#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxx s GLU 21 N 0.00 1.40 0.50 -2.82 2.56 -1.26 -5.14 118.70 113.94 2jxx s GLU 21 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 54.97 54.16 2jxx s GLU 21 Cb 0.00 0.59 -0.08 0.00 2.00 0.00 0.00 34.13 36.64 2jxx s GLU 21 CO 0.00 -0.62 1.04 -0.08 -0.56 0.00 0.00 175.26 175.04 2jxx s THR 22 N -3.80 3.78 -1.76 -1.70 -1.32 -1.26 -3.86 115.64 105.73 2jxx s THR 22 Ca 0.04 1.08 0.00 0.00 -1.21 0.00 0.00 61.69 61.60 2jxx s THR 22 Cb -0.02 -3.44 0.00 0.00 -1.51 0.00 0.00 72.50 67.53 2jxx s THR 22 CO -0.08 -0.27 0.00 -1.20 -2.21 0.00 0.00 174.62 170.86 2jxx n SER 23 N -1.08 -5.82 0.08 8.08 7.64 -1.26 -4.88 113.62 116.38 2jxx n SER 23 Ca 0.09 -0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.10 2jxx n SER 23 Cb 0.53 -4.84 0.37 0.00 -1.01 0.00 0.00 64.21 59.26 2jxx n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jxx n GLN 24 N -2.95 0.23 -2.80 1.43 10.64 -1.25 -4.91 117.38 117.77 2jxx n GLN 24 Ca -0.24 0.16 -0.41 0.00 -1.83 0.00 0.00 57.00 54.67 2jxx n GLN 24 Cb 0.68 -1.73 -0.04 0.00 -0.86 0.00 0.00 30.24 28.29 2jxx n GLN 24 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2jxx s GLN 25 N -3.10 4.56 -0.21 2.61 1.11 -1.26 -2.19 119.66 121.17 2jxx s GLN 25 Ca 0.10 1.30 -0.13 0.00 0.01 0.00 0.00 55.36 56.64 2jxx s GLN 25 Cb 0.13 -3.43 -0.04 0.00 -1.01 0.00 0.00 33.01 28.66 2jxx s GLN 25 CO 0.62 0.05 0.28 -0.51 0.01 0.00 0.00 175.29 175.75 2jxx s LEU 26 N 0.67 4.15 -0.73 2.90 1.43 0.08 -4.81 118.68 122.36 2jxx s LEU 26 Ca 0.47 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.65 2jxx s LEU 26 Cb -0.21 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.71 2jxx s LEU 26 CO 0.26 0.01 1.45 -1.10 0.23 0.00 0.00 176.35 177.20 2jxx s GLN 27 N 1.09 3.07 -0.11 1.70 -0.21 -1.26 -1.32 119.66 122.61 2jxx s GLN 27 Ca 0.14 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.42 2jxx s GLN 27 Cb -0.14 -4.34 -0.02 0.00 1.00 0.00 0.00 33.01 29.51 2jxx s GLN 27 CO 0.06 -2.33 -0.10 -0.51 -2.12 0.00 0.00 175.29 170.29 2jxx s LEU 28 N 6.61 2.91 -0.10 2.90 1.43 -0.38 -0.25 118.68 131.80 2jxx s LEU 28 Ca 0.45 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 2jxx s LEU 28 Cb -0.08 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2jxx s LEU 28 CO 0.14 0.24 0.28 -0.13 0.23 0.00 0.00 176.35 177.11 2jxx s ARG 29 N -0.07 3.89 -0.05 1.70 0.52 -0.97 -1.32 118.95 122.65 2jxx s ARG 29 Ca -0.01 0.12 0.04 0.00 -0.52 0.00 0.00 55.73 55.36 2jxx s ARG 29 Cb -0.14 -3.29 -0.00 0.00 0.52 0.00 0.00 34.95 32.05 2jxx s ARG 29 CO 0.03 0.56 -0.18 0.08 