#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 0.60 -3.81 -0.78 0.28 -1.26 -4.74 120.64 110.93 2jxx n GLU 21 Ca 0.00 0.22 -0.36 0.00 -0.16 0.00 0.00 57.16 56.86 2jxx n GLU 21 Cb 0.00 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.26 2jxx n GLU 21 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2jxx s THR 22 N -2.51 3.34 -1.39 3.84 -1.32 -1.26 -5.05 115.64 111.30 2jxx s THR 22 Ca -0.37 -1.60 -0.10 0.00 -1.21 0.00 0.00 61.69 58.41 2jxx s THR 22 Cb 0.13 -3.07 0.09 0.00 -1.51 0.00 0.00 72.50 68.14 2jxx s THR 22 CO 0.52 -0.37 2.20 -0.24 -2.21 0.00 0.00 174.62 174.51 2jxx n SER 23 N 4.67 5.63 0.10 8.08 2.88 -1.26 -3.91 113.62 129.81 2jxx n SER 23 Ca -0.09 -2.97 -0.23 0.00 -1.33 0.00 0.00 58.87 54.26 2jxx n SER 23 Cb 0.43 -1.53 -0.15 0.00 -0.75 0.00 0.00 64.21 62.21 2jxx n SER 23 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2jxx h GLN 24 N 5.55 0.43 -6.51 -1.46 -0.00 -1.99 -3.49 115.11 107.65 2jxx h GLN 24 Ca 0.56 -0.74 -0.52 0.00 -0.00 0.00 0.00 58.65 57.94 2jxx h GLN 24 Cb 0.54 0.28 -0.01 0.00 -0.00 0.00 0.00 27.48 28.28 2jxx h GLN 24 CO 1.71 1.35 -0.11 1.14 -0.00 0.00 0.00 178.83 182.91 2jxx s GLN 25 N -2.59 3.68 0.13 0.06 1.03 -1.25 -2.87 119.66 117.85 2jxx s GLN 25 Ca -0.13 0.10 0.09 0.00 0.04 0.00 0.00 55.36 55.47 2jxx s GLN 25 Cb 0.05 -2.62 -0.04 0.00 0.03 0.00 0.00 33.01 30.43 2jxx s GLN 25 CO 0.89 0.21 -0.18 -0.51 -2.54 0.00 0.00 175.29 173.16 2jxx s LEU 26 N -3.42 2.67 -0.39 2.60 1.43 0.08 -4.59 118.68 117.06 2jxx s LEU 26 Ca 0.45 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 2jxx s LEU 26 Cb -0.11 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.65 2jxx s LEU 26 CO 0.28 0.16 0.24 -1.10 0.23 0.00 0.00 176.35 176.17 2jxx s GLN 27 N -2.28 2.86 -0.06 1.70 1.11 -1.26 -0.82 119.66 120.90 2jxx s GLN 27 Ca 0.19 -1.09 0.02 0.00 0.01 0.00 0.00 55.36 54.49 2jxx s GLN 27 Cb -0.10 -3.82 -0.03 0.00 -1.01 0.00 0.00 33.01 28.05 2jxx s GLN 27 CO 0.10 -0.73 -0.10 -0.51 0.01 0.00 0.00 175.29 174.05 2jxx s LEU 28 N 1.59 2.96 -0.39 2.90 2.01 -0.65 -1.16 118.68 125.94 2jxx s LEU 28 Ca 0.03 -0.11 -0.19 0.00 0.01 0.00 0.00 54.13 53.86 2jxx s LEU 28 Cb -0.19 -1.63 0.01 0.00 0.01 0.00 0.00 46.19 44.39 2jxx s LEU 28 CO 0.08 0.35 0.57 -0.13 1.01 0.00 0.00 176.35 178.23 2jxx s ARG 29 N -0.73 3.47 -0.37 1.70 0.52 -0.87 -2.03 118.95 120.64 2jxx s ARG 29 Ca 0.11 -0.24 -0.14 0.00 -0.52 0.00 0.00 55.73 54.94 2jxx s ARG 29 Cb -0.11 -3.87 -0.00 0.00 0.52 0.00 0.00 34.95 31.49 2jxx s ARG 29 CO 0.01 -0.80 0.29 0.14 0.02 0.00 0.00 175.30 174.96 