#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 4.32 -1.73 -2.82 4.07 -1.26 -5.12 120.64 118.11 2jxx n GLU 21 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 2jxx n GLU 21 Cb 0.00 -0.36 -0.03 0.00 -0.06 0.00 0.00 31.44 30.99 2jxx n GLU 21 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2jxx s THR 22 N 0.00 3.12 -0.19 6.31 -4.23 -1.26 -4.69 115.64 114.70 2jxx s THR 22 Ca 0.00 0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 2jxx s THR 22 Cb 0.00 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 2jxx s THR 22 CO 0.00 -0.01 0.13 -0.55 -0.54 0.00 0.00 174.62 173.64 2jxx s SER 23 N 4.29 6.18 -0.12 3.99 0.15 -1.26 -5.00 113.70 121.93 2jxx s SER 23 Ca 0.86 0.24 -0.15 0.00 0.70 0.00 0.00 55.95 57.60 2jxx s SER 23 Cb -0.41 -2.08 -0.13 0.00 -1.71 0.00 0.00 66.02 61.69 2jxx s SER 23 CO 0.39 0.20 0.38 -0.61 1.20 0.00 0.00 173.24 174.80 2jxx h GLN 24 N 6.54 0.00 -5.29 5.44 5.75 -1.99 -3.48 115.11 122.07 2jxx h GLN 24 Ca -0.42 0.00 -0.40 0.00 -0.15 0.00 0.00 58.65 57.69 2jxx h GLN 24 Cb 1.16 0.00 -0.20 0.00 1.07 0.00 0.00 27.48 29.51 2jxx h GLN 24 CO 0.74 0.51 -0.76 -0.65 -2.65 0.00 0.00 178.83 176.02 2jxx s GLN 25 N -1.91 0.89 -0.24 1.69 -0.21 -1.26 -3.22 119.66 115.40 2jxx s GLN 25 Ca -0.10 -1.09 -0.13 0.00 0.02 0.00 0.00 55.36 54.05 2jxx s GLN 25 Cb -0.01 -0.80 -0.04 0.00 1.00 0.00 0.00 33.01 33.16 2jxx s GLN 25 CO 0.36 0.16 0.29 -0.51 -2.12 0.00 0.00 175.29 173.47 2jxx s LEU 26 N -2.13 4.10 -0.61 2.90 1.43 0.55 -4.90 118.68 120.03 2jxx s LEU 26 Ca 0.03 0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 53.17 2jxx s LEU 26 Cb -0.07 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.88 2jxx s LEU 26 CO 0.02 -0.05 1.01 -1.10 0.23 0.00 0.00 176.35 176.46 2jxx s GLN 27 N 1.43 3.25 -0.12 1.70 -0.21 -1.26 -1.45 119.66 123.00 2jxx s GLN 27 Ca 0.13 -0.41 -0.01 0.00 0.02 0.00 0.00 55.36 55.09 2jxx s GLN 27 Cb -0.15 -4.12 -0.02 0.00 1.00 0.00 0.00 33.01 29.72 2jxx s GLN 27 CO 0.07 -1.68 -0.08 -0.51 -2.12 0.00 0.00 175.29 170.97 2jxx s LEU 28 N 4.27 3.03 -0.22 2.90 1.43 -0.83 -0.85 118.68 128.42 2jxx s LEU 28 Ca 0.29 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 2jxx s LEU 28 Cb -0.13 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2jxx s LEU 28 CO 0.16 0.22 0.17 -0.13 0.23 0.00 0.00 176.35 177.01 2jxx s ARG 29 N 0.02 4.12 -0.14 1.70 0.52 -0.91 -2.61 118.95 121.65 2jxx s ARG 29 Ca -0.02 -0.21 -0.04 0.00 -0.52 0.00 0.00 55.73 54.94 2jxx s ARG 29 Cb -0.14 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 31.80 2jxx s ARG 29 CO 0.03 0.14 0.00 0.08 0.02 0.00 0.00 175.30 175.57 2jxx s VAL 30 N 0.82 4.26 0.03 3.52 1.01 -0.06 -1.22 120.40 128.76 2jxx s VAL 30 Ca 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 2jxx s VAL 30 Cb -0.13 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2jxx s VAL 30 CO 0.03 0.52 -0.03 -1.10 0.00 0.00 0.00 175.10 174.51 2jxx s GLN 31 N -0.02 0.42 0.05 2.72 1.11 -0.50 -1.31 119.66 122.13 