0.02 0.00 0.00 175.30 175.81 2jxx s VAL 30 N -0.50 1.53 0.04 3.52 1.01 -0.09 -1.69 120.40 124.21 2jxx s VAL 30 Ca 0.18 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2jxx s VAL 30 Cb -0.14 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2jxx s VAL 30 CO 0.07 0.44 -0.11 -1.10 0.00 0.00 0.00 175.10 174.40 2jxx s GLN 31 N 0.13 0.73 0.55 2.72 -0.21 -0.74 -1.04 119.66 121.81 2jxx s GLN 31 Ca -0.07 -0.72 0.05 0.00 0.02 0.00 0.00 55.36 54.65 2jxx s GLN 31 Cb -0.13 -0.67 0.06 0.00 1.00 0.00 0.00 33.01 33.27 2jxx s GLN 31 CO 0.03 0.16 0.76 0.20 -2.12 0.00 0.00 175.29 174.32 2jxx s GLY 32 N -1.24 1.82 0.63 3.09 0.00 -0.54 -0.74 107.32 110.35 2jxx s GLY 32 Ca -0.02 -1.76 0.23 0.00 0.00 0.00 0.00 44.72 43.17 2jxx s GLY 32 CO 0.01 -1.40 1.68 0.50 0.00 0.00 0.00 173.10 173.90 2jxx h LYS 33 N 0.16 0.00 -6.40 2.90 1.57 -1.81 -3.43 116.57 109.55 2jxx h LYS 33 Ca -0.37 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.90 2jxx h LYS 33 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2jxx h LYS 33 CO 0.44 0.00 -0.21 -1.21 -0.57 0.00 0.00 179.45 177.90 2jxx s GLU 34 N -3.99 3.58 0.06 3.15 0.41 -1.26 -5.04 118.70 115.60 2jxx s GLU 34 Ca -0.03 -0.15 -0.21 0.00 -0.41 0.00 0.00 54.97 54.17 2jxx s GLU 34 Cb 0.07 -2.71 -0.12 0.00 -1.78 0.00 0.00 34.13 29.58 2jxx s GLU 34 CO 0.21 0.27 1.46 1.57 -0.49 0.00 0.00 175.26 178.28 2jxx h LYS 35 N 1.68 0.31 0.00 1.61 2.10 -2.04 -3.19 116.57 117.04 2jxx h LYS 35 Ca -0.48 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 2jxx h LYS 35 Cb 1.19 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2jxx h LYS 35 CO 0.66 0.56 -0.69 1.25 -2.00 0.00 0.00 179.45 179.23 2jxx h HIS 36 N 0.03 0.00 -0.56 0.07 6.17 -1.96 -3.43 115.15 115.47 2jxx h HIS 36 Ca 0.04 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.82 2jxx h HIS 36 Cb 0.44 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.32 2jxx h HIS 36 CO 0.04 0.00 0.90 -1.14 0.71 0.00 0.00 177.93 178.45 2jxx s GLN 37 N -3.24 2.48 -0.02 5.26 2.00 -1.21 -4.87 119.66 120.06 2jxx s GLN 37 Ca 0.04 -0.78 0.00 0.00 -2.00 0.00 0.00 55.36 52.63 2jxx s GLN 37 Cb 0.11 -5.16 0.02 0.00 0.80 0.00 0.00 33.01 28.78 2jxx s GLN 37 CO 0.74 -3.77 0.00 0.99 -0.50 0.00 0.00 175.29 172.75 2jxx s THR 38 N 10.80 0.14 -0.02 -0.34 2.01 -1.26 -1.46 115.64 125.50 2jxx s THR 38 Ca 0.70 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 2jxx s THR 38 Cb -0.03 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.28 2jxx s THR 38 CO 0.08 0.12 0.05 -0.22 -0.69 0.00 0.00 174.62 173.95 2jxx s LEU 39 N 0.83 1.22 -0.10 4.42 1.98 -0.20 -5.03 118.68 121.80 2jxx s LEU 39 Ca -0.08 0.09 0.04 0.00 -2.89 0.00 0.00 54.13 51.28 2jxx s LEU 39 Cb -0.11 0.04 0.00 0.00 0.66 0.00 0.00 46.19 46.78 2jxx s LEU 39 CO -0.02 -0.10 -0.23 -1.83 -1.89 0.00 0.00 176.35 172.29 2jxx s GLU 40 N 0.82 2.91 0.06 1.98 -1.05 -1.26 -0.91 118.70 121.25 2jxx s GLU 40 Ca -0.07 -0.83 0.04 0.00 -0.15 0.00 0.00 54.97 53.97 2jxx s GLU 40 Cb -0.09 -2.22 -0.03 0.00 -0.44 0.00 0.00 34.13 31.34 2jxx s GLU 40 CO -0.03 0.14 -0.12 0.54 0.95 0.00 0.00 175.26 176.74 2jxx s VAL 41 N 0.42 0.95 -0.50 1.83 0.11 -0.44 -5.00 120.40 117.78 2jxx s VAL 41 Ca -0.17 -1.21 -0.19 0.00 -2.93 0.00 0.00 61.98 57.48 2jxx s VAL 41 Cb -0.18 -0.93 0.06 0.00 -1.53 0.00 0.00 36.38 33.80 2jxx s VAL 41 CO 0.07 -0.25 0.59 -0.94 -3.33 0.00 0.00 175.10 171.25 2jxx s SER 42 N -1.63 6.22 -0.38 3.54 1.04 -1.26 -1.25 113.70 119.98 2jxx s SER 42 Ca -0.04 -0.94 -0.08 0.00 0.48 0.00 0.00 55.95 55.38 2jxx s SER 42 Cb -0.10 -2.27 0.06 0.00 0.10 0.00 0.00 66.02 63.80 2jxx s SER 42 CO 0.02 -0.84 0.18 -0.22 0.98 0.00 0.00 173.24 173.35 2jxx s LEU 43 N 2.49 4.73 -0.31 2.42 2.96 -0.43 -4.81 118.68 125.72 2jxx s LEU 43 Ca 0.14 -1.31 -0.30 0.00 -0.22 0.00 0.00 54.13 52.44 2jxx s LEU 43 Cb -0.20 -1.93 -0.13 0.00 0.50 0.00 0.00 46.19 44.44 2jxx s LEU 43 CO 0.12 -0.42 1.02 -1.20 -1.32 0.00 0.00 176.35 174.54 2jxx n SER 44 N 4.86 0.74 0.11 3.68 7.64 -1.26 -0.74 113.62 128.65 2jxx n SER 44 Ca -0.11 0.77 0.09 0.00 1.01 0.00 0.00 58.87 60.63 2jxx n SER 44 Cb 0.44 -0.57 0.45 0.00 -1.01 0.00 0.00 64.21 63.52 2jxx n SER 44 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jxx n ARG 45 N 2.50 0.12 0.00 1.43 1.85 -0.93 -1.37 116.66 120.27 2jxx n ARG 45 Ca 0.20 0.52 0.11 0.00 -1.00 0.00 0.00 57.85 57.67 2jxx n ARG 45 Cb -0.03 -1.82 -0.10 0.00 -1.05 0.00 0.00 32.46 29.45 2jxx n ARG 45 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2jxx n ASP 46 N -2.07 0.59 -4.84 2.89 5.75 -1.26 -2.93 116.55 114.67 2jxx n ASP 46 Ca 0.00 -0.50 -0.37 0.00 -0.01 0.00 0.00 54.79 53.91 2jxx n ASP 46 Cb 0.10 1.28 -0.06 0.00 -1.03 0.00 0.00 41.12 41.41 2jxx n ASP 46 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jxx s SER 47 N -3.69 6.81 0.62 -1.12 0.01 -0.47 -4.94 113.70 110.92 2jxx s SER 47 Ca 0.02 0.98 -0.19 0.00 1.31 0.00 0.00 55.95 58.07 2jxx s SER 47 Cb 0.15 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 2jxx s SER 47 CO 0.87 0.28 1.29 -2.84 0.41 0.00 0.00 173.24 173.25 2jxx s PRO 48 N -1.26 2.73 0.53 12.44 0.02 -1.26 -4.37 135.00 143.83 2jxx s PRO 48 Ca 0.26 2.06 0.27 0.00 0.02 0.00 0.00 61.00 63.62 