#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 0.94 -0.69 1.61 4.64 -2.05 -1.65 113.55 116.35 2k14 h SER 2 Ca 0.00 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2k14 h SER 2 Cb 0.00 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 2k14 h SER 2 CO 0.00 0.55 0.36 0.45 -0.87 0.00 0.00 176.83 177.32 2k14 h HIS 3 N 1.04 0.99 -0.11 4.77 -0.00 -2.05 -0.73 115.15 119.05 2k14 h HIS 3 Ca 0.46 -0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.61 2k14 h HIS 3 Cb 0.36 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2k14 h HIS 3 CO -0.00 0.71 -0.71 0.52 -0.00 0.00 0.00 177.93 178.44 2k14 h MET 4 N 1.00 0.52 -0.42 2.45 0.00 -1.76 -0.90 114.93 115.81 2k14 h MET 4 Ca 0.25 -0.41 -0.06 0.00 0.00 0.00 0.00 59.70 59.48 2k14 h MET 4 Cb 0.07 0.08 -0.02 0.00 0.00 0.00 0.00 31.60 31.74 2k14 h MET 4 CO -0.04 1.03 0.02 -0.07 0.00 0.00 0.00 176.91 177.86 2k14 h LEU 5 N 0.36 0.70 -0.84 1.22 3.38 -1.10 -0.32 115.31 118.72 2k14 h LEU 5 Ca -0.03 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2k14 h LEU 5 Cb 1.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2k14 h LEU 5 CO 0.13 0.82 -0.00 -0.33 0.09 0.00 0.00 178.44 179.15 2k14 h GLU 6 N 0.56 0.87 -0.64 1.13 4.39 -1.13 -0.89 114.58 118.88 2k14 h GLU 6 Ca 0.12 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2k14 h GLU 6 Cb 0.45 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2k14 h GLU 6 CO 0.02 0.87 0.27 0.77 -1.16 0.00 0.00 179.01 179.77 2k14 h SER 7 N 0.81 0.87 -0.59 1.42 0.02 -1.05 -1.06 113.55 113.97 2k14 h SER 7 Ca 0.15 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2k14 h SER 7 Cb 0.48 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2k14 h SER 7 CO 0.02 0.79 0.13 0.28 -1.14 0.00 0.00 176.83 176.92 2k14 h SER 8 N 0.89 0.93 -0.53 3.07 0.02 -0.79 -0.21 113.55 116.93 2k14 h SER 8 Ca 0.22 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2k14 h SER 8 Cb 0.18 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2k14 h SER 8 CO -0.02 0.91 0.07 0.00 -1.14 0.00 0.00 176.83 176.65 2k14 h ALA 9 N 1.21 0.70 -0.60 3.77 0.00 -1.00 -0.86 119.26 122.47 2k14 h ALA 9 Ca 0.20 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2k14 h ALA 9 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k14 h ALA 9 CO 0.00 0.45 0.12 1.49 0.00 0.00 0.00 179.25 181.32 2k14 h GLU 10 N 0.76 0.98 -0.37 0.00 4.81 -0.93 -1.09 114.58 118.74 2k14 h GLU 10 Ca 0.16 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 2k14 h GLU 10 Cb 0.43 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2k14 h GLU 10 CO 0.01 0.91 -0.05 0.93 -0.73 0.00 0.00 179.01 180.08 2k14 h GLU 11 N 0.88 0.61 -0.50 1.92 5.08 -0.98 0.29 114.58 121.88 2k14 h GLU 11 Ca 0.19 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2k14 h GLU 11 Cb 0.39 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2k14 h GLU 11 CO 0.01 0.67 -0.08 0.77 -1.00 0.00 0.00 179.01 179.37 2k14 h SER 12 N 0.57 0.90 -0.50 1.42 0.02 -0.93 -1.06 113.55 113.98 2k14 h SER 12 Ca 0.11 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 2k14 h SER 12 Cb 0.44 