2jxx s VAL 30 N 2.57 5.24 -0.05 3.52 -7.23 0.77 -0.73 120.40 124.49 2jxx s VAL 30 Ca 0.21 -0.30 0.04 0.00 -1.81 0.00 0.00 61.98 60.11 2jxx s VAL 30 Cb -0.15 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.98 2jxx s VAL 30 CO 0.15 -0.14 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.55 2jxx s GLN 31 N 1.79 1.85 0.73 4.82 -0.21 -1.04 -1.54 119.66 126.06 2jxx s GLN 31 Ca 0.07 -0.58 -0.08 0.00 0.02 0.00 0.00 55.36 54.80 2jxx s GLN 31 Cb -0.18 -1.56 0.06 0.00 1.00 0.00 0.00 33.01 32.34 2jxx s GLN 31 CO 0.11 0.18 1.05 0.20 -2.12 0.00 0.00 175.29 174.71 2jxx s GLY 32 N 0.22 1.66 0.37 3.09 0.00 -0.59 -1.37 107.32 110.70 2jxx s GLY 32 Ca -0.08 -0.85 0.19 0.00 0.00 0.00 0.00 44.72 43.98 2jxx s GLY 32 CO 0.03 -0.43 1.54 0.50 0.00 0.00 0.00 173.10 174.74 2jxx h LYS 33 N -0.71 0.00 -6.37 2.90 1.57 -1.80 -3.41 116.57 108.75 2jxx h LYS 33 Ca -0.45 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.78 2jxx h LYS 33 Cb 1.32 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 2jxx h LYS 33 CO 0.62 0.00 0.06 -1.21 -0.57 0.00 0.00 179.45 178.35 2jxx s GLU 34 N -3.52 4.36 0.30 3.15 2.02 -1.26 -5.00 118.70 118.76 2jxx s GLU 34 Ca -0.02 0.92 0.02 0.00 0.02 0.00 0.00 54.97 55.91 2jxx s GLU 34 Cb 0.06 -3.24 0.48 0.00 0.10 0.00 0.00 34.13 31.52 2jxx s GLU 34 CO 0.18 0.61 1.81 1.57 0.02 0.00 0.00 175.26 179.44 2jxx h LYS 35 N 4.43 0.59 -0.37 1.61 2.10 -2.02 -2.76 116.57 120.14 2jxx h LYS 35 Ca -0.48 -0.16 -0.11 0.00 -2.00 0.00 0.00 60.65 57.90 2jxx h LYS 35 Cb 1.21 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2jxx h LYS 35 CO 0.65 0.66 -0.21 1.25 -2.00 0.00 0.00 179.45 179.79 2jxx h HIS 36 N 0.55 0.81 -0.81 0.07 2.76 -1.94 -3.39 115.15 113.20 2jxx h HIS 36 Ca 0.11 -0.18 -0.47 0.00 -2.20 0.00 0.00 60.37 57.63 2jxx h HIS 36 Cb 0.44 -0.20 -0.07 0.00 1.55 0.00 0.00 27.41 29.14 2jxx h HIS 36 CO 0.02 0.87 1.33 -1.14 -1.30 0.00 0.00 177.93 177.71 2jxx s GLN 37 N -4.62 3.14 -0.11 5.26 2.00 -1.04 -4.91 119.66 119.38 2jxx s GLN 37 Ca -0.09 -1.07 0.02 0.00 -2.00 0.00 0.00 55.36 52.22 2jxx s GLN 37 Cb 0.13 -5.29 0.01 0.00 0.80 0.00 0.00 33.01 28.67 2jxx s GLN 37 CO 0.83 -2.93 -0.19 0.99 -0.50 0.00 0.00 175.29 173.49 2jxx s THR 38 N 7.58 1.73 0.00 -0.34 2.01 -1.26 -1.55 115.64 123.82 2jxx s THR 38 Ca 0.59 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2jxx s THR 38 Cb -0.01 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.95 2jxx s THR 38 CO 0.01 0.49 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.20 2jxx s LEU 39 N 0.77 2.06 -0.02 4.42 1.98 -0.59 -5.02 118.68 122.28 2jxx s LEU 39 Ca -0.10 -0.12 0.02 0.00 -2.89 0.00 0.00 54.13 51.04 2jxx s LEU 39 Cb -0.16 0.01 0.00 0.00 0.66 0.00 0.00 46.19 46.71 2jxx s LEU 39 CO 0.01 -0.07 -0.07 -1.83 -1.89 0.00 0.00 176.35 172.50 2jxx s GLU 40 N -0.35 0.75 0.02 1.98 -1.05 -1.26 -0.17 118.70 118.63 2jxx s GLU 40 Ca -0.04 -0.24 -0.00 0.00 -0.15 0.00 0.00 54.97 54.54 2jxx s GLU 40 Cb -0.02 -0.73 -0.02 0.00 -0.44 0.00 0.00 34.13 32.92 2jxx s GLU 40 CO -0.00 0.10 -0.02 0.54 0.95 0.00 0.00 175.26 176.82 2jxx s VAL 41 N 0.16 0.13 -0.46 1.83 0.11 -0.86 -4.98 120.40 116.32 2jxx s VAL 41 Ca -0.02 -1.05 -0.20 0.00 -2.93 0.00 0.00 61.98 57.77 2jxx s VAL 41 Cb -0.07 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2jxx s VAL 41 CO 0.00 -0.58 0.65 -0.44 -3.33 0.00 0.00 175.10 171.40 2jxx s SER 42 N -1.71 6.30 -0.16 3.54 0.01 -1.26 -1.64 113.70 118.77 2jxx s SER 42 Ca -0.12 -0.48 -0.06 0.00 1.31 0.00 0.00 55.95 56.60 2jxx s SER 42 Cb -0.07 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2jxx s SER 42 CO -0.02 -0.83 0.03 -0.22 0.41 0.00 0.00 173.24 172.61 2jxx s LEU 43 N 2.84 3.68 0.50 2.44 2.96 -0.00 -4.92 118.68 126.16 2jxx s LEU 43 Ca 0.21 0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.99 2jxx s LEU 43 Cb -0.15 -1.91 -0.08 0.00 0.50 0.00 0.00 46.19 44.55 2jxx s LEU 43 CO 0.17 0.21 1.01 -0.44 -1.32 0.00 0.00 176.35 175.98 2jxx s SER 44 N 0.17 6.42 0.51 3.68 0.01 -1.26 -0.74 113.70 122.48 2jxx s SER 44 Ca 0.03 1.79 0.33 0.00 1.31 0.00 0.00 55.95 59.41 2jxx s SER 44 Cb -0.13 -2.54 1.50 0.00 0.21 0.00 0.00 66.02 65.06 2jxx s SER 44 CO 0.01 -0.72 1.99 0.08 0.41 0.00 0.00 173.24 175.01 2jxx h ARG 45 N 1.32 0.00 0.01 12.44 0.11 -1.88 -2.79 114.38 123.59 2jxx h ARG 45 Ca -0.48 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.28 2jxx h ARG 45 Cb 1.20 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.23 2jxx h ARG 45 CO 0.60 0.00 -1.92 -3.47 0.10 0.00 0.00 179.97 175.28 2jxx n ASP 46 N -2.88 0.77 -4.81 0.08 2.03 -1.26 -4.27 116.55 106.21 2jxx n ASP 46 Ca 0.00 0.28 -0.38 0.00 0.52 0.00 0.00 54.79 55.21 2jxx n ASP 46 Cb 0.23 0.14 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 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 -6.01 7.10 0.75 1.67 0.01 -1.05 -5.00 113.70 111.16 2jxx s SER 47 Ca -0.08 1.32 -0.12 0.00 1.31 0.00 0.00 55.95 58.37 2jxx s SER 47 Cb 0.07 -2.38 0.05 0.00 0.21 0.00 0.00 66.02 63.97 2jxx s SER 47 CO 0.82 0.24 1.12 -2.84 0.41 0.00 0.00 173.24 172.98 2jxx s PRO 48 N -1.23 2.27 0.48 12.44 0.02 -1.26 -4.40 135.00 143.32 