2jxx s PRO 48 Cb -0.16 -1.93 1.43 0.00 0.02 0.00 0.00 34.50 33.85 2jxx s PRO 48 CO 0.15 -1.46 1.96 -0.07 -0.33 0.00 0.00 177.00 177.25 2jxx h LEU 49 N 0.77 0.00 -1.23 -5.54 -0.00 -0.94 -2.66 115.31 105.71 2jxx h LEU 49 Ca -0.51 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.49 2jxx h LEU 49 Cb 1.32 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.92 2jxx h LEU 49 CO 0.54 0.00 0.58 0.07 -0.00 0.00 0.00 178.44 179.63 2jxx h LYS 50 N 0.00 0.77 -0.28 1.13 5.09 -1.31 0.46 116.57 122.42 2jxx h LYS 50 Ca 0.30 -0.05 -0.14 0.00 0.09 0.00 0.00 60.65 60.86 2jxx h LYS 50 Cb 1.22 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 33.37 2jxx h LYS 50 CO -0.00 0.51 -0.39 0.00 -2.09 0.00 0.00 179.45 177.48 2jxx h THR 51 N 0.79 1.29 -0.30 0.07 1.03 -1.76 -1.32 112.91 112.71 2jxx h THR 51 Ca 0.44 -1.55 -0.05 0.00 -0.01 0.00 0.00 66.41 65.24 2jxx h THR 51 Cb 0.57 1.49 -0.01 0.00 -1.07 0.00 0.00 68.15 69.13 2jxx h THR 51 CO -0.20 0.50 0.01 0.25 -0.01 0.00 0.00 175.52 176.07 2jxx h LEU 52 N 0.54 0.52 -0.45 0.00 6.46 -1.38 -1.19 115.31 119.81 2jxx h LEU 52 Ca 0.05 -0.30 0.07 0.00 -0.12 0.00 0.00 57.88 57.58 2jxx h LEU 52 Cb 0.91 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.64 2jxx h LEU 52 CO 0.08 0.69 0.12 0.24 -0.62 0.00 0.00 178.44 178.95 2jxx h MET 53 N 0.33 0.26 -0.22 1.25 2.86 -0.87 -1.35 114.93 117.18 2jxx h MET 53 Ca 0.09 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2jxx h MET 53 Cb 0.42 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2jxx h MET 53 CO 0.01 0.17 -0.24 1.03 1.06 0.00 0.00 176.91 178.95 2jxx h SER 54 N 0.27 0.40 -0.01 1.22 0.87 -1.15 -2.44 113.55 112.71 2jxx h SER 54 Ca 0.22 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2jxx h SER 54 Cb 0.25 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2jxx h SER 54 CO -0.26 0.64 -0.00 -0.74 -0.53 0.00 0.00 176.83 175.94 2jxx h HIS 55 N 0.36 0.02 0.47 2.24 6.17 -0.58 -2.06 115.15 121.77 2jxx h HIS 55 Ca 0.06 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 2jxx h HIS 55 Cb 0.62 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.52 2jxx h HIS 55 CO 0.02 0.37 -0.48 -0.92 0.71 0.00 0.00 177.93 177.64 2jxx h TYR 56 N -0.35 -1.32 -0.79 5.26 5.03 -1.19 -1.39 116.97 122.24 2jxx h TYR 56 Ca 0.00 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 2jxx h TYR 56 Cb 0.37 0.51 -0.04 0.00 1.55 0.00 0.00 36.73 39.13 2jxx h TYR 56 CO 0.05 -0.63 0.35 1.05 -1.32 0.00 0.00 178.16 177.66 2jxx h GLU 57 N -0.95 1.15 -0.45 1.82 4.11 -1.52 -2.32 114.58 116.42 2jxx h GLU 57 Ca -0.06 -0.18 -0.10 0.00 0.07 0.00 