#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 -3.56 -0.78 -0.00 -1.26 -4.92 120.64 110.12 2jxx n GLU 21 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 56.78 2jxx n GLU 21 Cb 0.00 -0.24 -0.05 0.00 -0.00 0.00 0.00 31.44 31.16 2jxx n GLU 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2jxx n THR 22 N -2.00 3.41 -3.55 3.84 -2.24 -1.26 -5.05 114.28 107.43 2jxx n THR 22 Ca 0.00 -5.19 -0.40 0.00 -2.27 0.00 0.00 64.05 56.18 2jxx n THR 22 Cb 0.00 -2.42 -0.11 0.00 -2.10 0.00 0.00 70.33 65.70 2jxx n THR 22 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2jxx s SER 23 N 0.11 5.98 0.02 3.42 0.01 -1.26 -4.98 113.70 116.99 2jxx s SER 23 Ca 0.29 -0.46 -0.25 0.00 1.31 0.00 0.00 55.95 56.84 2jxx s SER 23 Cb -0.07 -2.12 -0.17 0.00 0.21 0.00 0.00 66.02 63.87 2jxx s SER 23 CO -0.11 -0.24 1.36 -0.61 0.41 0.00 0.00 173.24 174.05 2jxx h GLN 24 N 8.47 -0.22 -5.29 12.44 5.75 -1.98 -3.46 115.11 130.82 2jxx h GLN 24 Ca -0.31 0.01 -0.39 0.00 -0.15 0.00 0.00 58.65 57.81 2jxx h GLN 24 Cb 1.15 0.05 -0.18 0.00 1.07 0.00 0.00 27.48 29.57 2jxx h GLN 24 CO 0.63 0.09 -0.75 -0.65 -2.65 0.00 0.00 178.83 175.50 2jxx s GLN 25 N -4.91 0.98 -0.20 1.69 -0.21 -1.26 -3.30 119.66 112.45 2jxx s GLN 25 Ca -0.15 -1.22 -0.06 0.00 0.02 0.00 0.00 55.36 53.95 2jxx s GLN 25 Cb 0.03 -0.80 -0.03 0.00 1.00 0.00 0.00 33.01 33.21 2jxx s GLN 25 CO 0.61 0.15 0.04 -0.51 -2.12 0.00 0.00 175.29 173.45 2jxx s LEU 26 N -2.47 3.53 -0.61 2.90 1.43 0.14 -4.88 118.68 118.71 2jxx s LEU 26 Ca 0.08 -0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 2jxx s LEU 26 Cb -0.04 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.34 2jxx s LEU 26 CO 0.02 0.10 0.91 -1.10 0.23 0.00 0.00 176.35 176.52 2jxx s GLN 27 N 0.78 3.17 -0.16 1.70 1.11 -1.26 -1.13 119.66 123.86 2jxx s GLN 27 Ca 0.02 -0.70 -0.04 0.00 0.01 0.00 0.00 55.36 54.65 2jxx s GLN 27 Cb -0.14 -4.17 -0.03 0.00 -1.01 0.00 0.00 33.01 27.67 2jxx s GLN 27 CO 0.02 -1.65 -0.03 -0.51 0.01 0.00 0.00 175.29 173.12 2jxx s LEU 28 N 3.83 3.25 -0.54 2.90 1.43 -0.51 -1.14 118.68 127.88 2jxx s LEU 28 Ca 0.23 -0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.96 2jxx s LEU 28 Cb -0.16 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.32 2jxx s LEU 28 CO 0.13 0.16 0.89 -0.13 0.23 0.00 0.00 176.35 177.62 2jxx s ARG 29 N 0.42 3.30 -0.36 1.70 0.52 -1.10 -1.98 118.95 121.45 2jxx s ARG 29 Ca -0.04 -0.36 -0.13 0.00 -0.52 0.00 0.00 55.73 54.68 2jxx s ARG 29 Cb -0.14 -4.06 -0.01 0.00 0.52 0.00 0.00 34.95 31.26 2jxx s ARG 29 CO 0.03 -1.43 0.26 0.08 0.02 0.00 0.00 175.30 174.26 2jxx s VAL 30 N 3.72 5.27 0.02 3.52 1.01 0.54 -0.86 120.40 133.63 2jxx s VAL 30 Ca 0.28 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2jxx s VAL 30 Cb -0.14 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2jxx s VAL 30 CO 0.18 -0.08 -0.05 -1.10 0.00 0.00 0.00 175.10 174.05 2jxx s GLN 31 N 1.74 0.40 0.77 