#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 0.00 -0.53 1.61 0.02 -2.06 -1.52 113.55 111.07 2k14 h SER 2 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2k14 h SER 2 Cb 0.00 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2k14 h SER 2 CO 0.00 0.00 0.35 -0.74 -1.14 0.00 0.00 176.83 175.30 2k14 h HIS 3 N 0.00 0.54 -0.26 3.45 2.76 -2.05 -0.29 115.15 119.30 2k14 h HIS 3 Ca 0.26 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.28 2k14 h HIS 3 Cb 1.03 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 2k14 h HIS 3 CO -0.00 0.31 -0.47 0.52 -1.30 0.00 0.00 177.93 176.99 2k14 h MET 4 N 0.55 0.69 -0.40 5.26 0.00 -1.70 -0.66 114.93 118.67 2k14 h MET 4 Ca 0.22 -0.39 -0.12 0.00 0.00 0.00 0.00 59.70 59.41 2k14 h MET 4 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 31.60 31.80 2k14 h MET 4 CO -0.06 1.01 -0.22 -0.07 0.00 0.00 0.00 176.91 177.56 2k14 h LEU 5 N 0.55 0.89 -0.73 1.22 3.38 -1.45 -0.68 115.31 118.49 2k14 h LEU 5 Ca 0.03 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 2k14 h LEU 5 Cb 1.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2k14 h LEU 5 CO 0.10 1.11 0.25 -0.33 0.09 0.00 0.00 178.44 179.66 2k14 h GLU 6 N 0.67 1.11 -0.75 1.13 5.08 -1.06 -0.83 114.58 119.94 2k14 h GLU 6 Ca 0.09 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2k14 h GLU 6 Cb 0.79 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2k14 h GLU 6 CO 0.06 0.94 0.24 0.77 -1.00 0.00 0.00 179.01 180.02 2k14 h SER 7 N 1.06 1.09 -0.56 1.42 0.02 -1.01 -0.64 113.55 114.94 2k14 h SER 7 Ca 0.24 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2k14 h SER 7 Cb 0.28 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2k14 h SER 7 CO -0.01 1.01 0.14 -1.28 -1.14 0.00 0.00 176.83 175.55 2k14 h SER 8 N 1.12 0.84 -0.75 3.07 0.87 -0.88 -0.85 113.55 116.97 2k14 h SER 8 Ca 0.24 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2k14 h SER 8 Cb 0.30 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2k14 h SER 8 CO -0.01 0.85 0.22 0.00 -0.53 0.00 0.00 176.83 177.37 2k14 h ALA 9 N 1.02 0.98 -0.46 6.23 0.00 -1.01 -0.54 119.26 125.48 2k14 h ALA 9 Ca 0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2k14 h ALA 9 Cb 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k14 h ALA 9 CO 0.00 0.67 0.01 1.49 0.00 0.00 0.00 179.25 181.43 2k14 h GLU 10 N 1.12 0.81 -0.57 0.00 4.81 -0.93 -0.90 114.58 118.92 2k14 h GLU 10 Ca 0.24 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2k14 h GLU 10 Cb 0.33 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2k14 h GLU 10 CO -0.01 0.86 0.11 0.93 -0.73 0.00 0.00 179.01 180.17 2k14 h GLU 11 N 0.66 0.91 -0.85 1.92 4.39 -1.08 -0.84 114.58 119.69 2k14 h GLU 11 Ca 0.13 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2k14 h GLU 11 Cb 0.48 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 2k14 h GLU 11 CO 0.02 0.83 0.41 0.77 -1.16 0.00 0.00 179.01 179.88 2k14 h SER 12 N 0.87 1.12 -0.47 1.42 0.02 -0.86 -0.75 113.55 114.89 2k14 h SER 12 Ca 0.18 