2jxx s GLN 31 Ca 0.03 -0.82 -0.00 0.00 0.01 0.00 0.00 55.36 54.58 2jxx s GLN 31 Cb -0.13 0.13 0.01 0.00 -1.01 0.00 0.00 33.01 32.02 2jxx s GLN 31 CO 0.02 -0.07 0.07 0.41 0.01 0.00 0.00 175.29 175.73 2jxx n GLY 32 N 1.09 0.66 0.28 3.09 0.00 -1.08 -1.07 105.19 108.16 2jxx n GLY 32 Ca -0.21 -1.95 0.28 0.00 0.00 0.00 0.00 46.02 44.15 2jxx n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jxx n LYS 33 N -1.12 -0.05 -3.05 1.61 2.85 -0.23 -3.63 118.16 114.54 2jxx n LYS 33 Ca 0.01 1.21 -0.42 0.00 -1.05 0.00 0.00 58.31 58.05 2jxx n LYS 33 Cb 0.04 -2.17 -0.06 0.00 -0.65 0.00 0.00 35.03 32.19 2jxx n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2jxx s GLU 34 N -5.33 3.55 0.41 -1.58 0.41 -1.26 -4.93 118.70 109.97 2jxx s GLU 34 Ca -0.08 -0.02 0.28 0.00 -0.41 0.00 0.00 54.97 54.74 2jxx s GLU 34 Cb 0.30 -3.87 1.10 0.00 -1.78 0.00 0.00 34.13 29.89 2jxx s GLU 34 CO 0.68 -0.89 1.84 1.57 -0.49 0.00 0.00 175.26 177.97 2jxx h LYS 35 N 8.66 0.00 0.00 1.61 2.10 -1.93 -2.13 116.57 124.88 2jxx h LYS 35 Ca -0.26 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.30 2jxx h LYS 35 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2jxx h LYS 35 CO 0.89 0.00 -0.46 0.45 -2.00 0.00 0.00 179.45 178.33 2jxx h HIS 36 N 0.00 0.00 -0.90 0.07 3.86 -1.91 -3.38 115.15 112.89 2jxx h HIS 36 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 2jxx h HIS 36 Cb 0.51 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.90 2jxx h HIS 36 CO 0.00 0.46 1.34 -1.14 0.86 0.00 0.00 177.93 179.45 2jxx s GLN 37 N -3.68 3.24 -0.07 2.45 2.00 -0.80 -4.97 119.66 117.84 2jxx s GLN 37 Ca -0.01 -1.01 0.03 0.00 -2.00 0.00 0.00 55.36 52.37 2jxx s GLN 37 Cb 0.12 -5.29 -0.02 0.00 0.80 0.00 0.00 33.01 28.62 2jxx s GLN 37 CO 0.72 -2.73 -0.16 0.99 -0.50 0.00 0.00 175.29 173.61 2jxx s THR 38 N 6.93 2.89 -0.02 -0.34 2.01 -1.26 -2.62 115.64 123.24 2jxx s THR 38 Ca 0.56 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2jxx s THR 38 Cb -0.01 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.37 2jxx s THR 38 CO -0.02 0.57 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.24 2jxx s LEU 39 N -0.39 1.59 -0.19 4.42 2.96 -0.43 -5.03 118.68 121.61 2jxx s LEU 39 Ca 0.04 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2jxx s LEU 39 Cb -0.12 -0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.36 2jxx s LEU 39 CO 0.02 -0.03 -0.03 -1.83 -1.32 0.00 0.00 176.35 173.16 2jxx s GLU 40 N 0.48 3.56 0.03 1.98 -1.05 -1.26 -0.88 118.70 121.56 2jxx s GLU 40 Ca -0.05 -0.55 0.03 0.00 -0.15 0.00 0.00 54.97 54.25 2jxx s GLU 40 Cb -0.08 -2.99 -0.02 0.00 -0.44 0.00 0.00 34.13 30.60 2jxx s GLU 40 CO -0.01 0.04 -0.09 0.54 0.95 0.00 0.00 175.26 176.69 2jxx s VAL 41 N 0.90 0.68 -0.46 1.83 0.11 -1.07 -5.01 120.40 117.37 2jxx s VAL 41 Ca 0.00 -0.88 -0.18 0.00 -2.93 0.00 0.00 61.98 57.99 2jxx s VAL 41 Cb -0.14 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 34.08 2jxx s VAL 41 CO 0.01 -0.17 0.53 -0.94 -3.33 0.00 