#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxx h GLU 21 N 0.00 0.41 -3.44 -0.78 4.81 -2.06 -3.44 114.58 110.08 2jxx h GLU 21 Ca 0.00 -0.29 -0.38 0.00 -0.13 0.00 0.00 59.36 58.56 2jxx h GLU 21 Cb 0.00 0.04 -0.38 0.00 0.63 0.00 0.00 28.75 29.04 2jxx h GLU 21 CO 0.00 0.90 -0.75 -0.08 -0.73 0.00 0.00 179.01 178.35 2jxx s THR 22 N -3.90 0.04 -0.67 0.32 -1.32 -1.26 -5.11 115.64 103.74 2jxx s THR 22 Ca -0.14 0.32 -0.25 0.00 -1.21 0.00 0.00 61.69 60.42 2jxx s THR 22 Cb 0.05 -0.26 0.05 0.00 -1.51 0.00 0.00 72.50 70.83 2jxx s THR 22 CO 0.78 0.20 1.08 -0.44 -2.21 0.00 0.00 174.62 174.04 2jxx s SER 23 N 2.02 6.20 0.32 8.08 0.01 -1.26 -4.86 113.70 124.22 2jxx s SER 23 Ca 0.04 -0.66 0.12 0.00 1.31 0.00 0.00 55.95 56.76 2jxx s SER 23 Cb -0.12 -2.48 0.54 0.00 0.21 0.00 0.00 66.02 64.17 2jxx s SER 23 CO -0.04 -1.56 1.71 -0.61 0.41 0.00 0.00 173.24 173.16 2jxx h GLN 24 N 9.70 0.00 -3.85 12.44 4.15 -1.99 -3.43 115.11 132.13 2jxx h GLN 24 Ca -0.28 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 58.89 2jxx h GLN 24 Cb 1.06 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 28.47 2jxx h GLN 24 CO 1.20 0.50 -0.73 1.14 -1.93 0.00 0.00 178.83 179.02 2jxx s GLN 25 N -3.86 0.09 0.06 1.69 1.03 -1.26 -2.09 119.66 115.32 2jxx s GLN 25 Ca -0.02 -0.04 0.05 0.00 0.04 0.00 0.00 55.36 55.39 2jxx s GLN 25 Cb 0.13 -0.09 -0.04 0.00 0.03 0.00 0.00 33.01 33.05 2jxx s GLN 25 CO 0.74 0.02 -0.04 -0.51 -2.54 0.00 0.00 175.29 172.96 2jxx s LEU 26 N -0.01 3.29 -0.46 2.60 1.02 0.09 -4.93 118.68 120.28 2jxx s LEU 26 Ca 0.00 -0.20 -0.13 0.00 0.02 0.00 0.00 54.13 53.82 2jxx s LEU 26 Cb -0.01 -1.99 0.08 0.00 0.02 0.00 0.00 46.19 44.29 2jxx s LEU 26 CO -0.00 0.21 0.36 -1.10 0.02 0.00 0.00 176.35 175.84 2jxx s GLN 27 N -1.98 2.86 -0.13 1.70 1.11 -1.26 -0.97 119.66 120.99 2jxx s GLN 27 Ca 0.22 -1.41 -0.05 0.00 0.01 0.00 0.00 55.36 54.13 2jxx s GLN 27 Cb -0.11 -4.03 -0.04 0.00 -1.01 0.00 0.00 33.01 27.82 2jxx s GLN 27 CO 0.14 -1.02 0.05 -0.51 0.01 0.00 0.00 175.29 173.95 2jxx s LEU 28 N 1.57 3.79 -0.12 2.90 2.01 -0.47 -0.76 118.68 127.61 2jxx s LEU 28 Ca 0.04 0.17 -0.19 0.00 0.01 0.00 0.00 54.13 54.15 2jxx s LEU 28 Cb -0.24 -1.91 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 2jxx s LEU 28 CO 0.05 0.30 0.54 -0.13 1.01 0.00 0.00 176.35 178.12 2jxx s ARG 29 N -0.40 4.34 -0.14 1.70 0.52 -1.13 -1.72 118.95 122.12 2jxx s ARG 29 Ca 0.09 0.54 0.02 0.00 -0.52 0.00 0.00 55.73 55.86 2jxx s ARG 29 Cb -0.12 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 31.90 2jxx s ARG 29 CO 0.02 0.08 -0.19 0.08 0.02 0.00 0.00 175.30 