#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k14 h SER 2 N 0.00 0.52 -0.25 1.61 4.64 -2.06 -1.65 113.55 116.37 2k14 h SER 2 Ca 0.00 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2k14 h SER 2 Cb 0.00 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2k14 h SER 2 CO 0.00 0.30 0.12 0.45 -0.87 0.00 0.00 176.83 176.83 2k14 h HIS 3 N 0.57 0.41 -0.10 4.77 -0.00 -2.05 -0.40 115.15 118.35 2k14 h HIS 3 Ca 0.34 -0.01 -0.19 0.00 -0.00 0.00 0.00 60.37 60.52 2k14 h HIS 3 Cb 0.57 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2k14 h HIS 3 CO -0.00 0.33 -0.71 1.98 -0.00 0.00 0.00 177.93 179.54 2k14 h MET 4 N 0.42 0.48 -0.49 2.45 1.85 -1.73 -1.15 114.93 116.76 2k14 h MET 4 Ca 0.11 -0.38 -0.11 0.00 -0.61 0.00 0.00 59.70 58.71 2k14 h MET 4 Cb 0.09 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.18 2k14 h MET 4 CO -0.01 1.00 -0.12 -0.07 -0.40 0.00 0.00 176.91 177.32 2k14 h LEU 5 N 0.33 0.95 -0.51 3.39 3.38 -1.26 -0.28 115.31 121.30 2k14 h LEU 5 Ca -0.03 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 2k14 h LEU 5 Cb 1.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2k14 h LEU 5 CO 0.13 1.09 0.22 -0.33 0.09 0.00 0.00 178.44 179.64 2k14 h GLU 6 N 0.79 0.75 -0.87 1.13 5.08 -1.09 -1.06 114.58 119.31 2k14 h GLU 6 Ca 0.12 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k14 h GLU 6 Cb 0.67 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2k14 h GLU 6 CO 0.05 0.65 0.56 0.77 -1.00 0.00 0.00 179.01 180.04 2k14 h SER 7 N 0.69 1.02 -0.61 1.42 0.02 -1.09 -0.94 113.55 114.05 2k14 h SER 7 Ca 0.17 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2k14 h SER 7 Cb 0.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2k14 h SER 7 CO -0.02 0.75 0.11 0.28 -1.14 0.00 0.00 176.83 176.82 2k14 h SER 8 N 1.18 0.98 -0.50 3.07 0.02 -0.81 -0.43 113.55 117.06 2k14 h SER 8 Ca 0.32 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2k14 h SER 8 Cb -0.10 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.16 2k14 h SER 8 CO -0.06 0.97 -0.02 0.00 -1.14 0.00 0.00 176.83 176.58 2k14 h ALA 9 N 1.14 0.68 -0.62 3.77 0.00 -0.87 -0.70 119.26 122.67 2k14 h ALA 9 Ca 0.20 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2k14 h ALA 9 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k14 h ALA 9 CO 0.01 0.51 0.09 0.93 0.00 0.00 0.00 179.25 180.78 2k14 h GLU 10 N 0.76 1.04 -0.32 0.00 5.08 -0.99 -0.86 114.58 119.29 2k14 h GLU 10 Ca 0.14 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2k14 h GLU 10 Cb 0.55 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2k14 h GLU 10 CO 0.03 0.97 -0.16 0.93 -1.00 0.00 0.00 179.01 179.79 2k14 h GLU 11 N 0.94 0.57 -0.55 2.33 5.08 -1.04 -0.65 114.58 121.27 2k14 h GLU 11 Ca 0.19 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2k14 h GLU 11 Cb 0.45 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k14 