2jxx s PRO 48 Ca 0.31 1.36 0.24 0.00 0.02 0.00 0.00 61.00 62.94 2jxx s PRO 48 Cb -0.20 -1.89 1.29 0.00 0.02 0.00 0.00 34.50 33.73 2jxx s PRO 48 CO 0.20 -1.66 1.88 -0.07 -0.33 0.00 0.00 177.00 177.03 2jxx h LEU 49 N -0.74 0.19 -1.42 -5.54 -0.00 -0.64 -2.53 115.31 104.63 2jxx h LEU 49 Ca -0.45 0.02 0.03 0.00 -0.00 0.00 0.00 57.88 57.48 2jxx h LEU 49 Cb 1.25 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.86 2jxx h LEU 49 CO 0.51 0.07 0.42 0.07 -0.00 0.00 0.00 178.44 179.52 2jxx h LYS 50 N 0.19 0.74 -0.19 1.13 5.09 -1.50 -0.20 116.57 121.82 2jxx h LYS 50 Ca 0.43 -0.04 -0.10 0.00 0.09 0.00 0.00 60.65 61.03 2jxx h LYS 50 Cb 1.39 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 33.54 2jxx h LYS 50 CO -0.09 0.49 -0.30 0.00 -2.09 0.00 0.00 179.45 177.46 2jxx h THR 51 N 0.76 1.27 -0.23 0.07 1.03 -1.75 -1.45 112.91 112.61 2jxx h THR 51 Ca 0.26 -1.32 -0.18 0.00 -0.01 0.00 0.00 66.41 65.15 2jxx h THR 51 Cb 0.07 1.46 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 2jxx h THR 51 CO -0.07 0.41 -0.57 0.25 -0.01 0.00 0.00 175.52 175.53 2jxx h LEU 52 N 0.33 0.90 -0.41 0.00 6.46 -1.44 -2.80 115.31 118.36 2jxx h LEU 52 Ca 0.04 -0.56 0.02 0.00 -0.12 0.00 0.00 57.88 57.26 2jxx h LEU 52 Cb 0.70 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 2jxx h LEU 52 CO 0.05 1.31 0.23 0.24 -0.62 0.00 0.00 178.44 179.65 2jxx h MET 53 N 0.55 0.46 0.00 1.25 2.86 -0.81 -1.81 114.93 117.43 2jxx h MET 53 Ca -0.01 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 2jxx h MET 53 Cb 1.19 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2jxx h MET 53 CO 0.12 0.30 -0.33 0.66 1.06 0.00 0.00 176.91 178.73 2jxx h SER 54 N 0.47 0.00 -0.07 1.22 4.64 -1.33 -2.78 113.55 115.70 2jxx h SER 54 Ca 0.16 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 2jxx h SER 54 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2jxx h SER 54 CO -0.08 0.33 -0.13 -0.74 -0.87 0.00 0.00 176.83 175.34 2jxx h HIS 55 N 0.00 0.26 0.36 4.77 6.17 -1.15 -3.01 115.15 122.54 2jxx h HIS 55 Ca -0.00 -0.09 -0.00 0.00 0.71 0.00 0.00 60.37 60.98 2jxx h HIS 55 Cb 0.66 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.51 2jxx h HIS 55 CO 0.00 0.72 -0.47 -0.92 0.71 0.00 0.00 177.93 177.97 2jxx h TYR 56 N -0.28 -1.30 -0.15 5.26 3.20 -1.23 -2.19 116.97 120.29 2jxx h TYR 56 Ca 0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2jxx h TYR 56 Cb 0.70 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 2jxx h TYR 56 CO 0.11 -0.61 0.10 1.05 -1.64 0.00 0.00 178.16 177.18 2jxx h GLU 57 N -0.86 0.13 -0.24 