#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 0.18 -0.27 1.61 4.64 -2.06 -1.23 113.55 116.42 2k14 h SER 2 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k14 h SER 2 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2k14 h SER 2 CO 0.00 0.11 0.16 1.12 -0.87 0.00 0.00 176.83 177.36 2k14 h HIS 3 N 0.20 0.37 -0.13 4.77 -0.00 -2.05 -0.60 115.15 117.72 2k14 h HIS 3 Ca 0.20 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.40 2k14 h HIS 3 Cb 0.51 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2k14 h HIS 3 CO -0.00 0.26 -0.63 0.52 -0.00 0.00 0.00 177.93 178.07 2k14 h MET 4 N 0.39 0.47 -0.38 5.12 0.00 -1.65 -1.25 114.93 117.63 2k14 h MET 4 Ca 0.10 -0.34 -0.12 0.00 0.00 0.00 0.00 59.70 59.35 2k14 h MET 4 Cb -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 31.60 31.64 2k14 h MET 4 CO -0.02 0.96 -0.21 -0.07 0.00 0.00 0.00 176.91 177.57 2k14 h LEU 5 N 0.35 0.85 -0.69 1.22 3.38 -1.35 -0.40 115.31 118.67 2k14 h LEU 5 Ca -0.01 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 2k14 h LEU 5 Cb 1.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2k14 h LEU 5 CO 0.11 1.08 0.10 -0.33 0.09 0.00 0.00 178.44 179.49 2k14 h GLU 6 N 0.62 1.11 -0.68 1.13 4.39 -1.15 -0.76 114.58 119.24 2k14 h GLU 6 Ca 0.08 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2k14 h GLU 6 Cb 0.77 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2k14 h GLU 6 CO 0.06 1.02 0.38 1.03 -1.16 0.00 0.00 179.01 180.33 2k14 h SER 7 N 1.04 0.84 -0.69 1.42 0.87 -1.14 -0.89 113.55 115.00 2k14 h SER 7 Ca 0.20 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2k14 h SER 7 Cb 0.45 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 2k14 h SER 7 CO 0.01 0.69 0.20 0.28 -0.53 0.00 0.00 176.83 177.48 2k14 h SER 8 N 0.93 1.04 -0.62 6.23 0.02 -0.84 -0.67 113.55 119.63 2k14 h SER 8 Ca 0.24 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2k14 h SER 8 Cb 0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2k14 h SER 8 CO -0.04 0.98 0.06 0.00 -1.14 0.00 0.00 176.83 176.70 2k14 h ALA 9 N 1.15 0.83 -0.50 3.77 0.00 -0.95 -0.83 119.26 122.72 2k14 h ALA 9 Ca 0.23 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2k14 h ALA 9 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k14 h ALA 9 CO -0.00 0.62 0.03 1.49 0.00 0.00 0.00 179.25 181.39 2k14 h GLU 10 N 0.96 0.87 -0.29 0.00 4.57 -0.89 -0.68 114.58 119.12 2k14 h GLU 10 Ca 0.18 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 2k14 h GLU 10 Cb 0.48 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2k14 h GLU 10 CO 0.02 0.89 -0.13 0.93 -1.18 0.00 0.00 179.01 179.53 2k14 h GLU 11 N 0.74 0.50 -0.55 1.92 4.39 -1.08 -0.20 114.58 120.30 2k14 h GLU 11 Ca 0.15 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2k14 h GLU 11 Cb 0.47 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2k14 h GLU 11 CO 0.02 0.63 -0.02 0.77 -1.16 0.00 0.00 179.01 179.24 2k14 h SER 12 N 0.46 0.94 -0.17 1.42 0.02 -0.94 -2.13 113.55 113.16 2k14 h SER 12 Ca 0.08 -0.26 -0.14 0.00 -0.84 0.00 0.00 61.79 60.63 2k14 h SER 12 Cb 0.50 