h GLU 11 CO 0.01 0.71 -0.01 0.77 -1.00 0.00 0.00 179.01 179.49 2k14 h SER 12 N 0.52 0.92 -0.44 1.42 0.02 -0.89 -1.34 113.55 113.76 2k14 h SER 12 Ca 0.09 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 2k14 h SER 12 Cb 0.57 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2k14 h SER 12 CO 0.04 0.99 -0.18 0.25 -1.14 0.00 0.00 176.83 176.78 2k14 h LEU 13 N 0.87 0.95 -1.14 5.07 7.12 -0.89 -0.74 115.31 126.54 2k14 h LEU 13 Ca 0.16 -0.34 -0.01 0.00 0.13 0.00 0.00 57.88 57.82 2k14 h LEU 13 Cb 0.53 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 40.36 2k14 h LEU 13 CO 0.03 1.10 0.41 0.00 -0.13 0.00 0.00 178.44 179.85 2k14 h ALA 14 N 0.97 1.35 -0.48 1.25 0.00 -0.96 0.09 119.26 121.47 2k14 h ALA 14 Ca 0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2k14 h ALA 14 Cb 0.73 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2k14 h ALA 14 CO 0.06 0.54 -0.02 -0.92 0.00 0.00 0.00 179.25 178.91 2k14 h TYR 15 N 1.01 0.95 -0.93 0.00 3.20 -0.98 -0.45 116.97 119.77 2k14 h TYR 15 Ca 0.26 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2k14 h TYR 15 Cb 0.00 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 37.98 2k14 h TYR 15 CO 0.01 0.90 0.59 0.00 -1.64 0.00 0.00 178.16 178.02 2k14 h ARG 16 N 0.72 1.24 -0.40 1.82 3.08 -0.73 -1.38 114.38 118.73 2k14 h ARG 16 Ca 0.13 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2k14 h ARG 16 Cb 0.54 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2k14 h ARG 16 CO 0.03 0.84 -0.07 1.49 -1.07 0.00 0.00 179.97 181.19 2k14 h GLU 17 N 1.27 0.76 0.00 0.04 4.81 -0.89 -3.10 114.58 117.47 2k14 h GLU 17 Ca 0.34 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2k14 h GLU 17 Cb -0.10 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2k14 h GLU 17 CO -0.07 0.89 -0.11 0.22 -0.73 0.00 0.00 179.01 179.21 2k14 h ASP 18 N 0.58 0.00 0.02 1.04 3.58 -0.68 -1.30 116.42 119.66 2k14 h ASP 18 Ca 0.11 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2k14 h ASP 18 Cb 0.59 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2k14 h ASP 18 CO 0.04 0.11 -0.04 -0.78 -2.88 0.00 0.00 179.24 175.69 2k14 h ASP 19 N 0.00 0.04 0.40 2.28 3.58 -1.18 -2.38 116.42 119.16 2k14 h ASP 19 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k14 h ASP 19 Cb 0.26 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2k14 h ASP 19 CO 0.01 0.09 0.00 0.18 -2.88 0.00 0.00 179.24 176.65 2k14 n LEU 20 N -4.46 0.65 0.17 2.28 4.77 -0.49 -2.91 117.00 117.00 2k14 n LEU 20 Ca -0.02 0.72 0.17 0.00 -0.03 0.00 0.00 56.01 56.85 2k14 n LEU 20 Cb 0.14 -0.70 0.79 0.00 -2.33 0.00 0.00 43.42 41.32 2k14 n LEU 20 CO 0.35 -0.76 1.15 -0.09 -1.33 0.00 0.00 177.39 176.71 2k14 h ARG 21 N 0.00 0.00 -0.43 3.23 2.43 -1.55 -1.77 114.38 116.30 2k14 h ARG 21 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k14 h