1.86 1.57 -0.49 0.00 0.00 175.26 178.36 2jxx h LYS 35 N 5.92 0.48 -0.64 1.61 2.10 -2.03 -2.08 116.57 121.92 2jxx h LYS 35 Ca -0.43 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 2jxx h LYS 35 Cb 1.21 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2jxx h LYS 35 CO 0.77 0.55 0.00 0.72 -2.00 0.00 0.00 179.45 179.49 2jxx n HIS 36 N -4.26 1.63 -3.29 0.07 8.25 -1.26 -4.83 115.22 111.53 2jxx n HIS 36 Ca 0.01 -0.62 -0.46 0.00 -0.26 0.00 0.00 57.72 56.39 2jxx n HIS 36 Cb 0.27 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 2jxx n HIS 36 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2jxx s GLN 37 N -2.08 3.26 -0.07 -0.41 2.00 -0.79 -5.01 119.66 116.57 2jxx s GLN 37 Ca 0.51 -1.99 0.02 0.00 -2.00 0.00 0.00 55.36 51.91 2jxx s GLN 37 Cb 0.35 -4.37 0.01 0.00 0.80 0.00 0.00 33.01 29.80 2jxx s GLN 37 CO 0.22 -1.34 -0.14 0.99 -0.50 0.00 0.00 175.29 174.52 2jxx s THR 38 N 1.13 1.27 0.09 -0.34 2.01 -1.26 -1.86 115.64 116.68 2jxx s THR 38 Ca 0.11 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.60 2jxx s THR 38 Cb -0.21 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 2jxx s THR 38 CO -0.02 0.39 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.94 2jxx s LEU 39 N 0.63 2.34 -0.04 4.42 2.96 -0.07 -5.02 118.68 123.90 2jxx s LEU 39 Ca -0.15 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.07 2jxx s LEU 39 Cb -0.16 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.05 2jxx s LEU 39 CO 0.04 -0.13 -0.07 -1.83 -1.32 0.00 0.00 176.35 173.05 2jxx s GLU 40 N -2.21 0.97 0.04 1.98 -1.05 -1.26 -0.23 118.70 116.94 2jxx s GLU 40 Ca 0.03 -0.21 0.03 0.00 -0.15 0.00 0.00 54.97 54.66 2jxx s GLU 40 Cb -0.07 -0.91 -0.02 0.00 -0.44 0.00 0.00 34.13 32.69 2jxx s GLU 40 CO 0.02 0.01 -0.10 0.54 0.95 0.00 0.00 175.26 176.68 2jxx s VAL 41 N 0.59 0.71 -0.45 1.83 0.11 -0.99 -4.99 120.40 117.21 2jxx s VAL 41 Ca -0.09 -1.04 -0.21 0.00 -2.93 0.00 0.00 61.98 57.72 2jxx s VAL 41 Cb -0.12 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 2jxx s VAL 41 CO 0.01 -0.26 0.64 -0.44 -3.33 0.00 0.00 175.10 171.72 2jxx s SER 42 N -1.42 6.31 -0.15 3.54 0.01 -1.26 -2.04 113.70 118.69 2jxx s SER 42 Ca -0.06 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 2jxx s SER 42 Cb -0.09 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2jxx s SER 42 CO 0.01 -0.80 0.02 -0.22 0.41 0.00 0.00 173.24 172.66 2jxx s LEU 43 N 2.81 3.64 0.39 2.44 2.96 -0.35 -4.91 118.68 125.66 2jxx s LEU 43 Ca 0.22 0.06 -0.24 0.00 -0.22 0.00 0.00 54.13 53.95 2jxx s LEU 43 Cb -0.15 -1.88 -0.10 0.00 0.50 0.00 0.00 46.19 44.56 2jxx s LEU 43 CO 0.18 0.24 1.00 -0.44 -1.32 0.00 0.00 176.35 176.01 2jxx s SER 44 N -0.04 6.92 0.58 3.68 0.01 -1.26 -0.82 113.70 122.77 2jxx s SER 44 Ca 0.04 1.91 0.36 0.00 1.31 0.00 0.00 55.95 59.57 2jxx s SER 44 Cb -0.13 -2.57 1.68 0.00 0.21 0.00 0.00 66.02 65.22 2jxx s SER 44 CO 0.02 -0.37 2.11 0.08 0.41 0.00 0.00 173.24 175.48 2jxx h ARG 45 N 2.50 0.00 0.00 12.44 0.11 -1.59 -1.74 114.38 126.10 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 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2jxx h ARG 45 CO 0.63 0.02 -1.18 -0.40 0.10 0.00 0.00 179.97 179.14 2jxx n ASP 46 N -3.17 0.62 -4.68 0.08 5.75 -1.26 -4.20 116.55 109.70 2jxx n ASP 46 Ca -0.01 0.14 -0.38 0.00 -0.01 0.00 0.00 54.79 54.53 2jxx n ASP 46 Cb 0.23 0.81 -0.07 0.00 -1.03 0.00 0.00 41.12 41.06 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jxx s SER 47 N -4.81 6.50 0.95 -1.12 0.01 -0.66 -5.03 113.70 109.54 2jxx s SER 47 Ca -0.01 0.60 -0.11 0.00 1.31 0.00 0.00 55.95 57.74 2jxx s SER 47 Cb 0.12 -2.25 0.16 0.00 0.21 0.00 0.00 66.02 64.26 2jxx s SER 47 CO 0.81 -0.08 1.09 -2.16 0.41 0.00 0.00 173.24 173.32 2jxx s PRO 48 N 1.22 0.84 0.58 12.44 0.04 -1.26 -4.43 135.00 144.43 2jxx s PRO 48 Ca 0.21 1.01 0.28 0.00 0.04 0.00 0.00 61.00 62.54 2jxx s PRO 48 Cb -0.15 -1.75 1.75 0.00 0.04 0.00 0.00 34.50 34.40 2jxx s PRO 48 CO 0.08 -2.58 2.24 -0.07 0.04 0.00 0.00 177.00 176.71 2jxx h LEU 49 N -1.81 0.00 -1.20 -3.56 -0.00 -1.17 -2.96 115.31 104.60 2jxx h LEU 49 Ca -0.50 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.45 2jxx h LEU 49 Cb 1.29 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.89 2jxx h LEU 49 CO 0.51 0.00 0.56 0.07 -0.00 0.00 0.00 178.44 179.58 2jxx h LYS 50 N 0.00 0.93 -0.05 1.13 2.10 -1.71 0.26 116.57 119.23 2jxx h LYS 50 Ca 0.00 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.48 2jxx h LYS 50 Cb 0.01 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.12 2jxx h LYS 50 CO -0.00 0.61 -0.51 0.00 -2.00 0.00 0.00 179.45 177.55 2jxx h THR 51 N 0.95 1.36 -0.32 0.07 1.03 -1.83 -1.44 112.91 112.74 2jxx h THR 51 Ca 0.37 -1.77 -0.12 0.00 -0.01 0.00 0.00 66.41 64.88 2jxx h THR 51 Cb 0.23 1.90 -0.01 0.00 -1.07 0.00 0.00 68.15 69.21 2jxx h THR 51 CO -0.14 0.52 -0.28 0.25 -0.01 0.00 0.00 175.52 175.86 2jxx h LEU 52 N 0.10 0.80 -0.59 0.00 6.46 -1.46 -1.34 115.31 119.29 2jxx h LEU 52 Ca 0.00 -0.46 0.05 0.00 -0.12 0.00 0.00 57.88 57.36 2jxx h LEU 52 Cb 0.94 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.60 2jxx h LEU 52 CO 0.07 1.09 0.31 0.24 -0.62 0.00 0.00 178.44 179.54 2jxx h MET 53 N 0.52 0.58 -0.48 1.25 2.86 -0.77 -0.92 114.93 117.97 2jxx h MET 53 Ca 0.06 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 2jxx h MET 53 Cb 0.85 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 2jxx h MET 53 CO 0.07 0.38 -0.17 0.77 1.06 0.00 0.00 176.91 179.03 2jxx h SER 54 N 0.59 0.96 -0.28 1.22 0.02 -1.23 -2.42 113.55 112.42 2jxx h SER 54 Ca 0.26 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 2jxx h SER 54 Cb 0.16 