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2k14 h SER 12 CO 0.02 1.01 -0.17 0.25 -1.14 0.00 0.00 176.83 176.80 2k14 h LEU 13 N 0.82 1.02 -1.12 5.07 7.12 -0.86 -2.09 115.31 125.28 2k14 h LEU 13 Ca 0.14 -0.37 -0.02 0.00 0.13 0.00 0.00 57.88 57.76 2k14 h LEU 13 Cb 0.60 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.42 2k14 h LEU 13 CO 0.04 1.16 0.33 0.00 -0.13 0.00 0.00 178.44 179.85 2k14 h ALA 14 N 0.91 1.32 -0.67 1.25 0.00 -0.78 0.81 119.26 122.10 2k14 h ALA 14 Ca 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2k14 h ALA 14 Cb 0.74 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2k14 h ALA 14 CO 0.06 0.53 0.17 -0.92 0.00 0.00 0.00 179.25 179.09 2k14 h TYR 15 N 0.95 1.09 -0.57 0.00 3.20 -1.01 -0.12 116.97 120.52 2k14 h TYR 15 Ca 0.24 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2k14 h TYR 15 Cb 0.08 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2k14 h TYR 15 CO 0.01 0.89 0.07 0.00 -1.64 0.00 0.00 178.16 177.49 2k14 h ARG 16 N 1.00 0.95 -0.60 1.82 3.08 -0.90 -3.06 114.38 116.66 2k14 h ARG 16 Ca 0.21 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2k14 h ARG 16 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2k14 h ARG 16 CO -0.00 0.92 0.28 1.49 -1.07 0.00 0.00 179.97 181.59 2k14 h GLU 17 N 0.84 0.85 0.00 0.04 4.81 -0.55 -2.31 114.58 118.26 2k14 h GLU 17 Ca 0.17 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2k14 h GLU 17 Cb 0.44 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2k14 h GLU 17 CO 0.01 0.66 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.50 2k14 h ASP 18 N 0.85 0.00 0.16 1.04 3.32 -0.92 -0.74 116.42 120.14 2k14 h ASP 18 Ca 0.21 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 2k14 h ASP 18 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2k14 h ASP 18 CO -0.03 0.02 -0.19 -0.78 -1.72 0.00 0.00 179.24 176.55 2k14 h ASP 19 N 0.00 0.05 0.50 6.45 3.58 -1.43 -2.69 116.42 122.88 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 0.10 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2k14 h ASP 19 CO 0.00 0.25 0.00 0.18 -2.88 0.00 0.00 179.24 176.79 2k14 n LEU 20 N -4.29 0.48 0.00 2.28 4.77 -0.28 -2.44 117.00 117.52 2k14 n LEU 20 Ca -0.02 0.64 0.04 0.00 -0.03 0.00 0.00 56.01 56.64 2k14 n LEU 20 Cb 0.27 -0.61 0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2k14 n LEU 20 CO 0.37 -0.57 0.59 -1.14 -1.33 0.00 0.00 177.39 175.31 2k14 n ARG 21 N -2.06 0.04 -0.65 3.23 0.63 -1.02 -1.43 116.66 115.41 2k14 n ARG 21 Ca 0.02 0.31 0.08 0.00 -0.92 0.00 0.00 57.85 57.34 2k14 n ARG 21 Cb 0.17 -1.50 0.33 0.00 0.45 0.00 0.00 32.46 31.91 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 -0.70 3.39 3.25 5.14 0.00 -1.02 -4.58 105.19 110.67 2k14 n GLY 22 Ca 0.02 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.61 1.06 0.12 1.61 0.52 -0.52 -5.08 118.95 114.06 2k14 s ARG 23 Ca 0.48 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 54.23 2k14 s ARG 23 Cb 0.36 -0.66 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 2k14 s ARG 23 CO 0.14 0.09 0.31 -1.17 0.02 0.00 0.00 175.30 174.68 2k14 s LEU 24 N -3.11 4.30 