#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 -3.60 -2.82 4.07 -1.26 -5.03 120.64 112.00 2jxx n GLU 21 Ca 0.00 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.74 2jxx n GLU 21 Cb 0.00 -0.19 -0.06 0.00 -0.06 0.00 0.00 31.44 31.12 2jxx n GLU 21 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2jxx n THR 22 N -2.10 3.06 -2.97 6.31 -2.24 -1.26 -4.82 114.28 110.26 2jxx n THR 22 Ca 0.00 -5.16 -0.40 0.00 -2.27 0.00 0.00 64.05 56.22 2jxx n THR 22 Cb 0.00 -2.34 -0.00 0.00 -2.10 0.00 0.00 70.33 65.89 2jxx n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jxx n SER 23 N 2.14 6.22 -0.06 3.42 2.88 -1.26 -4.81 113.62 122.15 2jxx n SER 23 Ca 0.22 -3.50 -0.01 0.00 -1.33 0.00 0.00 58.87 54.26 2jxx n SER 23 Cb 0.37 -1.14 -0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2jxx n SER 23 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2jxx h GLN 24 N 4.88 0.00 -5.38 -1.46 4.15 -2.00 -3.49 115.11 111.82 2jxx h GLN 24 Ca 0.27 0.00 -0.41 0.00 0.77 0.00 0.00 58.65 59.28 2jxx h GLN 24 Cb 0.55 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 28.05 2jxx h GLN 24 CO 1.22 0.00 -0.76 -0.65 -1.93 0.00 0.00 178.83 176.71 2jxx s GLN 25 N -1.75 1.00 -0.43 1.69 -0.21 -1.26 -4.45 119.66 114.26 2jxx s GLN 25 Ca -0.04 -1.22 -0.16 0.00 0.02 0.00 0.00 55.36 53.95 2jxx s GLN 25 Cb 0.01 -0.87 0.03 0.00 1.00 0.00 0.00 33.01 33.18 2jxx s GLN 25 CO 0.07 0.16 0.37 -0.51 -2.12 0.00 0.00 175.29 173.26 2jxx s LEU 26 N -2.43 5.10 -0.65 2.90 1.02 0.60 -4.73 118.68 120.49 2jxx s LEU 26 Ca 0.08 -0.89 -0.27 0.00 0.02 0.00 0.00 54.13 53.07 2jxx s LEU 26 Cb -0.05 -2.24 0.04 0.00 0.02 0.00 0.00 46.19 43.95 2jxx s LEU 26 CO 0.03 -0.53 1.18 -1.10 0.02 0.00 0.00 176.35 175.94 2jxx s GLN 27 N 1.85 3.32 -0.11 1.70 -0.21 -1.22 -0.84 119.66 124.15 2jxx s GLN 27 Ca 0.07 -0.12 -0.02 0.00 0.02 0.00 0.00 55.36 55.32 2jxx s GLN 27 Cb -0.19 -4.11 -0.03 0.00 1.00 0.00 0.00 33.01 29.68 2jxx s GLN 27 CO 0.11 -1.87 -0.03 -0.51 -2.12 0.00 0.00 175.29 170.86 2jxx s LEU 28 N 5.09 3.34 -0.12 2.90 1.43 -0.47 -2.95 118.68 127.90 2jxx s LEU 28 Ca 0.36 -0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 2jxx s LEU 28 Cb -0.09 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2jxx s LEU 28 CO 0.19 0.29 0.48 -0.13 0.23 0.00 0.00 176.35 177.40 2jxx s ARG 29 N -0.35 4.34 -0.19 1.70 0.52 -0.81 -2.06 118.95 122.11 2jxx s ARG 29 Ca 0.06 0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.73 2jxx s ARG 29 Cb -0.12 -3.44 0.03 0.00 0.52 0.00 0.00 34.95 31.94 2jxx s ARG 29 CO 0.02 0.16 -0.16 0.08 0.02 0.00 0.00 175.30 175.42 2jxx s VAL 30 N 0.62 1.88 -0.01 3.52 1.01 -0.03 -0.04 120.40 127.35 2jxx s VAL 30 Ca 0.26 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2jxx s VAL 30 Cb -0.15 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2jxx s VAL 30 CO 0.10 0.38 -0.10 -1.10 0.00 0.00 0.00 175.10 174.39 2jxx s GLN 31 N 1.34 0.85 0.49 2.72 -0.21 -0.57 -1.39 119.66 122.89 