175.31 2jxx s VAL 30 N 0.85 1.85 0.00 3.52 1.01 0.54 -0.41 120.40 127.77 2jxx s VAL 30 Ca 0.28 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2jxx s VAL 30 Cb -0.16 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2jxx s VAL 30 CO 0.12 0.51 -0.08 -1.10 0.00 0.00 0.00 175.10 174.55 2jxx s GLN 31 N 1.07 0.63 0.99 2.72 -0.21 -0.62 -1.20 119.66 123.05 2jxx s GLN 31 Ca -0.02 -0.34 -0.16 0.00 0.02 0.00 0.00 55.36 54.86 2jxx s GLN 31 Cb -0.14 -0.60 0.19 0.00 1.00 0.00 0.00 33.01 33.46 2jxx s GLN 31 CO -0.06 0.16 1.22 0.20 -2.12 0.00 0.00 175.29 174.69 2jxx s GLY 32 N -0.34 1.67 0.41 3.09 0.00 -0.73 -0.49 107.32 110.93 2jxx s GLY 32 Ca 0.02 -0.94 0.28 0.00 0.00 0.00 0.00 44.72 44.09 2jxx s GLY 32 CO -0.00 -0.21 1.54 0.28 0.00 0.00 0.00 173.10 174.70 2jxx n LYS 33 N -3.96 -0.04 -2.81 2.90 5.02 0.05 -3.77 118.16 115.54 2jxx n LYS 33 Ca 0.12 1.27 -0.43 0.00 -2.02 0.00 0.00 58.31 57.26 2jxx n LYS 33 Cb 0.60 -2.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.14 2jxx n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jxx s GLU 34 N -5.31 3.81 0.37 1.97 8.01 -1.26 -4.96 118.70 121.33 2jxx s GLU 34 Ca -0.08 0.53 0.08 0.00 0.01 0.00 0.00 54.97 55.51 2jxx s GLU 34 Cb 0.31 -3.81 0.71 0.00 -4.31 0.00 0.00 34.13 27.03 2jxx s GLU 34 CO 0.79 -0.97 1.89 1.57 0.01 0.00 0.00 175.26 178.55 2jxx h LYS 35 N 8.53 0.30 0.00 1.61 2.10 -1.95 -2.38 116.57 124.78 2jxx h LYS 35 Ca -0.23 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.32 2jxx h LYS 35 Cb 1.08 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2jxx h LYS 35 CO 0.98 0.44 -0.13 0.45 -2.00 0.00 0.00 179.45 179.19 2jxx h HIS 36 N 0.29 0.00 -1.02 0.07 3.86 -1.93 -3.38 115.15 113.04 2jxx h HIS 36 Ca 0.06 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.72 2jxx h HIS 36 Cb 0.41 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.79 2jxx h HIS 36 CO 0.01 0.13 1.41 -1.14 0.86 0.00 0.00 177.93 179.20 2jxx s GLN 37 N -3.74 3.43 -0.03 2.45 0.74 -0.90 -4.97 119.66 116.64 2jxx s GLN 37 Ca 0.00 -1.03 0.05 0.00 0.05 0.00 0.00 55.36 54.43 2jxx s GLN 37 Cb 0.10 -5.32 -0.01 0.00 1.10 0.00 0.00 33.01 28.89 2jxx s GLN 37 CO 0.59 -2.43 -0.18 0.99 -0.55 0.00 0.00 175.29 173.72 2jxx s THR 38 N 5.85 1.43 -0.02 -0.34 2.01 -1.26 -1.77 115.64 121.56 2jxx s THR 38 Ca 0.51 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2jxx s THR 38 Cb -0.01 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.29 2jxx s THR 38 CO -0.07 0.41 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.01 2jxx s LEU 39 N -0.13 1.73 -0.16 4.42 2.96 -0.34 -5.02 118.68 122.14 