0.00 2.53 2.96 -1.26 -2.39 118.68 121.71 2k14 s LEU 24 Ca 0.16 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2k14 s LEU 24 Cb 0.02 -3.14 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 2k14 s LEU 24 CO 0.01 0.09 0.17 0.61 -1.32 0.00 0.00 176.35 175.91 2k14 n GLY 25 N 0.06 3.17 2.83 7.98 0.00 0.10 -1.21 105.19 118.12 2k14 n GLY 25 Ca -0.04 -1.67 -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 -2.55 0.11 0.16 1.61 2.47 0.57 -1.17 119.74 120.93 2k14 s LYS 26 Ca 0.17 0.45 -0.30 0.00 -1.56 0.00 0.00 55.97 54.73 2k14 s LYS 26 Cb 0.00 -0.62 -0.07 0.00 -1.46 0.00 0.00 37.83 35.68 2k14 s LYS 26 CO 0.12 -0.44 1.17 0.08 0.16 0.00 0.00 175.35 176.44 2k14 s VAL 27 N 2.32 3.77 0.00 4.02 1.01 -0.93 -1.29 120.40 129.31 2k14 s VAL 27 Ca 0.04 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.47 2k14 s VAL 27 Cb -0.13 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2k14 s VAL 27 CO -0.09 0.21 0.00 2.30 0.00 0.00 0.00 175.10 177.53 2k14 n ILE 28 N 2.77 0.00 -3.74 2.22 -5.35 -0.19 -0.97 119.36 114.11 2k14 n ILE 28 Ca 0.05 -0.24 -0.16 0.00 -0.27 0.00 0.00 62.75 62.13 2k14 n ILE 28 Cb 0.45 0.78 -0.16 0.00 -1.74 0.00 0.00 39.64 38.97 2k14 n ILE 28 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2k14 s THR 29 N -1.01 -0.08 0.40 7.28 2.01 -1.16 -4.92 115.64 118.16 2k14 s THR 29 Ca 0.00 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.01 2k14 s THR 29 Cb 0.00 -0.14 -0.10 0.00 0.01 0.00 0.00 72.50 72.27 2k14 s THR 29 CO 0.00 0.11 1.29 0.00 -0.69 0.00 0.00 174.62 175.33 2k14 n ALA 30 N 4.52 1.35 -3.96 7.40 0.00 -1.26 -1.30 120.51 127.26 2k14 n ALA 30 Ca -0.21 0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 2k14 n ALA 30 Cb 0.50 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.17 2.54 0.97 0.00 1.01 0.03 -3.56 120.40 120.21 2k14 s VAL 31 Ca 0.59 -2.89 -0.13 0.00 0.00 0.00 0.00 61.98 59.55 2k14 s VAL 31 Cb -0.52 -2.80 0.17 0.00 0.00 0.00 0.00 36.38 33.24 2k14 s VAL 31 CO 0.59 -0.72 1.11 -2.16 0.00 0.00 0.00 175.10 173.92 2k14 s PRO 32 N 0.22 0.66 0.64 2.72 0.04 -1.26 -0.54 135.00 137.48 2k14 s PRO 32 Ca 0.14 0.38 0.34 0.00 0.04 0.00 0.00 61.00 61.90 2k14 s PRO 32 Cb -0.23 -1.78 1.85 0.00 0.04 0.00 0.00 34.50 34.39 2k14 s PRO 32 CO -0.03 -2.54 2.10 -0.39 0.04 0.00 0.00 177.00 176.17 2k14 h VAL 33 N -1.75 0.17 0.00 -0.36 -1.51 -1.78 -2.47 116.25 108.54 2k14 h VAL 33 Ca -0.53 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.86 2k14 h VAL 33 Cb 1.33 0.81 -0.16 0.00 -2.13 0.00 0.00 31.29 31.14 2k14 h VAL 33 CO 0.59 0.00 -0.70 -0.90 -1.23 0.00 0.00 177.57 175.33 2k14 n ASP 34 N -3.27 0.38 -0.12 4.19 5.75 -1.26 -4.38 116.55 117.84 2k14 n ASP 34 Ca -0.01 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 2k14 n ASP 34 Cb 0.29 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.21 4.95 3.17 6.12 0.00 -0.93 -5.10 105.19 113.60 2k14 n GLY 35 Ca 0.02 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.23 1.38 0.00 1.61 0.40 -1.26 -4.26 117.98 114.61 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 1.85 4.81 3.13 4.36 0.00 -0.13 -4.61 105.19 114.60 