2jxx s GLN 31 Ca 0.02 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.03 2jxx s GLN 31 Cb -0.14 -0.82 0.10 0.00 1.00 0.00 0.00 33.01 33.15 2jxx s GLN 31 CO -0.11 0.21 0.67 0.41 -2.12 0.00 0.00 175.29 174.35 2jxx n GLY 32 N 2.89 0.50 0.52 3.09 0.00 -0.28 -0.06 105.19 111.86 2jxx n GLY 32 Ca -0.14 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2jxx n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jxx n LYS 33 N -2.27 0.53 -3.60 1.61 5.02 -1.13 -4.70 118.16 113.62 2jxx n LYS 33 Ca 0.11 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.24 2jxx n LYS 33 Cb 0.39 -1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 34.06 2jxx n LYS 33 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2jxx s GLU 34 N -0.93 0.89 0.58 1.97 -1.05 -1.26 -5.05 118.70 113.86 2jxx s GLU 34 Ca 0.00 0.48 0.36 0.00 -0.15 0.00 0.00 54.97 55.65 2jxx s GLU 34 Cb 0.00 0.42 1.72 0.00 -0.44 0.00 0.00 34.13 35.84 2jxx s GLU 34 CO 0.00 -0.22 2.13 1.57 0.95 0.00 0.00 175.26 179.69 2jxx h LYS 35 N 3.96 0.00 -0.89 -4.83 2.10 -2.02 -1.69 116.57 113.20 2jxx h LYS 35 Ca -0.28 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.46 2jxx h LYS 35 Cb 1.15 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.42 2jxx h LYS 35 CO 0.27 0.03 0.58 1.25 -2.00 0.00 0.00 179.45 179.58 2jxx h HIS 36 N 0.00 0.97 -3.33 0.07 2.76 -1.96 -3.17 115.15 110.49 2jxx h HIS 36 Ca -0.00 0.03 -0.78 0.00 -2.20 0.00 0.00 60.37 57.41 2jxx h HIS 36 Cb 0.32 -0.32 -0.26 0.00 1.55 0.00 0.00 27.41 28.70 2jxx h HIS 36 CO 0.00 0.46 0.56 -0.65 -1.30 0.00 0.00 177.93 177.00 2jxx s GLN 37 N -5.83 4.08 -0.14 5.26 1.11 -0.63 -4.98 119.66 118.52 2jxx s GLN 37 Ca -0.11 -2.96 0.00 0.00 0.01 0.00 0.00 55.36 52.31 2jxx s GLN 37 Cb 0.21 -4.63 0.02 0.00 -1.01 0.00 0.00 33.01 27.59 2jxx s GLN 37 CO 0.79 -1.35 -0.13 0.99 0.01 0.00 0.00 175.29 175.60 2jxx s THR 38 N -0.46 1.47 0.10 -0.19 2.01 -1.20 -1.12 115.64 116.25 2jxx s THR 38 Ca 0.31 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.79 2jxx s THR 38 Cb -0.09 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 2jxx s THR 38 CO -0.07 0.44 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.97 2jxx s LEU 39 N 1.52 2.38 -0.03 4.42 2.96 -0.48 -5.04 118.68 124.40 2jxx s LEU 39 Ca 0.05 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 2jxx s LEU 39 Cb -0.13 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.18 2jxx s LEU 39 CO -0.10 -0.21 -0.08 -1.83 -1.32 0.00 0.00 176.35 172.81 2jxx s GLU 40 N -2.59 0.99 0.07 1.98 -1.05 -1.26 -0.85 118.70 115.98 2jxx s GLU 40 Ca 0.05 -0.27 0.05 0.00 -0.15 0.00 0.00 54.97 54.65 2jxx s GLU 40 Cb -0.04 -0.92 -0.03 0.00 -0.44 0.00 0.00 34.13 32.70 2jxx s GLU 40 CO 0.01 0.06 -0.14 0.54 0.95 0.00 0.00 175.26 176.68 2jxx s VAL 41 N 0.38 1.11 -0.47 1.83 0.11 -0.87 -5.00 120.40 117.49 2jxx s VAL 41 Ca -0.06 -1.29 -0.21 0.00 -2.93 0.00 0.00 61.98 57.50 2jxx s VAL 41 Cb -0.10 -1.06 