0.00 59.36 59.09 2jxx h GLU 57 Cb 0.82 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2jxx h GLU 57 CO -0.06 0.91 -0.12 0.93 0.07 0.00 0.00 179.01 180.73 2jxx h GLU 58 N 1.13 0.83 -0.62 1.06 5.08 -1.38 0.39 114.58 121.07 2jxx h GLU 58 Ca 0.27 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2jxx h GLU 58 Cb 0.16 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2jxx h GLU 58 CO -0.03 0.91 0.29 0.00 -1.00 0.00 0.00 179.01 179.18 2jxx h ALA 59 N 1.12 0.81 -0.76 3.43 0.00 -0.67 -2.50 119.26 120.69 2jxx h ALA 59 Ca 0.12 0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.58 2jxx h ALA 59 Cb 0.63 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.10 2jxx h ALA 59 CO 0.04 -0.09 0.08 -1.33 0.00 0.00 0.00 179.25 177.95 2jxx n MET 60 N -4.90 2.72 -3.91 0.00 2.81 -1.17 -4.98 117.12 107.68 2jxx n MET 60 Ca 0.08 -3.52 -0.32 0.00 -1.81 0.00 0.00 57.70 52.14 2jxx n MET 60 Cb 0.22 -2.16 -0.07 0.00 -0.71 0.00 0.00 33.22 30.51 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 -0.93 -0.26 3.56 3.03 0.00 -0.94 -4.89 105.19 104.77 2jxx n GLY 61 Ca 0.49 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 -6.07 3.25 0.00 0.99 2.01 0.14 -4.51 118.68 114.48 2jxx s LEU 62 Ca 0.49 -1.03 0.00 0.00 0.01 0.00 0.00 54.13 53.60 2jxx s LEU 62 Cb -0.29 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.35 2jxx s LEU 62 CO 0.81 -2.46 0.00 -0.24 1.01 0.00 0.00 176.35 175.47 2jxx n SER 63 N 12.72 2.82 0.10 2.29 2.88 -1.26 -4.64 113.62 128.52 2jxx n SER 63 Ca 0.40 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.92 2jxx n SER 63 Cb 0.48 0.55 0.22 0.00 -0.75 0.00 0.00 64.21 64.71 2jxx n SER 63 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2jxx h GLY 64 N 0.00 0.23 -5.09 0.46 0.00 -2.00 -3.43 103.07 93.23 2jxx h GLY 64 Ca 0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 47.33 46.84 2jxx h GLY 64 CO 0.00 0.20 -0.73 1.09 0.00 0.00 0.00 176.54 177.10 2jxx s ARG 65 N -4.08 0.38 0.02 4.80 1.70 -1.26 -5.16 118.95 115.34 2jxx s ARG 65 Ca -0.04 -0.45 -0.03 0.00 -0.47 0.00 0.00 55.73 54.73 2jxx s ARG 65 Cb 0.13 -0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.26 2jxx s ARG 65 CO 0.77 0.04 0.22 0.21 -1.08 0.00 0.00 175.30 175.46 2jxx s LYS 66 N -0.91 3.48 0.12 3.89 2.36 -1.26 -4.83 119.74 122.60 2jxx s LYS 66 Ca -0.06 -0.27 0.08 0.00 -2.55 0.00 0.00 55.97 53.16 2jxx s LYS 66 Cb -0.06 -3.07 -0.04 0.00 -1.05 0.00 0.00 37.83 33.61 2jxx s LYS 66 CO -0.00 0.64 -0.18 -0.48 1.55 0.00 0.00 175.35 176.88 2jxx s LEU 67 N -2.04 2.36 0.49 5.43 -0.00 -1.26 -4.86 118.68 118.80 2jxx s LEU 