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2jxx h SER 54 CO -0.17 1.10 0.05 -0.74 -1.14 0.00 0.00 176.83 175.93 2jxx h HIS 55 N 0.83 0.50 0.58 3.45 6.17 -0.82 -1.24 115.15 124.62 2jxx h HIS 55 Ca 0.12 -0.07 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 2jxx h HIS 55 Cb 0.72 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.50 2jxx h HIS 55 CO 0.04 0.56 -0.49 -0.92 0.71 0.00 0.00 177.93 177.84 2jxx h TYR 56 N 0.28 -1.35 -0.73 5.26 3.20 -1.14 -0.65 116.97 121.85 2jxx h TYR 56 Ca 0.09 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2jxx h TYR 56 Cb 0.34 0.51 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 2jxx h TYR 56 CO 0.02 -0.68 0.37 1.05 -1.64 0.00 0.00 178.16 177.28 2jxx h GLU 57 N -1.05 1.02 -0.34 1.82 4.11 -1.44 -2.01 114.58 116.69 2jxx h GLU 57 Ca -0.08 -0.13 -0.08 0.00 0.07 0.00 0.00 59.36 59.15 2jxx h GLU 57 Cb 0.89 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2jxx h GLU 57 CO -0.01 0.77 -0.12 0.93 0.07 0.00 0.00 179.01 180.65 2jxx h GLU 58 N 1.02 0.59 -0.63 1.06 5.08 -1.20 0.31 114.58 120.81 2jxx h GLU 58 Ca 0.25 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2jxx h GLU 58 Cb 0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2jxx h GLU 58 CO -0.04 0.70 0.27 0.00 -1.00 0.00 0.00 179.01 178.94 2jxx h ALA 59 N 1.34 0.82 -0.64 3.43 0.00 -0.35 -2.96 119.26 120.90 2jxx h ALA 59 Ca 0.10 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 2jxx h ALA 59 Cb 0.53 -0.25 -0.18 0.00 0.00 0.00 0.00 17.79 17.89 2jxx h ALA 59 CO 0.03 0.42 0.25 -1.33 0.00 0.00 0.00 179.25 178.62 2jxx n MET 60 N -4.45 2.27 -4.14 0.00 2.81 -1.13 -4.97 117.12 107.52 2jxx n MET 60 Ca 0.04 -3.09 -0.35 0.00 -1.81 0.00 0.00 57.70 52.49 2jxx n MET 60 Cb 0.16 -2.00 -0.04 0.00 -0.71 0.00 0.00 33.22 30.62 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 -0.99 -0.44 2.67 3.03 0.00 -1.02 -4.87 105.19 103.57 2jxx n GLY 61 Ca 0.44 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.05 7.21 -4.71 0.99 4.77 0.11 -4.94 117.00 116.37 2jxx n LEU 62 Ca 0.08 -4.29 -0.36 0.00 -0.03 0.00 0.00 56.01 51.41 2jxx n LEU 62 Cb 0.48 -1.60 -0.08 0.00 -2.33 0.00 0.00 43.42 39.89 2jxx n LEU 62 CO 0.80 1.35 -0.11 -0.44 -1.33 0.00 0.00 177.39 177.67 2jxx s SER 63 N 2.54 6.28 0.00 -1.43 0.01 -1.26 -4.34 113.70 115.50 2jxx s SER 63 Ca 0.50 0.31 0.00 0.00 1.31 0.00 0.00 55.95 58.07 2jxx s SER 63 Cb 0.14 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2jxx s SER 63 CO -0.07 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2jxx n GLY 64 N 3.63 2.34 3.56 3.44 0.00 -1.26 -4.91 105.19 111.98 2jxx n GLY 64 Ca -0.14 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 2jxx n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxx s ARG 65 N 0.00 2.99 0.08 1.61 3.52 -1.26 -5.00 118.95 120.89 2jxx s ARG 65 Ca 0.00 -0.34 -0.16 0.00 -0.13 0.00 0.00 55.73 55.09 2jxx s ARG 65 Cb 0.00 -4.86 -0.06 0.00 -1.56 0.00 0.00 34.95 28.47 2jxx s ARG 65 CO 0.00 -2.69 0.52 0.21 -0.81 0.00 0.00 175.30 172.53 2jxx s LYS 66 N 6.20 4.04 0.23 5.12 2.20 -1.26 -4.78 119.74 131.49 2jxx s LYS 66 Ca 0.56 0.56 0.09 0.00 -0.36 0.00 0.00 55.97 56.81 2jxx s LYS 66 Cb -0.06 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 2jxx s LYS 66 CO 0.04 0.59 -0.15 -0.48 -0.36 0.00 0.00 175.35 174.99 2jxx s LEU 67 N -1.43 2.56 0.48 5.43 -0.00 -1.26 -4.91 118.68 119.55 2jxx s LEU 67 Ca 0.31 -1.04 -0.05 0.00 -0.00 0.00 0.00 54.13 53.35 2jxx s LEU 67 Cb -0.17 -0.76 -0.04 0.00 -0.00 0.00 0.00 46.19 45.22 2jxx s LEU 67 CO 0.18 -0.14 0.79 -0.44 -0.00 0.00 0.00 176.35 176.74 2jxx s SER 68 N -3.37 6.27 -0.06 1.48 0.01 -0.72 -4.89 113.70 112.42 2jxx s SER 68 Ca 0.25 0.94 0.01 0.00 1.31 0.00 0.00 55.95 58.46 2jxx s SER 68 Cb -0.01 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 63.98 2jxx s SER 68 CO 0.09 -0.58 -0.08 -0.36 0.41 0.00 0.00 173.24 172.72 2jxx s PHE 69 N -2.75 1.07 0.02 2.43 0.40 -1.26 -1.74 117.98 116.16 2jxx s PHE 69 Ca 0.48 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 56.49 2jxx s PHE 69 Cb -0.10 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 2jxx s PHE 69 CO 0.45 -0.24 -0.15 -0.06 0.70 0.00 0.00 175.22 175.91 2jxx s PHE 70 N 0.87 1.33 -0.26 0.36 0.40 -0.32 -1.30 117.98 119.06 2jxx s PHE 70 Ca -0.12 -0.31 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 2jxx s PHE 70 Cb -0.15 -0.82 0.08 0.00 0.51 0.00 0.00 43.02 42.65 2jxx s PHE 70 CO 0.01 0.02 0.07 0.12 0.70 0.00 0.00 175.22 176.14 2jxx s PHE 71 N -0.62 1.31 -1.37 0.36 5.36 -0.65 -1.31 117.98 121.06 2jxx s PHE 71 Ca 0.04 -1.29 -0.01 0.00 -0.96 0.00 0.00 56.93 54.71 2jxx s PHE 71 Cb -0.07 -1.34 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 2jxx s PHE 71 CO 0.01 -0.76 0.05 -3.47 -1.46 0.00 0.00 175.22 169.58 2jxx n ASP 72 N 4.97 -4.79 0.00 6.13 2.03 -1.26 -1.17 116.55 122.46 2jxx n ASP 72 Ca -0.06 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2jxx n ASP 72 Cb 0.44 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.83 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 -0.93 1.14 3.62 0.27 0.00 -1.26 -5.03 105.19 103.00 2jxx n GLY 73 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.96 4.08 -0.22 2.61 2.01 -0.31 -4.99 115.64 115.86 2jxx s THR 74 Ca 0.00 1.