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2jxx s VAL 41 CO 0.01 -0.21 0.67 -0.44 -3.33 0.00 0.00 175.10 171.80 2jxx s SER 42 N -1.71 6.30 -0.15 3.54 0.01 -1.26 -1.37 113.70 119.06 2jxx s SER 42 Ca -0.02 -0.49 -0.13 0.00 1.31 0.00 0.00 55.95 56.62 2jxx s SER 42 Cb -0.10 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 2jxx s SER 42 CO 0.02 -0.86 0.29 -0.22 0.41 0.00 0.00 173.24 172.88 2jxx s LEU 43 N 2.90 4.26 0.20 2.44 2.96 -0.02 -4.86 118.68 126.56 2jxx s LEU 43 Ca 0.22 0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 54.35 2jxx s LEU 43 Cb -0.15 -2.36 -0.08 0.00 0.50 0.00 0.00 46.19 44.10 2jxx s LEU 43 CO 0.17 0.13 0.98 -0.44 -1.32 0.00 0.00 176.35 175.87 2jxx s SER 44 N 0.31 7.52 0.57 3.68 0.01 -1.26 -0.29 113.70 124.23 2jxx s SER 44 Ca 0.17 1.96 0.31 0.00 1.31 0.00 0.00 55.95 59.70 2jxx s SER 44 Cb -0.13 -2.61 1.70 0.00 0.21 0.00 0.00 66.02 65.19 2jxx s SER 44 CO 0.04 0.02 2.16 0.08 0.41 0.00 0.00 173.24 175.95 2jxx h ARG 45 N 4.59 0.00 0.00 12.44 0.11 -1.95 -1.15 114.38 128.43 2jxx h ARG 45 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2jxx h ARG 45 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2jxx h ARG 45 CO 0.69 0.06 -0.57 0.38 0.10 0.00 0.00 179.97 180.64 2jxx h ASP 46 N 0.00 0.00 -3.22 0.08 2.03 -1.93 -3.40 116.42 109.99 2jxx h ASP 46 Ca -0.00 -0.04 -0.59 0.00 -0.73 0.00 0.00 57.03 55.67 2jxx h ASP 46 Cb 0.21 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.64 2jxx h ASP 46 CO 0.01 0.02 -0.16 -0.44 -1.03 0.00 0.00 179.24 177.64 2jxx s SER 47 N -5.35 6.75 0.88 4.15 0.01 -0.43 -5.04 113.70 114.66 2jxx s SER 47 Ca 0.04 0.89 -0.11 0.00 1.31 0.00 0.00 55.95 58.07 2jxx s SER 47 Cb 0.09 -2.28 0.12 0.00 0.21 0.00 0.00 66.02 64.16 2jxx s SER 47 CO 0.73 0.14 1.09 -2.16 0.41 0.00 0.00 173.24 173.45 2jxx s PRO 48 N -0.10 1.39 0.60 12.44 0.05 -1.26 -4.40 135.00 143.71 2jxx s PRO 48 Ca 0.25 0.80 0.31 0.00 0.05 0.00 0.00 61.00 62.41 2jxx s PRO 48 Cb -0.16 -1.82 1.83 0.00 0.05 0.00 0.00 34.50 34.39 2jxx s PRO 48 CO 0.12 -2.15 2.20 -0.07 0.05 0.00 0.00 177.00 177.15 2jxx h LEU 49 N -1.48 0.00 -1.54 -3.56 -0.00 -0.96 -2.62 115.31 105.15 2jxx h LEU 49 Ca -0.49 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.43 2jxx h LEU 49 Cb 1.28 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.91 2jxx h LEU 49 CO 0.55 0.00 0.35 0.07 -0.00 0.00 0.00 178.44 179.42 2jxx h LYS 50 N 0.00 0.57 -0.02 1.13 5.09 -1.34 -0.12 116.57 121.89 2jxx h LYS 50 Ca 0.03 -0.03 -0.17 0.00 0.09 0.00 0.00 60.65 60.57 2jxx h LYS 50 Cb 0.20 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.39 2jxx h LYS 50 CO -0.00 0.38 -0.75 0.00 -2.09 0.00 0.00 179.45 176.98 2jxx h THR 51 N 0.59 1.48 -0.43 0.07 1.03 -1.76 -0.53 112.91 113.35 2jxx h THR 51 Ca 0.22 -2.41 -0.09 0.00 -0.01 0.00 0.00 66.41 64.12 2jxx h THR 51 Cb 0.13 2.30 -0.01 0.00 -1.07 0.00 0.00 68.15 69.50 2jxx h THR 51 CO -0.06 0.70 -0.09 0.25 -0.01 0.00 0.00 175.52 176.31 2jxx h LEU 52 N 0.09 