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 2k14 h SER 12 Cb 0.36 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2k14 h SER 12 CO 0.01 0.94 -0.12 0.25 -1.14 0.00 0.00 176.83 176.77 2k14 h LEU 13 N 1.22 0.95 -1.21 5.07 7.12 -0.91 -1.19 115.31 126.36 2k14 h LEU 13 Ca 0.29 -0.31 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 2k14 h LEU 13 Cb 0.12 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 39.96 2k14 h LEU 13 CO -0.04 1.08 0.36 0.00 -0.13 0.00 0.00 178.44 179.71 2k14 h ALA 14 N 1.00 1.40 -0.42 1.25 0.00 -0.75 0.20 119.26 121.95 2k14 h ALA 14 Ca 0.13 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2k14 h ALA 14 Cb 0.67 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k14 h ALA 14 CO 0.05 0.50 -0.28 1.88 0.00 0.00 0.00 179.25 181.40 2k14 h TYR 15 N 0.91 1.05 -0.88 0.00 0.05 -0.86 -0.29 116.97 116.96 2k14 h TYR 15 Ca 0.23 -0.27 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2k14 h TYR 15 Cb 0.02 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 2k14 h TYR 15 CO 0.01 1.07 0.46 0.00 -1.05 0.00 0.00 178.16 178.65 2k14 h ARG 16 N 0.77 1.24 -0.48 4.88 3.08 -0.82 -1.89 114.38 121.17 2k14 h ARG 16 Ca 0.09 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 2k14 h ARG 16 Cb 0.84 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2k14 h ARG 16 CO 0.07 0.93 -0.07 1.49 -1.07 0.00 0.00 179.97 181.32 2k14 h GLU 17 N 1.24 0.89 0.00 0.04 4.81 -0.87 -3.05 114.58 117.65 2k14 h GLU 17 Ca 0.31 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2k14 h GLU 17 Cb 0.06 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 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 0.74 0.00 0.04 1.04 3.58 -0.79 -1.36 116.42 119.67 2k14 h ASP 18 Ca 0.13 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2k14 h ASP 18 Cb 0.61 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 2k14 h ASP 18 CO 0.04 0.11 -0.06 -0.78 -2.88 0.00 0.00 179.24 175.67 2k14 h ASP 19 N 0.00 0.05 0.30 2.28 3.58 -1.23 -2.16 116.42 119.25 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 0.30 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.33 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 0.48 0.33 2.28 4.77 -0.51 -2.18 117.00 117.73 2k14 n LEU 20 Ca -0.02 0.67 0.21 0.00 -0.03 0.00 0.00 56.01 56.84 2k14 n LEU 20 Cb 0.16 -0.67 1.14 0.00 -2.33 0.00 0.00 43.42 41.72 2k14 n LEU 20 CO 0.35 -0.69 1.16 -0.09 -1.33 0.00 0.00 177.39 176.79 2k14 h ARG 21 N 0.00 0.00 -0.59 3.23 2.43 -1.51 -1.30 114.38 116.64 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 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 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 -1.01 1.57 3.27 2.80 0.00 -0.93 -4.64 105.19 106.26 2k14 n GLY 22 Ca -0.03 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.71 1.13 0.06 1.61 0.52 -0.49 -5.08 118.95 115.00 2k14 s ARG 23 Ca 0.28 -1.51 0.01 0.00 -0.52 0.00 0.00 55.73 53.98 2k14 s ARG 23 Cb 0.18 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 34.98 2k14 s ARG 23 CO 0.13 