#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 0.51 -3.25 -0.78 4.11 -2.01 -3.46 114.58 109.70 2jxx h GLU 21 Ca 0.00 -0.20 -0.06 0.00 0.07 0.00 0.00 59.36 59.16 2jxx h GLU 21 Cb 0.00 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.08 2jxx h GLU 21 CO 0.00 0.74 -0.09 -0.08 0.07 0.00 0.00 179.01 179.65 2jxx s THR 22 N -4.46 0.07 0.32 -1.06 -1.32 -1.26 -5.08 115.64 102.86 2jxx s THR 22 Ca -0.07 -0.54 0.06 0.00 -1.21 0.00 0.00 61.69 59.93 2jxx s THR 22 Cb 0.13 -1.08 0.10 0.00 -1.51 0.00 0.00 72.50 70.14 2jxx s THR 22 CO 0.80 -0.30 1.80 -1.28 -2.21 0.00 0.00 174.62 173.43 2jxx h SER 23 N 2.63 0.36 0.47 8.08 0.87 -2.06 -3.18 113.55 120.71 2jxx h SER 23 Ca -0.33 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2jxx h SER 23 Cb 1.23 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2jxx h SER 23 CO 0.46 0.58 0.00 0.00 -0.53 0.00 0.00 176.83 177.34 2jxx n GLN 24 N -4.17 0.18 -4.26 2.24 -0.00 -1.26 -4.69 117.38 105.42 2jxx n GLN 24 Ca -0.00 0.50 -0.28 0.00 -0.00 0.00 0.00 57.00 57.22 2jxx n GLN 24 Cb 0.35 -1.91 -0.10 0.00 -0.00 0.00 0.00 30.24 28.59 2jxx n GLN 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2jxx s GLN 25 N -3.40 2.09 0.11 2.61 1.03 -1.21 -1.54 119.66 119.34 2jxx s GLN 25 Ca 0.02 -1.16 0.07 0.00 0.04 0.00 0.00 55.36 54.33 2jxx s GLN 25 Cb 0.08 -2.22 -0.04 0.00 0.03 0.00 0.00 33.01 30.86 2jxx s GLN 25 CO 0.32 0.47 -0.11 -0.51 -2.54 0.00 0.00 175.29 172.92 2jxx s LEU 26 N -2.57 3.01 -0.39 2.60 1.43 0.09 -4.89 118.68 117.96 2jxx s LEU 26 Ca 0.23 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2jxx s LEU 26 Cb -0.10 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.37 2jxx s LEU 26 CO 0.15 0.17 0.23 -1.10 0.23 0.00 0.00 176.35 176.03 2jxx s GLN 27 N -2.23 2.75 -0.04 1.70 1.11 -1.26 -1.02 119.66 120.66 2jxx s GLN 27 Ca 0.21 -1.23 0.01 0.00 0.01 0.00 0.00 55.36 54.36 2jxx s GLN 27 Cb -0.11 -3.76 -0.03 0.00 -1.01 0.00 0.00 33.01 28.10 2jxx s GLN 27 CO 0.13 -0.80 -0.04 -0.51 0.01 0.00 0.00 175.29 174.08 2jxx s LEU 28 N 1.51 3.30 -0.24 2.90 2.01 -0.64 -0.84 118.68 126.68 2jxx s LEU 28 Ca 0.02 -0.02 -0.13 0.00 0.01 0.00 0.00 54.13 54.01 2jxx s LEU 28 Cb -0.21 -1.80 -0.04 0.00 0.01 0.00 0.00 46.19 44.15 2jxx s LEU 28 CO 0.05 0.33 0.26 -0.13 1.01 0.00 0.00 176.35 177.88 2jxx s ARG 29 N -1.10 4.08 -0.26 1.70 0.52 -0.85 -1.90 118.95 121.13 2jxx s ARG 29 Ca 0.15 -0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.22 2jxx s ARG 29 Cb -0.11 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.79 2jxx s ARG 29 CO 0.05 -0.05 0.03 0.08 0.02 0.00 0.00 175.30 175.43 2jxx s VAL 30 N 1.36 3.67 -0.01 3.52 1.01 -0.07 -0.88 120.40 129.00 2jxx s VAL 30 Ca 0.12 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2jxx s VAL 30 Cb -0.14 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 2jxx s VAL 30 CO 0.07 0.21 -0.10 -1.10 0.00 0.00 0.00 175.10 174.17 2jxx s GLN 31 N 1.47 0.87 0.59 2.72 -0.21 -0.61 -1.24 