0.83 -0.36 0.00 6.46 -1.49 -0.86 115.31 119.97 2jxx h LEU 52 Ca -0.02 -0.36 0.03 0.00 -0.12 0.00 0.00 57.88 57.42 2jxx h LEU 52 Cb 1.33 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.00 2jxx h LEU 52 CO 0.11 0.99 0.16 0.24 -0.62 0.00 0.00 178.44 179.32 2jxx h MET 53 N 0.66 0.32 -0.03 1.25 2.86 -0.91 -0.35 114.93 118.73 2jxx h MET 53 Ca 0.11 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2jxx h MET 53 Cb 0.62 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2jxx h MET 53 CO 0.04 0.21 -0.23 0.77 1.06 0.00 0.00 176.91 178.76 2jxx h SER 54 N 0.33 0.05 0.31 1.22 0.02 -0.96 -1.56 113.55 112.96 2jxx h SER 54 Ca 0.16 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2jxx h SER 54 Cb 0.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jxx h SER 54 CO -0.13 0.29 -0.15 -0.74 -1.14 0.00 0.00 176.83 174.96 2jxx h HIS 55 N 0.05 -0.39 0.54 3.45 6.17 -0.86 -3.21 115.15 120.89 2jxx h HIS 55 Ca 0.01 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 2jxx h HIS 55 Cb 0.44 0.13 -0.02 0.00 2.52 0.00 0.00 27.41 30.49 2jxx h HIS 55 CO 0.00 -0.06 -0.46 -0.92 0.71 0.00 0.00 177.93 177.20 2jxx h TYR 56 N -0.96 -1.26 -0.66 5.26 3.20 -0.68 -0.53 116.97 121.35 2jxx h TYR 56 Ca -0.04 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2jxx h TYR 56 Cb 0.50 0.48 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 2jxx h TYR 56 CO 0.04 -0.63 0.39 1.05 -1.64 0.00 0.00 178.16 177.37 2jxx h GLU 57 N -0.97 0.89 -0.05 1.82 4.11 -1.49 -0.06 114.58 118.83 2jxx h GLU 57 Ca -0.07 -0.08 -0.19 0.00 0.07 0.00 0.00 59.36 59.09 2jxx h GLU 57 Cb 0.82 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2jxx h GLU 57 CO -0.01 0.62 -0.79 0.93 0.07 0.00 0.00 179.01 179.82 2jxx h GLU 58 N 0.90 0.37 0.01 1.06 4.39 -1.53 0.17 114.58 119.94 2jxx h GLU 58 Ca 0.24 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2jxx h GLU 58 Cb -0.03 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2jxx h GLU 58 CO -0.04 0.99 -0.08 0.00 -1.16 0.00 0.00 179.01 178.71 2jxx h ALA 59 N 0.91 -0.00 0.00 3.43 0.00 -0.73 -3.33 119.26 119.54 2jxx h ALA 59 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jxx h ALA 59 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2jxx h ALA 59 CO 0.13 -0.01 0.00 -0.12 0.00 0.00 0.00 179.25 179.26 2jxx n MET 60 N -4.61 0.21 0.00 0.00 0.00 -0.07 -4.89 117.12 107.77 2jxx n MET 60 Ca -0.10 0.34 0.00 0.00 -0.00 0.00 0.00 57.70 57.94 2jxx n MET 60 Cb 0.46 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.85 2jxx n MET 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jxx n GLY 61 N 0.49 1.04 1.78 -5.12 0.00 -1.16 -4.99 105.19 97.22 2jxx n GLY 61 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 5.64 -4.57 0.99 7.99 0.57 -4.92 117.00 122.71 2jxx n LEU 62 Ca 0.00 -2.95 -0.41 0.00 -0.01 0.00 0.00 56.01 52.64 2jxx n LEU 62 Cb 0.00 -0.82 -0.03 0.00 -0.11 0.00 0.00 43.42 42.47 2jxx n LEU 62 CO 0.00 0.97 1.38 -0.44 -1.51 0.00 0.00 