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2k14 h SER 12 CO 0.03 1.01 -0.37 0.25 -1.14 0.00 0.00 176.83 176.61 2k14 h LEU 13 N 0.88 0.73 -1.40 5.07 5.85 -0.77 -1.03 115.31 124.64 2k14 h LEU 13 Ca 0.16 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.60 2k14 h LEU 13 Cb 0.55 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2k14 h LEU 13 CO 0.03 1.03 0.44 0.00 -0.34 0.00 0.00 178.44 179.60 2k14 h ALA 14 N 1.01 1.66 -0.19 1.25 0.00 -0.94 0.15 119.26 122.21 2k14 h ALA 14 Ca 0.05 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 2k14 h ALA 14 Cb 0.90 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k14 h ALA 14 CO 0.08 0.26 -0.72 -0.92 0.00 0.00 0.00 179.25 177.95 2k14 h TYR 15 N 0.77 1.08 -0.90 0.00 3.20 -0.99 -0.70 116.97 119.43 2k14 h TYR 15 Ca 0.27 -0.46 0.01 0.00 3.14 0.00 0.00 58.73 61.70 2k14 h TYR 15 Cb 0.13 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 2k14 h TYR 15 CO -0.00 1.29 0.60 0.00 -1.64 0.00 0.00 178.16 178.41 2k14 h ARG 16 N 0.57 1.19 -0.38 1.82 3.08 -0.87 -1.50 114.38 118.29 2k14 h ARG 16 Ca -0.04 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 2k14 h ARG 16 Cb 1.34 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 2k14 h ARG 16 CO 0.15 0.79 -0.08 1.49 -1.07 0.00 0.00 179.97 181.25 2k14 h GLU 17 N 1.23 0.73 0.00 0.04 4.81 -0.91 -3.11 114.58 117.37 2k14 h GLU 17 Ca 0.33 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2k14 h GLU 17 Cb -0.14 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 2k14 h GLU 17 CO -0.07 0.87 -0.07 0.22 -0.73 0.00 0.00 179.01 179.23 2k14 h ASP 18 N 0.53 0.00 0.04 1.04 3.58 -0.72 -0.93 116.42 119.96 2k14 h ASP 18 Ca 0.10 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 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 0.07 -0.06 -0.78 -2.88 0.00 0.00 179.24 175.63 2k14 h ASP 19 N 0.00 0.06 0.48 2.28 3.58 -1.21 -2.37 116.42 119.25 2k14 h ASP 19 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k14 h ASP 19 Cb 0.18 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k14 h ASP 19 CO 0.01 0.13 0.00 0.18 -2.88 0.00 0.00 179.24 176.68 2k14 n LEU 20 N -4.43 0.64 0.00 2.28 4.77 -0.35 -2.54 117.00 117.37 2k14 n LEU 20 Ca -0.02 0.70 0.04 0.00 -0.03 0.00 0.00 56.01 56.70 2k14 n LEU 20 Cb 0.16 -0.67 0.22 0.00 -2.33 0.00 0.00 43.42 40.81 2k14 n LEU 20 CO 0.35 -0.70 0.57 -1.14 -1.33 0.00 0.00 177.39 175.15 2k14 n ARG 21 N -2.25 0.13 -0.50 3.23 0.63 -0.89 -1.44 116.66 115.57 2k14 n ARG 21 Ca 0.01 0.19 0.07 0.00 -0.92 0.00 0.00 57.85 57.20 2k14 n ARG 21 Cb 0.16 -1.50 0.26 0.00 0.45 0.00 0.00 32.46 31.83 2k14 n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k14 n GLY 22 N -0.54 4.07 3.25 5.14 0.00 -1.05 -4.53 105.19 111.54 2k14 n GLY 22 Ca 0.04 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.87 1.07 0.13 1.61 0.52 -0.52 -5.07 118.95 113.82 2k14 s ARG 23 Ca 0.43 -1.41 -0.06 0.00 -0.52 0.00 0.00 55.73 54.17 2k14 s ARG 23 Cb 0.35 -0.72 -0.06 0.00 0.52 0.00 0.00 34.95 35.04 2k14 s ARG 23 CO 0.08 0.10 0.38 -1.17 0.02 0.00 0.00 175.30 174.72 2k14 s LEU 24 N -3.02 4.28 0.00 2.53 2.96 -1.26 -2.20 118.68 121.97 2k14 s LEU 24 Ca 0.15 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2k14 s LEU 24 Cb 0.01 -3.25 -0.00 0.00 0.50 0.00 0.00 46.19 43.44 2k14 s LEU 24 CO 0.02 0.07 0.12 0.61 -1.32 0.00 0.00 176.35 175.85 2k14 n GLY 25 N 0.23 3.25 2.90 7.98 0.00 0.10 -1.45 105.19 118.20 2k14 n GLY 25 Ca -0.03 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.34 0.11 0.04 1.61 2.47 0.69 -1.11 119.74 121.22 2k14 s LYS 26 Ca 0.11 0.59 -0.31 0.00 -1.56 0.00 0.00 55.97 54.80 2k14 s LYS 26 Cb 0.00 -0.33 -0.06 0.00 -1.46 0.00 0.00 37.83 35.99 2k14 s LYS 26 CO 0.08 -0.36 1.27 0.08 0.16 0.00 0.00 175.35 176.57 2k14 s VAL 27 N 2.36 3.88 -0.07 4.02 1.01 -0.93 -1.32 120.40 129.35 2k14 s VAL 27 Ca 0.03 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.34 2k14 s VAL 27 Cb -0.13 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2k14 s VAL 27 CO -0.08 0.07 0.50 2.30 0.00 0.00 0.00 175.10 177.89 2k14 n ILE 28 N 4.15 0.00 -3.69 2.22 -0.00 -0.17 -0.85 119.36 121.03 2k14 n ILE 28 Ca 0.10 -0.50 -0.11 0.00 -0.00 0.00 0.00 62.75 62.25 2k14 n ILE 28 Cb 0.45 1.01 -0.11 0.00 -0.00 0.00 0.00 39.64 40.99 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 -0.09 -0.18 0.33 7.28 2.01 -1.17 -4.88 115.64 118.93 2k14 s THR 29 Ca 0.01 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 2k14 s THR 29 Cb 0.00 -0.56 -0.13 0.00 0.01 0.00 0.00 72.50 71.83 2k14 s THR 29 CO 0.01 0.06 1.27 0.00 -0.69 0.00 0.00 174.62 175.27 2k14 n ALA 30 N 4.58 1.14 -3.97 7.40 0.00 -1.26 -1.25 120.51 127.15 2k14 n ALA 30 Ca -0.19 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 2k14 n ALA 30 Cb 0.53 -2.23 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 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 -0.99 2.36 0.97 0.00 1.01 -0.08 -3.58 120.40 120.08 2k14 s VAL 31 Ca 0.57 -2.80 -0.14 0.00 0.00 0.00 0.00 61.98 59.61 2k14 s VAL 31 Cb -0.59 -2.69 0.17 0.00 0.00 0.00 0.00 36.38 33.27 2k14 s VAL 31 CO 0.61 -0.71 1.17 -2.16 0.00 0.00 0.00 175.10 174.01 2k14 s PRO 32 N 0.33 0.68 0.65 2.72 0.04 -1.26 -0.59 135.00 137.56 2k14 s PRO 32 Ca 0.14 0.09 0.34 0.00 0.04 0.00 0.00 61.00 61.61 2k14 s PRO 32 Cb -0.22 -1.80 1.88 0.00 0.04 0.00 0.00 34.50 34.39 2k14 s PRO 32 CO -0.04 -2.47 2.10 -0.39 0.04 0.00 0.00 177.00 176.24 2k14 h VAL 33 N -1.69 0.12 0.00 -0.36 -1.51 -1.82 -2.56 116.25 108.43 2k14 h VAL 33 Ca -0.48 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 64.92 2k14 h VAL 33 Cb 1.31 0.81 -0.14 0.00 -2.13 0.00 0.00 31.29 31.13 2k14 h VAL 33 CO 0.53 0.00 -0.63 -0.90 -1.23 0.00 0.00 177.57 175.34 2k14 n ASP 34 N -3.19 0.28 -0.62 4.19 5.75 -1.26 -4.37 116.55 117.32 2k14 n ASP 34 Ca -0.01 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 2k14 n ASP 34 Cb 0.29 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.17 4.79 3.17 6.12 0.00 -0.97 -5.10 105.19 113.38 2k14 n GLY 35 Ca 0.00 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.29 1.37 0.00 1.61 0.40 -1.26 -4.26 117.98 114.56 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 1.86 