119.66 123.25 2jxx s GLN 31 Ca 0.03 -0.36 0.10 0.00 0.02 0.00 0.00 55.36 55.15 2jxx s GLN 31 Cb -0.16 -0.83 0.09 0.00 1.00 0.00 0.00 33.01 33.11 2jxx s GLN 31 CO 0.00 0.20 0.79 0.20 -2.12 0.00 0.00 175.29 174.35 2jxx s GLY 32 N -0.15 1.75 0.35 3.09 0.00 -0.59 -1.12 107.32 110.66 2jxx s GLY 32 Ca 0.02 -2.13 0.13 0.00 0.00 0.00 0.00 44.72 42.74 2jxx s GLY 32 CO -0.00 -1.72 1.28 0.50 0.00 0.00 0.00 173.10 173.16 2jxx h LYS 33 N 0.17 0.00 -5.91 2.90 1.57 -1.81 -3.41 116.57 110.08 2jxx h LYS 33 Ca -0.29 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.86 2jxx h LYS 33 Cb 1.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 2jxx h LYS 33 CO 0.41 0.00 -0.39 -1.21 -0.57 0.00 0.00 179.45 177.69 2jxx s GLU 34 N -3.35 3.57 0.36 3.15 2.02 -1.26 -4.99 118.70 118.21 2jxx s GLU 34 Ca -0.01 -0.09 0.12 0.00 0.02 0.00 0.00 54.97 55.00 2jxx s GLU 34 Cb 0.04 -3.07 0.70 0.00 0.10 0.00 0.00 34.13 31.89 2jxx s GLU 34 CO 0.12 0.64 1.82 1.57 0.02 0.00 0.00 175.26 179.43 2jxx h LYS 35 N 3.94 0.03 -0.84 1.61 2.10 -2.02 -2.96 116.57 118.41 2jxx h LYS 35 Ca -0.50 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.18 2jxx h LYS 35 Cb 1.20 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.47 2jxx h LYS 35 CO 0.67 0.39 0.55 1.25 -2.00 0.00 0.00 179.45 180.31 2jxx h HIS 36 N 0.02 1.00 -2.26 0.07 2.76 -1.94 -3.39 115.15 111.42 2jxx h HIS 36 Ca -0.00 0.02 -0.70 0.00 -2.20 0.00 0.00 60.37 57.49 2jxx h HIS 36 Cb 0.67 -0.33 -0.17 0.00 1.55 0.00 0.00 27.41 29.12 2jxx h HIS 36 CO 0.00 0.58 1.03 -1.14 -1.30 0.00 0.00 177.93 177.10 2jxx s GLN 37 N -5.88 3.74 -0.07 5.26 2.00 -1.12 -4.96 119.66 118.63 2jxx s GLN 37 Ca -0.11 -1.97 0.04 0.00 -2.00 0.00 0.00 55.36 51.31 2jxx s GLN 37 Cb 0.19 -4.99 0.00 0.00 0.80 0.00 0.00 33.01 29.01 2jxx s GLN 37 CO 0.79 -1.80 -0.18 0.99 -0.50 0.00 0.00 175.29 174.59 2jxx s THR 38 N 2.49 1.57 -0.03 -0.34 2.01 -1.26 -1.54 115.64 118.54 2jxx s THR 38 Ca 0.36 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 2jxx s THR 38 Cb -0.04 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.13 2jxx s THR 38 CO -0.06 0.45 0.05 -0.22 -0.69 0.00 0.00 174.62 174.15 2jxx s LEU 39 N 0.33 0.68 -0.12 4.42 1.98 -0.38 -5.03 118.68 120.56 2jxx s LEU 39 Ca -0.12 0.08 0.03 0.00 -2.89 0.00 0.00 54.13 51.23 2jxx s LEU 39 Cb -0.15 -0.06 0.01 0.00 0.66 0.00 0.00 46.19 46.65 2jxx s LEU 39 CO 0.05 -0.18 -0.22 -1.83 -1.89 0.00 0.00 176.35 172.28 2jxx s GLU 40 N 1.51 2.90 0.06 1.98 -1.05 -1.26 -0.89 118.70 121.95 2jxx s GLU 40 Ca -0.04 -0.82 0.03 0.00 -0.15 0.00 0.00 54.97 54.00 2jxx s GLU 40 Cb -0.13 -2.29 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 2jxx s GLU 40 CO -0.03 0.05 -0.10 0.54 0.95 0.00 0.00 175.26 176.67 2jxx s VAL 41 N 0.65 0.78 -0.49 1.83 0.11 -0.80 -5.00 120.40 117.49 2jxx s VAL 41 Ca -0.12 -1.26 -0.20 0.00 -2.93 0.00 0.00 61.98 57.48 2jxx s VAL 41 Cb -0.16 -0.90 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2jxx