2k14 n GLY 37 Ca -0.18 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 3.98 0.62 0.06 1.61 2.02 -0.42 -0.89 118.70 125.69 2k14 s GLU 38 Ca 0.00 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.16 2k14 s GLU 38 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.46 2k14 s GLU 38 CO 0.00 -0.16 0.13 0.54 0.02 0.00 0.00 175.26 175.79 2k14 s VAL 39 N -2.73 0.15 0.04 2.63 0.11 -0.31 -1.02 120.40 119.27 2k14 s VAL 39 Ca -0.04 -1.24 0.05 0.00 -2.93 0.00 0.00 61.98 57.83 2k14 s VAL 39 Cb -0.00 -1.23 -0.02 0.00 -1.53 0.00 0.00 36.38 33.60 2k14 s VAL 39 CO -0.05 -0.68 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.19 2k14 s VAL 40 N -3.45 1.24 0.48 2.04 1.01 -0.41 -0.75 120.40 120.56 2k14 s VAL 40 Ca 0.02 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 2k14 s VAL 40 Cb 0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2k14 s VAL 40 CO -0.09 0.06 1.11 -0.63 0.00 0.00 0.00 175.10 175.55 2k14 s ILE 41 N -0.82 3.36 -0.02 2.22 -1.09 -1.26 -0.32 121.20 123.26 2k14 s ILE 41 Ca 0.03 0.94 0.22 0.00 -2.23 0.00 0.00 60.65 59.60 2k14 s ILE 41 Cb -0.08 -3.43 0.22 0.00 -1.58 0.00 0.00 42.46 37.59 2k14 s ILE 41 CO 0.01 -0.09 1.64 -0.33 -1.23 0.00 0.00 174.94 174.94 2k14 h GLU 42 N 1.78 0.00 -2.00 2.79 4.39 -1.47 -3.07 114.58 117.01 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 0.59 0.00 -0.00 0.41 -1.16 0.00 0.00 179.01 178.85 2k14 n GLY 43 N -1.27 2.03 0.48 -3.84 0.00 -1.26 -4.76 105.19 96.56 2k14 n GLY 43 Ca -0.01 -0.01 0.27 0.00 0.00 0.00 0.00 46.02 46.27 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 1.25 0.22 0.00 -0.61 -2.65 -1.89 0.67 117.51 114.50 2k14 h ILE 44 Ca 0.00 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.89 2k14 h ILE 44 Cb 0.77 0.34 0.00 0.00 -2.05 0.00 0.00 36.82 35.88 2k14 h ILE 44 CO 0.00 0.00 0.00 1.23 0.03 0.00 0.00 178.15 179.41 2k14 h GLY 45 N 0.00 0.00 0.00 0.16 0.00 -1.91 -3.37 103.07 97.94 2k14 h GLY 45 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2k14 h GLY 45 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2k14 n GLY 46 N -0.83 0.95 3.67 4.60 0.00 0.10 -5.14 105.19 108.53 2k14 n GLY 46 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2k14 n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k14 n THR 47 N 0.00 0.00 -4.66 2.61 -2.24 -0.43 -5.10 114.28 104.46 2k14 n THR 47 Ca 0.00 -0.63 -0.23 0.00 -2.27 0.00 0.00 64.05 60.91 2k14 n THR 47 Cb 0.00 -1.32 -0.16 0.00 -2.10 0.00 0.00 70.33 66.76 2k14 n THR 47 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2k14 s ILE 48 N -3.28 1.16 0.42 2.28 -1.09 -1.26 -4.91 121.20 114.52 2k14 s ILE 48 Ca 0.73 -0.58 -0.23 0.00 -2.23 0.00 0.00 60.65 58.34 2k14 s ILE 48 Cb -0.06 -1.00 -0.08 0.00 -1.58 0.00 0.00 42.46 39.74 2k14 s ILE 48 CO 0.55 0.34 1.09 -0.94 -1.23 0.00 0.00 174.94 174.75 2k14 s SER 49 N -0.00 6.52 0.07 3.58 1.04 -1.26 -4.29 113.70 119.36 2k14 s SER 49 Ca -0.01 2.14 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 2k14 s SER 49 Cb -0.09 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 2k14 s SER 49 CO 0.01 -0.66 0.05 -0.54 0.98 0.00 