67 Ca 0.30 -0.76 -0.03 0.00 -0.00 0.00 0.00 54.13 53.63 2jxx s LEU 67 Cb -0.13 -0.76 -0.01 0.00 -0.00 0.00 0.00 46.19 45.29 2jxx s LEU 67 CO 0.20 -0.03 0.76 -0.44 -0.00 0.00 0.00 176.35 176.84 2jxx s SER 68 N -2.26 5.95 -0.06 1.48 0.01 -0.59 -4.89 113.70 113.34 2jxx s SER 68 Ca 0.09 0.63 0.01 0.00 1.31 0.00 0.00 55.95 57.99 2jxx s SER 68 Cb -0.08 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.31 2jxx s SER 68 CO 0.05 -0.72 -0.07 -0.36 0.41 0.00 0.00 173.24 172.55 2jxx s PHE 69 N -2.71 1.03 -0.13 2.43 0.40 -1.26 -1.45 117.98 116.29 2jxx s PHE 69 Ca 0.49 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.47 2jxx s PHE 69 Cb -0.10 -0.85 0.02 0.00 0.51 0.00 0.00 43.02 42.60 2jxx s PHE 69 CO 0.42 -0.26 -0.14 -0.06 0.70 0.00 0.00 175.22 175.88 2jxx s PHE 70 N 0.99 2.03 -0.46 0.36 0.40 -1.08 -1.81 117.98 118.42 2jxx s PHE 70 Ca -0.10 -1.05 -0.16 0.00 -0.60 0.00 0.00 56.93 55.02 2jxx s PHE 70 Cb -0.14 -1.49 0.05 0.00 0.51 0.00 0.00 43.02 41.95 2jxx s PHE 70 CO 0.00 -0.57 0.41 0.12 0.70 0.00 0.00 175.22 175.89 2jxx s PHE 71 N 1.25 3.21 -1.43 0.36 5.36 -0.61 -0.28 117.98 125.84 2jxx s PHE 71 Ca -0.01 -0.73 -0.06 0.00 -0.96 0.00 0.00 56.93 55.18 2jxx s PHE 71 Cb -0.14 -3.06 0.04 0.00 -0.34 0.00 0.00 43.02 39.52 2jxx s PHE 71 CO -0.06 -0.78 0.74 -3.47 -1.46 0.00 0.00 175.22 170.19 2jxx n ASP 72 N 5.39 -2.29 0.00 6.13 2.03 -1.26 -1.86 116.55 124.68 2jxx n ASP 72 Ca -0.11 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.34 2jxx n ASP 72 Cb 0.45 -3.70 0.00 0.00 -0.72 0.00 0.00 41.12 37.15 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 -1.68 0.78 3.58 0.27 0.00 -1.26 -4.99 105.19 101.89 2jxx n GLY 73 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.31 4.65 -0.10 2.61 2.01 -0.78 -4.99 115.64 115.74 2jxx s THR 74 Ca 0.00 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 2jxx s THR 74 Cb 0.00 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 2jxx s THR 74 CO 0.00 -0.56 2.08 1.17 -0.69 0.00 0.00 174.62 176.62 2jxx n LYS 75 N 6.64 2.34 -3.12 4.92 3.00 -1.26 -1.57 118.16 129.11 2jxx n LYS 75 Ca 0.04 0.78 -0.39 0.00 -0.00 0.00 0.00 58.31 58.73 2jxx n LYS 75 Cb 0.48 -3.05 -0.05 0.00 0.00 0.00 0.00 35.03 32.41 2jxx n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jxx s LEU 76 N 6.19 4.25 0.23 3.14 1.43 -0.75 -4.98 118.68 128.19 2jxx s LEU 76 Ca 0.95 0.99 0.15 0.00 -1.03 0.00 0.00 54.13 55.19 2jxx s LEU 76 Cb -0.44 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 42.85 2jxx s LEU 76 CO 0.41 -0.15 1.34 -1.28 0.23 0.00 0.00 176.35 176.90 2jxx h SER 77 N 7.00 0.00 