1.82 4.11 -1.60 -1.41 114.58 116.53 2jxx h GLU 57 Ca -0.03 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.27 2jxx h GLU 57 Cb 0.79 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2jxx h GLU 57 CO -0.13 0.09 -0.32 0.93 0.07 0.00 0.00 179.01 179.65 2jxx h GLU 58 N 0.14 0.64 -0.07 1.06 5.08 -1.44 0.23 114.58 120.22 2jxx h GLU 58 Ca 0.06 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2jxx h GLU 58 Cb 0.07 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2jxx h GLU 58 CO -0.01 0.98 -0.30 0.00 -1.00 0.00 0.00 179.01 178.68 2jxx h ALA 59 N 0.65 -0.37 -0.77 3.43 0.00 -0.59 -2.89 119.26 118.72 2jxx h ALA 59 Ca 0.03 0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.47 2jxx h ALA 59 Cb 0.90 0.54 -0.27 0.00 0.00 0.00 0.00 17.79 18.97 2jxx h ALA 59 CO 0.08 -0.78 0.28 -1.33 0.00 0.00 0.00 179.25 177.49 2jxx n MET 60 N -5.40 2.47 -4.08 0.00 2.81 -1.20 -4.97 117.12 106.76 2jxx n MET 60 Ca -0.04 -3.33 -0.28 0.00 -1.81 0.00 0.00 57.70 52.23 2jxx n MET 60 Cb 0.31 -2.12 -0.04 0.00 -0.71 0.00 0.00 33.22 30.66 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 -1.01 -0.23 0.70 3.03 0.00 -1.09 -4.88 105.19 101.71 2jxx n GLY 61 Ca 0.51 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -4.43 1.72 -4.68 0.99 7.99 0.80 -4.90 117.00 114.49 2jxx n LEU 62 Ca -0.25 -0.87 -0.42 0.00 -0.01 0.00 0.00 56.01 54.46 2jxx n LEU 62 Cb 0.66 -0.52 -0.03 0.00 -0.11 0.00 0.00 43.42 43.42 2jxx n LEU 62 CO 0.79 0.33 1.17 -0.94 -1.51 0.00 0.00 177.39 177.22 2jxx s SER 63 N 0.07 6.82 0.00 -1.43 1.04 -1.25 -4.06 113.70 114.89 2jxx s SER 63 Ca 0.05 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2jxx s SER 63 Cb 0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2jxx s SER 63 CO 0.01 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2jxx n GLY 64 N 3.74 1.94 3.60 7.32 0.00 -1.26 -5.03 105.19 115.49 2jxx n GLY 64 Ca 0.14 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 3.87 0.43 1.61 1.81 -1.26 -5.07 118.95 120.34 2jxx s ARG 65 Ca 0.00 0.43 -0.21 0.00 -1.72 0.00 0.00 55.73 54.24 2jxx s ARG 65 Cb 0.00 -3.76 -0.11 0.00 -0.45 0.00 0.00 34.95 30.63 2jxx s ARG 65 CO 0.00 -0.73 0.94 0.21 -0.68 0.00 0.00 175.30 175.04 2jxx s LYS 66 N 2.97 4.21 0.09 3.54 2.47 -1.26 -4.94 119.74 126.81 2jxx s LYS 66 Ca 0.31 1.10 0.07 0.00 -1.56 0.00 0.00 55.97 55.88 2jxx s LYS 66 Cb -0.14 -2.19 -0.03 0.00 -1.46 0.00 0.00 37.83 34.01 2jxx s LYS 66 CO 0.14 -0.03 -0.18 -0.48 0.16 0.00 0.00 175.35 174.96 2jxx s LEU 67 N -3.20 2.29 0.34 5.43 -0.00 -1.26 -4.90 118.68 117.38 2jxx s