2.72 -0.21 -0.76 -1.07 119.66 123.24 2jxx s GLN 31 Ca 0.06 -0.46 -0.07 0.00 0.02 0.00 0.00 55.36 54.92 2jxx s GLN 31 Cb -0.18 -0.24 0.12 0.00 1.00 0.00 0.00 33.01 33.71 2jxx s GLN 31 CO 0.11 0.05 1.07 0.20 -2.12 0.00 0.00 175.29 174.60 2jxx s GLY 32 N -0.89 1.74 0.51 3.09 0.00 -0.96 -0.81 107.32 110.00 2jxx s GLY 32 Ca -0.06 -1.28 0.37 0.00 0.00 0.00 0.00 44.72 43.76 2jxx s GLY 32 CO -0.00 -0.73 1.70 0.07 0.00 0.00 0.00 173.10 174.13 2jxx h LYS 33 N -0.81 0.06 -5.98 2.90 2.10 -0.84 -3.39 116.57 110.61 2jxx h LYS 33 Ca -0.42 -0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.65 2jxx h LYS 33 Cb 1.28 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.53 2jxx h LYS 33 CO 0.48 0.04 -0.11 -1.21 -2.00 0.00 0.00 179.45 176.65 2jxx s GLU 34 N -5.07 4.19 0.54 0.07 2.02 -1.26 -4.99 118.70 114.20 2jxx s GLU 34 Ca -0.06 0.55 0.32 0.00 0.02 0.00 0.00 54.97 55.80 2jxx s GLU 34 Cb 0.26 -3.32 1.25 0.00 0.10 0.00 0.00 34.13 32.42 2jxx s GLU 34 CO 0.83 0.45 1.94 1.57 0.02 0.00 0.00 175.26 180.08 2jxx h LYS 35 N 5.50 0.00 -0.19 1.61 2.10 -1.99 -2.33 116.57 121.26 2jxx h LYS 35 Ca -0.47 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.06 2jxx h LYS 35 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2jxx h LYS 35 CO 0.68 0.02 -0.41 1.25 -2.00 0.00 0.00 179.45 178.99 2jxx h HIS 36 N 0.00 0.52 -2.93 0.07 2.76 -1.94 -3.42 115.15 110.22 2jxx h HIS 36 Ca -0.00 -0.15 -0.57 0.00 -2.20 0.00 0.00 60.37 57.46 2jxx h HIS 36 Cb 0.57 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.38 2jxx h HIS 36 CO 0.00 0.78 0.95 -1.14 -1.30 0.00 0.00 177.93 177.22 2jxx s GLN 37 N -4.21 4.13 -0.29 5.26 0.74 -0.88 -4.97 119.66 119.44 2jxx s GLN 37 Ca -0.06 1.61 -0.04 0.00 0.05 0.00 0.00 55.36 56.92 2jxx s GLN 37 Cb 0.13 -3.83 0.16 0.00 1.10 0.00 0.00 33.01 30.57 2jxx s GLN 37 CO 0.80 -0.85 0.59 0.99 -0.55 0.00 0.00 175.29 176.27 2jxx s THR 38 N 3.86 -0.95 0.03 -0.34 2.01 -1.26 -2.25 115.64 116.73 2jxx s THR 38 Ca 0.58 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.53 2jxx s THR 38 Cb -0.22 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 2jxx s THR 38 CO 0.19 -0.01 0.08 -0.22 -0.69 0.00 0.00 174.62 173.97 2jxx s LEU 39 N 2.84 1.85 -0.03 4.42 2.96 -0.23 -5.01 118.68 125.47 2jxx s LEU 39 Ca 0.11 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2jxx s LEU 39 Cb -0.14 0.53 0.01 0.00 0.50 0.00 0.00 46.19 47.09 2jxx s LEU 39 CO -0.20 -0.46 -0.06 -1.83 -1.32 0.00 0.00 176.35 172.48 2jxx s GLU 40 N -2.30 0.82 0.03 1.98 -1.05 -1.26 -0.34 118.70 116.58 2jxx s GLU 40 Ca -0.08 -0.20 -0.03 0.00 -0.15 0.00 0.00 54.97 54.51 2jxx s GLU 40 Cb -0.03 -0.79 -0.02 0.00 -0.44 0.00 0.00 34.13 32.85 2jxx s GLU 40 CO -0.03 0.03 0.04 0.54 0.95 0.00 0.00 175.26 176.79 2jxx s VAL 41 N 0.44 0.14 -0.48 1.83 0.11 -0.84 -4.98 120.40 116.62 2jxx s VAL 41 Ca -0.06 -1.14 -0.20 0.00 -2.93 0.00 0.00 61.98 57.65 2jxx s VAL 41 Cb -0.10 