ARG 21 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2k14 h ARG 21 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 2k14 n GLY 22 N -1.45 0.54 3.26 2.80 0.00 -1.15 -4.58 105.19 104.61 2k14 n GLY 22 Ca 0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2k14 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k14 s ARG 23 N -1.64 1.09 0.58 1.61 0.52 -0.67 -5.09 118.95 115.35 2k14 s ARG 23 Ca 0.12 -1.44 -0.11 0.00 -0.52 0.00 0.00 55.73 53.78 2k14 s ARG 23 Cb 0.08 -0.71 -0.05 0.00 0.52 0.00 0.00 34.95 34.78 2k14 s ARG 23 CO 0.07 0.10 0.99 -0.51 0.02 0.00 0.00 175.30 175.96 2k14 s LEU 24 N -3.10 3.36 0.00 2.53 2.01 -1.26 -3.04 118.68 119.18 2k14 s LEU 24 Ca 0.16 1.39 0.04 0.00 0.01 0.00 0.00 54.13 55.73 2k14 s LEU 24 Cb 0.01 -4.40 -0.01 0.00 0.01 0.00 0.00 46.19 41.80 2k14 s LEU 24 CO 0.02 -0.78 0.14 0.61 1.01 0.00 0.00 176.35 177.35 2k14 n GLY 25 N -2.45 3.48 2.83 -3.19 0.00 0.91 -1.31 105.19 105.47 2k14 n GLY 25 Ca 0.05 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 2k14 n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k14 s LYS 26 N -2.66 0.15 0.15 1.61 2.47 0.75 -1.03 119.74 121.19 2k14 s LYS 26 Ca 0.19 0.41 -0.30 0.00 -1.56 0.00 0.00 55.97 54.71 2k14 s LYS 26 Cb 0.01 -0.73 -0.07 0.00 -1.46 0.00 0.00 37.83 35.58 2k14 s LYS 26 CO 0.14 -0.50 1.15 0.08 0.16 0.00 0.00 175.35 176.37 2k14 s VAL 27 N 2.35 3.84 0.00 4.02 1.01 -1.05 -1.49 120.40 129.07 2k14 s VAL 27 Ca 0.05 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2k14 s VAL 27 Cb -0.14 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2k14 s VAL 27 CO -0.10 0.22 0.00 2.30 0.00 0.00 0.00 175.10 177.52 2k14 n ILE 28 N 2.76 0.00 -3.90 2.22 -0.00 -0.17 -0.99 119.36 119.28 2k14 n ILE 28 Ca 0.04 -0.37 -0.18 0.00 -0.00 0.00 0.00 62.75 62.24 2k14 n ILE 28 Cb 0.46 0.95 -0.17 0.00 -0.00 0.00 0.00 39.64 40.89 2k14 n ILE 28 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 2k14 s THR 29 N -0.87 0.20 0.40 7.28 2.01 -1.13 -4.84 115.64 118.70 2k14 s THR 29 Ca 0.00 0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.85 2k14 s THR 29 Cb 0.00 -0.32 -0.11 0.00 0.01 0.00 0.00 72.50 72.09 2k14 s THR 29 CO 0.00 0.17 1.19 0.00 -0.69 0.00 0.00 174.62 175.29 2k14 n ALA 30 N 4.38 0.91 -3.89 7.40 0.00 -1.26 -1.51 120.51 126.54 2k14 n ALA 30 Ca -0.21 0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2k14 n ALA 30 Cb 0.50 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.61 2k14 n ALA 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k14 s VAL 31 N -1.20 2.14 1.01 0.00 1.01 -0.07 -3.56 120.40 119.74 2k14 s VAL 31 Ca 0.61 -2.85 -0.15 0.00 0.00 0.00 0.00 61.98 59.59 2k14 s VAL 31 Cb -0.54 -2.51 0.20 0.00 0.00 0.00 0.00 36.38 33.53 2k14 s VAL 31 CO 0.58 -0.78 1.15 -2.16 0.00 0.00 0.00 175.10 173.90 2k14 s PRO 32 N 0.19 0.28 0.32 2.72 0.04 -1.26 -0.64 135.00 