0.00 175.10 171.21 2jxx s SER 42 N -1.15 6.22 -0.07 3.54 1.04 -1.26 -1.96 113.70 120.06 2jxx s SER 42 Ca -0.04 -0.81 -0.21 0.00 0.48 0.00 0.00 55.95 55.37 2jxx s SER 42 Cb -0.08 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 2jxx s SER 42 CO 0.01 -0.73 0.62 -0.22 0.98 0.00 0.00 173.24 173.89 2jxx s LEU 43 N 2.35 4.33 0.28 2.42 2.96 -0.53 -4.92 118.68 125.57 2jxx s LEU 43 Ca 0.14 1.08 -0.29 0.00 -0.22 0.00 0.00 54.13 54.84 2jxx s LEU 43 Cb -0.18 -2.94 -0.10 0.00 0.50 0.00 0.00 46.19 43.47 2jxx s LEU 43 CO 0.13 -0.03 1.11 -0.44 -1.32 0.00 0.00 176.35 175.80 2jxx s SER 44 N 0.52 7.23 0.52 3.68 0.01 -1.26 -0.33 113.70 124.08 2jxx s SER 44 Ca 0.33 2.30 0.21 0.00 1.31 0.00 0.00 55.95 60.09 2jxx s SER 44 Cb -0.17 -2.63 1.36 0.00 0.21 0.00 0.00 66.02 64.79 2jxx s SER 44 CO 0.16 -0.17 2.12 0.08 0.41 0.00 0.00 173.24 175.83 2jxx h ARG 45 N 3.82 0.00 0.00 12.44 0.11 -1.90 -1.74 114.38 127.12 2jxx h ARG 45 Ca -0.47 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.41 2jxx h ARG 45 Cb 1.21 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.26 2jxx h ARG 45 CO 0.67 0.08 -1.30 0.38 0.10 0.00 0.00 179.97 179.90 2jxx h ASP 46 N 0.00 0.00 -3.41 0.08 2.03 -1.92 -3.39 116.42 109.80 2jxx h ASP 46 Ca -0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 2jxx h ASP 46 Cb 0.15 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.61 2jxx h ASP 46 CO 0.01 0.78 0.15 -0.44 -1.03 0.00 0.00 179.24 178.71 2jxx s SER 47 N -6.14 7.18 0.84 4.15 0.01 -0.66 -4.95 113.70 114.13 2jxx s SER 47 Ca -0.02 1.41 -0.12 0.00 1.31 0.00 0.00 55.95 58.53 2jxx s SER 47 Cb 0.09 -2.46 0.10 0.00 0.21 0.00 0.00 66.02 63.96 2jxx s SER 47 CO 0.81 -0.01 1.19 -2.84 0.41 0.00 0.00 173.24 172.80 2jxx s PRO 48 N 0.10 1.43 0.57 12.44 0.02 -1.26 -4.38 135.00 143.92 2jxx s PRO 48 Ca 0.39 1.72 0.27 0.00 0.02 0.00 0.00 61.00 63.40 2jxx s PRO 48 Cb -0.20 -1.76 1.53 0.00 0.02 0.00 0.00 34.50 34.09 2jxx s PRO 48 CO 0.22 -2.36 2.01 -0.07 -0.33 0.00 0.00 177.00 176.48 2jxx h LEU 49 N -1.18 0.00 -1.67 -5.54 -0.00 -1.13 -2.30 115.31 103.48 2jxx h LEU 49 Ca -0.45 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.44 2jxx h LEU 49 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.93 2jxx h LEU 49 CO 0.45 0.00 0.24 0.07 -0.00 0.00 0.00 178.44 179.20 2jxx h LYS 50 N 0.00 0.43 -0.11 1.13 2.10 -1.49 0.66 116.57 119.29 2jxx h LYS 50 Ca 0.17 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.68 2jxx h LYS 50 Cb 0.81 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2jxx h LYS 50 CO -0.00 0.28 -0.40 0.00 -2.00 0.00 0.00 179.45 177.33 2jxx h THR 51 N 0.44 1.30 -0.10 0.07 1.03 -1.70 -0.77 112.91 113.19 2jxx h THR 51 Ca 0.14 -1.49 -0.23 0.00 -0.01 0.00 0.00 66.41 64.83 2jxx h THR 51 Cb 0.03 1.66 0.01 0.00 -1.07 0.00 0.00 68.15 68.78 2jxx h THR 51 CO -0.03 0.45 -0.84 0.25 -0.01 0.00 0.00 175.52 175.33 2jxx h LEU 52 N 0.21 0.82 -0.89 0.00 6.46 -1.44 -2.63 115.31 117.84 2jxx h LEU 52 Ca 0.02 -0.57 0.03 