2jxx s LEU 39 Ca 0.00 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2jxx s LEU 39 Cb -0.10 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.33 2jxx s LEU 39 CO 0.01 0.01 -0.20 -1.83 -1.32 0.00 0.00 176.35 173.02 2jxx s GLU 40 N 0.28 3.03 0.08 1.98 -1.05 -1.26 -0.34 118.70 121.42 2jxx s GLU 40 Ca -0.03 -0.83 0.06 0.00 -0.15 0.00 0.00 54.97 54.02 2jxx s GLU 40 Cb -0.06 -2.52 -0.03 0.00 -0.44 0.00 0.00 34.13 31.08 2jxx s GLU 40 CO -0.00 -0.10 -0.16 0.54 0.95 0.00 0.00 175.26 176.48 2jxx s VAL 41 N 1.03 1.31 -0.45 1.83 0.11 -0.70 -4.97 120.40 118.56 2jxx s VAL 41 Ca -0.02 -1.35 -0.20 0.00 -2.93 0.00 0.00 61.98 57.49 2jxx s VAL 41 Cb -0.14 -1.22 0.03 0.00 -1.53 0.00 0.00 36.38 33.51 2jxx s VAL 41 CO -0.06 -0.14 0.62 -0.94 -3.33 0.00 0.00 175.10 171.24 2jxx s SER 42 N -1.72 6.28 -0.15 3.54 1.04 -1.26 -1.37 113.70 120.07 2jxx s SER 42 Ca 0.01 -0.51 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 2jxx s SER 42 Cb -0.10 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 2jxx s SER 42 CO 0.03 -0.79 0.06 -0.22 0.98 0.00 0.00 173.24 173.30 2jxx s LEU 43 N 2.71 3.85 0.36 2.42 2.96 -0.14 -4.94 118.68 125.90 2jxx s LEU 43 Ca 0.20 0.17 -0.25 0.00 -0.22 0.00 0.00 54.13 54.03 2jxx s LEU 43 Cb -0.16 -1.94 -0.10 0.00 0.50 0.00 0.00 46.19 44.49 2jxx s LEU 43 CO 0.17 0.27 0.97 -0.55 -1.32 0.00 0.00 176.35 175.88 2jxx s SER 44 N -0.21 7.15 0.20 3.68 0.15 -1.26 -0.73 113.70 122.68 2jxx s SER 44 Ca 0.08 1.85 0.20 0.00 0.70 0.00 0.00 55.95 58.78 2jxx s SER 44 Cb -0.12 -2.57 0.89 0.00 -1.71 0.00 0.00 66.02 62.50 2jxx s SER 44 CO 0.01 -0.21 1.62 -2.11 1.20 0.00 0.00 173.24 173.76 2jxx n ARG 45 N 0.21 0.14 0.00 5.44 1.85 -0.89 -1.90 116.66 121.52 2jxx n ARG 45 Ca 0.03 0.42 0.08 0.00 -1.00 0.00 0.00 57.85 57.38 2jxx n ARG 45 Cb 0.51 -1.79 -0.13 0.00 -1.05 0.00 0.00 32.46 29.99 2jxx n ARG 45 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2jxx n ASP 46 N -2.06 0.20 -4.76 2.89 2.03 -1.26 -4.24 116.55 109.35 2jxx n ASP 46 Ca 0.02 0.08 -0.39 0.00 0.52 0.00 0.00 54.79 55.02 2jxx n ASP 46 Cb 0.19 1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 42.01 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2jxx s SER 47 N -4.87 7.00 0.83 1.67 0.01 -0.80 -5.01 113.70 112.53 2jxx s SER 47 Ca -0.07 1.19 -0.11 0.00 1.31 0.00 0.00 55.95 58.27 2jxx s SER 47 Cb 0.12 -2.38 0.09 0.00 0.21 0.00 0.00 66.02 64.06 2jxx s SER 47 CO 0.87 0.09 1.09 -2.84 0.41 0.00 0.00 173.24 172.86 2jxx s PRO 48 N -0.14 1.78 0.62 12.44 0.02 -1.26 -4.44 135.00 144.01 2jxx s PRO 48 Ca 0.32 0.88 0.36 0.00 0.02 0.00 0.00 61.00 