#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 0.04 -0.39 1.61 0.02 -2.06 -1.15 113.55 111.63 2k14 h SER 2 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2k14 h SER 2 Cb 0.00 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2k14 h SER 2 CO 0.00 0.02 0.26 1.12 -1.14 0.00 0.00 176.83 177.10 2k14 h HIS 3 N 0.05 0.32 -0.12 3.45 -0.00 -2.05 -0.07 115.15 116.73 2k14 h HIS 3 Ca 0.23 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.43 2k14 h HIS 3 Cb 0.85 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.15 2k14 h HIS 3 CO -0.00 0.18 -0.66 0.52 -0.00 0.00 0.00 177.93 177.96 2k14 h MET 4 N 0.32 0.49 -0.36 5.12 0.00 -1.63 -1.23 114.93 117.64 2k14 h MET 4 Ca 0.17 -0.36 -0.15 0.00 0.00 0.00 0.00 59.70 59.36 2k14 h MET 4 Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 31.60 31.92 2k14 h MET 4 CO -0.04 0.98 -0.35 -0.07 0.00 0.00 0.00 176.91 177.44 2k14 h LEU 5 N 0.35 0.92 -0.71 1.22 3.38 -1.41 -0.48 115.31 118.58 2k14 h LEU 5 Ca -0.02 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2k14 h LEU 5 Cb 1.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2k14 h LEU 5 CO 0.12 1.20 0.21 -0.33 0.09 0.00 0.00 178.44 179.72 2k14 h GLU 6 N 0.66 1.11 -0.73 1.13 5.08 -1.07 -0.83 114.58 119.93 2k14 h GLU 6 Ca 0.06 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2k14 h GLU 6 Cb 0.93 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2k14 h GLU 6 CO 0.09 0.96 0.31 0.77 -1.00 0.00 0.00 179.01 180.14 2k14 h SER 7 N 1.05 0.99 -0.63 1.42 0.02 -1.13 -1.03 113.55 114.24 2k14 h SER 7 Ca 0.23 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2k14 h SER 7 Cb 0.32 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2k14 h SER 7 CO -0.00 0.88 0.13 0.28 -1.14 0.00 0.00 176.83 176.98 2k14 h SER 8 N 1.04 1.00 -0.54 3.07 0.02 -0.82 -0.31 113.55 117.01 2k14 h SER 8 Ca 0.25 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2k14 h SER 8 Cb 0.18 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2k14 h SER 8 CO -0.02 0.98 0.03 0.00 -1.14 0.00 0.00 176.83 176.67 2k14 h ALA 9 N 1.14 0.73 -0.60 3.77 0.00 -0.99 -0.75 119.26 122.56 2k14 h ALA 9 Ca 0.20 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2k14 h ALA 9 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k14 h ALA 9 CO 0.01 0.53 0.11 1.49 0.00 0.00 0.00 179.25 181.39 2k14 h GLU 10 N 0.82 0.98 -0.28 0.00 4.81 -0.96 -0.74 114.58 119.22 2k14 h GLU 10 Ca 0.16 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2k14 h GLU 10 Cb 0.50 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2k14 h GLU 10 CO 0.02 0.92 -0.19 0.93 -0.73 0.00 0.00 179.01 179.96 2k14 h GLU 11 N 0.89 0.50 -0.55 1.92 5.08 -1.01 -0.55 114.58 120.86 2k14 h GLU 11 Ca 0.18 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2k14 h GLU 11 Cb 0.40 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2k14 h GLU 11 CO 0.01 0.67 -0.05 0.77 -1.00 0.00 0.00 179.01 179.41 2k14 h SER 12 N 0.45 0.96 -0.48 1.42 0.02 -0.88 -1.42 113.55 113.61 2k14 h SER 12 Ca 0.07 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2k14 