0.00 173.24 173.08 2k14 s LYS 50 N -2.60 0.72 0.57 4.02 -0.14 0.07 -5.00 119.74 117.39 2k14 s LYS 50 Ca 0.60 -1.17 -0.19 0.00 -1.36 0.00 0.00 55.97 53.86 2k14 s LYS 50 Cb -0.24 0.25 -0.04 0.00 -1.68 0.00 0.00 37.83 36.12 2k14 s LYS 50 CO 0.30 -0.18 1.14 0.45 -0.76 0.00 0.00 175.35 176.31 2k14 s SER 51 N -2.92 5.50 0.00 2.83 0.15 -0.81 -1.16 113.70 117.30 2k14 s SER 51 Ca 0.08 2.20 -0.02 0.00 0.70 0.00 0.00 55.95 58.91 2k14 s SER 51 Cb 0.07 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2k14 s SER 51 CO -0.09 -1.37 0.04 0.00 1.20 0.00 0.00 173.24 173.02 2k14 s ALA 52 N -1.81 -0.06 0.12 5.45 0.00 -0.07 -0.99 121.76 124.40 2k14 s ALA 52 Ca 0.73 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.48 2k14 s ALA 52 Cb -0.25 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2k14 s ALA 52 CO 0.30 -0.13 -0.14 0.14 0.00 0.00 0.00 175.76 175.93 2k14 s VAL 53 N -1.02 1.35 -0.14 0.00 -7.23 0.05 -0.96 120.40 112.45 2k14 s VAL 53 Ca -0.11 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 2k14 s VAL 53 Cb -0.07 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 2k14 s VAL 53 CO -0.00 -0.39 1.05 -0.55 -0.31 0.00 0.00 175.10 174.90 2k14 s SER 54 N -2.40 7.17 0.06 4.85 0.15 -1.26 -1.10 113.70 121.17 2k14 s SER 54 Ca 0.08 1.53 0.26 0.00 0.70 0.00 0.00 55.95 58.53 2k14 s SER 54 Cb -0.05 -2.55 1.03 0.00 -1.71 0.00 0.00 66.02 62.73 2k14 s SER 54 CO 0.03 -0.54 1.81 0.33 1.20 0.00 0.00 173.24 176.07 2k14 n PHE 55 N 5.47 0.26 -1.31 3.44 7.35 -0.13 -4.08 117.46 128.46 2k14 n PHE 55 Ca 0.10 0.08 0.06 0.00 -0.76 0.00 0.00 57.45 56.94 2k14 n PHE 55 Cb 0.47 -0.63 0.09 0.00 0.35 0.00 0.00 39.48 39.76 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 -1.72 1.57 -4.29 -2.13 2.03 -1.26 -5.01 116.55 105.74 2k14 n ASP 56 Ca 0.06 -2.68 -0.37 0.00 0.52 0.00 0.00 54.79 52.32 2k14 n ASP 56 Cb 0.33 -0.34 -0.04 0.00 -0.72 0.00 0.00 41.12 40.35 2k14 n ASP 56 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k14 n ASN 57 N -0.94 -2.62 -4.93 1.67 6.94 -1.26 -4.99 115.26 109.13 2k14 n ASN 57 Ca 0.10 -1.08 -0.26 0.00 -0.02 0.00 0.00 54.58 53.32 2k14 n ASN 57 Cb 0.64 -2.45 -0.03 0.00 -2.36 0.00 0.00 39.78 35.59 2k14 n ASN 57 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2k14 s GLN 58 N -7.01 3.51 -1.07 -3.83 -1.52 -1.26 -4.63 119.66 103.85 2k14 s GLN 58 Ca 0.70 -0.36 -0.12 0.00 -1.95 0.00 0.00 55.36 53.63 2k14 s GLN 58 Cb -0.39 -2.78 0.23 0.00 -0.22 0.00 0.00 33.01 29.85 2k14 s GLN 58 CO 0.95 0.32 1.14 -1.14 -0.25 0.00 0.00 175.29 176.32 2k14 s GLN 59 N -3.67 4.02 -0.81 2.91 0.74 -1.26 -2.80 119.66 118.79 2k14 s GLN 59 Ca 0.39 -2.79 -0.26 0.00 0.05 0.00 0.00 55.36 52.75 2k14 s GLN 59 Cb -0.10 -4.70 0.04 0.00 1.10 0.00 0.00 33.01 29.34 2k14 s GLN 59 CO 0.31 -1.44 1.32 0.42 -0.55 0.00 0.00 175.29 175.35 2k14 s ILE 60 N 0.10 3.77 1.00 -2.34 1.01 0.30 -4.90 121.20 120.15 2k14 s ILE 60 Ca 0.32 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.96 2k14 s ILE 60 Cb -0.08 -4.95 0.19 0.00 0.01 0.00 0.00 42.46 37.63 2k14 s ILE 60 CO -0.06 -1.88 1.10 -0.55 0.00 0.00 0.00 174.94 173.55 2k14 s SER 