0.03 0.18 -1.17 0.02 0.00 0.00 175.30 174.50 2k14 s LEU 24 N -3.20 4.23 0.00 2.53 2.96 -1.26 -2.73 118.68 121.20 2k14 s LEU 24 Ca 0.20 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 2k14 s LEU 24 Cb 0.03 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 2k14 s LEU 24 CO 0.03 0.17 0.13 0.61 -1.32 0.00 0.00 176.35 175.97 2k14 n GLY 25 N 0.33 3.47 2.83 7.98 0.00 0.95 -1.15 105.19 119.61 2k14 n GLY 25 Ca -0.06 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.56 0.09 0.15 1.61 2.47 0.59 -1.22 119.74 120.87 2k14 s LYS 26 Ca 0.17 0.47 -0.30 0.00 -1.56 0.00 0.00 55.97 54.75 2k14 s LYS 26 Cb 0.01 -0.54 -0.07 0.00 -1.46 0.00 0.00 37.83 35.76 2k14 s LYS 26 CO 0.12 -0.41 1.11 0.08 0.16 0.00 0.00 175.35 176.41 2k14 s VAL 27 N 2.31 3.96 0.00 4.02 1.01 -1.02 -1.22 120.40 129.46 2k14 s VAL 27 Ca 0.04 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2k14 s VAL 27 Cb -0.13 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2k14 s VAL 27 CO -0.08 0.24 0.00 2.30 0.00 0.00 0.00 175.10 177.57 2k14 n ILE 28 N 2.73 0.00 -3.72 2.22 -5.35 -0.12 -0.97 119.36 114.14 2k14 n ILE 28 Ca 0.04 -0.32 -0.15 0.00 -0.27 0.00 0.00 62.75 62.05 2k14 n ILE 28 Cb 0.46 0.93 -0.15 0.00 -1.74 0.00 0.00 39.64 39.14 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 -0.82 -0.11 0.35 7.28 2.01 -1.14 -4.91 115.64 118.30 2k14 s THR 29 Ca 0.00 0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.96 2k14 s THR 29 Cb 0.00 -0.25 -0.12 0.00 0.01 0.00 0.00 72.50 72.14 2k14 s THR 29 CO 0.00 0.10 1.30 0.00 -0.69 0.00 0.00 174.62 175.32 2k14 n ALA 30 N 4.53 1.34 -3.98 7.40 0.00 -1.26 -1.34 120.51 127.21 2k14 n ALA 30 Ca -0.20 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 2k14 n ALA 30 Cb 0.51 -2.26 -0.14 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.10 2.47 0.98 0.00 1.01 -0.11 -3.60 120.40 120.05 2k14 s VAL 31 Ca 0.56 -2.84 -0.15 0.00 0.00 0.00 0.00 61.98 59.55 2k14 s VAL 31 Cb -0.56 -2.77 0.18 0.00 0.00 0.00 0.00 36.38 33.24 2k14 s VAL 31 CO 0.62 -0.71 1.17 -2.16 0.00 0.00 0.00 175.10 174.03 2k14 s PRO 32 N 0.29 0.52 0.66 2.72 0.04 -1.26 -0.66 135.00 137.31 2k14 s PRO 32 Ca 0.14 0.07 0.36 0.00 0.04 0.00 0.00 61.00 61.61 2k14 s PRO 32 Cb -0.23 -1.79 1.96 0.00 0.04 0.00 0.00 34.50 34.49 2k14 s PRO 32 CO -0.04 -2.57 2.11 -0.39 0.04 0.00 0.00 177.00 176.15 2k14 h VAL 33 N -1.76 0.02 0.00 -0.36 -1.51 -1.85 -2.67 116.25 108.12 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 1.30 0.81 -0.14 0.00 -2.13 0.00 0.00 31.29 31.13 2k14 h VAL 33 CO 0.51 0.00 -0.62 -0.90 -1.23 0.00 0.00 177.57 175.33 2k14 n ASP 34 N -3.01 0.27 -0.51 4.19 5.75 -1.26 -4.31 116.55 117.67 2k14 n ASP 34 Ca -0.02 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2k14 n ASP 34 Cb 0.26 -0.18 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 0.17 4.69 3.17 6.12 0.00 -1.01 -5.08 105.19 113.25 2k14 n GLY 35 Ca 0.00 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.42 1.39 0.00 1.61 0.40 -1.26 -4.07 117.98 114.63 