h SER 12 Cb 0.59 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2k14 h SER 12 CO 0.04 1.04 0.09 0.25 -1.14 0.00 0.00 176.83 177.11 2k14 h LEU 13 N 0.88 0.75 -1.34 5.07 6.46 -0.87 -1.24 115.31 125.03 2k14 h LEU 13 Ca 0.15 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2k14 h LEU 13 Cb 0.58 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 2k14 h LEU 13 CO 0.04 0.81 0.47 0.00 -0.62 0.00 0.00 178.44 179.14 2k14 h ALA 14 N 0.97 1.59 -0.39 1.25 0.00 -0.94 0.77 119.26 122.52 2k14 h ALA 14 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2k14 h ALA 14 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k14 h ALA 14 CO 0.01 0.33 -0.12 -0.92 0.00 0.00 0.00 179.25 178.55 2k14 h TYR 15 N 0.86 0.87 -0.79 0.00 3.20 -0.98 -0.36 116.97 119.77 2k14 h TYR 15 Ca 0.29 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2k14 h TYR 15 Cb 0.07 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 2k14 h TYR 15 CO -0.00 0.91 0.45 0.00 -1.64 0.00 0.00 178.16 177.89 2k14 h ARG 16 N 0.58 1.08 -0.47 1.82 3.08 -0.60 -2.00 114.38 117.88 2k14 h ARG 16 Ca 0.10 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2k14 h ARG 16 Cb 0.64 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2k14 h ARG 16 CO 0.04 0.78 -0.09 1.49 -1.07 0.00 0.00 179.97 181.12 2k14 h GLU 17 N 1.10 0.89 0.00 0.04 4.81 -0.78 -3.07 114.58 117.56 2k14 h GLU 17 Ca 0.28 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2k14 h GLU 17 Cb -0.01 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2k14 h GLU 17 CO -0.05 0.97 -0.11 0.22 -0.73 0.00 0.00 179.01 179.31 2k14 h ASP 18 N 0.73 0.00 0.04 1.04 3.58 -0.69 -1.29 116.42 119.83 2k14 h ASP 18 Ca 0.12 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2k14 h ASP 18 Cb 0.63 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 2k14 h ASP 18 CO 0.04 0.11 -0.05 -0.78 -2.88 0.00 0.00 179.24 175.68 2k14 h ASP 19 N 0.00 0.04 0.29 2.28 3.58 -1.27 -2.19 116.42 119.14 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 0.27 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k14 h ASP 19 CO 0.01 0.10 0.00 0.18 -2.88 0.00 0.00 179.24 176.65 2k14 n LEU 20 N -4.45 0.60 0.03 2.28 4.77 -0.49 -2.09 117.00 117.65 2k14 n LEU 20 Ca -0.02 0.72 0.04 0.00 -0.03 0.00 0.00 56.01 56.72 2k14 n LEU 20 Cb 0.15 -0.73 0.18 0.00 -2.33 0.00 0.00 43.42 40.69 2k14 n LEU 20 CO 0.35 -0.80 0.62 -1.14 -1.33 0.00 0.00 177.39 175.09 2k14 n ARG 21 N -2.24 0.03 -0.71 3.23 0.63 -0.82 -1.39 116.66 115.39 2k14 n ARG 21 Ca -0.00 0.46 0.08 0.00 -0.92 0.00 0.00 57.85 57.47 2k14 n ARG 21 Cb 0.11 -1.58 0.36 0.00 0.45 0.00 0.00 32.46 31.80 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 -1.05 2.99 3.25 5.14 0.00 -0.89 -4.57 105.19 110.06 2k14 n GLY 22 Ca 0.01 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.30 1.05 0.10 1.61 0.52 -0.48 -5.07 118.95 114.37 2k14 s ARG 23 Ca 0.51 -1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 2k14 s ARG 23 Cb 0.36 -0.64 -0.05 0.00 0.52 0.00 0.00 34.95 35.14 2k14 s ARG 23 CO 0.19 0.08 0.28 -1.17 0.02 0.00 0.00 