61 N 4.04 2.61 0.40 3.58 0.15 -1.26 -0.79 113.70 122.42 2k14 s SER 61 Ca 0.38 1.13 -0.25 0.00 0.70 0.00 0.00 55.95 57.90 2k14 s SER 61 Cb -0.06 -1.78 -0.11 0.00 -1.71 0.00 0.00 66.02 62.36 2k14 s SER 61 CO 0.09 -3.14 1.09 0.00 1.20 0.00 0.00 173.24 172.48 2k14 n TYR 62 N -4.17 1.48 -2.30 3.44 9.36 -1.26 -3.93 117.16 119.79 2k14 n TYR 62 Ca 0.05 0.56 -0.07 0.00 3.32 0.00 0.00 57.90 61.76 2k14 n TYR 62 Cb 0.58 -2.28 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 2k14 n TYR 62 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k14 n GLY 63 N 1.07 0.15 3.42 2.98 0.00 -0.14 -5.01 105.19 107.66 2k14 n GLY 63 Ca 0.08 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.52 2.32 -0.22 2.61 -1.32 -1.25 -4.96 115.64 110.29 2k14 s THR 64 Ca 0.04 -2.02 -0.17 0.00 -1.21 0.00 0.00 61.69 58.34 2k14 s THR 64 Cb -0.02 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.83 2k14 s THR 64 CO 0.05 -0.12 0.44 -0.89 -2.21 0.00 0.00 174.62 171.89 2k14 s THR 65 N -1.68 5.16 0.04 5.08 2.01 -1.26 -2.18 115.64 122.81 2k14 s THR 65 Ca 0.20 0.76 0.06 0.00 0.31 0.00 0.00 61.69 63.02 2k14 s THR 65 Cb -0.08 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2k14 s THR 65 CO 0.10 0.20 -0.17 0.68 -0.69 0.00 0.00 174.62 174.73 2k14 s VAL 66 N 1.64 1.34 -0.18 3.82 -7.23 -0.32 -1.84 120.40 117.64 2k14 s VAL 66 Ca 0.20 -1.09 -0.16 0.00 -1.81 0.00 0.00 61.98 59.12 2k14 s VAL 66 Cb -0.15 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 2k14 s VAL 66 CO 0.09 0.08 0.37 -0.22 -0.31 0.00 0.00 175.10 175.11 2k14 s LEU 67 N -1.18 4.20 -0.10 1.32 2.96 0.14 0.02 118.68 126.04 2k14 s LEU 67 Ca 0.04 0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 54.21 2k14 s LEU 67 Cb -0.08 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 2k14 s LEU 67 CO 0.02 -0.01 1.20 -0.69 -1.32 0.00 0.00 176.35 175.55 2k14 s VAL 68 N 0.93 4.30 -0.00 1.68 1.01 -1.01 -1.75 120.40 125.57 2k14 s VAL 68 Ca 0.19 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.79 2k14 s VAL 68 Cb -0.14 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2k14 s VAL 68 CO 0.07 -0.05 0.03 1.33 0.00 0.00 0.00 175.10 176.48 2k14 n VAL 69 N 4.88 0.00 -3.80 2.92 0.24 0.14 -4.48 118.33 118.24 2k14 n VAL 69 Ca 0.12 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.29 2k14 n VAL 69 Cb 0.46 0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 33.24 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 -2.15 -0.09 -0.12 -1.34 -1.08 -0.97 -5.02 116.67 105.89 2k14 s ASP 70 Ca -0.00 -0.58 -0.10 0.00 -0.52 0.00 0.00 52.55 51.34 2k14 s ASP 70 Cb 0.01 0.46 0.04 0.00 -1.46 0.00 0.00 42.92 41.97 2k14 s ASP 70 CO 0.05 -0.89 0.32 -0.63 0.52 0.00 0.00 175.17 174.54 2k14 s ILE 71 N -3.88 -0.01 -0.39 4.11 1.01 -1.26 -0.22 121.20 120.56 2k14 s ILE 71 Ca 0.09 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2k14 s ILE 71 Cb 0.02 -0.46 0.16 0.00 0.01 0.00 0.00 42.46 42.19 2k14 s ILE 71 CO -0.06 0.01 0.33 0.21 0.00 0.00 0.00 174.94 175.43 2k14 s ASN 72 N 0.51 1.67 -1.42 3.58 2.47 -0.17 -4.98 114.94 116.60 2k14 s ASN 72 Ca -0.03 -2.48 -0.10 0.00 0.42 0.00 