62.58 2jxx s PRO 48 Cb -0.18 -1.86 2.04 0.00 0.02 0.00 0.00 34.50 34.51 2jxx s PRO 48 CO 0.18 -1.90 2.29 -0.07 -0.33 0.00 0.00 177.00 177.17 2jxx h LEU 49 N -1.30 0.00 -1.18 -5.54 -0.00 -0.98 -2.63 115.31 103.68 2jxx h LEU 49 Ca -0.47 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.48 2jxx h LEU 49 Cb 1.26 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.86 2jxx h LEU 49 CO 0.55 0.01 0.58 0.07 -0.00 0.00 0.00 178.44 179.64 2jxx h LYS 50 N 0.00 0.93 0.00 1.13 5.09 -1.51 -0.37 116.57 121.84 2jxx h LYS 50 Ca -0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 60.65 60.58 2jxx h LYS 50 Cb 0.04 -0.21 -0.01 0.00 0.10 0.00 0.00 32.23 32.14 2jxx h LYS 50 CO 0.00 0.62 -0.48 0.00 -2.09 0.00 0.00 179.45 177.50 2jxx h THR 51 N 0.96 1.22 -0.07 0.07 1.03 -1.76 -1.60 112.91 112.76 2jxx h THR 51 Ca 0.39 -1.72 -0.22 0.00 -0.01 0.00 0.00 66.41 64.85 2jxx h THR 51 Cb 0.27 1.96 0.01 0.00 -1.07 0.00 0.00 68.15 69.33 2jxx h THR 51 CO -0.15 0.47 -0.80 0.25 -0.01 0.00 0.00 175.52 175.27 2jxx h LEU 52 N 0.00 0.84 -0.31 0.00 6.46 -1.50 -2.12 115.31 118.68 2jxx h LEU 52 Ca -0.00 -0.68 0.05 0.00 -0.12 0.00 0.00 57.88 57.12 2jxx h LEU 52 Cb 0.92 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.55 2jxx h LEU 52 CO 0.06 1.40 0.02 0.24 -0.62 0.00 0.00 178.44 179.54 2jxx h MET 53 N 0.35 0.11 -0.13 1.25 2.86 -0.84 -0.81 114.93 117.72 2jxx h MET 53 Ca -0.08 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.42 2jxx h MET 53 Cb 1.45 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 2jxx h MET 53 CO 0.16 0.07 -0.50 0.66 1.06 0.00 0.00 176.91 178.37 2jxx h SER 54 N 0.11 0.36 0.19 1.22 4.64 -1.37 -2.62 113.55 116.09 2jxx h SER 54 Ca 0.15 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2jxx h SER 54 Cb 0.19 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2jxx h SER 54 CO -0.24 0.80 -0.09 -0.74 -0.87 0.00 0.00 176.83 175.70 2jxx h HIS 55 N 0.27 -0.24 0.56 4.77 6.17 -1.10 -2.62 115.15 122.96 2jxx h HIS 55 Ca 0.01 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.07 2jxx h HIS 55 Cb 0.97 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.96 2jxx h HIS 55 CO 0.02 0.08 -0.48 -0.92 0.71 0.00 0.00 177.93 177.34 2jxx h TYR 56 N -0.56 -1.30 -0.83 5.26 3.20 -1.07 -0.42 116.97 121.24 2jxx h TYR 56 Ca -0.03 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.87 2jxx h TYR 56 Cb 0.42 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 2jxx h TYR 56 CO 0.02 -0.65 0.55 1.05 -1.64 0.00 0.00 178.16 177.49 2jxx h GLU 57 N -1.01 1.05 0.00 1.82 4.11 -1.58 0.48 114.58 119.45 2jxx h GLU 57 Ca -0.07 -0.06 -0.14 0.00 0.07 0.00 0.00 59.36 59.16 2jxx h GLU 57 Cb 0.85 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2jxx h GLU 57 CO -0.01 0.69 -0.66 0.93 0.07 0.00 0.00 179.01 180.03 2jxx h GLU 58 N 1.08 0.00 0.00 1.06 5.08 -1.40 0.03 114.58 120.44 2jxx h GLU 58 Ca 0.32 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2jxx h GLU 58 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2jxx h GLU 58 CO -0.08 0.66 -0.29 0.00 -1.00 0.00 0.00 179.01 178.30 2jxx h ALA 59 N 1.34 0.06 0.00 3.43 0.00 -0.56 -3.38 119.26 120.15 2jxx h ALA 59 Ca -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 2jxx h ALA 59 Cb 1.24 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2jxx h ALA 59 CO 0.09 0.17 -0.19 1.98 0.00 0.00 0.00 179.25 181.30 2jxx h MET 60 N -1.00 0.00 0.00 0.00 1.85 -1.05 -3.47 114.93 111.26 2jxx h MET 60 Ca -0.08 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 2jxx h MET 60 Cb 1.04 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.07 2jxx h MET 60 CO -0.05 0.19 0.00 0.41 -0.40 0.00 0.00 176.91 177.06 2jxx n GLY 61 N 0.31 1.46 3.65 1.39 0.00 -1.10 -5.08 105.19 105.82 2jxx n GLY 61 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2jxx n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jxx s LEU 62 N 0.00 4.10 0.26 0.99 2.01 -0.02 -5.06 118.68 120.96 2jxx s LEU 62 Ca 0.00 0.28 -0.18 0.00 0.01 0.00 0.00 54.13 54.24 2jxx s LEU 62 Cb 0.00 -2.31 0.01 0.00 0.01 0.00 0.00 46.19 43.90 2jxx s LEU 62 CO 0.00 -0.04 0.62 -0.55 1.01 0.00 0.00 176.35 177.38 2jxx s SER 63 N 1.23 -0.21 0.00 2.29 0.15 -1.26 -4.51 113.70 111.39 2jxx s SER 63 Ca 0.13 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2jxx s SER 63 Cb -0.15 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2jxx s SER 63 CO 0.07 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 173.88 2jxx n GLY 64 N -0.42 2.01 3.73 9.45 0.00 -1.26 -4.83 105.19 113.87 2jxx n GLY 64 Ca -0.04 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2jxx n GLY 64 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jxx s ARG 65 N 0.00 4.23 -0.04 1.61 1.70 -1.26 -5.11 118.95 120.09 2jxx s ARG 65 Ca 0.00 0.11 -0.04 0.00 -0.47 0.00 0.00 55.73 55.33 2jxx s ARG 65 Cb 0.00 -3.42 -0.04 0.00 -0.57 0.00 0.00 34.95 30.92 2jxx s ARG 65 CO 0.00 0.26 0.18 0.21 -1.08 0.00 0.00 175.30 174.87 2jxx s LYS 66 N 0.40 3.45 0.20 3.89 2.20 -1.26 -4.99 119.74 123.64 2jxx s LYS 66 Ca 0.17 -0.24 0.10 0.00 -0.36 0.00 0.00 55.97 55.64 2jxx s LYS 66 Cb -0.13 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2jxx s LYS 66 CO 0.04 0.70 -0.14 -0.48 -0.36 0.00 0.00 