136.65 2k14 s PRO 32 Ca 0.16 0.10 0.18 0.00 0.04 0.00 0.00 61.00 61.48 2k14 s PRO 32 Cb -0.24 -1.76 0.98 0.00 0.04 0.00 0.00 34.50 33.53 2k14 s PRO 32 CO -0.03 -2.74 1.51 1.33 0.04 0.00 0.00 177.00 177.12 2k14 n VAL 33 N -4.11 0.89 -2.12 -0.36 0.24 -1.21 -2.05 118.33 109.61 2k14 n VAL 33 Ca 0.10 0.74 0.00 0.00 -2.04 0.00 0.00 64.34 63.14 2k14 n VAL 33 Cb 0.59 -1.74 -0.00 0.00 -1.47 0.00 0.00 33.84 31.22 2k14 n VAL 33 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2k14 n ASP 34 N -2.17 0.14 -1.12 -1.34 5.75 -1.26 -4.42 116.55 112.13 2k14 n ASP 34 Ca -0.01 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 2k14 n ASP 34 Cb 0.14 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2k14 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k14 n GLY 35 N 0.12 4.49 3.17 6.12 0.00 -0.87 -5.07 105.19 113.15 2k14 n GLY 35 Ca -0.01 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 2k14 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k14 s PHE 36 N -1.36 1.36 0.00 1.61 0.40 -1.26 -4.11 117.98 114.62 2k14 s PHE 36 Ca 0.00 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2k14 s PHE 36 Cb 0.00 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.72 2k14 s PHE 36 CO 0.00 0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.38 2k14 n GLY 37 N 1.89 4.39 2.99 4.36 0.00 -0.37 -4.61 105.19 113.84 2k14 n GLY 37 Ca -0.18 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 2k14 n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k14 s GLU 38 N 3.36 0.32 0.05 1.61 0.41 -0.57 -0.96 118.70 122.93 2k14 s GLU 38 Ca 0.00 -0.56 -0.05 0.00 -0.41 0.00 0.00 54.97 53.95 2k14 s GLU 38 Cb 0.00 0.12 -0.01 0.00 -1.78 0.00 0.00 34.13 32.45 2k14 s GLU 38 CO 0.00 -0.05 0.10 0.54 -0.49 0.00 0.00 175.26 175.35 2k14 s VAL 39 N -1.38 0.15 0.06 2.63 0.11 -0.27 -1.00 120.40 120.70 2k14 s VAL 39 Ca -0.15 -1.27 0.06 0.00 -2.93 0.00 0.00 61.98 57.69 2k14 s VAL 39 Cb -0.09 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 2k14 s VAL 39 CO -0.01 -0.70 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.21 2k14 s VAL 40 N -3.24 1.27 0.60 2.04 1.01 -0.56 -0.81 120.40 120.70 2k14 s VAL 40 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 2k14 s VAL 40 Cb 0.03 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2k14 s VAL 40 CO -0.08 -0.05 1.12 -0.63 0.00 0.00 0.00 175.10 175.47 2k14 s ILE 41 N -1.01 3.18 -0.12 2.22 -1.09 -1.26 -0.18 121.20 122.93 2k14 s ILE 41 Ca 0.02 0.65 0.23 0.00 -2.23 0.00 0.00 60.65 59.32 2k14 s ILE 41 Cb -0.09 -3.20 0.23 0.00 -1.58 0.00 0.00 42.46 37.82 2k14 s ILE 41 CO 0.02 -0.24 1.72 -0.33 -1.23 0.00 0.00 174.94 174.88 2k14 h GLU 42 N 0.68 0.00 -2.15 2.79 4.39 -1.50 -3.11 114.58 115.67 2k14 h GLU 42 Ca -0.49 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.13 2k14 h GLU 42 Cb 1.