0.00 52.86 50.67 2k14 s ASN 72 Cb -0.04 -0.12 0.01 0.00 -1.45 0.00 0.00 41.25 39.65 2k14 s ASN 72 CO -0.03 -0.22 0.27 -3.20 -3.72 0.00 0.00 177.10 170.21 2k14 n ASN 73 N 3.44 -0.81 0.00 -4.21 5.15 -1.26 -1.26 115.26 116.30 2k14 n ASN 73 Ca 0.21 -1.23 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 2k14 n ASN 73 Cb 0.45 -1.91 0.00 0.00 -0.53 0.00 0.00 39.78 37.78 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 -2.33 0.31 3.11 8.20 0.00 -1.26 -5.04 105.19 108.18 2k14 n GLY 74 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 3.29 0.37 1.61 1.01 -0.39 -1.93 120.40 122.36 2k14 s VAL 75 Ca 0.00 -2.20 -0.23 0.00 0.00 0.00 0.00 61.98 59.55 2k14 s VAL 75 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 2k14 s VAL 75 CO 0.00 -0.71 0.93 -0.76 0.00 0.00 0.00 175.10 174.55 2k14 s LEU 76 N 0.96 4.12 -0.23 3.92 1.02 -0.16 -1.00 118.68 127.31 2k14 s LEU 76 Ca 0.10 1.71 -0.06 0.00 0.02 0.00 0.00 54.13 55.90 2k14 s LEU 76 Cb -0.22 -4.27 -0.02 0.00 0.02 0.00 0.00 46.19 41.70 2k14 s LEU 76 CO -0.04 -0.22 0.02 -0.44 0.02 0.00 0.00 176.35 175.68 2k14 s SER 77 N -1.94 4.76 0.18 2.29 0.01 0.70 -0.77 113.70 118.93 2k14 s SER 77 Ca 0.56 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.59 2k14 s SER 77 Cb -0.13 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 2k14 s SER 77 CO 0.18 -0.01 -0.06 0.68 0.41 0.00 0.00 173.24 174.44 2k14 s VAL 78 N 1.46 1.12 -0.04 3.43 -7.23 -0.26 -0.68 120.40 118.20 2k14 s VAL 78 Ca 0.05 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2k14 s VAL 78 Cb -0.15 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.73 2k14 s VAL 78 CO 0.01 -0.56 0.12 0.28 -0.31 0.00 0.00 175.10 174.64 2k14 s THR 79 N -3.36 0.01 -0.91 5.32 -1.32 -0.72 -0.96 115.64 113.70 2k14 s THR 79 Ca 0.22 -0.06 -0.24 0.00 -1.21 0.00 0.00 61.69 60.40 2k14 s THR 79 Cb 0.04 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 2k14 s THR 79 CO 0.04 -0.03 1.88 -2.16 -2.21 0.00 0.00 174.62 172.14 2k14 s PRO 80 N -0.05 2.68 0.22 7.08 0.04 -1.26 -0.68 135.00 143.03 2k14 s PRO 80 Ca -0.01 -0.36 -0.06 0.00 0.04 0.00 0.00 61.00 60.61 2k14 s PRO 80 Cb -0.01 -5.08 0.21 0.00 0.04 0.00 0.00 34.50 29.65 2k14 s PRO 80 CO 0.00 -3.22 1.72 1.25 0.04 0.00 0.00 177.00 176.79 2k14 h HIS 81 N 11.20 1.04 -6.94 0.56 2.76 -1.80 -3.48 115.15 118.49 2k14 h HIS 81 Ca 0.10 -0.15 -0.48 0.00 -2.20 0.00 0.00 60.37 57.64 2k14 h HIS 81 Cb 1.01 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 29.62 2k14 h HIS 81 CO 1.22 0.90 -0.79 0.39 -1.30 0.00 0.00 177.93 178.35 2k14 n GLU 82 N -4.21 -0.55 -1.33 5.26 1.02 -0.77 -4.94 120.64 115.12 2k14 n GLU 82 Ca 0.04 -0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.83 2k14 n GLU 82 Cb 0.30 -2.05 0.09 0.00 -0.02 0.00 0.00 31.44 29.76 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 -6.82 2.24 0.00 3.49 0.04 -1.26 -5.08 135.00 127.61 2k14 s PRO 83 Ca 0.27 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2k14 s PRO 83 Cb -0.15 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2k14 s PRO 83 CO 0.77 -1.67 0.14 -0.89 0.04 0.00 0.00 177.00 175.39