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2jxx s VAL 41 CO 0.00 -0.63 0.63 -0.44 -3.33 0.00 0.00 175.10 171.34 2jxx s SER 42 N -2.02 6.26 -0.16 3.54 0.01 -1.26 -1.43 113.70 118.64 2jxx s SER 42 Ca -0.07 -0.69 -0.15 0.00 1.31 0.00 0.00 55.95 56.36 2jxx s SER 42 Cb -0.03 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2jxx s SER 42 CO -0.04 -0.85 0.34 -0.22 0.41 0.00 0.00 173.24 172.88 2jxx s LEU 43 N 2.72 4.23 0.32 2.44 2.96 -0.29 -4.89 118.68 126.18 2jxx s LEU 43 Ca 0.18 0.55 -0.28 0.00 -0.22 0.00 0.00 54.13 54.36 2jxx s LEU 43 Cb -0.17 -2.45 -0.09 0.00 0.50 0.00 0.00 46.19 43.97 2jxx s LEU 43 CO 0.15 0.04 1.14 -0.55 -1.32 0.00 0.00 176.35 175.81 2jxx s SER 44 N 0.64 6.99 0.50 3.68 0.15 -1.26 -0.69 113.70 123.71 2jxx s SER 44 Ca 0.18 2.33 0.19 0.00 0.70 0.00 0.00 55.95 59.35 2jxx s SER 44 Cb -0.14 -2.62 1.25 0.00 -1.71 0.00 0.00 66.02 62.80 2jxx s SER 44 CO 0.06 -0.35 2.08 0.08 1.20 0.00 0.00 173.24 176.31 2jxx h ARG 45 N 3.37 0.00 0.00 5.44 0.11 -1.87 -1.60 114.38 119.83 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 0.65 0.10 -1.00 -0.40 0.10 0.00 0.00 179.97 179.42 2jxx n ASP 46 N -4.20 0.72 -4.71 0.08 5.68 -1.26 -3.71 116.55 109.14 2jxx n ASP 46 Ca -0.03 0.17 -0.37 0.00 -0.50 0.00 0.00 54.79 54.07 2jxx n ASP 46 Cb 0.18 0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 40.65 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2jxx s SER 47 N -4.84 6.54 0.86 -1.12 0.01 -0.60 -4.98 113.70 109.56 2jxx s SER 47 Ca 0.01 0.63 -0.11 0.00 1.31 0.00 0.00 55.95 57.80 2jxx s SER 47 Cb 0.11 -2.23 0.11 0.00 0.21 0.00 0.00 66.02 64.22 2jxx s SER 47 CO 0.79 0.02 1.10 -2.16 0.41 0.00 0.00 173.24 173.40 2jxx s PRO 48 N 0.70 1.50 0.53 12.44 0.04 -1.26 -4.36 135.00 144.58 2jxx s PRO 48 Ca 0.21 1.14 0.27 0.00 0.04 0.00 0.00 61.00 62.65 2jxx s PRO 48 Cb -0.14 -1.81 1.40 0.00 0.04 0.00 0.00 34.50 33.99 2jxx s PRO 48 CO 0.07 -2.17 1.96 -0.07 0.04 0.00 0.00 177.00 176.83 2jxx h LEU 49 N -1.51 0.03 -1.17 -3.56 -0.00 -0.94 -2.38 115.31 105.77 2jxx h LEU 49 Ca -0.46 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.50 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 0.50 0.01 0.58 0.07 -0.00 0.00 0.00 178.44 179.60 2jxx h LYS 50 N 0.03 0.95 0.00 1.13 5.09 -1.60 0.85 116.57 123.01 2jxx h LYS 50 Ca 0.32 -0.06 -0.09 0.00 0.09 0.00 0.00 60.65 60.92 2jxx h LYS 50 Cb 1.23 -0.21 -0.01 0.00 0.10 0.00 0.00 32.23 33.34 2jxx h LYS 50 CO -0.01 0.63 -0.41 0.00 -2.09 0.00 0.00 179.45 177.57 2jxx h THR 51 N 0.97 1.16 -0.09 0.07 1.03 -1.73 -1.31 112.91 113.02 2jxx h THR 51 Ca 0.40 -1.46 -0.23 0.00 -0.01 0.00 0.00 66.41 65.11 2jxx h THR 51 Cb 0.27 1.81 0.01 0.00 -1.07 0.00 0.00 68.15 69.18 2jxx h THR 51 CO -0.16 0.40 -0.87 0.25 -0.01 0.00 0.00 175.52 175.14 2jxx h LEU 52 N 0.00 0.86 -0.74 0.00 6.46 -1.43 -2.74 115.31 117.71 2jxx h LEU 52 Ca -0.00 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 