175.30 174.71 2k14 s LEU 24 N -3.09 4.32 0.00 2.53 2.96 -1.26 -2.36 118.68 121.78 2k14 s LEU 24 Ca 0.16 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.49 2k14 s LEU 24 Cb 0.02 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 2k14 s LEU 24 CO 0.01 0.12 0.16 0.61 -1.32 0.00 0.00 176.35 175.92 2k14 n GLY 25 N 0.18 3.21 2.81 7.98 0.00 1.00 -1.21 105.19 119.16 2k14 n GLY 25 Ca -0.04 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.50 0.10 0.17 1.61 2.47 0.54 -1.18 119.74 120.95 2k14 s LYS 26 Ca 0.16 0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 54.69 2k14 s LYS 26 Cb 0.00 -0.66 -0.08 0.00 -1.46 0.00 0.00 37.83 35.63 2k14 s LYS 26 CO 0.11 -0.44 1.15 0.08 0.16 0.00 0.00 175.35 176.41 2k14 s VAL 27 N 2.31 3.75 0.00 4.02 1.01 -0.90 -1.33 120.40 129.26 2k14 s VAL 27 Ca 0.04 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.48 2k14 s VAL 27 Cb -0.13 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2k14 s VAL 27 CO -0.08 0.23 0.00 2.30 0.00 0.00 0.00 175.10 177.55 2k14 n ILE 28 N 2.59 0.00 -3.74 2.22 -5.35 -0.15 -0.92 119.36 114.01 2k14 n ILE 28 Ca 0.04 -0.23 -0.16 0.00 -0.27 0.00 0.00 62.75 62.13 2k14 n ILE 28 Cb 0.45 0.77 -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 -0.98 -0.08 0.34 7.28 2.01 -1.16 -4.91 115.64 118.14 2k14 s THR 29 Ca 0.00 0.26 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 2k14 s THR 29 Cb 0.00 -0.13 -0.12 0.00 0.01 0.00 0.00 72.50 72.26 2k14 s THR 29 CO 0.00 0.11 1.32 0.00 -0.69 0.00 0.00 174.62 175.35 2k14 n ALA 30 N 4.48 1.41 -3.97 7.40 0.00 -1.26 -1.28 120.51 127.29 2k14 n ALA 30 Ca -0.21 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 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 -1.05 2.52 0.98 0.00 1.01 0.01 -3.57 120.40 120.30 2k14 s VAL 31 Ca 0.56 -2.90 -0.14 0.00 0.00 0.00 0.00 61.98 59.50 2k14 s VAL 31 Cb -0.56 -2.79 0.18 0.00 0.00 0.00 0.00 36.38 33.21 2k14 s VAL 31 CO 0.62 -0.72 1.16 -2.16 0.00 0.00 0.00 175.10 174.00 2k14 s PRO 32 N 0.22 0.60 0.61 2.72 0.04 -1.26 -0.70 135.00 137.23 2k14 s PRO 32 Ca 0.14 0.11 0.30 0.00 0.04 0.00 0.00 61.00 61.59 2k14 s PRO 32 Cb -0.23 -1.79 1.63 0.00 0.04 0.00 0.00 34.50 34.15 2k14 s PRO 32 CO -0.03 -2.53 2.01 -0.39 0.04 0.00 0.00 177.00 176.10 2k14 h VAL 33 N -1.73 0.32 -0.03 -0.36 -1.51 -1.82 -2.64 116.25 108.49 2k14 h VAL 33 Ca -0.49 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.81 2k14 h VAL 33 Cb 1.31 0.74 -0.34 0.00 -2.13 0.00 0.00 31.29 30.86 2k14 h VAL 33 CO 0.53 0.00 -0.91 -0.67 -1.23 0.00 0.00 177.57 175.29 2k14 n ASP 34 N -3.56 0.67 -0.43 4.19 2.03 -1.26 -4.35 116.55 113.84 2k14 n ASP 34 Ca 0.03 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.33 2k14 n ASP 34 Cb 0.44 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 2k14 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k14 n GLY 35 N 0.31 4.57 3.17 0.27 0.00 -0.99 -5.09 105.19 107.44 2k14 n GLY 35 Ca 0.00 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.65 1.39 0.00 1.61 0.40 -1.26 -4.11 117.98 114.36 