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 2k14 h GLU 42 CO 0.56 0.00 -0.09 0.41 -1.16 0.00 0.00 179.01 178.73 2k14 n GLY 43 N -1.28 2.26 0.43 -3.84 0.00 -1.26 -4.77 105.19 96.73 2k14 n GLY 43 Ca -0.02 -0.52 0.23 0.00 0.00 0.00 0.00 46.02 45.72 2k14 n GLY 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2k14 h ILE 44 N 1.85 0.30 0.00 -0.61 -0.00 -1.91 -0.35 117.51 116.79 2k14 h ILE 44 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.94 2k14 h ILE 44 Cb 0.96 0.50 0.00 0.00 -0.00 0.00 0.00 36.82 38.27 2k14 h ILE 44 CO 0.18 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.94 2k14 n GLY 45 N -1.56 -1.23 1.06 0.16 0.00 -1.26 -4.23 105.19 98.13 2k14 n GLY 45 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 2k14 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k14 n GLY 46 N 1.15 0.71 3.33 -0.02 0.00 -0.17 -5.14 105.19 105.05 2k14 n GLY 46 Ca 0.14 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 2k14 n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k14 s THR 47 N 0.00 0.30 -0.02 2.61 -4.23 -1.06 -5.05 115.64 108.19 2k14 s THR 47 Ca 0.10 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 2k14 s THR 47 Cb 0.12 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 2k14 s THR 47 CO -0.05 0.00 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.28 2k14 s ILE 48 N -3.63 1.00 0.53 2.99 1.01 -1.26 -4.95 121.20 116.89 2k14 s ILE 48 Ca 0.36 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 2k14 s ILE 48 Cb 0.05 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.61 2k14 s ILE 48 CO 0.18 0.29 1.15 -0.94 0.00 0.00 0.00 174.94 175.62 2k14 s SER 49 N -0.14 5.75 0.06 3.58 1.04 -1.26 -4.57 113.70 118.16 2k14 s SER 49 Ca 0.02 2.24 -0.03 0.00 0.48 0.00 0.00 55.95 58.66 2k14 s SER 49 Cb -0.07 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 2k14 s SER 49 CO 0.00 -1.20 0.03 -0.54 0.98 0.00 0.00 173.24 172.51 2k14 s LYS 50 N -3.16 0.64 0.60 4.02 -0.14 0.01 -4.99 119.74 116.73 2k14 s LYS 50 Ca 0.71 -1.08 -0.18 0.00 -1.36 0.00 0.00 55.97 54.06 2k14 s LYS 50 Cb -0.26 0.24 -0.03 0.00 -1.68 0.00 0.00 37.83 36.10 2k14 s LYS 50 CO 0.30 -0.14 1.19 -1.12 -0.76 0.00 0.00 175.35 174.81 2k14 s SER 51 N -2.74 5.15 0.01 2.83 0.01 -0.99 -1.12 113.70 116.86 2k14 s SER 51 Ca 0.04 2.34 -0.01 0.00 1.31 0.00 0.00 55.95 59.63 2k14 s SER 51 Cb 0.05 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2k14 s SER 51 CO -0.09 -1.62 -0.01 0.00 0.41 0.00 0.00 173.24 171.94 2k14 s ALA 52 N -1.69 0.04 0.12 1.44 0.00 -0.13 -1.14 121.76 120.39 2k14 s ALA 52 Ca 0.76 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.45 2k14 s ALA 52 Cb -0.29 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2k14 s ALA 52 CO 0.34 -0.10 -0.14 0.14 0.00 0.00 0.00 175.76 175.99 2k14 s VAL 53 N -0.89 1.34 -0.92 0.00 -7.23 -0.18 -1.24 120.40 111.28 2k14 s VAL 53 Ca -0.10 -1.69 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 2k14 s VAL 53 Cb -0.06 -1.51 0.08 0.00 0.56 0.00 0.00 36.38 35.45 2k14 s VAL 53 CO -0.00 -0.39 1.26 -0.94 -0.31 0.00 0.00 175.10 174.71 2k14 s SER 54 N -2.39 6.47 0.36 4.85 1.04 -1.26 -0.87 113.70 121.90 2k14 s SER 54 Ca 0.08 -1.51 0.06 0.00 0.48 0.00 0.00 55.95 55.06 2k14 s SER 54 Cb -0.05 -2.49 0.75 0.00 0.10 0.00 0.00 66.02 64.33 2k14 s SER 54 CO 0.03 -1.37 1.94 0.15 0.98 0.00 0.00 173.24 174.97 2k14 h PHE 55 N 9.44 0.78 -0.58 5.02 3.57 -1.48 -2.49 116.94 131.20 2k14 h PHE 55 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2k14 h PHE 55 Cb 1.03 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2k14 h PHE 55 CO 1.19 0.39 0.00 -3.47 -2.23 0.00 0.00 178.31 174.19 2k14 n ASP 56 N -4.49 5.41 -3.97 0.41 2.03 -1.26 -4.95 116.55 109.73 2k14 n ASP 56 Ca 0.12 -2.81 -0.27 0.00 0.52 0.00 0.00 54.79 52.34 2k14 n ASP 56 Cb 0.26 -0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 2k14 n ASP 56 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k14 n ASN 57 N 0.69 -1.47 -4.72 1.67 4.13 -0.94 -5.01 115.26 109.62 2k14 n ASN 57 Ca 0.27 -0.96 -0.28 0.00 1.68 0.00 0.00 54.58 55.29 2k14 n ASN 57 Cb 1.11 -3.21 -0.07 0.00 -1.54 0.00 0.00 39.78 36.06 2k14 n ASN 57 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2k14 s GLN 58 N -6.56 2.62 -0.17 3.52 -1.52 -1.26 -4.69 119.66 111.60 2k14 s GLN 58 Ca 0.22 -0.92 -0.24 0.00 -1.95 0.00 0.00 55.36 52.46 2k14 s GLN 58 Cb -0.11 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.13 2k14 s GLN 58 CO 0.88 0.50 0.77 -1.14 -0.25 0.00 0.00 175.29 176.05 2k14 s GLN 59 N -2.73 4.29 -0.45 2.91 -0.44 -1.26 -3.31 119.66 118.68 2k14 s GLN 59 Ca 0.28 0.90 0.03 0.00 -2.50 0.00 0.00 55.36 54.07 2k14 s GLN 59 Cb -0.11 -3.56 0.13 0.00 -1.64 0.00 0.00 33.01 27.83 2k14 s GLN 59 CO 0.20 -0.26 0.21 0.42 0.50 0.00 0.00 175.29 176.36 2k14 s ILE 60 N 1.95 1.86 1.02 -2.34 1.01 0.18 -4.98 121.20 119.90 2k14 s ILE 60 Ca 0.36 -2.70 -0.12 0.00 0.00 0.00 0.00 60.65 58.18 2k14 s ILE 60 Cb -0.16 -2.31 0.20 0.00 0.01 0.00 0.00 42.46 40.19 2k14 s ILE 60 CO 0.12 -0.81 1.08 -0.44 0.00 0.00 0.00 174.94 174.90 2k14 s SER 61 N 0.29 2.38 0.36 3.58 0.01 -1.26 -0.89 113.70 118.17 2k14 s SER 61 Ca 0.16 1.24 -0.26 0.00 1.31 0.00 0.00 55.95 58.40 2k14 s SER 61 Cb -0.24 -1.92 -0.12 0.00 0.21 0.00 0.00 66.02 63.94 2k14 s SER 61 CO -0.03 -3.29 0.96 0.00 0.41 0.00 0.00 173.24 171.29 2k14 n TYR 62 N -4.29 1.03 -2.56 2.43 4.19 -1.26 -3.98 117.16 112.71 2k14 n TYR 62 Ca 0.05 0.63 -0.06 0.00 3.31 0.00 0.00 57.90 61.83 2k14 n TYR 62 Cb 0.57 -2.21 0.01 0.00 0.49 0.00 0.00 39.34 38.20 2k14 n TYR 62 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k14 n GLY 63 N 1.27 0.46 3.27 2.98 0.00 -0.16 -5.00 105.19 108.01 2k14 n GLY 63 Ca 0.10 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 