57.15 2jxx h LEU 52 Cb 0.78 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 2jxx h LEU 52 CO 0.05 1.40 0.47 0.24 -0.62 0.00 0.00 178.44 179.98 2jxx h MET 53 N 0.45 1.00 -0.21 1.25 2.86 -0.42 -0.75 114.93 119.11 2jxx h MET 53 Ca -0.08 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 2jxx h MET 53 Cb 1.50 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 2jxx h MET 53 CO 0.17 0.69 -0.55 0.66 1.06 0.00 0.00 176.91 178.94 2jxx h SER 54 N 1.01 0.72 -0.08 1.22 4.64 -1.35 -2.94 113.55 116.77 2jxx h SER 54 Ca 0.27 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2jxx h SER 54 Cb -0.07 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 2jxx h SER 54 CO -0.05 1.13 0.01 -0.74 -0.87 0.00 0.00 176.83 176.30 2jxx h HIS 55 N 0.50 0.14 0.16 4.77 6.17 -1.14 -2.31 115.15 123.43 2jxx h HIS 55 Ca 0.01 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.09 2jxx h HIS 55 Cb 1.12 -0.04 -0.04 0.00 2.52 0.00 0.00 27.41 30.96 2jxx h HIS 55 CO 0.05 0.35 -0.41 -0.92 0.71 0.00 0.00 177.93 177.71 2jxx h TYR 56 N -0.11 -1.15 -0.89 5.26 3.20 -1.21 -1.78 116.97 120.29 2jxx h TYR 56 Ca 0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2jxx h TYR 56 Cb 0.28 0.49 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 2jxx h TYR 56 CO 0.02 -0.52 0.59 1.05 -1.64 0.00 0.00 178.16 177.65 2jxx h GLU 57 N -0.67 1.17 -0.84 1.82 4.11 -1.56 -2.73 114.58 115.88 2jxx h GLU 57 Ca 0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 2jxx h GLU 57 Cb 0.68 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2jxx h GLU 57 CO -0.22 0.78 0.44 0.93 0.07 0.00 0.00 179.01 181.01 2jxx h GLU 58 N 1.20 1.19 -0.77 1.06 5.08 -1.24 0.28 114.58 121.39 2jxx h GLU 58 Ca 0.32 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 2jxx h GLU 58 Cb -0.14 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 28.83 2jxx h GLU 58 CO -0.07 0.88 0.45 0.00 -1.00 0.00 0.00 179.01 179.28 2jxx h ALA 59 N 1.24 1.05 -0.54 3.43 0.00 -1.01 -2.67 119.26 120.75 2jxx h ALA 59 Ca 0.29 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 2jxx h ALA 59 Cb 0.06 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 17.53 2jxx h ALA 59 CO -0.04 0.16 0.16 -1.33 0.00 0.00 0.00 179.25 178.19 2jxx n MET 60 N -4.71 2.41 -3.47 0.00 2.81 -1.14 -4.98 117.12 108.04 2jxx n MET 60 Ca 0.11 -3.08 -0.25 0.00 -1.81 0.00 0.00 57.70 52.67 2jxx n MET 60 Cb 0.18 -1.97 -0.01 0.00 -0.71 0.00 0.00 33.22 30.72 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 -0.88 -0.48 1.20 3.03 0.00 -0.65 -4.88 105.19 102.54 2jxx n GLY 61 Ca 0.39 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.81 3.43 -4.54 0.99 7.99 0.89 -4.95 117.00 117.00 2jxx n LEU 62 Ca -0.00 -1.74 -0.35 0.00 -0.01 0.00 0.00 56.01 53.91 2jxx n LEU 62 Cb 0.53 -0.56 -0.06 0.00 -0.11 0.00 0.00 43.42 43.23 2jxx n LEU 62 CO 0.56 0.47 2.02 -1.20 -1.51 0.00 0.00 177.39 177.72 2jxx n SER 63 