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 -0.83 0.00 0.00 0.51 0.00 0.00 43.02 42.70 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 1.87 4.62 3.12 4.36 0.00 -0.21 -4.60 105.19 114.35 2k14 n GLY 37 Ca -0.18 -0.61 -0.10 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 4.02 0.59 0.06 1.61 2.02 -0.41 -0.90 118.70 125.70 2k14 s GLU 38 Ca 0.00 -0.72 -0.06 0.00 0.02 0.00 0.00 54.97 54.21 2k14 s GLU 38 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 2k14 s GLU 38 CO 0.00 -0.15 0.12 0.54 0.02 0.00 0.00 175.26 175.79 2k14 s VAL 39 N -2.53 0.15 0.04 2.63 0.11 -0.33 -0.97 120.40 119.50 2k14 s VAL 39 Ca -0.06 -1.25 0.05 0.00 -2.93 0.00 0.00 61.98 57.79 2k14 s VAL 39 Cb -0.02 -1.21 -0.02 0.00 -1.53 0.00 0.00 36.38 33.60 2k14 s VAL 39 CO -0.04 -0.69 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.19 2k14 s VAL 40 N -3.41 1.22 0.48 2.04 1.01 -0.44 -0.84 120.40 120.46 2k14 s VAL 40 Ca 0.02 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 2k14 s VAL 40 Cb 0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 2k14 s VAL 40 CO -0.08 0.06 1.11 -0.63 0.00 0.00 0.00 175.10 175.56 2k14 s ILE 41 N -0.81 3.38 -0.27 2.22 -1.09 -1.26 -0.33 121.20 123.03 2k14 s ILE 41 Ca 0.03 0.94 0.17 0.00 -2.23 0.00 0.00 60.65 59.56 2k14 s ILE 41 Cb -0.08 -3.43 0.17 0.00 -1.58 0.00 0.00 42.46 37.54 2k14 s ILE 41 CO 0.01 -0.10 1.49 -0.62 -1.23 0.00 0.00 174.94 174.49 2k14 n GLU 42 N -0.77 0.11 -0.36 2.79 -0.58 -0.35 -3.20 120.64 118.28 2k14 n GLU 42 Ca 0.09 0.60 -0.00 0.00 -0.42 0.00 0.00 57.16 57.42 2k14 n GLU 42 Cb 0.50 -1.92 -0.01 0.00 -0.57 0.00 0.00 31.44 29.44 2k14 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k14 n GLY 43 N -1.32 1.87 0.39 0.62 0.00 -1.26 -4.76 105.19 100.73 2k14 n GLY 43 Ca -0.01 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 1.38 0.10 0.00 -0.61 -0.00 -1.90 0.61 117.51 117.09 2k14 h ILE 44 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.87 2k14 h ILE 44 Cb 0.69 0.39 0.00 0.00 -0.00 0.00 0.00 36.82 37.90 2k14 h ILE 44 CO 0.02 0.00 0.00 1.23 -0.00 0.00 0.00 178.15 179.40 2k14 h GLY 45 N 0.00 0.00 0.00 0.16 0.00 -1.92 -3.39 103.07 97.93 2k14 h GLY 45 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 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 -0.39 1.00 3.66 4.60 0.00 0.08 -5.14 105.19 108.99 2k14 n GLY 46 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 1.77 -0.03 2.61 -4.23 -0.43 -5.10 115.64 110.23 2k14 s THR 47 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 2k14 s THR 47 Cb 0.00 -2.55 -0.00 0.00 1.34 0.00 0.00 72.50 71.29 2k14 s THR 47 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2k14 s ILE 48 N -3.09 1.15 0.48 2.99 -1.09 -1.26 -4.91 121.20 115.47 2k14 s ILE 48 Ca 0.69 -0.57 -0.22 0.00 -2.23 0.00 0.00 60.65 58.32 2k14 s ILE 48 Cb -0.12 -0.99 -0.07 0.00 -1.58 0.00 0.00 42.46 39.70 2k14 s ILE 48 CO 0.56 0.34 1.12 -0.94 -1.23 0.00 0.00 174.94 174.78 2k14 s SER 49 N 0.02 6.16 0.07 3.58 1.04 -1.26 -4.39 113.70 118.91 2k14 s SER 49 Ca -0.02 2.16 -0.03 0.00 0.48 0.00 0.00 55.95 58.55 