LEU 67 Ca 0.62 -0.65 -0.01 0.00 -0.00 0.00 0.00 54.13 54.08 2jxx s LEU 67 Cb -0.09 -0.71 -0.04 0.00 -0.00 0.00 0.00 46.19 45.35 2jxx s LEU 67 CO 0.14 -0.00 0.57 -0.44 -0.00 0.00 0.00 176.35 176.61 2jxx s SER 68 N -1.83 6.32 -0.10 1.48 0.01 -0.58 -4.90 113.70 114.12 2jxx s SER 68 Ca 0.03 0.55 0.03 0.00 1.31 0.00 0.00 55.95 57.86 2jxx s SER 68 Cb -0.10 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.06 2jxx s SER 68 CO 0.03 -0.29 -0.17 -0.36 0.41 0.00 0.00 173.24 172.85 2jxx s PHE 69 N -2.30 2.05 -0.08 2.43 0.40 -1.26 -1.34 117.98 117.89 2jxx s PHE 69 Ca 0.41 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 2jxx s PHE 69 Cb -0.10 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.00 2jxx s PHE 69 CO 0.35 -0.42 -0.15 -0.06 0.70 0.00 0.00 175.22 175.64 2jxx s PHE 70 N 0.71 1.77 -0.36 0.36 0.40 -0.83 -1.89 117.98 118.15 2jxx s PHE 70 Ca -0.12 -0.69 -0.08 0.00 -0.60 0.00 0.00 56.93 55.44 2jxx s PHE 70 Cb -0.16 -1.26 0.04 0.00 0.51 0.00 0.00 43.02 42.15 2jxx s PHE 70 CO 0.03 -0.32 0.15 0.12 0.70 0.00 0.00 175.22 175.89 2jxx s PHE 71 N 0.59 3.26 -1.85 0.36 5.36 -0.58 -0.18 117.98 124.95 2jxx s PHE 71 Ca -0.15 -1.33 0.00 0.00 -0.96 0.00 0.00 56.93 54.49 2jxx s PHE 71 Cb -0.16 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 2jxx s PHE 71 CO 0.05 -0.72 0.00 -3.47 -1.46 0.00 0.00 175.22 169.62 2jxx n ASP 72 N 4.87 -5.67 0.00 6.13 2.03 -1.26 -1.52 116.55 121.12 2jxx n ASP 72 Ca -0.12 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2jxx n ASP 72 Cb 0.45 -4.77 0.00 0.00 -0.72 0.00 0.00 41.12 36.08 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 -0.86 1.19 3.67 0.27 0.00 -1.26 -5.04 105.19 103.16 2jxx n GLY 73 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.38 4.63 -0.13 2.61 2.01 -0.58 -4.97 115.64 115.83 2jxx s THR 74 Ca 0.00 1.94 -0.29 0.00 0.31 0.00 0.00 61.69 63.64 2jxx s THR 74 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2jxx s THR 74 CO 0.00 -0.09 1.66 -0.75 -0.69 0.00 0.00 174.62 174.75 2jxx s LYS 75 N 2.69 3.99 -0.26 4.92 2.47 -1.26 -1.52 119.74 130.77 2jxx s LYS 75 Ca 0.48 1.97 -0.18 0.00 -1.56 0.00 0.00 55.97 56.68 2jxx s LYS 75 Cb -0.18 -4.02 -0.03 0.00 -1.46 0.00 0.00 37.83 32.15 2jxx s LYS 75 CO 0.13 -1.07 0.52 -0.51 0.16 0.00 0.00 175.35 174.58 2jxx s LEU 76 N 4.65 4.06 0.38 5.43 1.43 -0.79 -4.96 118.68 128.88 2jxx s LEU 76 Ca 0.73 0.53 0.20 0.00 -1.03 0.00 0.00 54.13 54.57 2jxx s LEU 76 Cb -0.30 -2.67 0.42 0.00 0.03 0.00 0.00 46.19 43.67 2jxx s LEU 76 CO 0.29 -0.28 1.61 -1.28 0.23 0.00 0.00 176.35 176.93 