4.59 3.06 4.36 0.00 -0.12 -4.62 105.19 114.31 2k14 n GLY 37 Ca -0.18 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 4.83 0.41 0.04 1.61 2.02 -0.38 -0.83 118.70 126.40 2k14 s GLU 38 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.58 2k14 s GLU 38 Cb 0.00 0.17 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 2k14 s GLU 38 CO 0.00 -0.09 -0.05 0.54 0.02 0.00 0.00 175.26 175.68 2k14 s VAL 39 N -1.31 0.37 0.03 2.63 0.11 -0.24 -1.00 120.40 121.00 2k14 s VAL 39 Ca -0.14 -1.20 0.05 0.00 -2.93 0.00 0.00 61.98 57.75 2k14 s VAL 39 Cb -0.08 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2k14 s VAL 39 CO 0.01 -0.55 -0.14 0.54 -3.33 0.00 0.00 175.10 171.63 2k14 s VAL 40 N -1.96 1.09 0.47 2.04 0.11 -0.43 -0.76 120.40 120.96 2k14 s VAL 40 Ca -0.08 -0.96 -0.22 0.00 -2.93 0.00 0.00 61.98 57.80 2k14 s VAL 40 Cb -0.06 -0.98 -0.07 0.00 -1.53 0.00 0.00 36.38 33.73 2k14 s VAL 40 CO -0.02 0.02 1.11 -0.63 -3.33 0.00 0.00 175.10 172.26 2k14 s ILE 41 N -0.81 3.35 0.41 7.04 -1.09 -1.26 -0.22 121.20 128.62 2k14 s ILE 41 Ca 0.02 0.94 0.19 0.00 -2.23 0.00 0.00 60.65 59.57 2k14 s ILE 41 Cb -0.08 -3.44 0.19 0.00 -1.58 0.00 0.00 42.46 37.55 2k14 s ILE 41 CO 0.01 -0.08 1.53 -0.33 -1.23 0.00 0.00 174.94 174.84 2k14 h GLU 42 N 1.83 0.00 -2.00 2.79 4.39 -1.55 -2.70 114.58 117.34 2k14 h GLU 42 Ca -0.49 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 2k14 h GLU 42 Cb 1.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2k14 h GLU 42 CO 0.60 0.00 -0.01 0.41 -1.16 0.00 0.00 179.01 178.85 2k14 n GLY 43 N -1.27 2.30 0.55 -3.84 0.00 -1.26 -4.78 105.19 96.88 2k14 n GLY 43 Ca -0.01 -0.02 0.33 0.00 0.00 0.00 0.00 46.02 46.32 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 1.13 0.10 0.00 -0.61 -0.00 -1.83 0.78 117.51 117.09 2k14 h ILE 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 2k14 h ILE 44 Cb 0.90 0.15 0.00 0.00 -0.00 0.00 0.00 36.82 37.87 2k14 h ILE 44 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.77 2k14 n GLY 45 N -1.73 -1.43 0.00 0.16 0.00 -1.26 -4.35 105.19 96.57 2k14 n GLY 45 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 1.03 0.16 3.64 -0.02 0.00 0.13 -5.11 105.19 105.01 2k14 n GLY 46 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 1.66 -0.06 2.61 -4.23 -0.37 -5.10 115.64 110.15 2k14 s THR 47 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2k14 s THR 47 Cb 0.00 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.30 2k14 s THR 47 CO 0.00 0.00 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.33 2k14 s ILE 48 N -3.12 1.13 0.57 2.99 1.01 -1.26 -4.90 121.20 117.62 2k14 s ILE 48 Ca 0.71 -0.48 -0.18 0.00 0.00 0.00 0.00 60.65 60.70 2k14 s ILE 48 Cb -0.09 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 2k14 s ILE 48 CO 0.56 0.35 1.10 -0.94 0.00 0.00 0.00 174.94 176.01 2k14 s SER 49 N 0.65 5.67 0.09 3.58 1.04 -1.26 -4.51 113.70 118.96 2k14 s SER 49 Ca -0.14 2.06 -0.04 0.00 0.48 0.00 0.00 55.95 58.31 2k14 s SER 49 Cb -0.16 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.37 2k14 s SER 49 CO 0.04 -1.25 0.08 -0.54 0.98 0.00 0.00 173.24 172.55 2k14 s LYS 50 N -3.56 0.79 0.64 4.02 -0.14 0.06 -4.99 119.74 116.56 2k14 s LYS 50 Ca 0.70 -1.19 -0.18 0.00 -1.36 0.00 0.00 55.97 53.94 2k14 s LYS 50 Cb -0.21 0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 36.20 2k14 s LYS 50 CO 0.30 -0.21 1.21 -1.12 -0.76 0.00 0.00 175.35 174.77 2k14 s SER 51 N -2.93 4.88 -0.01 2.83 0.01 -1.06 -1.08 113.70 116.34 2k14 s SER 51 Ca 0.11 2.39 -0.06 0.00 1.31 0.00 0.00 55.95 59.69 2k14 s SER 51 Cb 0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k14 s SER 51 CO -0.07 -1.80 0.12 0.00 0.41 0.00 0.00 173.24 171.89 2k14 s ALA 52 N -1.71 -0.27 0.15 1.44 0.00 -0.01 -1.07 121.76 120.28 2k14 s ALA 52 Ca 0.77 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.70 2k14 s ALA 52 Cb -0.30 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2k14 s ALA 52 CO 0.37 -0.17 -0.13 0.14 0.00 0.00 0.00 175.76 175.97 2k14 s VAL 53 N -1.11 1.38 -0.08 0.00 -7.23 0.10 -0.95 120.40 112.51 2k14 s VAL 53 Ca -0.12 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 2k14 s VAL 53 Cb -0.07 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2k14 s VAL 53 CO 0.01 -0.54 1.07 -0.55 -0.31 0.00 0.00 175.10 174.78 2k14 s SER 54 N -2.81 7.19 0.20 4.85 0.15 -1.26 -1.09 113.70 120.94 2k14 s SER 54 Ca 0.14 1.64 0.26 0.00 0.70 0.00 0.00 55.95 58.69 2k14 s SER 54 Cb -0.02 -2.56 0.84 0.00 -1.71 0.00 0.00 66.02 62.57 2k14 s SER 54 CO 0.03 -0.47 1.79 0.33 1.20 0.00 0.00 173.24 176.11 2k14 n PHE 55 N 4.94 0.88 -0.83 3.44 7.35 -0.06 -4.18 117.46 129.00 2k14 n PHE 55 Ca 0.09 0.26 0.05 0.00 -0.76 0.00 0.00 57.45 57.09 2k14 n PHE 55 Cb 0.48 -0.92 0.07 0.00 0.35 0.00 0.00 39.48 39.47 2k14 n PHE 55 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2k14 n ASP 56 N -2.22 1.84 -4.09 -2.13 2.03 -1.26 -5.01 116.55 105.72 2k14 n ASP 56 Ca 0.06 -2.49 -0.30 0.00 0.52 0.00 0.00 54.79 52.57 2k14 n ASP 56 Cb 0.42 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.90 -1.38 -4.80 1.67 4.13 -1.26 -5.00 115.26 107.72 2k14 n ASN 57 Ca 0.08 -1.03 -0.28 0.00 1.68 0.00 0.00 54.58 55.04 2k14 n ASN 57 Cb 0.51 -2.83 -0.06 0.00 -1.54 0.00 0.00 39.78 35.87 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 -6.77 2.93 -0.30 3.52 -1.52 -1.26 -4.70 119.66 111.56 2k14 s GLN 58 Ca 0.29 -0.79 -0.21 0.00 -1.95 0.00 0.00 55.36 52.70 2k14 s GLN 58 Cb -0.16 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 29.93 2k14 s GLN 58 CO 0.91 0.51 0.67 -1.14 -0.25 0.00 0.00 175.29 176.00 2k14 s GLN 59 N -2.88 3.93 -0.54 2.91 -0.44 -1.26 -3.00 119.66 118.37 2k14 s GLN 59 Ca 0.31 0.39 0.02 0.00 -2.50 0.00 0.00 55.36 53.57 2k14 s GLN 59 Cb -0.11 -3.72 0.14 0.00 -1.64 0.00 0.00 33.01 27.68 2k14 s GLN 59 CO 0.23 -0.59 0.30 0.42 0.50 0.00 0.00 175.29 176.16 2k14 s ILE 60 N 2.69 2.95 1.01 -2.34 1.01 0.24 -4.98 121.20 121.78 2k14 s ILE 60 Ca 0.27 -3.12 -0.12 0.00 0.00 0.00 0.00 60.65 57.68 2k14 s ILE 60 Cb -0.15 -3.01 0.20 0.00 0.01 0.00 0.00 42.46 39.51 2k14 s ILE 60 CO 0.12 -0.81 1.08 -0.44 0.00 0.00 0.00 174.94 174.89 2k14 s SER 61 N 0.14 2.31 0.29 