177.39 177.79 2jxx s SER 63 N -0.23 5.84 0.00 -1.43 0.01 -1.10 -1.64 113.70 115.15 2jxx s SER 63 Ca 0.33 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.88 2jxx s SER 63 Cb 0.27 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2jxx s SER 63 CO 0.04 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.36 2jxx n GLY 64 N 5.43 0.91 2.59 3.44 0.00 -1.26 -5.08 105.19 111.22 2jxx n GLY 64 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2jxx n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxx s ARG 65 N -0.31 0.16 0.31 1.61 6.06 -0.65 -5.15 118.95 120.98 2jxx s ARG 65 Ca 0.00 -0.33 -0.16 0.00 -2.50 0.00 0.00 55.73 52.73 2jxx s ARG 65 Cb 0.00 -1.53 -0.09 0.00 0.06 0.00 0.00 34.95 33.39 2jxx s ARG 65 CO 0.00 -0.84 0.75 0.21 -2.50 0.00 0.00 175.30 172.92 2jxx s LYS 66 N 2.09 4.07 0.23 5.12 2.20 -1.26 -4.77 119.74 127.42 2jxx s LYS 66 Ca 0.05 0.74 0.05 0.00 -0.36 0.00 0.00 55.97 56.45 2jxx s LYS 66 Cb -0.16 -2.50 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 2jxx s LYS 66 CO -0.22 0.19 -0.06 -0.48 -0.36 0.00 0.00 175.35 174.42 2jxx s LEU 67 N -2.80 2.39 0.36 5.43 -0.00 -1.26 -5.08 118.68 117.72 2jxx s LEU 67 Ca 0.53 -1.15 -0.20 0.00 -0.00 0.00 0.00 54.13 53.30 2jxx s LEU 67 Cb -0.11 -0.47 -0.10 0.00 -0.00 0.00 0.00 46.19 45.51 2jxx s LEU 67 CO 0.18 -0.38 0.87 -0.44 -0.00 0.00 0.00 176.35 176.58 2jxx s SER 68 N -3.34 6.97 -0.10 1.48 0.01 -1.00 -4.96 113.70 112.76 2jxx s SER 68 Ca 0.26 1.58 0.03 0.00 1.31 0.00 0.00 55.95 59.13 2jxx s SER 68 Cb 0.04 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.78 2jxx s SER 68 CO 0.08 -0.23 -0.20 -0.36 0.41 0.00 0.00 173.24 172.94 2jxx s PHE 69 N -1.98 2.23 -0.07 2.43 0.40 -1.26 -1.45 117.98 118.27 2jxx s PHE 69 Ca 0.56 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2jxx s PHE 69 Cb -0.12 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.90 2jxx s PHE 69 CO 0.17 -0.41 -0.10 -0.06 0.70 0.00 0.00 175.22 175.51 2jxx s PHE 70 N 0.56 1.35 -0.27 0.36 0.40 -0.33 -1.54 117.98 118.50 2jxx s PHE 70 Ca -0.15 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.67 2jxx s PHE 70 Cb -0.17 -1.04 0.07 0.00 0.51 0.00 0.00 43.02 42.39 2jxx s PHE 70 CO 0.05 -0.32 -0.04 0.12 0.70 0.00 0.00 175.22 175.73 2jxx s PHE 71 N 0.95 3.03 -1.44 0.36 5.36 -0.53 -0.71 117.98 125.00 2jxx s PHE 71 Ca -0.09 -2.29 -0.04 0.00 -0.96 0.00 0.00 56.93 53.56 2jxx s PHE 71 Cb -0.15 -2.05 0.03 0.00 -0.34 0.00 0.00 43.02 40.51 2jxx s PHE 71 CO 0.00 -0.87 0.55 -3.47 -1.46 0.00 0.00 175.22 169.98 2jxx n ASP 72 N 4.48 -1.17 0.00 6.13 2.03 -1.26 -1.73 116.55 125.03 2jxx n ASP 72 Ca -0.08 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.27 2jxx n ASP 72 Cb 0.43 -3.23 0.00 0.00 -0.72 0.00 0.00 41.12 37.59 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 -1.83 2.94 3.61 0.27 0.00 -1.26 -4.98 105.19 103.95 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 -1.03 3.72 -0.23 2.61 2.01 -0.71 -4.97 