2k14 n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k14 s THR 64 N -2.83 1.53 -0.17 2.61 -1.32 -1.26 -5.00 115.64 109.22 2k14 s THR 64 Ca 0.10 -1.74 -0.16 0.00 -1.21 0.00 0.00 61.69 58.68 2k14 s THR 64 Cb -0.04 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 2k14 s THR 64 CO 0.12 -0.33 0.38 -0.89 -2.21 0.00 0.00 174.62 171.69 2k14 s THR 65 N -1.95 5.24 0.04 5.08 2.01 -1.26 -2.53 115.64 122.27 2k14 s THR 65 Ca 0.10 0.71 0.06 0.00 0.31 0.00 0.00 61.69 62.88 2k14 s THR 65 Cb -0.06 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2k14 s THR 65 CO 0.04 0.32 -0.17 0.68 -0.69 0.00 0.00 174.62 174.80 2k14 s VAL 66 N 0.84 1.39 -0.15 3.82 -7.23 -0.20 -1.31 120.40 117.56 2k14 s VAL 66 Ca 0.20 -1.11 -0.17 0.00 -1.81 0.00 0.00 61.98 59.09 2k14 s VAL 66 Cb -0.14 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 2k14 s VAL 66 CO 0.07 0.10 0.44 -0.22 -0.31 0.00 0.00 175.10 175.18 2k14 s LEU 67 N -1.18 4.23 -1.36 1.32 2.96 0.01 -0.06 118.68 124.59 2k14 s LEU 67 Ca 0.05 0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 54.48 2k14 s LEU 67 Cb -0.08 -2.62 0.06 0.00 0.50 0.00 0.00 46.19 44.05 2k14 s LEU 67 CO 0.02 -0.03 1.95 0.52 -1.32 0.00 0.00 176.35 177.48 2k14 n VAL 68 N 3.93 3.72 0.25 1.68 0.31 -1.17 -2.18 118.33 124.87 2k14 n VAL 68 Ca -0.08 -3.62 0.13 0.00 -0.01 0.00 0.00 64.34 60.76 2k14 n VAL 68 Cb 0.51 -2.46 0.63 0.00 -0.91 0.00 0.00 33.84 31.62 2k14 n VAL 68 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2k14 h VAL 69 N 4.91 0.43 -3.86 2.52 -1.51 -1.44 -3.41 116.25 113.90 2k14 h VAL 69 Ca 0.50 -0.75 -0.10 0.00 -1.23 0.00 0.00 66.70 65.12 2k14 h VAL 69 Cb 0.77 1.53 -0.12 0.00 -2.13 0.00 0.00 31.29 31.34 2k14 h VAL 69 CO 1.64 0.13 -0.30 -0.62 -1.23 0.00 0.00 177.57 177.19 2k14 s ASP 70 N -6.03 0.03 -0.07 4.19 -1.08 -0.90 -5.03 116.67 107.78 2k14 s ASP 70 Ca -0.01 -0.85 -0.06 0.00 -0.52 0.00 0.00 52.55 51.11 2k14 s ASP 70 Cb 0.11 0.44 0.02 0.00 -1.46 0.00 0.00 42.92 42.03 2k14 s ASP 70 CO 0.59 -0.90 0.19 -0.63 0.52 0.00 0.00 175.17 174.94 2k14 s ILE 71 N -3.96 -0.00 0.13 4.11 1.01 -1.26 -0.43 121.20 120.79 2k14 s ILE 71 Ca 0.17 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2k14 s ILE 71 Cb 0.03 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2k14 s ILE 71 CO -0.00 0.01 -0.05 0.21 0.00 0.00 0.00 174.94 175.10 2k14 s ASN 72 N 0.20 1.25 -0.75 3.58 3.84 -0.77 -4.96 114.94 117.32 2k14 s ASN 72 Ca -0.01 -1.06 -0.28 0.00 0.21 0.00 0.00 52.86 51.73 2k14 s ASN 72 Cb -0.02 0.09 -0.15 0.00 -0.55 0.00 0.00 41.25 40.62 2k14 s ASN 72 CO -0.00 -0.48 2.53 -3.20 -2.79 0.00 0.00 177.10 173.16 2k14 n ASN 73 N -0.13 1.23 -0.10 -4.21 5.15 -1.26 -0.81 115.26 115.14 2k14 n ASN 73 Ca -0.10 -0.25 -0.01 0.00 -0.60 0.00 0.00 54.58 53.62 2k14 n ASN 73 Cb 0.62 -1.25 -0.01 0.00 -0.53 0.00 0.00 39.78 38.61 2k14 