0.00 -0.12 0.00 0.00 57.88 57.23 2jxx h LEU 52 Cb 0.80 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.43 2jxx h LEU 52 CO 0.06 1.36 0.58 0.24 -0.62 0.00 0.00 178.44 180.06 2jxx h MET 53 N 0.44 1.10 -0.59 1.25 2.86 -0.60 -1.32 114.93 118.07 2jxx h MET 53 Ca -0.07 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 2jxx h MET 53 Cb 1.46 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 2jxx h MET 53 CO 0.16 0.73 0.16 0.77 1.06 0.00 0.00 176.91 179.79 2jxx h SER 54 N 1.14 0.89 0.01 1.22 0.02 -1.18 -2.91 113.55 112.74 2jxx h SER 54 Ca 0.35 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2jxx h SER 54 Cb -0.03 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.27 2jxx h SER 54 CO -0.11 0.88 -0.00 -0.74 -1.14 0.00 0.00 176.83 175.72 2jxx h HIS 55 N 0.85 -0.01 0.40 3.45 6.17 -0.98 -1.91 115.15 123.13 2jxx h HIS 55 Ca 0.19 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.26 2jxx h HIS 55 Cb 0.33 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 2jxx h HIS 55 CO 0.02 0.06 -0.42 -0.92 0.71 0.00 0.00 177.93 177.38 2jxx h TYR 56 N -0.08 -1.16 -0.69 5.26 3.20 -1.28 -1.49 116.97 120.73 2jxx h TYR 56 Ca -0.00 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 2jxx h TYR 56 Cb 0.08 0.45 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 2jxx h TYR 56 CO -0.05 -0.58 0.20 1.05 -1.64 0.00 0.00 178.16 177.14 2jxx h GLU 57 N -0.85 1.07 -0.24 1.82 4.11 -1.50 -2.86 114.58 116.14 2jxx h GLU 57 Ca -0.04 -0.23 -0.03 0.00 0.07 0.00 0.00 59.36 59.13 2jxx h GLU 57 Cb 0.76 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2jxx h GLU 57 CO -0.08 0.92 0.02 0.93 0.07 0.00 0.00 179.01 180.87 2jxx h GLU 58 N 1.03 0.41 0.28 1.06 4.39 -1.34 0.09 114.58 120.50 2jxx h GLU 58 Ca 0.22 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2jxx h GLU 58 Cb 0.31 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2jxx h GLU 58 CO -0.01 0.57 -0.17 0.00 -1.16 0.00 0.00 179.01 178.24 2jxx h ALA 59 N 0.82 -0.42 -0.90 3.43 0.00 -1.05 -3.16 119.26 118.00 2jxx h ALA 59 Ca 0.07 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 2jxx h ALA 59 Cb 0.37 0.20 -0.30 0.00 0.00 0.00 0.00 17.79 18.07 2jxx h ALA 59 CO 0.01 -0.74 0.50 -1.33 0.00 0.00 0.00 179.25 177.68 2jxx n MET 60 N -5.29 2.63 -4.07 0.00 2.81 -1.14 -4.95 117.12 107.11 2jxx n MET 60 Ca -0.09 -3.34 -0.33 0.00 -1.81 0.00 0.00 57.70 52.13 2jxx n MET 60 Cb 0.20 -2.22 -0.03 0.00 -0.71 0.00 0.00 33.22 30.47 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 -0.96 -0.43 2.11 3.03 0.00 -1.19 -4.88 105.19 102.86 2jxx n GLY 61 Ca 0.57 0.24 -0.18 0.00 0.00 0.00 0.00 46.02 46.65 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 -4.59 6.10 -4.68 0.99 7.99 0.02 -4.98 117.00 117.85 2jxx n LEU 62 Ca -0.24 -3.49 -0.42 0.00 -0.01 0.00 0.00 56.01 51.85 2jxx n LEU 62 Cb 0.65 -1.21 -0.03 0.00 -0.11 0.00 0.00 43.42 42.73 2jxx n LEU 62 CO 0.77 1.50 1.02 -0.44 -1.51 0.00 0.00 177.39 178.74 2jxx s SER 63 N 0.81 6.98 