0.00 2.29 0.87 -1.93 -3.43 113.55 118.35 2jxx h SER 77 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2jxx h SER 77 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2jxx h SER 77 CO 0.76 0.55 0.00 0.61 -0.53 0.00 0.00 176.83 178.23 2jxx n GLY 78 N 1.26 3.60 1.03 5.77 0.00 -1.26 -4.94 105.19 110.65 2jxx n GLY 78 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 2.41 -3.13 1.61 1.74 -1.26 -0.96 116.66 117.06 2jxx n ARG 79 Ca 0.00 -1.92 -0.32 0.00 -0.77 0.00 0.00 57.85 54.83 2jxx n ARG 79 Cb 0.00 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 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 -1.42 3.99 0.25 5.56 1.03 -1.26 -4.93 118.70 121.92 2jxx s GLU 80 Ca 0.35 0.66 0.06 0.00 0.03 0.00 0.00 54.97 56.07 2jxx s GLU 80 Cb 0.20 -2.43 -0.03 0.00 -0.80 0.00 0.00 34.13 31.06 2jxx s GLU 80 CO 0.22 0.15 0.30 -0.51 -1.33 0.00 0.00 175.26 174.10 2jxx s LEU 81 N -3.01 4.10 0.59 1.83 1.43 -1.26 -1.30 118.68 121.05 2jxx s LEU 81 Ca 0.54 -0.07 0.37 0.00 -1.03 0.00 0.00 54.13 53.94 2jxx s LEU 81 Cb -0.10 -2.65 1.68 0.00 0.03 0.00 0.00 46.19 45.14 2jxx s LEU 81 CO 0.18 -0.08 2.10 1.55 0.23 0.00 0.00 176.35 180.33 2jxx h PRO 82 N 1.27 0.00 -0.71 1.29 0.13 -1.76 -0.96 132.00 131.26 2jxx h PRO 82 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2jxx h PRO 82 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2jxx h PRO 82 CO 0.60 0.00 0.27 0.00 -0.23 0.00 0.00 178.00 178.64 2jxx h ALA 83 N 2.00 1.12 -0.02 -0.56 0.00 -1.80 0.35 119.26 120.34 2jxx h ALA 83 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2jxx h ALA 83 Cb 0.36 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jxx h ALA 83 CO 0.00 0.62 -0.44 0.22 0.00 0.00 0.00 179.25 179.65 2jxx h ASP 84 N 1.04 0.42 0.69 0.00 3.58 -1.60 -3.27 116.42 117.28 2jxx h ASP 84 Ca 0.24 -0.74 -0.04 0.00 0.42 0.00 0.00 57.03 56.92 2jxx h ASP 84 Cb 0.23 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2jxx h ASP 84 CO -0.02 1.10 -0.17 -0.07 -2.88 0.00 0.00 179.24 177.20 2jxx h LEU 85 N -0.21 0.00 -2.75 2.28 3.38 -1.25 -3.48 115.31 113.28 2jxx h LEU 85 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2jxx h LEU 85 Cb 1.15 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.95 2jxx h LEU 85 CO 0.09 0.17 -0.20 0.61 0.09 0.00 0.00 178.44 179.20 2jxx n GLY 86 N -0.20 -0.30 3.25 0.83 0.00 -0.49 -5.07 105.19 103.22 2jxx n GLY 86 Ca -0.01 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 2jxx n GLY 86 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jxx s MET 87 N -3.32 1.05 0.20 1.61 0.00 -0.01 -5.05 119.30 113.78 