n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k14 n GLY 74 N 6.24 0.31 2.58 8.20 0.00 -1.26 -4.95 105.19 116.31 2k14 n GLY 74 Ca 0.52 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 2k14 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k14 s VAL 75 N -1.49 0.97 0.42 1.61 1.01 0.01 -2.34 120.40 120.58 2k14 s VAL 75 Ca 0.00 -2.61 -0.23 0.00 0.00 0.00 0.00 61.98 59.14 2k14 s VAL 75 Cb 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2k14 s VAL 75 CO 0.00 -1.04 1.06 -0.76 0.00 0.00 0.00 175.10 174.36 2k14 s LEU 76 N 0.19 4.07 -0.23 3.92 1.02 -0.29 -1.85 118.68 125.51 2k14 s LEU 76 Ca 0.23 2.06 -0.05 0.00 0.02 0.00 0.00 54.13 56.39 2k14 s LEU 76 Cb -0.13 -4.26 -0.02 0.00 0.02 0.00 0.00 46.19 41.81 2k14 s LEU 76 CO -0.08 -0.60 0.00 -0.44 0.02 0.00 0.00 176.35 175.25 2k14 s SER 77 N -1.61 4.65 0.19 2.29 0.01 0.42 -1.01 113.70 118.65 2k14 s SER 77 Ca 0.60 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.59 2k14 s SER 77 Cb -0.22 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 2k14 s SER 77 CO 0.27 -0.02 -0.04 0.68 0.41 0.00 0.00 173.24 174.54 2k14 s VAL 78 N 1.47 1.06 -0.12 3.43 -7.23 -0.05 -1.29 120.40 117.68 2k14 s VAL 78 Ca 0.05 -2.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 2k14 s VAL 78 Cb -0.15 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.72 2k14 s VAL 78 CO -0.00 -0.52 0.37 0.28 -0.31 0.00 0.00 175.10 174.92 2k14 s THR 79 N -3.40 0.01 -0.77 5.32 -1.32 -0.93 -1.22 115.64 113.33 2k14 s THR 79 Ca 0.23 -0.08 -0.25 0.00 -1.21 0.00 0.00 61.69 60.37 2k14 s THR 79 Cb 0.04 -0.55 -0.03 0.00 -1.51 0.00 0.00 72.50 70.45 2k14 s THR 79 CO 0.05 -0.05 1.87 -2.16 -2.21 0.00 0.00 174.62 172.12 2k14 s PRO 80 N -0.09 2.64 0.23 7.08 0.04 -1.26 -0.81 135.00 142.83 2k14 s PRO 80 Ca -0.03 0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 2k14 s PRO 80 Cb -0.03 -4.74 0.26 0.00 0.04 0.00 0.00 34.50 30.03 2k14 s PRO 80 CO 0.01 -3.01 1.64 1.25 0.04 0.00 0.00 177.00 176.93 2k14 h HIS 81 N 12.87 0.70 -7.02 0.56 2.76 -1.79 -3.47 115.15 119.75 2k14 h HIS 81 Ca -0.07 -0.17 -0.46 0.00 -2.20 0.00 0.00 60.37 57.46 2k14 h HIS 81 Cb 1.08 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.84 2k14 h HIS 81 CO 1.14 0.85 -0.77 -1.91 -1.30 0.00 0.00 177.93 175.94 2k14 n GLU 82 N -4.08 -0.47 -1.18 5.26 4.07 -0.43 -4.94 120.64 118.86 2k14 n GLU 82 Ca -0.01 -0.07 -0.31 0.00 -0.06 0.00 0.00 57.16 56.72 2k14 n GLU 82 Cb 0.46 -1.77 0.12 0.00 -0.06 0.00 0.00 31.44 30.19 2k14 n GLU 82 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2k14 s PRO 83 N -6.84 1.76 0.00 5.31 0.04 -1.26 -5.05 135.00 128.97 2k14 s PRO 83 Ca 0.33 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2k14 s PRO 83 Cb -0.18 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k14 s PRO 83 CO 0.75 -1.96 0.43 0.44 0.04 0.00 0.00 177.00 176.69