115.64 117.05 2jxx s THR 74 Ca 0.00 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 2jxx s THR 74 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 2jxx s THR 74 CO 0.00 -0.48 1.67 -0.75 -0.69 0.00 0.00 174.62 174.37 2jxx s LYS 75 N 5.02 3.72 -0.47 4.92 2.36 -1.26 -1.46 119.74 132.57 2jxx s LYS 75 Ca 0.70 1.66 -0.28 0.00 -2.55 0.00 0.00 55.97 55.50 2jxx s LYS 75 Cb -0.20 -4.07 0.01 0.00 -1.05 0.00 0.00 37.83 32.52 2jxx s LYS 75 CO 0.31 -1.39 1.42 -0.51 1.55 0.00 0.00 175.35 176.73 2jxx s LEU 76 N 5.52 3.52 0.29 5.43 2.01 -0.59 -4.89 118.68 129.97 2jxx s LEU 76 Ca 0.74 0.64 0.12 0.00 0.01 0.00 0.00 54.13 55.64 2jxx s LEU 76 Cb -0.25 -3.36 0.41 0.00 0.01 0.00 0.00 46.19 42.99 2jxx s LEU 76 CO 0.31 -1.55 1.63 0.28 1.01 0.00 0.00 176.35 178.03 2jxx h SER 77 N 10.94 0.00 0.00 2.29 0.02 -1.93 -3.41 113.55 121.46 2jxx h SER 77 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2jxx h SER 77 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2jxx h SER 77 CO 1.12 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 177.99 2jxx n GLY 78 N 0.27 3.07 0.63 -3.77 0.00 -1.26 -4.98 105.19 99.15 2jxx n GLY 78 Ca -0.01 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 1.81 -3.16 1.61 1.74 -1.26 -1.01 116.66 116.38 2jxx n ARG 79 Ca 0.00 -1.19 -0.33 0.00 -0.77 0.00 0.00 57.85 55.56 2jxx n ARG 79 Cb 0.00 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 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 -1.58 4.02 0.12 5.56 1.03 -1.26 -4.92 118.70 121.67 2jxx s GLU 80 Ca 0.22 0.66 -0.01 0.00 0.03 0.00 0.00 54.97 55.87 2jxx s GLU 80 Cb 0.12 -2.53 -0.04 0.00 -0.80 0.00 0.00 34.13 30.88 2jxx s GLU 80 CO 0.14 0.21 0.29 -0.51 -1.33 0.00 0.00 175.26 174.07 2jxx s LEU 81 N -2.80 4.31 0.29 1.83 1.43 -1.26 -1.32 118.68 121.16 2jxx s LEU 81 Ca 0.52 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 2jxx s LEU 81 Cb -0.11 -3.07 0.43 0.00 0.03 0.00 0.00 46.19 43.47 2jxx s LEU 81 CO 0.18 0.09 1.80 1.55 0.23 0.00 0.00 176.35 180.20 2jxx h PRO 82 N 2.70 0.70 -0.67 1.29 0.13 -1.77 -1.81 132.00 132.57 2jxx h PRO 82 Ca -0.46 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.49 2jxx h PRO 82 Cb 1.17 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2jxx h PRO 82 CO 0.73 0.71 0.38 0.00 -0.23 0.00 0.00 178.00 179.59 2jxx h ALA 83 N 1.35 1.40 -0.23 -0.56 0.00 -1.81 0.43 119.26 119.84 2jxx h ALA 83 Ca 0.13 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2jxx h ALA 83 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2jxx h ALA 83 CO 0.01 0.50 -0.27 0.22 0.00 0.00 0.00 179.25 179.71 2jxx h ASP 84 N 0.94 0.44 1.60 0.00 3.58 -1.70 -2.98 116.42 118.30 2jxx h ASP 84 Ca 0.24 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 2jxx h ASP 84 Cb 0.01 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2jxx h ASP 84 CO -0.04 0.71 -0.41 -0.07 -2.88 0.00 0.00 179.24 176.55 2jxx h LEU 85 N 0.39 0.00 0.00 2.28 3.38 -1.01 -3.48 115.31 116.87 