3.58 0.01 -1.26 -0.90 113.70 117.88 2k14 s SER 61 Ca 0.16 1.70 -0.28 0.00 1.31 0.00 0.00 55.95 58.84 2k14 s SER 61 Cb -0.24 -2.33 -0.14 0.00 0.21 0.00 0.00 66.02 63.52 2k14 s SER 61 CO -0.02 -3.40 1.06 0.00 0.41 0.00 0.00 173.24 171.30 2k14 n TYR 62 N -4.40 1.45 -2.24 2.43 4.19 -1.26 -3.88 117.16 113.45 2k14 n TYR 62 Ca 0.07 0.68 -0.02 0.00 3.31 0.00 0.00 57.90 61.93 2k14 n TYR 62 Cb 0.54 -2.28 0.00 0.00 0.49 0.00 0.00 39.34 38.09 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 1.18 0.45 3.34 2.98 0.00 -0.03 -5.02 105.19 108.09 2k14 n GLY 63 Ca 0.09 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.43 1.92 -0.18 2.61 -1.32 -1.25 -4.97 115.64 110.02 2k14 s THR 64 Ca 0.02 -1.88 -0.18 0.00 -1.21 0.00 0.00 61.69 58.44 2k14 s THR 64 Cb -0.01 -1.86 -0.03 0.00 -1.51 0.00 0.00 72.50 69.09 2k14 s THR 64 CO 0.03 -0.22 0.51 -0.89 -2.21 0.00 0.00 174.62 171.83 2k14 s THR 65 N -1.80 5.13 0.04 5.08 2.01 -1.26 -2.18 115.64 122.64 2k14 s THR 65 Ca 0.15 0.96 0.05 0.00 0.31 0.00 0.00 61.69 63.15 2k14 s THR 65 Cb -0.07 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2k14 s THR 65 CO 0.07 0.21 -0.13 0.68 -0.69 0.00 0.00 174.62 174.76 2k14 s VAL 66 N 1.39 1.04 -0.16 3.82 -7.23 -0.26 -1.92 120.40 117.07 2k14 s VAL 66 Ca 0.25 -0.97 -0.17 0.00 -1.81 0.00 0.00 61.98 59.28 2k14 s VAL 66 Cb -0.15 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2k14 s VAL 66 CO 0.10 -0.01 0.42 -0.22 -0.31 0.00 0.00 175.10 175.08 2k14 s LEU 67 N -1.11 4.21 -0.13 1.32 2.96 0.06 0.02 118.68 126.01 2k14 s LEU 67 Ca 0.01 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.26 2k14 s LEU 67 Cb -0.08 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 2k14 s LEU 67 CO 0.01 -0.03 1.17 -0.69 -1.32 0.00 0.00 176.35 175.49 2k14 s VAL 68 N 0.96 4.41 -0.01 1.68 1.01 -0.93 -1.77 120.40 125.74 2k14 s VAL 68 Ca 0.22 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.93 2k14 s VAL 68 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2k14 s VAL 68 CO 0.08 -0.08 0.05 1.33 0.00 0.00 0.00 175.10 176.49 2k14 n VAL 69 N 4.98 0.02 -3.83 2.92 0.24 0.11 -4.39 118.33 118.38 2k14 n VAL 69 Ca 0.12 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.34 62.26 2k14 n VAL 69 Cb 0.46 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.07 2k14 n VAL 69 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k14 s ASP 70 N -2.40 -0.04 -0.11 -1.34 -1.08 -0.96 -5.02 116.67 105.72 2k14 s ASP 70 Ca -0.01 -0.64 -0.09 0.00 -0.52 0.00 0.00 52.55 51.29 2k14 s ASP 70 Cb 0.02 0.44 0.03 0.00 -1.46 0.00 0.00 42.92 41.95 2k14 s ASP 70 CO 0.11 -0.86 0.30 -0.63 0.52 0.00 0.00 175.17 174.60 2k14 s ILE 71 N -3.89 -0.01 -0.35 4.11 1.01 -1.26 -0.20 121.20 120.61 2k14 s ILE 71 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.79 2k14 s ILE 71 Cb 0.03 -0.43 0.14 0.00 0.01 0.00 0.00 42.46 42.21 2k14 s ILE 71 CO -0.06 0.01 0.28 0.21 0.00 0.00 0.00 174.94 175.38 2k14 s ASN 72 N 0.47 2.18 -1.41 3.58 3.84 -0.19 -4.98 114.94 118.42 2k14 s ASN 72 Ca -0.03 -1.71 -0.13 0.00 0.21 0.00 0.00 52.86 51.21 2k14 s ASN 72 Cb -0.04 0.08 0.02 0.00 -0.55 0.00 0.00 41.25 40.76 2k14 s ASN 72 CO -0.02 -0.31 0.29 -3.20 -2.79 0.00 0.00 177.10 171.06 2k14 n ASN 73 N 4.37 -1.05 0.00 -4.21 5.15 -1.26 -1.09 115.26 117.17 2k14 n ASN 73 Ca 0.08 -1.26 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 2k14 n ASN 73 Cb 0.42 -1.78 0.00 0.00 -0.53 0.00 0.00 39.78 37.89 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 -2.35 0.30 3.11 8.20 0.00 -1.26 -5.04 105.19 108.15 2k14 n GLY 74 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.07 2.91 0.26 1.61 1.01 -0.25 -2.55 120.40 121.31 2k14 s VAL 75 Ca 0.00 -1.92 -0.20 0.00 0.00 0.00 0.00 61.98 59.86 2k14 s VAL 75 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 2k14 s VAL 75 CO 0.00 -0.47 0.76 -0.76 0.00 0.00 0.00 175.10 174.63 2k14 s LEU 76 N 1.11 4.29 -0.23 3.92 1.02 -0.23 -1.02 118.68 127.54 2k14 s LEU 76 Ca 0.04 1.46 -0.06 0.00 0.02 0.00 0.00 54.13 55.60 2k14 s LEU 76 Cb -0.21 -3.75 -0.02 0.00 0.02 0.00 0.00 46.19 42.23 2k14 s LEU 76 CO -0.04 -0.03 0.02 -0.44 0.02 0.00 0.00 176.35 175.88 2k14 s SER 77 N -1.76 4.78 0.20 2.29 0.01 0.72 -0.72 113.70 119.21 2k14 s SER 77 Ca 0.46 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.49 2k14 s SER 77 Cb -0.16 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 2k14 s SER 77 CO 0.21 -0.02 -0.07 0.68 0.41 0.00 0.00 173.24 174.45 2k14 s VAL 78 N 1.49 1.24 -0.04 3.43 -7.23 -0.25 -0.71 120.40 118.34 2k14 s VAL 78 Ca 0.06 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2k14 s VAL 78 Cb -0.15 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2k14 s VAL 78 CO 0.01 -0.52 0.12 0.28 -0.31 0.00 0.00 175.10 174.68 2k14 s THR 79 N -3.28 0.01 -0.89 5.32 -1.32 -0.73 -0.88 115.64 113.86 2k14 s THR 79 Ca 0.23 -0.06 -0.25 0.00 -1.21 0.00 0.00 61.69 60.41 2k14 s THR 79 Cb 0.03 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 2k14 s THR 79 CO 0.06 -0.03 1.84 -2.16 -2.21 0.00 0.00 174.62 172.11 2k14 s PRO 80 N -0.05 2.75 0.22 7.08 0.04 -1.26 -0.76 135.00 143.01 2k14 s PRO 80 Ca -0.01 -0.34 -0.06 0.00 0.04 0.00 0.00 61.00 60.63 2k14 s PRO 80 Cb -0.01 -5.03 0.19 0.00 0.04 0.00 0.00 34.50 29.68 2k14 s PRO 80 CO 0.00 -3.09 1.70 1.25 0.04 0.00 0.00 177.00 176.90 2k14 h HIS 81 N 11.36 1.04 -6.92 0.56 2.76 -1.82 -3.48 115.15 118.64 2k14 h HIS 81 Ca 0.07 -0.16 -0.47 0.00 -2.20 0.00 0.00 60.37 57.61 2k14 h HIS 81 Cb 1.02 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.64 2k14 h HIS 81 CO 1.21 0.92 -0.77 0.39 -1.30 0.00 0.00 177.93 178.38 2k14 n GLU 82 N -4.20 -0.59 -1.36 5.26 1.02 -0.81 -4.94 120.64 115.02 2k14 n GLU 82 Ca 0.03 -0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2k14 n GLU 82 Cb 0.32 -2.03 0.08 0.00 -0.02 0.00 0.00 31.44 29.79 2k14 n GLU 82 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2k14 s PRO 83 N -6.74 2.31 0.00 3.49 0.04 -1.26 -5.08 135.00 127.76 2k14 s PRO 83 Ca 0.25 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2k14 s PRO 83 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2k14 s PRO 83 CO 0.76 -1.61 0.04 -0.89 0.04 0.00 0.00 177.00 175.34