2jxx s MET 87 Ca 0.11 -1.23 -0.11 0.00 0.00 0.00 0.00 55.69 54.46 2jxx s MET 87 Cb -0.01 -1.01 -0.00 0.00 0.00 0.00 0.00 34.83 33.80 2jxx s MET 87 CO 0.32 0.20 0.37 -2.00 0.00 0.00 0.00 175.02 173.91 2jxx s GLU 88 N -2.52 1.32 -0.12 4.11 2.12 -1.26 -4.67 118.70 117.68 2jxx s GLU 88 Ca 0.09 -1.20 -0.33 0.00 0.36 0.00 0.00 54.97 53.89 2jxx s GLU 88 Cb -0.06 0.42 -0.11 0.00 0.26 0.00 0.00 34.13 34.64 2jxx s GLU 88 CO 0.04 -0.52 1.97 0.43 -0.54 0.00 0.00 175.26 176.63 2jxx n SER 89 N -0.29 3.37 0.00 -1.70 7.64 -1.26 -2.40 113.62 118.98 2jxx n SER 89 Ca -0.05 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.65 2jxx n SER 89 Cb 0.63 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2jxx n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jxx n GLY 90 N 4.81 1.86 3.43 0.23 0.00 0.65 -4.88 105.19 111.28 2jxx n GLY 90 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.92 -3.76 1.61 8.00 -1.01 -4.69 116.55 114.79 2jxx n ASP 91 Ca 0.00 -0.17 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 2jxx n ASP 91 Cb 0.00 -1.20 -0.16 0.00 -0.02 0.00 0.00 41.12 39.74 2jxx n ASP 91 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jxx s LEU 92 N -6.04 1.31 0.15 0.64 2.96 -1.26 -2.30 118.68 114.14 2jxx s LEU 92 Ca 0.66 -0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2jxx s LEU 92 Cb -0.23 -0.65 -0.06 0.00 0.50 0.00 0.00 46.19 45.75 2jxx s LEU 92 CO 0.66 -0.29 0.38 -0.63 -1.32 0.00 0.00 176.35 175.15 2jxx s ILE 93 N 1.81 5.16 0.34 6.68 1.01 -0.68 -4.23 121.20 131.29 2jxx s ILE 93 Ca -0.01 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2jxx s ILE 93 Cb -0.17 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2jxx s ILE 93 CO -0.08 0.02 0.19 -1.61 0.00 0.00 0.00 174.94 173.46 2jxx s GLU 94 N -2.71 2.48 -0.18 2.79 2.02 0.61 -1.79 118.70 121.92 2jxx s GLU 94 Ca 0.41 -1.47 -0.05 0.00 0.02 0.00 0.00 54.97 53.88 2jxx s GLU 94 Cb -0.12 -2.27 0.06 0.00 0.10 0.00 0.00 34.13 31.91 2jxx s GLU 94 CO 0.25 0.11 0.09 0.08 0.02 0.00 0.00 175.26 175.81 2jxx s VAL 95 N -2.39 -0.08 -0.35 2.63 1.01 0.09 -2.62 120.40 118.69 2jxx s VAL 95 Ca 0.39 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2jxx s VAL 95 Cb -0.03 -0.60 0.10 0.00 0.00 0.00 0.00 36.38 35.85 2jxx s VAL 95 CO 0.24 -0.30 0.07 0.26 0.00 0.00 0.00 175.10 175.36 2jxx s TRP 96 N 2.13 3.75 0.00 5.22 0.52 -0.53 -2.52 118.94 127.51 2jxx s TRP 96 Ca 0.02 -2.95 0.00 0.00 0.02 0.00 0.00 56.10 53.19 2jxx s TRP 96 Cb -0.16 -2.96 0.00 0.00 -1.15 0.00 0.00 33.47 29.20 2jxx s TRP 96 CO -0.10 -0.95 0.00 0.41 0.02 0.00 0.00 176.95 176.33