N 0.39 1.88 0.00 -1.43 7.64 -1.23 -1.23 113.62 119.64 2jxx n SER 63 Ca 0.15 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2jxx n SER 63 Cb 0.72 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2jxx n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jxx n GLY 64 N 6.14 3.44 3.34 0.23 0.00 -1.26 -4.99 105.19 112.10 2jxx n GLY 64 Ca 0.43 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 3.27 -2.76 1.61 1.74 -0.36 -4.99 116.66 115.17 2jxx n ARG 65 Ca 0.00 -3.43 -0.40 0.00 -0.77 0.00 0.00 57.85 53.25 2jxx n ARG 65 Cb 0.00 -3.24 -0.06 0.00 -1.02 0.00 0.00 32.46 28.14 2jxx n ARG 65 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2jxx s LYS 66 N 2.66 4.83 0.25 5.56 2.20 -1.26 -4.82 119.74 129.17 2jxx s LYS 66 Ca 0.47 1.47 0.09 0.00 -0.36 0.00 0.00 55.97 57.65 2jxx s LYS 66 Cb 0.03 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2jxx s LYS 66 CO 0.02 0.49 0.04 -0.48 -0.36 0.00 0.00 175.35 175.06 2jxx s LEU 67 N -1.06 3.34 0.55 5.43 -0.00 -1.26 -5.07 118.68 120.60 2jxx s LEU 67 Ca 0.41 -0.53 -0.15 0.00 -0.00 0.00 0.00 54.13 53.86 2jxx s LEU 67 Cb -0.26 -1.88 -0.06 0.00 -0.00 0.00 0.00 46.19 43.99 2jxx s LEU 67 CO 0.32 0.00 1.01 -0.44 -0.00 0.00 0.00 176.35 177.24 2jxx s SER 68 N -3.62 6.35 -0.05 1.48 0.01 -0.00 -4.90 113.70 112.96 2jxx s SER 68 Ca 0.31 1.61 0.02 0.00 1.31 0.00 0.00 55.95 59.20 2jxx s SER 68 Cb -0.07 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2jxx s SER 68 CO 0.21 -0.77 -0.09 -0.36 0.41 0.00 0.00 173.24 172.64 2jxx s PHE 69 N -2.67 1.09 0.05 2.43 0.40 -1.26 -1.66 117.98 116.36 2jxx s PHE 69 Ca 0.59 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.63 2jxx s PHE 69 Cb -0.11 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 2jxx s PHE 69 CO 0.36 -0.21 -0.16 -0.06 0.70 0.00 0.00 175.22 175.85 2jxx s PHE 70 N 0.68 1.40 -0.08 0.36 0.40 -0.44 -1.96 117.98 118.33 2jxx s PHE 70 Ca -0.12 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.80 2jxx s PHE 70 Cb -0.14 -0.82 0.05 0.00 0.51 0.00 0.00 43.02 42.62 2jxx s PHE 70 CO 0.02 0.07 0.15 0.12 0.70 0.00 0.00 175.22 176.27 2jxx s PHE 71 N -0.94 -0.14 -1.52 0.36 5.36 -0.68 -0.65 117.98 119.77 2jxx s PHE 71 Ca 0.03 0.55 -0.03 0.00 -0.96 0.00 0.00 56.93 56.51 2jxx s PHE 71 Cb -0.09 -0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.31 2jxx s PHE 71 CO 0.02 -0.27 0.29 -3.47 -1.46 0.00 0.00 175.22 170.33 2jxx n ASP 72 N 5.32 -5.40 0.00 6.13 2.03 -1.26 -1.06 116.55 122.31 2jxx n ASP 72 Ca -0.04 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2jxx n ASP 72 Cb 0.50 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.45 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 -1.19 2.91 3.68 0.27 0.00 -1.26 -5.01 105.19 104.59 2jxx n GLY 73 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.77 4.05 -0.25 2.61 2.01 -0.23 -4.98 115.64 117.08 2jxx s THR 74 Ca 0.00 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.08 