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.91 2jxx s THR 74 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 2jxx s THR 74 CO 0.00 -0.54 1.78 -0.75 -0.69 0.00 0.00 174.62 174.43 2jxx s LYS 75 N 4.34 3.63 -0.41 4.92 2.47 -1.26 -1.63 119.74 131.80 2jxx s LYS 75 Ca 0.58 1.76 -0.29 0.00 -1.56 0.00 0.00 55.97 56.46 2jxx s LYS 75 Cb -0.16 -4.14 0.02 0.00 -1.46 0.00 0.00 37.83 32.09 2jxx s LYS 75 CO 0.25 -1.51 1.17 -0.51 0.16 0.00 0.00 175.35 174.92 2jxx s LEU 76 N 5.96 3.73 0.25 5.43 1.43 -0.42 -4.92 118.68 130.13 2jxx s LEU 76 Ca 0.79 0.74 0.13 0.00 -1.03 0.00 0.00 54.13 54.76 2jxx s LEU 76 Cb -0.27 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.46 2jxx s LEU 76 CO 0.32 -1.16 1.43 0.28 0.23 0.00 0.00 176.35 177.45 2jxx h SER 77 N 9.13 0.00 0.00 2.29 0.02 -1.93 -3.42 113.55 119.64 2jxx h SER 77 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2jxx h SER 77 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2jxx h SER 77 CO 1.09 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 178.02 2jxx n GLY 78 N 1.13 4.00 0.47 -3.77 0.00 -1.26 -4.97 105.19 100.79 2jxx n GLY 78 Ca 0.01 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.32 2jxx n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jxx n ARG 79 N 0.00 1.62 -3.46 1.61 0.00 -1.26 -2.21 116.66 112.97 2jxx n ARG 79 Ca 0.00 -0.94 -0.33 0.00 -0.00 0.00 0.00 57.85 56.58 2jxx n ARG 79 Cb 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 32.46 31.04 2jxx n ARG 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2jxx s GLU 80 N -1.80 3.82 0.21 -0.14 1.03 -1.26 -4.95 118.70 115.60 2jxx s GLU 80 Ca 0.30 0.27 0.01 0.00 0.03 0.00 0.00 54.97 55.59 2jxx s GLU 80 Cb 0.16 -2.79 -0.04 0.00 -0.80 0.00 0.00 34.13 30.66 2jxx s GLU 80 CO 0.24 0.41 0.37 -0.51 -1.33 0.00 0.00 175.26 174.44 2jxx s LEU 81 N -2.45 4.26 0.51 1.83 1.43 -1.26 -1.25 118.68 121.76 2jxx s LEU 81 Ca 0.42 0.27 0.28 0.00 -1.03 0.00 0.00 54.13 54.07 2jxx s LEU 81 Cb -0.13 -3.04 1.35 0.00 0.03 0.00 0.00 46.19 44.41 2jxx s LEU 81 CO 0.21 -0.04 2.02 1.55 0.23 0.00 0.00 176.35 180.31 2jxx h PRO 82 N 1.77 0.00 -0.17 1.29 0.13 -1.77 -1.59 132.00 131.66 2jxx h PRO 82 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 2jxx h PRO 82 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jxx h PRO 82 CO 0.66 0.13 -0.65 0.00 -0.23 0.00 0.00 178.00 177.91 2jxx h ALA 83 N 1.87 0.53 -0.64 -0.56 0.00 -1.91 0.04 119.26 118.59 2jxx h ALA 83 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2jxx h ALA 83 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jxx h ALA 83 CO 0.02 0.70 0.29 0.22 0.00 0.00 0.00 179.25 180.48 2jxx h ASP 84 N 0.46 0.84 1.54 0.00 1.82 -1.68 -2.87 116.42 116.54 2jxx h ASP 84 Ca -0.02 -0.14 -0.08 0.00 -0.39 0.00 0.00 57.03 56.40 2jxx h ASP 84 Cb 1.24 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.02 2jxx h ASP 84 CO 0.13 0.75 -0.38 -0.07 -1.61 0.00 0.00 179.24 178.05 2jxx h LEU 85 N 0.88 0.00 -2.81 2.28 3.38 -1.37 -3.49 115.31 114.18 2jxx h LEU 85 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2jxx h LEU 85 Cb 0.14 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jxx h LEU 85 CO -0.02 0.38 -0.14 0.61 0.09 0.00 0.00 178.44 179.36 