0.00 -1.43 0.01 -1.26 -3.59 113.70 115.22 2jxx s SER 63 Ca 0.46 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2jxx s SER 63 Cb 0.29 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2jxx s SER 63 CO -0.09 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2jxx n GLY 64 N 3.49 2.17 3.56 3.44 0.00 -1.26 -4.94 105.19 111.65 2jxx n GLY 64 Ca 0.12 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 3.03 0.40 1.61 0.52 -1.24 -5.01 118.95 118.27 2jxx s ARG 65 Ca 0.00 0.27 -0.23 0.00 -0.52 0.00 0.00 55.73 55.26 2jxx s ARG 65 Cb 0.00 -4.24 -0.11 0.00 0.52 0.00 0.00 34.95 31.13 2jxx s ARG 65 CO 0.00 -2.28 0.96 0.21 0.02 0.00 0.00 175.30 174.20 2jxx s LYS 66 N 6.11 4.31 0.13 3.54 2.47 -1.26 -4.84 119.74 130.20 2jxx s LYS 66 Ca 0.52 1.20 0.06 0.00 -1.56 0.00 0.00 55.97 56.19 2jxx s LYS 66 Cb -0.11 -2.36 -0.04 0.00 -1.46 0.00 0.00 37.83 33.86 2jxx s LYS 66 CO 0.20 0.04 -0.14 -0.48 0.16 0.00 0.00 175.35 175.13 2jxx s LEU 67 N -2.86 2.42 0.34 5.43 -0.00 -1.26 -4.98 118.68 117.77 2jxx s LEU 67 Ca 0.59 -0.84 -0.14 0.00 -0.00 0.00 0.00 54.13 53.73 2jxx s LEU 67 Cb -0.12 -0.57 -0.09 0.00 -0.00 0.00 0.00 46.19 45.41 2jxx s LEU 67 CO 0.17 -0.15 0.75 -0.44 -0.00 0.00 0.00 176.35 176.68 2jxx s SER 68 N -2.57 6.74 -0.10 1.48 0.01 -0.63 -4.91 113.70 113.72 2jxx s SER 68 Ca 0.11 1.27 0.04 0.00 1.31 0.00 0.00 55.95 58.68 2jxx s SER 68 Cb -0.04 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 2jxx s SER 68 CO 0.03 -0.24 -0.24 -0.36 0.41 0.00 0.00 173.24 172.85 2jxx s PHE 69 N -2.05 2.56 0.17 2.43 0.40 -1.26 -1.17 117.98 119.07 2jxx s PHE 69 Ca 0.54 -1.04 0.09 0.00 -0.60 0.00 0.00 56.93 55.92 2jxx s PHE 69 Cb -0.10 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 2jxx s PHE 69 CO 0.19 -0.41 -0.18 -0.06 0.70 0.00 0.00 175.22 175.46 2jxx s PHE 70 N 0.33 1.86 -0.14 0.36 0.40 -1.00 -1.40 117.98 118.39 2jxx s PHE 70 Ca -0.19 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 55.64 2jxx s PHE 70 Cb -0.18 -0.92 0.05 0.00 0.51 0.00 0.00 43.02 42.49 2jxx s PHE 70 CO 0.09 0.36 0.09 0.12 0.70 0.00 0.00 175.22 176.57 2jxx s PHE 71 N -2.09 0.14 -1.53 0.36 5.36 -0.43 -0.48 117.98 119.30 2jxx s PHE 71 Ca 0.17 -0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 55.96 2jxx s PHE 71 Cb -0.06 -0.63 0.01 0.00 -0.34 0.00 0.00 43.02 42.01 2jxx s PHE 71 CO 0.07 -0.44 0.24 -3.47 -1.46 0.00 0.00 175.22 170.16 2jxx n ASP 72 N 5.29 -5.40 0.00 6.13 2.03 -1.26 -1.41 116.55 121.93 2jxx n ASP 72 Ca -0.06 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2jxx n ASP 72 Cb 0.49 -4.46 0.00 0.00 -0.72 0.00 0.00 41.12 36.43 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 -1.15 0.99 3.66 0.27 0.00 -1.26 -5.04 105.19 102.67 2jxx n GLY 73 Ca -0.17 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 -3.64 4.83 -0.21 2.61 2.01 -0.50 -5.01 115.64 115.73 2jxx s THR 74 Ca 0.00 1.71 -0.29 0.00 0.31 0.00 0.00 61.69 63.42 2jxx s THR 74 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2jxx