2jxx s THR 74 Cb 0.00 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2jxx s THR 74 CO 0.00 -0.03 1.59 -0.75 -0.69 0.00 0.00 174.62 174.74 2jxx s LYS 75 N 2.65 3.75 -0.41 4.92 2.47 -1.26 -1.69 119.74 130.18 2jxx s LYS 75 Ca 0.59 1.57 -0.28 0.00 -1.56 0.00 0.00 55.97 56.29 2jxx s LYS 75 Cb -0.27 -4.04 0.02 0.00 -1.46 0.00 0.00 37.83 32.09 2jxx s LYS 75 CO 0.22 -1.34 1.06 -0.51 0.16 0.00 0.00 175.35 174.95 2jxx s LEU 76 N 5.29 3.82 0.43 5.43 1.43 -0.83 -4.91 118.68 129.34 2jxx s LEU 76 Ca 0.70 0.65 0.24 0.00 -1.03 0.00 0.00 54.13 54.69 2jxx s LEU 76 Cb -0.23 -3.47 0.61 0.00 0.03 0.00 0.00 46.19 43.12 2jxx s LEU 76 CO 0.29 -1.05 1.69 -1.28 0.23 0.00 0.00 176.35 176.24 2jxx h SER 77 N 8.72 0.00 0.00 2.29 0.87 -1.94 -3.42 113.55 120.07 2jxx h SER 77 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2jxx h SER 77 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2jxx h SER 77 CO 1.06 0.14 0.00 0.61 -0.53 0.00 0.00 176.83 178.12 2jxx n GLY 78 N 0.72 1.42 0.80 5.77 0.00 -1.26 -4.93 105.19 107.72 2jxx n GLY 78 Ca 0.02 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 2.01 -3.58 1.61 1.74 -1.26 -1.72 116.66 115.46 2jxx n ARG 79 Ca 0.00 -1.57 -0.32 0.00 -0.77 0.00 0.00 57.85 55.19 2jxx n ARG 79 Cb 0.00 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.43 3.71 0.26 5.56 1.03 -1.26 -4.97 118.70 121.60 2jxx s GLU 80 Ca 0.30 0.08 -0.02 0.00 0.03 0.00 0.00 54.97 55.36 2jxx s GLU 80 Cb 0.15 -2.84 -0.04 0.00 -0.80 0.00 0.00 34.13 30.60 2jxx s GLU 80 CO 0.20 0.45 0.48 -0.51 -1.33 0.00 0.00 175.26 174.56 2jxx s LEU 81 N -2.49 4.12 0.25 1.83 1.43 -1.26 -1.25 118.68 121.31 2jxx s LEU 81 Ca 0.40 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2jxx s LEU 81 Cb -0.12 -3.33 0.31 0.00 0.03 0.00 0.00 46.19 43.08 2jxx s LEU 81 CO 0.22 -0.15 1.69 1.55 0.23 0.00 0.00 176.35 179.89 2jxx h PRO 82 N 1.61 0.64 0.00 1.29 0.13 -1.76 -1.41 132.00 132.50 2jxx h PRO 82 Ca -0.48 -0.24 -0.07 0.00 -0.87 0.00 0.00 66.00 64.34 2jxx h PRO 82 Cb 1.20 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2jxx h PRO 82 CO 0.66 0.80 -0.32 0.00 -0.23 0.00 0.00 178.00 178.91 2jxx h ALA 83 N 1.21 1.22 -0.24 -0.56 0.00 -1.84 -0.25 119.26 118.79 2jxx h ALA 83 Ca 0.09 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2jxx h ALA 83 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jxx h ALA 83 CO 0.05 0.40 -0.27 0.22 0.00 0.00 0.00 179.25 179.65 2jxx h ASP 84 N 0.00 0.66 1.10 0.00 3.58 -1.71 -3.16 116.42 116.90 2jxx h ASP 84 Ca -0.00 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 56.94 2jxx h ASP 84 Cb 0.68 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 2jxx h ASP 84 CO 0.04 1.02 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.26 2jxx h LEU 85 N 0.33 0.00 -0.99 2.28 3.38 -1.11 -3.48 115.31 115.72 2jxx h LEU 85 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jxx