2jxx h SER 77 N 7.97 0.00 0.00 2.29 0.87 -1.94 -3.43 113.55 119.32 2jxx h SER 77 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2jxx h SER 77 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2jxx h SER 77 CO 0.72 0.26 0.00 0.61 -0.53 0.00 0.00 176.83 177.89 2jxx n GLY 78 N 0.87 2.77 0.12 5.77 0.00 -1.26 -4.93 105.19 108.54 2jxx n GLY 78 Ca 0.02 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 0.25 -2.39 1.61 1.74 -1.26 -1.42 116.66 115.19 2jxx n ARG 79 Ca 0.00 0.30 -0.35 0.00 -0.77 0.00 0.00 57.85 57.03 2jxx n ARG 79 Cb 0.00 -1.85 -0.02 0.00 -1.02 0.00 0.00 32.46 29.57 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 -3.19 3.67 0.21 5.56 1.03 -1.26 -4.84 118.70 119.87 2jxx s GLU 80 Ca 0.08 1.53 0.03 0.00 0.03 0.00 0.00 54.97 56.64 2jxx s GLU 80 Cb 0.11 -2.16 -0.03 0.00 -0.80 0.00 0.00 34.13 31.25 2jxx s GLU 80 CO 0.53 -0.57 0.35 -0.51 -1.33 0.00 0.00 175.26 173.72 2jxx s LEU 81 N -3.44 4.29 0.43 1.83 1.43 -1.26 -1.18 118.68 120.78 2jxx s LEU 81 Ca 0.68 0.19 0.30 0.00 -1.03 0.00 0.00 54.13 54.26 2jxx s LEU 81 Cb -0.22 -2.96 1.41 0.00 0.03 0.00 0.00 46.19 44.46 2jxx s LEU 81 CO 0.26 -0.03 1.90 1.55 0.23 0.00 0.00 176.35 180.25 2jxx h PRO 82 N 1.64 0.00 -0.55 1.29 0.13 -1.78 -0.60 132.00 132.14 2jxx h PRO 82 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2jxx h PRO 82 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2jxx h PRO 82 CO 0.65 0.00 0.07 0.00 -0.23 0.00 0.00 178.00 178.49 2jxx h ALA 83 N 2.08 0.73 -0.22 -0.56 0.00 -1.85 0.17 119.26 119.61 2jxx h ALA 83 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2jxx h ALA 83 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jxx h ALA 83 CO 0.00 0.49 -0.09 -0.44 0.00 0.00 0.00 179.25 179.22 2jxx h ASP 84 N 0.81 0.46 1.07 0.00 3.32 -1.47 -3.12 116.42 117.48 2jxx h ASP 84 Ca 0.16 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2jxx h ASP 84 Cb 0.43 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2jxx h ASP 84 CO 0.01 0.75 0.00 0.18 -1.72 0.00 0.00 179.24 178.46 2jxx n LEU 85 N -4.56 0.78 -0.33 1.55 4.77 -1.07 -4.92 117.00 113.22 2jxx n LEU 85 Ca -0.04 0.64 -0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2jxx n LEU 85 Cb 0.32 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2jxx n LEU 85 CO 0.39 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 2jxx n GLY 86 N 0.55 0.69 3.94 -0.72 0.00 -1.02 -5.07 105.19 103.57 2jxx n GLY 86 Ca 0.03 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.59 2.81 0.21 1.61 1.00 0.02 -5.05 119.30 115.30 2jxx s MET 