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 -0.91 0.04 -0.54 0.98 0.00 0.00 173.24 172.81 2k14 s LYS 50 N -2.92 0.71 0.59 4.02 -0.14 -0.02 -5.00 119.74 116.97 2k14 s LYS 50 Ca 0.66 -1.18 -0.18 0.00 -1.36 0.00 0.00 55.97 53.91 2k14 s LYS 50 Cb -0.24 0.25 -0.03 0.00 -1.68 0.00 0.00 37.83 36.12 2k14 s LYS 50 CO 0.29 -0.17 1.14 0.45 -0.76 0.00 0.00 175.35 176.31 2k14 s SER 51 N -2.92 5.38 0.00 2.83 0.15 -0.82 -1.19 113.70 117.14 2k14 s SER 51 Ca 0.08 2.19 -0.03 0.00 0.70 0.00 0.00 55.95 58.88 2k14 s SER 51 Cb 0.07 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.80 2k14 s SER 51 CO -0.09 -1.45 0.06 0.00 1.20 0.00 0.00 173.24 172.96 2k14 s ALA 52 N -1.88 -0.12 0.12 5.45 0.00 -0.08 -1.20 121.76 124.04 2k14 s ALA 52 Ca 0.72 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.49 2k14 s ALA 52 Cb -0.25 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2k14 s ALA 52 CO 0.33 -0.16 -0.15 0.14 0.00 0.00 0.00 175.76 175.92 2k14 s VAL 53 N -1.16 1.36 -0.54 0.00 -7.23 -0.11 -1.04 120.40 111.68 2k14 s VAL 53 Ca -0.13 -1.67 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 2k14 s VAL 53 Cb -0.07 -1.50 0.04 0.00 0.56 0.00 0.00 36.38 35.40 2k14 s VAL 53 CO 0.00 -0.37 0.99 -0.55 -0.31 0.00 0.00 175.10 174.87 2k14 s SER 54 N -2.35 6.39 0.35 4.85 0.15 -1.26 -1.01 113.70 120.82 2k14 s SER 54 Ca 0.08 -0.17 0.08 0.00 0.70 0.00 0.00 55.95 56.64 2k14 s SER 54 Cb -0.06 -2.46 0.65 0.00 -1.71 0.00 0.00 66.02 62.44 2k14 s SER 54 CO 0.03 -1.25 1.83 0.15 1.20 0.00 0.00 173.24 175.20 2k14 h PHE 55 N 9.32 0.26 -0.57 3.44 3.57 -1.35 -3.16 116.94 128.45 2k14 h PHE 55 Ca -0.25 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2k14 h PHE 55 Cb 1.07 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2k14 h PHE 55 CO 0.93 0.47 0.00 -3.47 -2.23 0.00 0.00 178.31 174.01 2k14 n ASP 56 N -4.17 5.03 -4.16 0.41 2.03 -1.26 -4.96 116.55 109.46 2k14 n ASP 56 Ca -0.01 -2.70 -0.32 0.00 0.52 0.00 0.00 54.79 52.28 2k14 n ASP 56 Cb 0.35 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.72 -1.59 -4.77 1.67 6.94 -1.20 -5.00 115.26 112.03 2k14 n ASN 57 Ca 0.26 -1.06 -0.27 0.00 -0.02 0.00 0.00 54.58 53.48 2k14 n ASN 57 Cb 1.01 -2.63 -0.06 0.00 -2.36 0.00 0.00 39.78 35.73 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 -6.88 2.80 -0.16 -3.83 -1.52 -1.26 -4.67 119.66 104.14 2k14 s GLN 58 Ca 0.39 -0.86 -0.27 0.00 -1.95 0.00 0.00 55.36 52.67 2k14 s GLN 58 Cb -0.21 -2.61 -0.01 0.00 -0.22 0.00 0.00 33.01 29.95 2k14 s GLN 58 CO 0.93 0.50 0.90 -1.14 -0.25 0.00 0.00 175.29 176.24 2k14 s GLN 59 N -2.87 4.33 -0.47 2.91 -0.44 -1.26 -3.24 119.66 118.61 2k14 s GLN 59 Ca 0.30 1.16 0.03 0.00 -2.50 0.00 0.00 55.36 54.35 2k14 s GLN 59 Cb -0.11 -3.57 0.12 0.00 -1.64 0.00 0.00 33.01 27.82 2k14 s GLN 59 CO 0.22 -0.36 0.22 0.42 0.50 0.00 0.00 175.29 176.29 2k14 s ILE 60 N 2.23 2.64 1.04 -2.34 1.01 0.12 -4.98 121.20 120.92 2k14 s ILE 60 Ca 0.42 -2.96 -0.13 0.00 0.00 0.00 0.00 60.65 57.98 2k14 s ILE 60 Cb -0.17 -2.85 0.21 0.00 0.01 0.00 0.00 42.46 39.66 2k14 s ILE 60 CO 0.13 -0.75 