2jxx h LEU 85 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jxx h LEU 85 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2jxx h LEU 85 CO 0.05 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2jxx n GLY 86 N 1.19 0.99 3.78 0.83 0.00 -0.67 -5.10 105.19 106.21 2jxx n GLY 86 Ca 0.02 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.03 1.22 0.31 1.61 -1.94 0.05 -5.02 119.30 114.50 2jxx s MET 87 Ca 0.00 0.39 -0.13 0.00 -1.71 0.00 0.00 55.69 54.24 2jxx s MET 87 Cb 0.00 -1.84 0.02 0.00 2.01 0.00 0.00 34.83 35.02 2jxx s MET 87 CO 0.00 -2.16 0.60 -2.00 -0.01 0.00 0.00 175.02 171.45 2jxx s GLU 88 N -5.21 1.85 0.00 2.03 2.12 -1.26 -4.60 118.70 113.62 2jxx s GLU 88 Ca 0.63 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 54.60 2jxx s GLU 88 Cb -0.15 0.53 0.00 0.00 0.26 0.00 0.00 34.13 34.77 2jxx s GLU 88 CO 0.54 -0.81 0.10 -1.13 -0.54 0.00 0.00 175.26 173.42 2jxx n SER 89 N -0.88 0.05 -2.77 -1.70 3.41 -1.26 -3.10 113.62 107.37 2jxx n SER 89 Ca -0.03 -0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.22 2jxx n SER 89 Cb 0.61 -0.03 0.07 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.05 0.58 0.67 5.00 0.00 -1.15 -3.40 105.19 106.85 2jxx n GLY 90 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 0.83 1.37 -3.93 1.61 9.92 -1.18 -5.01 116.55 120.15 2jxx n ASP 91 Ca 0.08 -1.34 -0.11 0.00 -0.53 0.00 0.00 54.79 52.89 2jxx n ASP 91 Cb 0.67 -0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.02 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 0.00 2.11 -0.02 0.64 2.96 -1.26 -1.93 118.68 121.18 2jxx s LEU 92 Ca 0.05 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2jxx s LEU 92 Cb -0.00 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.70 2jxx s LEU 92 CO 0.03 -0.13 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.24 2jxx s ILE 93 N -0.68 0.59 -0.32 6.68 1.01 0.94 -4.78 121.20 124.65 2jxx s ILE 93 Ca -0.07 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.34 2jxx s ILE 93 Cb -0.05 -0.54 0.10 0.00 0.01 0.00 0.00 42.46 41.98 2jxx s ILE 93 CO -0.00 0.19 0.06 -1.61 0.00 0.00 0.00 174.94 173.58 2jxx s GLU 94 N 0.21 1.20 0.06 2.79 2.02 0.11 -1.51 118.70 123.58 2jxx s GLU 94 Ca -0.03 -1.49 -0.31 0.00 0.02 0.00 0.00 54.97 53.17 2jxx s GLU 94 Cb -0.07 -2.68 -0.06 0.00 0.10 0.00 0.00 34.13 31.42 2jxx s GLU 94 CO 0.00 -0.92 1.31 0.08 0.02 0.00 0.00 175.26 175.75 2jxx s VAL 95 N 1.22 3.72 -0.70 2.63 1.01 0.91 -1.18 120.40 128.01 2jxx s VAL 95 Ca 0.09 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 2jxx s VAL 95 Cb -0.18 -3.77 0.18 0.00 0.00 0.00 0.00 36.38 32.61 2jxx s VAL 95 CO -0.15 0.06 0.64 0.26 0.00 0.00 0.00 175.10 175.91 2jxx s TRP 96 N 1.47 3.55 0.00 5.22 0.52 -0.53 -2.85 118.94 126.32 2jxx s TRP 96 Ca 0.62 -1.79 0.00 0.00 0.02 0.00 0.00 56.10 54.95 2jxx s TRP 96 Cb -0.32 -3.76 0.00 0.00 -1.15 0.00 0.00 33.47 28.24 2jxx s TRP 96 CO 0.28 -0.99 0.00 0.41 0.02 0.00 0.00 176.95 176.67