s VAL 41 CO 0.02 -0.37 0.63 -0.44 -3.33 0.00 0.00 175.10 171.61 2jxx s SER 42 N -1.80 6.25 -0.15 3.54 0.01 -1.26 -1.62 113.70 118.67 2jxx s SER 42 Ca -0.05 -0.73 -0.04 0.00 1.31 0.00 0.00 55.95 56.45 2jxx s SER 42 Cb -0.08 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2jxx s SER 42 CO 0.01 -0.86 -0.01 -0.22 0.41 0.00 0.00 173.24 172.57 2jxx s LEU 43 N 2.72 3.45 0.35 2.44 2.96 -0.19 -4.95 118.68 125.46 2jxx s LEU 43 Ca 0.17 -0.02 -0.26 0.00 -0.22 0.00 0.00 54.13 53.81 2jxx s LEU 43 Cb -0.17 -1.83 -0.10 0.00 0.50 0.00 0.00 46.19 44.59 2jxx s LEU 43 CO 0.14 0.21 1.00 -0.44 -1.32 0.00 0.00 176.35 175.94 2jxx s SER 44 N 0.11 7.12 0.00 3.68 0.01 -1.26 -0.73 113.70 122.63 2jxx s SER 44 Ca 0.01 1.94 0.16 0.00 1.31 0.00 0.00 55.95 59.38 2jxx s SER 44 Cb -0.13 -2.59 0.71 0.00 0.21 0.00 0.00 66.02 64.22 2jxx s SER 44 CO 0.02 -0.23 1.51 -2.11 0.41 0.00 0.00 173.24 172.84 2jxx n ARG 45 N 0.37 0.04 -0.06 12.44 1.85 -0.59 -1.69 116.66 129.02 2jxx n ARG 45 Ca 0.03 0.21 -0.10 0.00 -1.00 0.00 0.00 57.85 56.99 2jxx n ARG 45 Cb 0.49 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.26 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 -1.47 0.59 -4.76 2.89 2.03 -1.26 -3.88 116.55 110.70 2jxx n ASP 46 Ca 0.05 0.20 -0.40 0.00 0.52 0.00 0.00 54.79 55.16 2jxx n ASP 46 Cb 0.18 0.35 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 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 -5.89 7.50 0.72 1.67 0.01 -0.68 -4.94 113.70 112.09 2jxx s SER 47 Ca -0.09 1.77 -0.15 0.00 1.31 0.00 0.00 55.95 58.79 2jxx s SER 47 Cb 0.07 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.79 2jxx s SER 47 CO 0.82 0.16 1.21 -2.84 0.41 0.00 0.00 173.24 173.00 2jxx s PRO 48 N -1.01 2.16 0.54 12.44 0.02 -1.26 -4.32 135.00 143.57 2jxx s PRO 48 Ca 0.39 1.79 0.27 0.00 0.02 0.00 0.00 61.00 63.47 2jxx s PRO 48 Cb -0.24 -1.83 1.44 0.00 0.02 0.00 0.00 34.50 33.88 2jxx s PRO 48 CO 0.29 -1.82 1.96 -0.07 -0.33 0.00 0.00 177.00 177.03 2jxx h LEU 49 N -0.23 0.00 -1.31 -5.54 -0.00 -1.07 -2.57 115.31 104.59 2jxx h LEU 49 Ca -0.48 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.45 2jxx h LEU 49 Cb 1.30 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.91 2jxx h LEU 49 CO 0.50 0.00 0.50 0.07 -0.00 0.00 0.00 178.44 179.51 2jxx h LYS 50 N 0.00 0.84 -0.21 1.13 5.09 -1.50 0.11 116.57 122.03 2jxx h LYS 50 Ca 0.29 -0.05 -0.07 0.00 0.09 0.00 0.00 60.65 60.91 2jxx h LYS 50 Cb 1.20 -0.19 -0.01 0.00 0.10 0.00 0.00 32.23 33.32 2jxx h LYS 50 CO -0.00 0.56 -0.18 0.00 -2.09 0.00 0.00 179.45 177.73 2jxx h THR 51 N 0.87 1.23 -0.12 0.07 1.03 -1.75 -1.03 112.91 113.21 2jxx h THR 51 Ca 0.31 -1.04 -0.16 0.00 -0.01 0.00 0.00 66.41 65.51 2jxx h THR 51 Cb 0.14 1.28 0.01 0.00 -1.07 0.00 0.00 68.15 68.51 2jxx h THR 51 CO -0.10 0.33 -0.57 0.25 -0.01 0.00 0.00 175.52 175.42 2jxx h LEU 52 N 0.33 0.71 -0.49 0.00 6.46 -1.44 -2.80 115.31 118.09 2jxx h LEU 52 Ca 0.06 -0.63 0.05 0.00 -0.12 0.00 0.00 57.88 57.23 2jxx h LEU 52 Cb 0.52 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 2jxx h LEU 52 CO 0.03 1.23 0.24 0.24 -0.62 0.00 0.00 178.44 179.56 2jxx h MET 53 N 0.24 0.45 -0.15 1.25 2.86 -0.48 -1.18 114.93 117.92 2jxx h MET 53 Ca -0.04 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.45 2jxx h MET 53 Cb 1.20 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 2jxx h MET 53 CO 0.12 0.30 -0.44 0.66 1.06 0.00 0.00 176.91 178.60 2jxx h SER 54 N 0.46 0.38 0.17 1.22 4.64 -1.29 -2.85 113.55 116.29 2jxx h SER 54 Ca 0.22 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2jxx h SER 54 Cb 0.14 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2jxx h SER 54 CO -0.16 0.78 -0.08 -0.74 -0.87 0.00 0.00 176.83 175.75 2jxx h HIS 55 N 0.29 -0.22 0.30 4.77 6.17 -1.14 -2.75 115.15 122.58 2jxx h HIS 55 Ca 0.02 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.10 2jxx h HIS 55 Cb 0.90 0.07 -0.04 0.00 2.52 0.00 0.00 27.41 30.87 2jxx h HIS 55 CO 0.02 0.04 -0.51 -0.92 0.71 0.00 0.00 177.93 177.27 2jxx h TYR 56 N -0.46 -1.46 -0.55 5.26 3.20 -1.20 -2.25 116.97 119.51 2jxx h TYR 56 Ca -0.02 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2jxx h TYR 56 Cb 0.35 0.60 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 2jxx h TYR 56 CO 0.00 -0.63 0.36 1.05 -1.64 0.00 0.00 178.16 177.31 2jxx h GLU 57 N -0.87 0.50 -0.23 1.82 4.11 -1.59 -1.66 114.58 116.66 2jxx h GLU 57 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2jxx h GLU 57 Cb 0.81 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2jxx h GLU 57 CO -0.18 0.33 0.12 0.93 0.07 0.00 0.00 179.01 180.28 2jxx h GLU 58 N 0.51 0.33 -0.74 1.06 5.08 -1.26 0.22 114.58 119.78 2jxx h GLU 58 Ca 0.24 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 2jxx h GLU 58 Cb 0.28 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 2jxx h GLU 58 CO -0.06 0.31 0.39 0.00 -1.00 0.00 0.00 179.01 178.65 2jxx h ALA 59 N 1.00 1.04 -0.37 3.43 0.00 -0.69 -2.13 119.26 121.54 2jxx h ALA 59 Ca 0.08 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 2jxx h ALA 59 Cb 0.08 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2jxx h ALA 59 CO -0.01 0.01 -0.08 -1.33 0.00 0.00 0.00 179.25 177.84 2jxx n MET 60 N -4.82 1.85 -4.31 0.00 2.81 -1.21 -5.00 117.12 106.44 2jxx n MET 60 Ca 0.12 -3.21 -0.33 0.00 -1.81 0.00 0.00 57.70 52.47 2jxx n MET 60 Cb 0.26 -1.83 -0.09 0.00 -0.71 0.00 0.00 33.22 30.85 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 -1.13 -0.17 3.57 3.03 0.00 -0.80 -4.87 105.19 104.82 2jxx n GLY 61 Ca 0.34 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 -7.24 3.30 -0.17 0.99 2.01 0.74 -4.64 118.68 113.68 2jxx s LEU 62 Ca 0.16 -1.65 -0.15 0.00 0.01 0.00 0.00 54.13 52.50 2jxx s LEU 62 Cb -0.10 -2.58 -0.06 0.00 0.01 0.00 0.00 46.19 43.46 2jxx s LEU 62 CO 0.98 -2.42 -0.31 -1.54 1.01 0.00 0.00 176.35 174.07 2jxx n SER 63 N 12.37 1.83 0.01 2.29 3.41 -1.26 -4.67 113.62 