175.35 175.11 2jxx s LEU 67 N -1.65 2.78 0.46 5.43 -0.00 -1.26 -4.90 118.68 119.54 2jxx s LEU 67 Ca 0.24 -0.71 -0.01 0.00 -0.00 0.00 0.00 54.13 53.64 2jxx s LEU 67 Cb -0.12 -1.46 -0.01 0.00 -0.00 0.00 0.00 46.19 44.60 2jxx s LEU 67 CO 0.14 0.10 0.71 -0.44 -0.00 0.00 0.00 176.35 176.86 2jxx s SER 68 N -2.89 5.89 -0.06 1.48 0.01 -0.79 -4.90 113.70 112.44 2jxx s SER 68 Ca 0.24 0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.97 2jxx s SER 68 Cb -0.08 -1.70 0.01 0.00 0.21 0.00 0.00 66.02 64.47 2jxx s SER 68 CO 0.14 -0.70 -0.12 -0.36 0.41 0.00 0.00 173.24 172.61 2jxx s PHE 69 N -2.62 1.41 -0.06 2.43 0.40 -1.26 -1.15 117.98 117.13 2jxx s PHE 69 Ca 0.48 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.32 2jxx s PHE 69 Cb -0.10 -1.04 0.02 0.00 0.51 0.00 0.00 43.02 42.41 2jxx s PHE 69 CO 0.40 -0.26 -0.10 -0.06 0.70 0.00 0.00 175.22 175.90 2jxx s PHE 70 N 0.63 1.25 -0.25 0.36 0.40 -1.07 -2.23 117.98 117.07 2jxx s PHE 70 Ca -0.14 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.76 2jxx s PHE 70 Cb -0.15 -0.96 0.05 0.00 0.51 0.00 0.00 43.02 42.46 2jxx s PHE 70 CO 0.03 -0.27 -0.11 0.12 0.70 0.00 0.00 175.22 175.69 2jxx s PHE 71 N 0.83 3.18 -1.57 0.36 5.36 -0.69 -0.84 117.98 124.61 2jxx s PHE 71 Ca -0.12 -2.13 -0.14 0.00 -0.96 0.00 0.00 56.93 53.58 2jxx s PHE 71 Cb -0.15 -1.95 0.10 0.00 -0.34 0.00 0.00 43.02 40.68 2jxx s PHE 71 CO 0.02 -0.85 0.92 -3.47 -1.46 0.00 0.00 175.22 170.37 2jxx n ASP 72 N 4.49 -4.22 0.00 6.13 2.03 -1.26 -1.11 116.55 122.61 2jxx n ASP 72 Ca -0.15 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.31 2jxx n ASP 72 Cb 0.44 -3.59 0.00 0.00 -0.72 0.00 0.00 41.12 37.25 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 -1.62 3.02 3.64 0.27 0.00 -1.26 -4.99 105.19 104.24 2jxx n GLY 73 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.28 3.84 -0.27 2.61 2.01 -0.27 -4.97 115.64 117.31 2jxx s THR 74 Ca 0.00 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.67 2jxx s THR 74 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2jxx s THR 74 CO 0.00 -0.29 1.58 -0.75 -0.69 0.00 0.00 174.62 174.47 2jxx s LYS 75 N 4.38 3.72 -0.23 4.92 2.47 -1.26 -1.70 119.74 132.04 2jxx s LYS 75 Ca 0.67 1.49 -0.29 0.00 -1.56 0.00 0.00 55.97 56.28 2jxx s LYS 75 Cb -0.24 -4.04 -0.01 0.00 -1.46 0.00 0.00 37.83 32.08 2jxx s LYS 75 CO 0.26 -1.38 1.42 -0.51 0.16 0.00 0.00 175.35 175.30 2jxx s LEU 76 N 5.35 3.97 0.16 5.43 2.01 -0.95 -4.92 118.68 129.73 2jxx s LEU 76 Ca 0.69 1.49 -0.03 0.00 0.01 0.00 0.00 54.13 56.29 2jxx s LEU 76 Cb -0.22 -3.54 -0.00 0.00 0.01 0.00 0.00 46.19 42.44 