s THR 74 CO 0.00 -0.04 1.74 -0.75 -0.69 0.00 0.00 174.62 174.88 2jxx s LYS 75 N 2.51 3.70 -0.27 4.92 2.47 -1.26 -1.32 119.74 130.49 2jxx s LYS 75 Ca 0.39 1.78 -0.23 0.00 -1.56 0.00 0.00 55.97 56.34 2jxx s LYS 75 Cb -0.16 -4.11 -0.01 0.00 -1.46 0.00 0.00 37.83 32.10 2jxx s LYS 75 CO 0.10 -1.42 0.78 -0.51 0.16 0.00 0.00 175.35 174.46 2jxx s LEU 76 N 5.67 4.08 0.14 5.43 1.43 -0.49 -4.96 118.68 129.97 2jxx s LEU 76 Ca 0.77 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.77 2jxx s LEU 76 Cb -0.27 -3.09 -0.13 0.00 0.03 0.00 0.00 46.19 42.73 2jxx s LEU 76 CO 0.32 -0.53 1.32 0.28 0.23 0.00 0.00 176.35 177.97 2jxx h SER 77 N 7.88 0.05 0.00 2.29 0.02 -1.94 -3.41 113.55 118.44 2jxx h SER 77 Ca -0.24 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2jxx h SER 77 Cb 1.10 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2jxx h SER 77 CO 0.86 0.98 0.00 0.61 -1.14 0.00 0.00 176.83 178.14 2jxx n GLY 78 N 1.19 3.79 0.23 -3.77 0.00 -1.26 -4.97 105.19 100.41 2jxx n GLY 78 Ca -0.01 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.30 2jxx n GLY 78 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jxx h ARG 79 N 0.00 0.00 -7.06 1.61 3.08 -1.95 -1.26 114.38 108.79 2jxx h ARG 79 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 2jxx h ARG 79 Cb 0.00 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.12 2jxx h ARG 79 CO 0.00 0.00 0.45 -1.83 -1.07 0.00 0.00 179.97 177.52 2jxx s GLU 80 N -3.34 3.45 0.20 0.04 1.03 -1.26 -4.78 118.70 114.04 2jxx s GLU 80 Ca 0.05 1.66 0.04 0.00 0.03 0.00 0.00 54.97 56.76 2jxx s GLU 80 Cb 0.06 -2.11 -0.03 0.00 -0.80 0.00 0.00 34.13 31.25 2jxx s GLU 80 CO 0.63 -0.78 0.27 -0.51 -1.33 0.00 0.00 175.26 173.54 2jxx s LEU 81 N -3.60 4.15 0.30 1.83 1.43 -1.26 -1.33 118.68 120.21 2jxx s LEU 81 Ca 0.70 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2jxx s LEU 81 Cb -0.25 -2.71 0.49 0.00 0.03 0.00 0.00 46.19 43.74 2jxx s LEU 81 CO 0.29 0.00 1.80 1.55 0.23 0.00 0.00 176.35 180.23 2jxx h PRO 82 N 1.77 0.57 -0.59 1.29 0.13 -1.78 -2.07 132.00 131.31 2jxx h PRO 82 Ca -0.49 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 2jxx h PRO 82 Cb 1.21 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2jxx h PRO 82 CO 0.64 0.65 0.31 0.00 -0.23 0.00 0.00 178.00 179.37 2jxx h ALA 83 N 1.39 1.44 -0.20 -0.56 0.00 -1.84 0.10 119.26 119.59 2jxx h ALA 83 Ca 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jxx h ALA 83 Cb 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jxx h ALA 83 CO 0.02 0.46 -0.02 0.22 0.00 0.00 0.00 179.25 179.94 2jxx h ASP 84 N 0.82 0.37 1.31 0.00 3.58 -1.77 -2.95 116.42 117.78 2jxx h ASP 84 Ca 0.21 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2jxx h ASP 84 Cb 0.04 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2jxx h ASP 84 CO -0.03 0.61 0.00 -0.07 -2.88 0.00 0.00 179.24 176.87 2jxx h LEU 85 N 0.11 0.00 0.00 2.28 3.38 -1.34 -3.47 115.31 116.27 2jxx h LEU 85 