2jxx n GLY 86 N 1.11 -0.15 3.88 0.83 0.00 -0.47 -5.09 105.19 105.29 2jxx n GLY 86 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.23 2.51 0.33 1.61 1.00 -0.12 -5.03 119.30 116.36 2jxx s MET 87 Ca 0.08 -1.58 0.04 0.00 0.00 0.00 0.00 55.69 54.24 2jxx s MET 87 Cb -0.01 -2.36 -0.07 0.00 0.00 0.00 0.00 34.83 32.39 2jxx s MET 87 CO 0.24 -0.24 0.04 -2.00 0.00 0.00 0.00 175.02 173.06 2jxx s GLU 88 N -4.16 1.68 0.00 2.03 2.12 -1.26 -4.90 118.70 114.21 2jxx s GLU 88 Ca 0.48 -1.93 0.00 0.00 0.36 0.00 0.00 54.97 53.88 2jxx s GLU 88 Cb -0.03 -0.99 0.00 0.00 0.26 0.00 0.00 34.13 33.37 2jxx s GLU 88 CO 0.28 -0.15 0.69 0.43 -0.54 0.00 0.00 175.26 175.97 2jxx n SER 89 N -0.71 0.13 -2.71 -1.70 7.64 -1.26 -2.67 113.62 112.34 2jxx n SER 89 Ca -0.03 -1.51 -0.06 0.00 1.01 0.00 0.00 58.87 58.28 2jxx n SER 89 Cb 0.66 -0.07 0.07 0.00 -1.01 0.00 0.00 64.21 63.87 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 0.23 1.58 3.99 0.23 0.00 -1.19 -3.66 105.19 106.37 2jxx n GLY 90 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2jxx n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jxx s ASP 91 N -2.41 4.58 -0.11 1.61 -1.08 -1.09 -4.96 116.67 113.20 2jxx s ASP 91 Ca 0.23 -0.37 -0.01 0.00 -0.52 0.00 0.00 52.55 51.89 2jxx s ASP 91 Cb 0.42 -0.11 0.03 0.00 -1.46 0.00 0.00 42.92 41.79 2jxx s ASP 91 CO -0.04 -1.69 -0.05 -0.22 0.52 0.00 0.00 175.17 173.70 2jxx s LEU 92 N -5.03 1.07 0.04 -1.34 2.96 -1.26 -2.03 118.68 113.09 2jxx s LEU 92 Ca 0.64 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2jxx s LEU 92 Cb -0.06 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 2jxx s LEU 92 CO 0.43 -0.16 0.04 -0.63 -1.32 0.00 0.00 176.35 174.71 2jxx s ILE 93 N 1.78 4.36 0.17 6.68 1.01 -0.17 -4.70 121.20 130.34 2jxx s ILE 93 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 60.11 2jxx s ILE 93 Cb -0.13 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2jxx s ILE 93 CO -0.07 0.26 -0.18 -1.61 0.00 0.00 0.00 174.94 173.33 2jxx s GLU 94 N -1.96 1.31 -0.05 2.79 2.02 -0.43 -1.41 118.70 120.98 2jxx s GLU 94 Ca 0.24 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.79 2jxx s GLU 94 Cb -0.12 -1.37 0.02 0.00 0.10 0.00 0.00 34.13 32.76 2jxx s GLU 94 CO 0.16 0.28 -0.03 0.08 0.02 0.00 0.00 175.26 175.77 2jxx s VAL 95 N -2.10 0.45 -0.37 2.63 1.01 0.31 -1.17 120.40 121.15 2jxx s VAL 95 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2jxx s VAL 95 Cb -0.05 -0.52 0.12 0.00 0.00 0.00 0.00 36.38 35.93 2jxx s VAL 95 CO 0.07 0.23 0.17 0.26 0.00 0.00 0.00 175.10 175.82 2jxx s TRP 96 N 1.24 1.91 0.00 5.22 0.52 -0.71 -0.77 118.94 126.35 2jxx s TRP 96 Ca -0.06 -2.13 0.00 0.00 0.02 0.00 0.00 56.10 53.93 2jxx s TRP 96 Cb -0.14 -1.83 0.00 0.00 -1.15 0.00 0.00 33.47 30.35 2jxx s TRP 96 CO -0.02 -0.83 0.00 0.41 0.02 0.00 0.00 176.95 176.53