2jxx s LEU 76 CO 0.29 -1.07 1.39 0.28 1.01 0.00 0.00 176.35 178.26 2jxx h SER 77 N 9.56 0.54 0.00 2.29 0.02 -1.93 -3.43 113.55 120.59 2jxx h SER 77 Ca -0.29 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2jxx h SER 77 Cb 1.12 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2jxx h SER 77 CO 1.01 1.13 0.00 0.61 -1.14 0.00 0.00 176.83 178.44 2jxx n GLY 78 N 0.67 2.35 0.69 -3.77 0.00 -1.26 -4.99 105.19 98.88 2jxx n GLY 78 Ca -0.05 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 1.88 -3.16 1.61 1.74 -1.26 -1.42 116.66 116.04 2jxx n ARG 79 Ca 0.00 -1.32 -0.33 0.00 -0.77 0.00 0.00 57.85 55.42 2jxx n ARG 79 Cb 0.00 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.52 4.04 0.06 5.56 1.03 -1.26 -4.86 118.70 121.75 2jxx s GLU 80 Ca 0.25 0.67 0.01 0.00 0.03 0.00 0.00 54.97 55.92 2jxx s GLU 80 Cb 0.13 -2.58 -0.04 0.00 -0.80 0.00 0.00 34.13 30.84 2jxx s GLU 80 CO 0.16 0.24 0.18 -0.51 -1.33 0.00 0.00 175.26 174.00 2jxx s LEU 81 N -2.68 4.22 0.50 1.83 1.43 -1.26 -1.12 118.68 121.59 2jxx s LEU 81 Ca 0.50 0.20 0.26 0.00 -1.03 0.00 0.00 54.13 54.07 2jxx s LEU 81 Cb -0.12 -2.83 1.33 0.00 0.03 0.00 0.00 46.19 44.60 2jxx s LEU 81 CO 0.19 0.17 2.02 1.55 0.23 0.00 0.00 176.35 180.51 2jxx h PRO 82 N 3.17 0.00 -0.25 1.29 0.13 -1.78 -1.30 132.00 133.26 2jxx h PRO 82 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jxx h PRO 82 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2jxx h PRO 82 CO 0.73 0.15 0.15 0.00 -0.23 0.00 0.00 178.00 178.80 2jxx h ALA 83 N 1.85 0.31 -0.08 -0.56 0.00 -1.91 -1.21 119.26 117.67 2jxx h ALA 83 Ca -0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2jxx h ALA 83 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jxx h ALA 83 CO 0.02 -0.19 -0.55 0.22 0.00 0.00 0.00 179.25 178.75 2jxx h ASP 84 N 0.31 0.27 1.33 0.00 3.58 -1.59 -2.85 116.42 117.47 2jxx h ASP 84 Ca 0.09 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 2jxx h ASP 84 Cb 0.00 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2jxx h ASP 84 CO -0.02 0.77 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.80 2jxx h LEU 85 N 0.18 0.00 -2.25 2.28 3.38 -1.30 -3.48 115.31 114.12 2jxx h LEU 85 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jxx h LEU 85 Cb 1.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.79 2jxx h LEU 85 CO 0.09 0.24 -0.02 0.61 0.09 0.00 0.00 178.44 179.44 2jxx n GLY 86 N 0.65 0.53 4.01 0.83 0.00 -0.97 -5.10 105.19 105.15 2jxx n GLY 86 Ca 0.02 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.78 2.37 0.09 1.61 -1.94 -0.49 -5.06 119.30 112.09 2jxx s MET 87 Ca 0.00 -1.32 0.03 0.00 -1.71 0.00 0.00 55.69 52.70 2jxx s MET 87 Cb -0.00 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 2jxx s MET 87 CO 0.02 -0.79 -0.09 -2.00 -0.01 0.00 0.00 175.02 172.16 2jxx s GLU 88 N -4.68 0.81 -0.13 2.03 2.12 -1.26 -4.90 118.70 112.70 2jxx s GLU 88 Ca 0.60 -1.