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jxx h LEU 85 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2jxx h LEU 85 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2jxx n GLY 86 N 0.65 0.57 3.74 0.83 0.00 -0.55 -5.05 105.19 105.38 2jxx n GLY 86 Ca 0.03 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.07 2.62 0.06 1.61 -1.94 0.24 -5.00 119.30 114.82 2jxx s MET 87 Ca 0.00 1.76 -0.09 0.00 -1.71 0.00 0.00 55.69 55.65 2jxx s MET 87 Cb 0.00 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 34.95 2jxx s MET 87 CO 0.00 -1.47 0.20 -2.00 -0.01 0.00 0.00 175.02 171.74 2jxx s GLU 88 N -3.64 0.77 -0.11 2.03 -6.30 -1.26 -4.71 118.70 105.47 2jxx s GLU 88 Ca 0.75 -0.78 -0.32 0.00 -2.50 0.00 0.00 54.97 52.12 2jxx s GLU 88 Cb -0.29 0.31 -0.10 0.00 0.00 0.00 0.00 34.13 34.05 2jxx s GLU 88 CO 0.39 -0.23 1.99 -1.13 0.02 0.00 0.00 175.26 176.30 2jxx n SER 89 N 0.33 3.46 0.00 -1.70 3.41 -1.26 -1.96 113.62 115.91 2jxx n SER 89 Ca -0.17 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2jxx n SER 89 Cb 0.61 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 4.88 0.82 3.66 5.00 0.00 -0.03 -4.94 105.19 114.59 2jxx n GLY 90 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2jxx n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jxx s ASP 91 N -1.91 2.77 -0.25 1.61 1.01 -0.83 -4.77 116.67 114.31 2jxx s ASP 91 Ca 0.00 2.18 0.01 0.00 0.71 0.00 0.00 52.55 55.46 2jxx s ASP 91 Cb 0.00 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.43 2jxx s ASP 91 CO 0.00 -3.20 -0.05 -0.22 0.21 0.00 0.00 175.17 171.92 2jxx s LEU 92 N -6.66 2.83 0.27 1.23 2.96 -1.26 -2.14 118.68 115.91 2jxx s LEU 92 Ca 0.67 -1.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.16 2jxx s LEU 92 Cb -0.23 -1.25 -0.08 0.00 0.50 0.00 0.00 46.19 45.13 2jxx s LEU 92 CO 0.58 -0.25 0.63 -0.63 -1.32 0.00 0.00 176.35 175.37 2jxx s ILE 93 N 1.33 4.82 0.19 6.68 1.01 -0.36 -4.61 121.20 130.26 2jxx s ILE 93 Ca -0.04 0.68 0.08 0.00 0.00 0.00 0.00 60.65 61.36 2jxx s ILE 93 Cb -0.19 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2jxx s ILE 93 CO -0.07 -0.12 -0.03 -1.61 0.00 0.00 0.00 174.94 173.11 2jxx s GLU 94 N -2.90 2.28 -0.22 2.79 2.02 0.37 -1.41 118.70 121.64 2jxx s GLU 94 Ca 0.50 -1.20 -0.03 0.00 0.02 0.00 0.00 54.97 54.26 2jxx s GLU 94 Cb -0.11 -2.27 0.07 0.00 0.10 0.00 0.00 34.13 31.93 2jxx s GLU 94 CO 0.20 0.44 0.07 0.08 0.02 0.00 0.00 175.26 176.06 2jxx s VAL 95 N -1.80 0.37 -0.59 2.63 1.01 -0.23 -2.37 120.40 119.41 2jxx s VAL 95 Ca 0.27 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 2jxx s VAL 95 Cb -0.09 -1.01 0.15 0.00 0.00 0.00 0.00 36.38 35.43 2jxx s VAL 95 CO 0.18 -0.35 0.52 0.26 0.00 0.00 0.00 175.10 175.71 2jxx s TRP 96 N 1.91 3.40 0.00 5.22 0.52 -0.31 -1.07 118.94 128.61 2jxx s TRP 96 Ca 0.02 -1.61 0.00 0.00 0.02 0.00 0.00 56.10 54.53 2jxx s TRP 96 Cb -0.17 -3.72 0.00 0.00 -1.15 0.00 0.00 33.47 28.43 2jxx s TRP 96 CO -0.14 -1.00 0.00 0.41 0.02 0.00 0.00 176.95 176.24