127.59 2jxx n SER 63 Ca 0.44 0.31 -0.10 0.00 -0.26 0.00 0.00 58.87 59.25 2jxx n SER 63 Cb 0.47 -0.70 0.04 0.00 -0.26 0.00 0.00 64.21 63.75 2jxx n SER 63 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jxx h GLY 64 N -0.89 0.62 -7.39 5.00 0.00 -2.01 -3.38 103.07 95.02 2jxx h GLY 64 Ca -0.11 -0.76 -0.73 0.00 0.00 0.00 0.00 47.33 45.74 2jxx h GLY 64 CO -0.07 0.68 -0.34 0.50 0.00 0.00 0.00 176.54 177.32 2jxx s ARG 65 N -3.92 2.60 0.08 4.80 1.81 -1.26 -5.08 118.95 117.98 2jxx s ARG 65 Ca -0.07 -1.95 -0.09 0.00 -1.72 0.00 0.00 55.73 51.89 2jxx s ARG 65 Cb 0.11 -3.95 -0.06 0.00 -0.45 0.00 0.00 34.95 30.60 2jxx s ARG 65 CO 0.85 -1.20 0.40 0.21 -0.68 0.00 0.00 175.30 174.88 2jxx s LYS 66 N 1.04 3.75 0.28 3.54 2.47 -1.26 -4.75 119.74 124.80 2jxx s LYS 66 Ca 0.09 0.16 0.06 0.00 -1.56 0.00 0.00 55.97 54.71 2jxx s LYS 66 Cb -0.24 -2.98 -0.06 0.00 -1.46 0.00 0.00 37.83 33.09 2jxx s LYS 66 CO -0.02 0.55 -0.03 -0.48 0.16 0.00 0.00 175.35 175.53 2jxx s LEU 67 N -1.97 2.39 0.12 5.43 -0.00 -1.26 -4.92 118.68 118.47 2jxx s LEU 67 Ca 0.34 -1.22 0.01 0.00 -0.00 0.00 0.00 54.13 53.25 2jxx s LEU 67 Cb -0.14 -0.53 -0.04 0.00 -0.00 0.00 0.00 46.19 45.48 2jxx s LEU 67 CO 0.18 -0.42 0.27 -0.44 -0.00 0.00 0.00 176.35 175.95 2jxx s SER 68 N -3.42 6.35 -0.14 1.48 0.01 -0.80 -4.95 113.70 112.23 2jxx s SER 68 Ca 0.30 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2jxx s SER 68 Cb 0.05 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.33 2jxx s SER 68 CO 0.12 0.09 -0.15 -0.36 0.41 0.00 0.00 173.24 173.35 2jxx s PHE 69 N -1.67 2.78 -0.00 2.43 0.40 -1.26 -1.46 117.98 119.21 2jxx s PHE 69 Ca 0.35 -0.89 0.07 0.00 -0.60 0.00 0.00 56.93 55.87 2jxx s PHE 69 Cb -0.12 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 2jxx s PHE 69 CO 0.28 -0.37 -0.22 -0.06 0.70 0.00 0.00 175.22 175.54 2jxx s PHE 70 N 0.63 2.01 -0.17 0.36 0.40 -0.88 -1.83 117.98 118.50 2jxx s PHE 70 Ca -0.08 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 55.86 2jxx s PHE 70 Cb -0.16 -1.27 0.05 0.00 0.51 0.00 0.00 43.02 42.15 2jxx s PHE 70 CO 0.03 -0.01 -0.04 0.12 0.70 0.00 0.00 175.22 176.02 2jxx s PHE 71 N -0.58 1.64 -1.48 0.36 5.36 -0.55 -0.16 117.98 122.57 2jxx s PHE 71 Ca 0.09 -1.09 -0.05 0.00 -0.96 0.00 0.00 56.93 54.92 2jxx s PHE 71 Cb -0.09 -1.28 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 2jxx s PHE 71 CO -0.00 -0.62 0.47 -3.47 -1.46 0.00 0.00 175.22 170.13 2jxx n ASP 72 N 4.89 -5.34 0.00 6.13 2.03 -1.26 -1.46 116.55 121.54 2jxx n ASP 72 Ca -0.11 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 54.95 2jxx n ASP 72 Cb 0.47 -4.36 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 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 -1.33 1.46 3.69 0.27 0.00 -1.26 -5.02 105.19 103.01 2jxx n GLY 73 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.61 4.85 -0.21 2.61 2.01 -0.53 -5.01 115.64 115.74 2jxx s THR 74 Ca 0.00 1.91 -0.29 0.00 0.31 0.00 