87 Ca 0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 55.69 55.16 2jxx s MET 87 Cb -0.00 -2.41 0.01 0.00 0.00 0.00 0.00 34.83 32.43 2jxx s MET 87 CO 0.01 -0.61 0.49 -2.00 0.00 0.00 0.00 175.02 172.91 2jxx s GLU 88 N -4.81 1.41 -0.19 2.03 2.12 -1.26 -4.74 118.70 113.26 2jxx s GLU 88 Ca 0.53 -1.01 -0.28 0.00 0.36 0.00 0.00 54.97 54.57 2jxx s GLU 88 Cb -0.10 0.49 -0.05 0.00 0.26 0.00 0.00 34.13 34.73 2jxx s GLU 88 CO 0.41 -0.59 2.10 0.45 -0.54 0.00 0.00 175.26 177.09 2jxx s SER 89 N -2.92 5.72 0.00 -1.70 0.15 -1.26 -2.03 113.70 111.66 2jxx s SER 89 Ca 0.14 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.73 2jxx s SER 89 Cb -0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2jxx s SER 89 CO 0.01 -1.74 0.00 0.61 1.20 0.00 0.00 173.24 173.32 2jxx n GLY 90 N 5.46 1.12 3.34 9.45 0.00 -0.31 -4.85 105.19 119.41 2jxx n GLY 90 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.60 -3.77 1.61 9.92 -0.86 -4.75 116.55 116.10 2jxx n ASP 91 Ca 0.00 -0.37 -0.26 0.00 -0.53 0.00 0.00 54.79 53.63 2jxx n ASP 91 Cb 0.00 -1.11 -0.17 0.00 -0.64 0.00 0.00 41.12 39.20 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 -6.08 1.08 0.05 0.64 2.96 -1.26 -2.06 118.68 114.01 2jxx s LEU 92 Ca 0.65 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 2jxx s LEU 92 Cb -0.19 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2jxx s LEU 92 CO 0.62 -0.25 0.19 -0.63 -1.32 0.00 0.00 176.35 174.97 2jxx s ILE 93 N 1.85 5.34 0.24 6.68 1.01 0.09 -4.35 121.20 132.06 2jxx s ILE 93 Ca 0.01 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.39 2jxx s ILE 93 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2jxx s ILE 93 CO -0.07 0.18 -0.02 -1.61 0.00 0.00 0.00 174.94 173.42 2jxx s GLU 94 N -2.38 2.27 -0.09 2.79 2.02 0.74 -2.49 118.70 121.56 2jxx s GLU 94 Ca 0.33 -1.35 -0.02 0.00 0.02 0.00 0.00 54.97 53.95 2jxx s GLU 94 Cb -0.13 -2.19 0.03 0.00 0.10 0.00 0.00 34.13 31.95 2jxx s GLU 94 CO 0.26 0.39 0.00 0.08 0.02 0.00 0.00 175.26 176.01 2jxx s VAL 95 N -2.14 0.42 -0.36 2.63 1.01 -0.47 -1.97 120.40 119.51 2jxx s VAL 95 Ca 0.30 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 2jxx s VAL 95 Cb -0.07 -0.62 0.07 0.00 0.00 0.00 0.00 36.38 35.76 2jxx s VAL 95 CO 0.19 0.21 0.14 0.26 0.00 0.00 0.00 175.10 175.89 2jxx s TRP 96 N 1.95 3.37 0.00 5.22 0.52 -0.45 -2.59 118.94 126.95 2jxx s TRP 96 Ca 0.04 -1.84 0.00 0.00 0.02 0.00 0.00 56.10 54.32 2jxx s TRP 96 Cb -0.13 -2.64 0.00 0.00 -1.15 0.00 0.00 33.47 29.56 2jxx s TRP 96 CO -0.06 -0.84 0.00 0.41 0.02 0.00 0.00 176.95 176.48