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 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.71 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 4.52 3.13 4.36 0.00 -0.27 -4.61 105.19 114.18 2k14 n GLY 37 Ca -0.18 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 3.90 0.60 0.06 1.61 2.02 -0.45 -0.77 118.70 125.68 2k14 s GLU 38 Ca 0.00 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.23 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 0.00 175.26 175.80 2k14 s VAL 39 N -2.49 0.15 0.04 2.63 0.11 -0.22 -0.94 120.40 119.68 2k14 s VAL 39 Ca -0.06 -1.23 0.05 0.00 -2.93 0.00 0.00 61.98 57.82 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 -0.68 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.21 2k14 s VAL 40 N -3.40 1.22 0.47 2.04 1.01 -0.36 -0.90 120.40 120.48 2k14 s VAL 40 Ca 0.02 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 2k14 s VAL 40 Cb 0.03 -1.09 -0.08 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 3.37 -0.15 2.22 -1.09 -1.26 -0.30 121.20 123.18 2k14 s ILE 41 Ca 0.03 0.95 0.19 0.00 -2.23 0.00 0.00 60.65 59.59 2k14 s ILE 41 Cb -0.08 -3.44 0.19 0.00 -1.58 0.00 0.00 42.46 37.54 2k14 s ILE 41 CO 0.01 -0.09 1.54 -0.62 -1.23 0.00 0.00 174.94 174.55 2k14 n GLU 42 N -0.70 0.12 -0.35 2.79 -0.58 -0.30 -3.06 120.64 118.56 2k14 n GLU 42 Ca 0.08 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 2k14 n GLU 42 Cb 0.50 -1.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 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 -1.29 1.96 0.47 0.62 0.00 -1.26 -4.75 105.19 100.93 2k14 n GLY 43 Ca -0.01 0.00 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 1.22 0.22 0.00 -0.61 -2.65 -1.88 0.68 117.51 114.48 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 0.74 0.36 0.00 0.00 -2.05 0.00 0.00 36.82 35.87 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 -1.92 -3.37 103.07 97.94 2k14 h GLY 45 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 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 -0.90 0.76 3.68 4.60 0.00 0.09 -5.14 105.19 108.29 2k14 n GLY 46 Ca -0.01 0.00 -0.29 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 1.82 -0.02 2.61 -4.23 -0.40 -5.10 115.64 110.32 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 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 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 -3.12 1.11 0.56 2.99 1.01 -1.26 -4.89 121.20 117.60 2k14 s ILE 48 Ca 0.69 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 2k14 s ILE 48 Cb -0.13 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 2k14 s ILE 48 CO 0.56 0.32 1.11 -0.94 0.00 0.00 0.00 174.94 175.99 2k14 s SER 49 N -0.18 5.70 0.07 3.58 1.04 -1.26 -4.43 113.70 118.21 2k14 s SER 49 Ca 0.02 2.10 -0.05 0.00 0.48 0.00 0.00 55.95 58.50 2k14 s SER 49 Cb -0.07 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 2k14 s SER 49 CO 0.00 -1.23 0.09 -0.54 0.98 0.00 0.00 173.24 172.54 2k14 s LYS 50 N -3.45 0.73 0.63 4.02 -0.14 -0.08 -5.00 119.74 116.44 2k14 s LYS 50 