1.09 -0.55 0.00 0.00 0.00 174.94 174.86 2k14 s SER 61 N 0.23 2.28 0.38 3.58 0.15 -1.26 -0.81 113.70 118.25 2k14 s SER 61 Ca 0.15 1.16 -0.26 0.00 0.70 0.00 0.00 55.95 57.71 2k14 s SER 61 Cb -0.23 -1.83 -0.12 0.00 -1.71 0.00 0.00 66.02 62.13 2k14 s SER 61 CO -0.03 -3.34 1.06 0.00 1.20 0.00 0.00 173.24 172.13 2k14 n TYR 62 N -4.31 1.39 -2.27 3.44 9.36 -1.26 -3.90 117.16 119.61 2k14 n TYR 62 Ca 0.05 0.59 -0.07 0.00 3.32 0.00 0.00 57.90 61.79 2k14 n TYR 62 Cb 0.57 -2.27 0.00 0.00 -0.63 0.00 0.00 39.34 37.02 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 1.12 0.17 3.40 2.98 0.00 -0.09 -5.00 105.19 107.76 2k14 n GLY 63 Ca 0.09 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.49 2.23 -0.20 2.61 -1.32 -1.25 -4.96 115.64 110.26 2k14 s THR 64 Ca 0.04 -1.98 -0.17 0.00 -1.21 0.00 0.00 61.69 58.37 2k14 s THR 64 Cb -0.02 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.89 2k14 s THR 64 CO 0.05 -0.14 0.46 -0.89 -2.21 0.00 0.00 174.62 171.89 2k14 s THR 65 N -1.68 5.15 0.04 5.08 2.01 -1.26 -2.12 115.64 122.87 2k14 s THR 65 Ca 0.19 0.83 0.05 0.00 0.31 0.00 0.00 61.69 63.08 2k14 s THR 65 Cb -0.08 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2k14 s THR 65 CO 0.09 0.21 -0.16 0.68 -0.69 0.00 0.00 174.62 174.75 2k14 s VAL 66 N 1.50 1.25 -0.19 3.82 -7.23 -0.32 -1.84 120.40 117.40 2k14 s VAL 66 Ca 0.22 -1.06 -0.14 0.00 -1.81 0.00 0.00 61.98 59.19 2k14 s VAL 66 Cb -0.15 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2k14 s VAL 66 CO 0.09 0.05 0.31 -0.22 -0.31 0.00 0.00 175.10 175.02 2k14 s LEU 67 N -1.17 4.19 -0.04 1.32 2.96 0.12 -0.00 118.68 126.07 2k14 s LEU 67 Ca 0.03 0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 54.10 2k14 s LEU 67 Cb -0.08 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2k14 s LEU 67 CO 0.01 0.03 1.25 -0.69 -1.32 0.00 0.00 176.35 175.63 2k14 s VAL 68 N 0.86 4.11 0.00 1.68 1.01 -1.00 -1.69 120.40 125.37 2k14 s VAL 68 Ca 0.16 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.60 2k14 s VAL 68 Cb -0.14 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2k14 s VAL 68 CO 0.05 0.00 0.00 1.33 0.00 0.00 0.00 175.10 176.48 2k14 n VAL 69 N 4.61 0.00 -3.81 2.92 0.24 0.14 -4.52 118.33 117.92 2k14 n VAL 69 Ca 0.11 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.31 2k14 n VAL 69 Cb 0.46 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.92 -0.06 -0.09 -1.34 -1.08 -0.98 -5.03 116.67 106.17 2k14 s ASP 70 Ca 0.00 -0.61 -0.09 0.00 -0.52 0.00 0.00 52.55 51.33 2k14 s ASP 70 Cb 0.00 0.45 0.02 0.00 -1.46 0.00 0.00 42.92 41.93 2k14 s ASP 70 CO 0.00 -0.87 0.25 -0.63 0.52 0.00 0.00 175.17 174.44 2k14 s ILE 71 N -3.88 0.00 0.13 4.11 1.01 -1.26 -0.31 121.20 121.01 2k14 s ILE 71 Ca 0.09 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2k14 s ILE 71 Cb 0.03 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2k14 s ILE 71 CO -0.06 -0.01 -0.04 0.21 0.00 0.00 0.00 174.94 175.03 2k14 s ASN 72 N 0.09 1.25 -0.75 3.58 3.84 -0.70 -4.97 114.94 117.29 2k14 s ASN 72 Ca -0.00 -1.07 -0.27 0.00 0.21 0.00 0.00 52.86 51.72 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 -0.49 2.53 0.59 -2.79 0.00 0.00 177.10 176.94 2k14 n ASN 73 N -0.14 1.25 0.00 -4.21 4.13 -1.26 -0.85 115.26 114.17 2k14 n ASN 73 Ca -0.10 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 55.90 2k14 n ASN 73 Cb 0.62 -1.