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 2jxx s GLU 88 Cb -0.07 -0.43 -0.06 0.00 0.26 0.00 0.00 34.13 33.83 2jxx s GLU 88 CO 0.38 0.05 1.95 -1.54 -0.54 0.00 0.00 175.26 175.56 2jxx s SER 89 N -2.49 6.09 0.00 -1.70 1.04 -1.26 -2.61 113.70 112.78 2jxx s SER 89 Ca 0.05 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2jxx s SER 89 Cb -0.02 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2jxx s SER 89 CO -0.01 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.40 2jxx n GLY 90 N 4.98 0.58 0.00 7.32 0.00 0.06 -4.87 105.19 113.26 2jxx n GLY 90 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.82 0.95 -3.86 1.61 -0.08 -1.07 -4.99 116.55 108.28 2jxx n ASP 91 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 2jxx n ASP 91 Cb 0.36 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.70 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 1.67 0.03 -2.67 2.96 -1.26 -2.82 118.68 116.59 2jxx s LEU 92 Ca 0.00 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2jxx s LEU 92 Cb 0.00 0.40 -0.02 0.00 0.50 0.00 0.00 46.19 47.06 2jxx s LEU 92 CO 0.00 -0.15 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.22 2jxx s ILE 93 N -0.47 0.19 0.37 6.68 1.01 0.46 -4.74 121.20 124.70 2jxx s ILE 93 Ca -0.05 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.66 2jxx s ILE 93 Cb -0.03 -0.42 -0.07 0.00 0.01 0.00 0.00 42.46 41.95 2jxx s ILE 93 CO 0.00 -0.52 -0.02 -1.61 0.00 0.00 0.00 174.94 172.79 2jxx s GLU 94 N -1.67 1.84 -0.23 2.79 2.02 -0.02 -1.58 118.70 121.84 2jxx s GLU 94 Ca -0.13 -2.00 -0.04 0.00 0.02 0.00 0.00 54.97 52.82 2jxx s GLU 94 Cb -0.09 -1.50 0.09 0.00 0.10 0.00 0.00 34.13 32.73 2jxx s GLU 94 CO -0.01 -0.01 0.17 0.08 0.02 0.00 0.00 175.26 175.51 2jxx s VAL 95 N -2.79 -0.19 -0.50 2.63 1.01 0.35 -2.61 120.40 118.29 2jxx s VAL 95 Ca 0.34 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2jxx s VAL 95 Cb 0.07 -0.79 0.13 0.00 0.00 0.00 0.00 36.38 35.79 2jxx s VAL 95 CO 0.17 -0.43 0.28 0.26 0.00 0.00 0.00 175.10 175.38 2jxx s TRP 96 N 2.21 3.48 0.00 5.22 0.52 -0.30 -0.77 118.94 129.30 2jxx s TRP 96 Ca 0.07 -2.72 0.00 0.00 0.02 0.00 0.00 56.10 53.47 2jxx s TRP 96 Cb -0.16 -3.12 0.00 0.00 -1.15 0.00 0.00 33.47 29.04 2jxx s TRP 96 CO -0.22 -0.89 0.00 0.41 0.02 0.00 0.00 176.95 176.27