Ca 0.71 -1.05 -0.16 0.00 -1.36 0.00 0.00 55.97 54.10 2k14 s LYS 50 Cb -0.22 0.28 -0.02 0.00 -1.68 0.00 0.00 37.83 36.19 2k14 s LYS 50 CO 0.29 -0.19 1.13 -1.12 -0.76 0.00 0.00 175.35 174.69 2k14 s SER 51 N -2.83 5.21 0.00 2.83 0.01 -1.06 -1.06 113.70 116.81 2k14 s SER 51 Ca 0.05 2.10 -0.05 0.00 1.31 0.00 0.00 55.95 59.35 2k14 s SER 51 Cb 0.06 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 2k14 s SER 51 CO -0.10 -1.56 0.10 0.00 0.41 0.00 0.00 173.24 172.08 2k14 s ALA 52 N -2.12 -0.22 0.11 1.44 0.00 0.05 -1.34 121.76 119.69 2k14 s ALA 52 Ca 0.70 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.54 2k14 s ALA 52 Cb -0.23 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2k14 s ALA 52 CO 0.37 -0.18 -0.14 0.14 0.00 0.00 0.00 175.76 175.95 2k14 s VAL 53 N -1.21 1.31 -0.52 0.00 -7.23 -0.26 -1.11 120.40 111.38 2k14 s VAL 53 Ca -0.13 -1.65 -0.25 0.00 -1.81 0.00 0.00 61.98 58.14 2k14 s VAL 53 Cb -0.07 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.44 2k14 s VAL 53 CO 0.01 -0.38 0.95 -0.55 -0.31 0.00 0.00 175.10 174.82 2k14 s SER 54 N -2.33 6.41 0.51 4.85 0.15 -1.26 -1.05 113.70 120.98 2k14 s SER 54 Ca 0.07 -0.14 0.30 0.00 0.70 0.00 0.00 55.95 56.88 2k14 s SER 54 Cb -0.06 -2.45 1.13 0.00 -1.71 0.00 0.00 66.02 62.93 2k14 s SER 54 CO 0.03 -1.18 1.90 0.15 1.20 0.00 0.00 173.24 175.34 2k14 h PHE 55 N 9.24 0.00 -0.14 3.44 3.57 -1.44 -3.25 116.94 128.36 2k14 h PHE 55 Ca -0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2k14 h PHE 55 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2k14 h PHE 55 CO 0.90 0.05 0.00 -0.25 -2.23 0.00 0.00 178.31 176.78 2k14 n ASP 56 N -3.15 2.92 -3.88 0.41 9.92 -1.26 -4.99 116.55 116.52 2k14 n ASP 56 Ca 0.01 -2.77 -0.25 0.00 -0.53 0.00 0.00 54.79 51.25 2k14 n ASP 56 Cb 0.36 -0.39 -0.00 0.00 -0.64 0.00 0.00 41.12 40.45 2k14 n ASP 56 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k14 n ASN 57 N -0.73 -0.80 -4.51 -2.24 4.13 -1.23 -5.02 115.26 104.87 2k14 n ASN 57 Ca 0.15 -0.97 -0.30 0.00 1.68 0.00 0.00 54.58 55.15 2k14 n ASN 57 Cb 0.65 -3.30 -0.11 0.00 -1.54 0.00 0.00 39.78 35.48 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 -6.38 1.92 -0.24 3.52 -0.21 -1.26 -4.74 119.66 112.26 2k14 s GLN 58 Ca 0.03 -1.10 -0.24 0.00 0.02 0.00 0.00 55.36 54.07 2k14 s GLN 58 Cb -0.01 -2.18 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 2k14 s GLN 58 CO 0.87 0.50 0.82 -1.14 -2.12 0.00 0.00 175.29 174.21 2k14 s GLN 59 N -2.03 4.17 -0.55 2.91 -0.44 -1.26 -3.37 119.66 119.09 2k14 s GLN 59 Ca 0.18 0.91 0.01 0.00 -2.50 0.00 0.00 55.36 53.96 2k14 s GLN 59 Cb -0.11 -3.65 0.14 0.00 -1.64 0.00 0.00 33.01 27.76 2k14 s GLN 59 CO 0.10 -0.52 0.32 0.42 0.50 0.00 0.00 175.29 176.12 2k14 s ILE 60 N 2.83 3.06 0.98 -2.34 1.01 0.16 -4.98 121.20 121.91 2k14 s ILE 60 Ca 0.34 -3.09 -0.12 0.00 0.00 0.00 0.00 60.65 57.78 2k14 s ILE 60 Cb -0.15 -3.06 0.18 0.00 0.01 0.00 0.00 42.46 39.43 2k14 s ILE 60 CO 0.07 -0.82 1.08 -0.44 0.00 0.00 0.00 174.94 174.84 2k14 s SER 61 N 0.23 2.69 0.30 