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 2k14 n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k14 n GLY 74 N 6.24 0.22 2.62 7.41 0.00 -1.26 -4.96 105.19 115.46 2k14 n GLY 74 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.44 1.04 0.45 1.61 1.01 -0.03 -1.95 120.40 121.09 2k14 s VAL 75 Ca 0.00 -2.47 -0.21 0.00 0.00 0.00 0.00 61.98 59.30 2k14 s VAL 75 Cb 0.00 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 2k14 s VAL 75 CO 0.00 -0.97 1.01 -0.76 0.00 0.00 0.00 175.10 174.37 2k14 s LEU 76 N 0.37 3.93 -0.23 3.92 1.02 -0.34 -1.72 118.68 125.63 2k14 s LEU 76 Ca 0.20 1.86 -0.06 0.00 0.02 0.00 0.00 54.13 56.16 2k14 s LEU 76 Cb -0.19 -4.49 -0.02 0.00 0.02 0.00 0.00 46.19 41.51 2k14 s LEU 76 CO -0.03 -0.59 0.01 -0.44 0.02 0.00 0.00 176.35 175.32 2k14 s SER 77 N -1.98 4.78 0.20 2.29 0.01 0.58 -0.93 113.70 118.64 2k14 s SER 77 Ca 0.64 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.68 2k14 s SER 77 Cb -0.15 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 2k14 s SER 77 CO 0.19 -0.00 -0.06 0.68 0.41 0.00 0.00 173.24 174.45 2k14 s VAL 78 N 1.40 1.22 -0.05 3.43 -7.23 -0.18 -0.68 120.40 118.31 2k14 s VAL 78 Ca 0.05 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.09 2k14 s VAL 78 Cb -0.15 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.66 2k14 s VAL 78 CO 0.01 -0.50 0.15 0.28 -0.31 0.00 0.00 175.10 174.73 2k14 s THR 79 N -3.30 0.01 -0.89 5.32 -1.32 -0.68 -0.94 115.64 113.84 2k14 s THR 79 Ca 0.24 -0.12 -0.25 0.00 -1.21 0.00 0.00 61.69 60.35 2k14 s THR 79 Cb 0.04 -0.26 -0.02 0.00 -1.51 0.00 0.00 72.50 70.74 2k14 s THR 79 CO 0.06 -0.07 1.83 -2.16 -2.21 0.00 0.00 174.62 172.07 2k14 s PRO 80 N -0.17 2.77 0.22 7.08 0.04 -1.26 -0.70 135.00 142.97 2k14 s PRO 80 Ca -0.02 -0.34 -0.05 0.00 0.04 0.00 0.00 61.00 60.62 2k14 s PRO 80 Cb -0.02 -5.02 0.19 0.00 0.04 0.00 0.00 34.50 29.69 2k14 s PRO 80 CO 0.00 -3.07 1.68 1.25 0.04 0.00 0.00 177.00 176.90 2k14 h HIS 81 N 11.37 0.98 -6.93 0.56 2.76 -1.81 -3.48 115.15 118.60 2k14 h HIS 81 Ca 0.07 -0.17 -0.50 0.00 -2.20 0.00 0.00 60.37 57.57 2k14 h HIS 81 Cb 1.02 -0.25 -0.07 0.00 1.55 0.00 0.00 27.41 29.66 2k14 h HIS 81 CO 1.21 0.92 -0.82 0.39 -1.30 0.00 0.00 177.93 178.33 2k14 n GLU 82 N -4.17 -0.57 -1.26 5.26 1.02 -0.77 -4.94 120.64 115.21 2k14 n GLU 82 Ca 0.02 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 2k14 n GLU 82 Cb 0.36 -2.21 0.09 0.00 -0.02 0.00 0.00 31.44 29.66 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 -6.88 2.18 0.00 3.49 0.04 -1.26 -5.08 135.00 127.49 2k14 s PRO 83 Ca 0.26 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2k14 s PRO 83 Cb -0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k14 s PRO 83 CO 0.80 -1.71 0.05 -0.89 0.04 0.00 0.00 177.00 175.29