0.00 61.69 63.62 2jxx s THR 74 Cb 0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2jxx s THR 74 CO 0.00 0.08 1.52 -0.75 -0.69 0.00 0.00 174.62 174.77 2jxx s LYS 75 N 1.63 3.91 -0.07 4.92 2.47 -1.26 -1.48 119.74 129.86 2jxx s LYS 75 Ca 0.46 1.63 -0.22 0.00 -1.56 0.00 0.00 55.97 56.28 2jxx s LYS 75 Cb -0.19 -3.97 -0.04 0.00 -1.46 0.00 0.00 37.83 32.18 2jxx s LYS 75 CO 0.20 -1.15 0.66 -0.51 0.16 0.00 0.00 175.35 174.71 2jxx s LEU 76 N 4.72 4.32 0.03 5.43 1.43 -0.76 -4.98 118.68 128.88 2jxx s LEU 76 Ca 0.67 1.13 0.18 0.00 -1.03 0.00 0.00 54.13 55.08 2jxx s LEU 76 Cb -0.24 -3.02 -0.16 0.00 0.03 0.00 0.00 46.19 42.81 2jxx s LEU 76 CO 0.26 -0.08 0.72 -0.24 0.23 0.00 0.00 176.35 177.24 2jxx n SER 77 N 3.69 0.66 0.00 2.29 2.88 -1.26 -4.64 113.62 117.24 2jxx n SER 77 Ca -0.02 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2jxx n SER 77 Cb 0.51 0.50 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 2jxx n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jxx n GLY 78 N 1.40 3.35 0.21 0.46 0.00 -1.26 -4.95 105.19 104.39 2jxx n GLY 78 Ca -0.11 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.96 -1.36 114.38 108.70 2jxx h ARG 79 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 2jxx h ARG 79 Cb 0.00 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.10 2jxx h ARG 79 CO 0.00 0.00 0.42 -1.83 -1.07 0.00 0.00 179.97 177.49 2jxx s GLU 80 N -3.32 3.64 0.11 0.04 1.03 -1.26 -4.83 118.70 114.11 2jxx s GLU 80 Ca 0.06 1.54 0.03 0.00 0.03 0.00 0.00 54.97 56.63 2jxx s GLU 80 Cb 0.08 -2.14 -0.04 0.00 -0.80 0.00 0.00 34.13 31.22 2jxx s GLU 80 CO 0.60 -0.60 0.14 -0.51 -1.33 0.00 0.00 175.26 173.57 2jxx s LEU 81 N -3.47 3.96 0.59 1.83 1.43 -1.26 -1.29 118.68 120.47 2jxx s LEU 81 Ca 0.68 0.02 0.35 0.00 -1.03 0.00 0.00 54.13 54.16 2jxx s LEU 81 Cb -0.22 -2.60 1.82 0.00 0.03 0.00 0.00 46.19 45.23 2jxx s LEU 81 CO 0.26 0.13 2.18 1.55 0.23 0.00 0.00 176.35 180.69 2jxx h PRO 82 N 2.86 0.00 -0.60 1.29 0.13 -1.77 -0.93 132.00 132.98 2jxx h PRO 82 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2jxx h PRO 82 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2jxx h PRO 82 CO 0.67 0.04 0.37 0.00 -0.23 0.00 0.00 178.00 178.85 2jxx h ALA 83 N 1.96 0.78 -0.07 -0.56 0.00 -1.85 -0.05 119.26 119.46 2jxx h ALA 83 Ca -0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2jxx h ALA 83 Cb 0.23 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jxx h ALA 83 CO 0.01 0.10 -0.91 -0.44 0.00 0.00 0.00 179.25 178.00 2jxx h ASP 84 N 0.72 0.91 0.82 0.00 3.32 -1.52 -3.16 116.42 117.52 2jxx h ASP 84 Ca 0.24 -0.66 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 2jxx h ASP 84 Cb 0.03 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 2jxx h ASP 84 CO -0.11 1.47 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.65 2jxx h LEU 85 N 0.46 0.00 -2.46 1.55 3.38 -1.50 -3.48 115.31 113.26 2jxx h LEU 85 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jxx