3.58 0.01 -1.26 -0.93 113.70 118.32 2k14 s SER 61 Ca 0.16 1.56 -0.28 0.00 1.31 0.00 0.00 55.95 58.71 2k14 s SER 61 Cb -0.23 -2.23 -0.14 0.00 0.21 0.00 0.00 66.02 63.64 2k14 s SER 61 CO -0.02 -3.14 1.02 0.00 0.41 0.00 0.00 173.24 171.51 2k14 n TYR 62 N -4.22 1.31 -0.71 2.43 4.19 -1.26 -3.68 117.16 115.21 2k14 n TYR 62 Ca 0.06 0.68 0.00 0.00 3.31 0.00 0.00 57.90 61.96 2k14 n TYR 62 Cb 0.55 -2.26 0.00 0.00 0.49 0.00 0.00 39.34 38.12 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 1.19 0.81 3.94 2.98 0.00 -0.14 -5.01 105.19 108.96 2k14 n GLY 63 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.12 5.12 -0.18 2.61 -1.32 -1.24 -4.88 115.64 112.63 2k14 s THR 64 Ca 0.00 -0.43 -0.15 0.00 -1.21 0.00 0.00 61.69 59.90 2k14 s THR 64 Cb 0.00 -3.83 -0.04 0.00 -1.51 0.00 0.00 72.50 67.12 2k14 s THR 64 CO 0.00 -0.46 0.35 -0.89 -2.21 0.00 0.00 174.62 171.42 2k14 s THR 65 N -2.20 5.25 0.04 5.08 2.01 -1.26 -2.44 115.64 122.12 2k14 s THR 65 Ca 0.40 0.65 0.05 0.00 0.31 0.00 0.00 61.69 63.10 2k14 s THR 65 Cb -0.10 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2k14 s THR 65 CO 0.34 0.32 -0.15 0.68 -0.69 0.00 0.00 174.62 175.12 2k14 s VAL 66 N 0.89 1.15 -0.22 3.82 -7.23 -0.36 -0.85 120.40 117.61 2k14 s VAL 66 Ca 0.18 -1.02 -0.08 0.00 -1.81 0.00 0.00 61.98 59.25 2k14 s VAL 66 Cb -0.14 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 2k14 s VAL 66 CO 0.06 0.01 0.08 -0.22 -0.31 0.00 0.00 175.10 174.73 2k14 s LEU 67 N -1.16 3.67 -1.17 1.32 1.98 -0.44 -0.03 118.68 122.83 2k14 s LEU 67 Ca 0.02 -0.06 -0.21 0.00 -2.89 0.00 0.00 54.13 50.99 2k14 s LEU 67 Cb -0.08 -1.96 0.02 0.00 0.66 0.00 0.00 46.19 44.83 2k14 s LEU 67 CO 0.01 0.06 1.74 -0.69 -1.89 0.00 0.00 176.35 175.58 2k14 s VAL 68 N 1.09 3.88 0.19 1.68 1.01 -1.11 -2.73 120.40 124.41 2k14 s VAL 68 Ca 0.05 -1.29 0.21 0.00 0.00 0.00 0.00 61.98 60.95 2k14 s VAL 68 Cb -0.14 -4.91 0.18 0.00 0.00 0.00 0.00 36.38 31.51 2k14 s VAL 68 CO 0.03 -1.67 1.80 -0.37 0.00 0.00 0.00 175.10 174.90 2k14 h VAL 69 N 6.14 0.75 -3.73 2.92 -1.51 -1.47 -3.40 116.25 115.93 2k14 h VAL 69 Ca 0.31 -1.27 -0.08 0.00 -1.23 0.00 0.00 66.70 64.43 2k14 h VAL 69 Cb 0.93 1.80 -0.11 0.00 -2.13 0.00 0.00 31.29 31.78 2k14 h VAL 69 CO 1.38 0.29 -0.22 -0.62 -1.23 0.00 0.00 177.57 177.17 2k14 s ASP 70 N -6.34 -0.04 -0.08 4.19 -1.08 -0.91 -5.04 116.67 107.37 2k14 s ASP 70 Ca -0.00 -0.81 -0.07 0.00 -0.52 0.00 0.00 52.55 51.15 2k14 s ASP 70 Cb 0.11 0.49 0.02 0.00 -1.46 0.00 0.00 42.92 42.08 2k14 s ASP 70 CO 0.66 -0.97 0.21 -0.63 0.52 0.00 0.00 175.17 174.96 2k14 s ILE 71 N -3.96 0.00 0.15 4.11 1.01 -1.26 -0.33 121.20 120.92 2k14 s ILE 71 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2k14 s ILE 71 Cb 0.02 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 2k14 s ILE 71 CO 0.01 -0.01 -0.05 0.21 0.00 0.00 0.00 174.94 175.10 2k14 s ASN 72 N 0.05 1.43 -0.75 3.58 3.84 -0.75 -4.95 114.94 117.39 2k14 s ASN 72 Ca -0.01 -1.08 -0.28 0.00 0.21 0.00 0.00 52.86 51.71 2k14 s ASN 72 Cb -0.02 0.06 -0.15 