h LEU 85 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2jxx h LEU 85 CO 0.07 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2jxx n GLY 86 N 0.21 0.83 3.97 0.83 0.00 -0.71 -5.09 105.19 105.23 2jxx n GLY 86 Ca 0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.69 3.05 0.13 1.61 1.00 -0.19 -5.03 119.30 116.18 2jxx s MET 87 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 55.69 54.91 2jxx s MET 87 Cb 0.00 -2.64 -0.00 0.00 0.00 0.00 0.00 34.83 32.18 2jxx s MET 87 CO 0.00 -0.19 0.25 -2.00 0.00 0.00 0.00 175.02 173.08 2jxx s GLU 88 N -4.44 1.01 0.03 2.03 2.56 -1.26 -4.70 118.70 113.92 2jxx s GLU 88 Ca 0.48 -1.04 -0.30 0.00 0.00 0.00 0.00 54.97 54.11 2jxx s GLU 88 Cb -0.10 0.37 -0.09 0.00 2.00 0.00 0.00 34.13 36.31 2jxx s GLU 88 CO 0.36 -0.35 1.98 -1.13 -0.56 0.00 0.00 175.26 175.55 2jxx n SER 89 N -0.15 4.12 -0.03 -1.70 3.41 -1.26 -2.73 113.62 115.29 2jxx n SER 89 Ca -0.12 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 2jxx n SER 89 Cb 0.63 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 2jxx n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jxx n GLY 90 N 4.57 1.33 0.84 5.00 0.00 -0.30 -4.76 105.19 111.88 2jxx n GLY 90 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 0.15 0.42 -3.55 1.61 -0.08 -1.11 -4.98 116.55 109.01 2jxx n ASP 91 Ca 0.00 -1.31 -0.22 0.00 -1.51 0.00 0.00 54.79 51.74 2jxx n ASP 91 Cb 0.05 -0.10 -0.15 0.00 2.34 0.00 0.00 41.12 43.25 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 0.13 0.14 -2.67 2.96 -1.26 -2.73 118.68 115.25 2jxx s LEU 92 Ca 0.13 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 2jxx s LEU 92 Cb -0.01 0.05 -0.06 0.00 0.50 0.00 0.00 46.19 46.67 2jxx s LEU 92 CO 0.09 -0.34 0.41 -0.63 -1.32 0.00 0.00 176.35 174.55 2jxx s ILE 93 N 2.23 5.11 0.23 6.68 1.01 -0.04 -4.72 121.20 131.70 2jxx s ILE 93 Ca 0.04 0.23 0.12 0.00 0.00 0.00 0.00 60.65 61.03 2jxx s ILE 93 Cb -0.16 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2jxx s ILE 93 CO -0.11 0.10 -0.21 -1.61 0.00 0.00 0.00 174.94 173.11 2jxx s GLU 94 N -2.45 1.62 -0.01 2.79 2.02 0.18 -1.84 118.70 121.00 2jxx s GLU 94 Ca 0.40 -1.62 0.01 0.00 0.02 0.00 0.00 54.97 53.77 2jxx s GLU 94 Cb -0.12 -1.83 0.01 0.00 0.10 0.00 0.00 34.13 32.28 2jxx s GLU 94 CO 0.22 0.37 -0.02 0.08 0.02 0.00 0.00 175.26 175.93 2jxx s VAL 95 N -2.05 0.21 -0.02 2.63 1.01 0.01 -1.33 120.40 120.87 2jxx s VAL 95 Ca 0.25 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2jxx s VAL 95 Cb -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.10 2jxx s VAL 95 CO 0.12 0.09 -0.05 0.26 0.00 0.00 0.00 175.10 175.52 2jxx s TRP 96 N 0.26 0.60 0.00 5.22 0.52 -0.66 -0.10 118.94 124.77 2jxx s TRP 96 Ca -0.02 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 55.97 2jxx s TRP 96 Cb -0.05 -0.47 0.00 0.00 -1.15 0.00 0.00 33.47 31.80 2jxx s TRP 96 CO -0.01 -0.08 0.00 0.41 0.02 0.00 0.00 176.95 177.29