h LEU 85 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2jxx h LEU 85 CO 0.18 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.48 2jxx n GLY 86 N -0.05 0.72 3.77 0.83 0.00 -0.86 -5.10 105.19 104.51 2jxx n GLY 86 Ca -0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.30 2.75 0.18 1.61 1.00 -0.09 -5.05 119.30 116.40 2jxx s MET 87 Ca 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 55.69 54.45 2jxx s MET 87 Cb 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 34.83 32.36 2jxx s MET 87 CO 0.00 0.40 0.33 -2.00 0.00 0.00 0.00 175.02 173.74 2jxx s GLU 88 N -3.74 1.23 -0.26 2.03 2.12 -1.26 -4.74 118.70 114.08 2jxx s GLU 88 Ca 0.32 -1.17 -0.28 0.00 0.36 0.00 0.00 54.97 54.20 2jxx s GLU 88 Cb -0.08 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.66 2jxx s GLU 88 CO 0.23 -0.46 2.26 0.45 -0.54 0.00 0.00 175.26 177.20 2jxx n SER 89 N -0.25 3.12 0.00 -1.70 2.88 -1.26 -1.81 113.62 114.60 2jxx n SER 89 Ca -0.07 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2jxx n SER 89 Cb 0.63 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2jxx n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jxx n GLY 90 N 5.82 1.63 3.36 0.46 0.00 -0.02 -4.85 105.19 111.58 2jxx n GLY 90 Ca 0.31 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.06 -3.81 1.61 9.92 -0.75 -4.63 116.55 116.83 2jxx n ASP 91 Ca 0.00 -0.02 -0.28 0.00 -0.53 0.00 0.00 54.79 53.96 2jxx n ASP 91 Cb 0.00 -1.09 -0.16 0.00 -0.64 0.00 0.00 41.12 39.23 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 -2.74 1.61 0.21 0.64 2.96 -1.26 -2.01 118.68 118.09 2jxx s LEU 92 Ca 0.59 -0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 2jxx s LEU 92 Cb -0.17 -0.79 -0.07 0.00 0.50 0.00 0.00 46.19 45.66 2jxx s LEU 92 CO 0.66 -0.28 0.55 -0.63 -1.32 0.00 0.00 176.35 175.33 2jxx s ILE 93 N 1.71 4.91 0.22 6.68 1.01 -0.06 -4.55 121.20 131.12 2jxx s ILE 93 Ca -0.02 0.56 0.10 0.00 0.00 0.00 0.00 60.65 61.29 2jxx s ILE 93 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2jxx s ILE 93 CO -0.07 0.00 -0.09 -1.61 0.00 0.00 0.00 174.94 173.18 2jxx s GLU 94 N -2.61 2.06 -0.20 2.79 2.02 0.77 -1.58 118.70 121.96 2jxx s GLU 94 Ca 0.45 -1.39 -0.03 0.00 0.02 0.00 0.00 54.97 54.02 2jxx s GLU 94 Cb -0.12 -2.10 0.06 0.00 0.10 0.00 0.00 34.13 32.08 2jxx s GLU 94 CO 0.21 0.40 0.05 0.08 0.02 0.00 0.00 175.26 176.01 2jxx s VAL 95 N -2.00 0.47 -0.67 2.63 1.01 -0.28 -2.07 120.40 119.48 2jxx s VAL 95 Ca 0.27 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 2jxx s VAL 95 Cb -0.07 -1.03 0.17 0.00 0.00 0.00 0.00 36.38 35.45 2jxx s VAL 95 CO 0.16 -0.26 0.59 0.26 0.00 0.00 0.00 175.10 175.86 2jxx s TRP 96 N 1.88 3.54 0.00 5.22 0.52 -0.53 -2.45 118.94 127.11 2jxx s TRP 96 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 56.10 54.21 2jxx s TRP 96 Cb -0.17 -3.68 0.00 0.00 -1.15 0.00 0.00 33.47 28.47 2jxx s TRP 96 CO -0.10 -0.98 0.00 0.41 0.02 0.00 0.00 176.95 176.31