0.00 -0.55 0.00 0.00 41.25 40.60 2k14 s ASN 72 CO 0.00 -0.46 2.54 -3.20 -2.79 0.00 0.00 177.10 173.19 2k14 n ASN 73 N -0.19 1.27 -0.16 -4.21 5.15 -1.26 -0.84 115.26 115.03 2k14 n ASN 73 Ca -0.09 -0.23 -0.02 0.00 -0.60 0.00 0.00 54.58 53.64 2k14 n ASN 73 Cb 0.62 -1.26 -0.01 0.00 -0.53 0.00 0.00 39.78 38.60 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 0.36 2.59 8.20 0.00 -1.26 -4.95 105.19 116.37 2k14 n GLY 74 Ca 0.51 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.52 1.01 0.44 1.61 1.01 -0.02 -2.56 120.40 120.37 2k14 s VAL 75 Ca 0.00 -2.64 -0.23 0.00 0.00 0.00 0.00 61.98 59.11 2k14 s VAL 75 Cb 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 2k14 s VAL 75 CO 0.00 -1.04 1.10 -0.76 0.00 0.00 0.00 175.10 174.40 2k14 s LEU 76 N 0.16 4.03 -0.23 3.92 1.02 -0.45 -1.81 118.68 125.33 2k14 s LEU 76 Ca 0.23 2.14 -0.05 0.00 0.02 0.00 0.00 54.13 56.47 2k14 s LEU 76 Cb -0.13 -4.28 -0.02 0.00 0.02 0.00 0.00 46.19 41.79 2k14 s LEU 76 CO -0.08 -0.74 0.01 -0.44 0.02 0.00 0.00 176.35 175.11 2k14 s SER 77 N -1.55 4.69 0.22 2.29 0.01 0.55 -1.10 113.70 118.81 2k14 s SER 77 Ca 0.62 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.62 2k14 s SER 77 Cb -0.24 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.12 2k14 s SER 77 CO 0.29 -0.01 0.01 0.68 0.41 0.00 0.00 173.24 174.62 2k14 s VAL 78 N 1.45 0.89 -0.10 3.43 -7.23 -0.22 -1.34 120.40 117.28 2k14 s VAL 78 Ca 0.05 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.05 2k14 s VAL 78 Cb -0.15 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.52 2k14 s VAL 78 CO 0.00 -0.34 0.40 0.28 -0.31 0.00 0.00 175.10 175.13 2k14 s THR 79 N -3.52 0.02 0.00 5.32 -1.32 -1.11 -1.12 115.64 113.91 2k14 s THR 79 Ca 0.28 -0.14 -0.30 0.00 -1.21 0.00 0.00 61.69 60.31 2k14 s THR 79 Cb 0.06 -0.62 -0.07 0.00 -1.51 0.00 0.00 72.50 70.37 2k14 s THR 79 CO 0.08 -0.08 1.67 -2.16 -2.21 0.00 0.00 174.62 171.92 2k14 s PRO 80 N -0.35 4.19 -0.08 7.08 0.04 -1.26 -1.33 135.00 143.29 2k14 s PRO 80 Ca -0.05 2.27 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 2k14 s PRO 80 Cb -0.03 -3.84 -0.26 0.00 0.04 0.00 0.00 34.50 30.41 2k14 s PRO 80 CO 0.02 -0.80 0.53 1.25 0.04 0.00 0.00 177.00 178.04 2k14 h HIS 81 N 9.09 0.41 -7.00 0.56 2.76 -1.30 -3.46 115.15 116.21 2k14 h HIS 81 Ca -0.41 -0.30 -0.26 0.00 -2.20 0.00 0.00 60.37 57.19 2k14 h HIS 81 Cb 1.19 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 2k14 h HIS 81 CO 0.85 1.57 -0.46 -1.91 -1.30 0.00 0.00 177.93 176.67 2k14 n GLU 82 N -3.40 -0.68 -1.24 5.26 4.07 -0.57 -4.93 120.64 119.15 2k14 n GLU 82 Ca -0.26 -0.17 -0.30 0.00 -0.06 0.00 0.00 57.16 56.37 2k14 n GLU 82 Cb 1.05 -0.63 0.12 0.00 -0.06 0.00 0.00 31.44 31.93 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 -5.65 1.65 0.00 5.31 0.04 -1.26 -5.04 135.00 130.04 2k14 s PRO 83 Ca 0.18 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2k14 s PRO 83 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2k14 s PRO 83 CO 0.43 -2.00 0.41 0.44 0.04 0.00 0.00 177.00 176.32