#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 0.49 0.23 1.61 4.64 -2.06 -1.60 113.55 116.86 2k14 h SER 2 Ca 0.00 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2k14 h SER 2 Cb 0.00 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2k14 h SER 2 CO 0.00 0.28 -0.13 0.45 -0.87 0.00 0.00 176.83 176.56 2k14 h HIS 3 N 0.53 0.00 -0.23 4.77 -0.00 -2.05 -0.37 115.15 117.80 2k14 h HIS 3 Ca 0.33 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.51 2k14 h HIS 3 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 2k14 h HIS 3 CO -0.00 0.13 -0.63 0.52 -0.00 0.00 0.00 177.93 177.95 2k14 h MET 4 N 0.00 0.82 -0.59 2.45 0.00 -1.72 -1.29 114.93 114.59 2k14 h MET 4 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 59.70 59.03 2k14 h MET 4 Cb 0.29 0.09 -0.02 0.00 0.00 0.00 0.00 31.60 31.95 2k14 h MET 4 CO 0.02 1.19 -0.02 -0.07 0.00 0.00 0.00 176.91 178.03 2k14 h LEU 5 N 0.60 1.04 -0.93 1.22 3.38 -1.37 -1.24 115.31 118.02 2k14 h LEU 5 Ca -0.01 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 2k14 h LEU 5 Cb 1.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2k14 h LEU 5 CO 0.13 1.10 0.24 -0.33 0.09 0.00 0.00 178.44 179.67 2k14 h GLU 6 N 0.95 1.01 -0.66 1.13 5.08 -1.10 -1.05 114.58 119.94 2k14 h GLU 6 Ca 0.17 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2k14 h GLU 6 Cb 0.58 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2k14 h GLU 6 CO 0.03 0.85 0.27 0.77 -1.00 0.00 0.00 179.01 179.94 2k14 h SER 7 N 0.99 0.91 -0.56 1.42 0.02 -0.97 -0.80 113.55 114.55 2k14 h SER 7 Ca 0.22 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2k14 h SER 7 Cb 0.24 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2k14 h SER 7 CO -0.01 0.83 0.12 0.28 -1.14 0.00 0.00 176.83 176.90 2k14 h SER 8 N 0.93 0.91 -0.54 3.07 0.02 -0.95 -0.43 113.55 116.56 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 0.20 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2k14 h SER 8 CO -0.02 0.90 0.05 0.00 -1.14 0.00 0.00 176.83 176.62 2k14 h ALA 9 N 1.21 0.73 -0.55 3.77 0.00 -1.00 -0.72 119.26 122.71 2k14 h ALA 9 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2k14 h ALA 9 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k14 h ALA 9 CO 0.01 0.50 0.06 1.49 0.00 0.00 0.00 179.25 181.31 2k14 h GLU 10 N 0.81 0.93 -0.34 0.00 4.57 -0.93 -0.98 114.58 118.63 2k14 h GLU 10 Ca 0.16 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 2k14 h GLU 10 Cb 0.46 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2k14 h GLU 10 CO 0.02 0.91 -0.07 0.93 -1.18 0.00 0.00 179.01 179.62 2k14 h GLU 11 N 0.82 0.57 -0.52 1.92 5.08 -1.03 -0.12 114.58 121.30 2k14 h GLU 11 Ca 0.16 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2k14 h GLU 11 Cb 0.45 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2k14 h GLU 11 CO 0.02 0.64 -0.05 0.77 -1.00 0.00 0.00 179.01 179.39 2k14 h SER 12 N 0.53 0.90 -0.18 1.42 0.02 -0.91 -2.06 113.55 113.27 2k14 h SER 12 Ca 0.10 -0.26 -0.14 0.00 -0.84 0.00 0.00 61.79 60.65 2k14 h SER 12 Cb 0.45 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2k14 h SER 12 CO 0.02 0.99 -0.38 0.25 -1.14 0.00 0.00 176.83 176.57 2k14 h LEU 13 N 0.84 0.76 -1.40 5.07 5.85 -0.81 -1.18 115.31 124.43 2k14 h LEU 13 Ca 0.15 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2k14 h LEU 13 Cb 0.57 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2k14 h LEU 13 CO 0.03 1.06 0.44 0.00 -0.34 0.00 0.00 178.44 179.63 2k14 h ALA 14 N 0.98 1.67 -0.21 1.25 0.00 -0.92 0.16 119.26 122.19 2k14 h ALA 14 Ca 0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 2k14 h ALA 14 Cb 0.92 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k14 h ALA 14 CO 0.08 0.24 -0.59 -0.92 0.00 0.00 0.00 179.25 178.07 2k14 h TYR 15 N 0.76 1.00 -0.92 0.00 3.20 -0.99 -0.53 116.97 119.48 2k14 h TYR 15 Ca 0.28 -0.39 0.01 0.00 3.14 0.00 0.00 58.73 61.76 2k14 h TYR 15 Cb 0.15 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 2k14 h TYR 15 CO -0.00 1.21 0.61 0.00 -1.64 0.00 0.00 178.16 178.34 2k14 h ARG 16 N 0.51 1.22 -0.41 1.82 3.08 -0.89 -1.26 114.38 118.45 2k14 h ARG 16 Ca -0.01 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2k14 h ARG 16 Cb 1.21 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2k14 h ARG 16 CO 0.13 0.81 -0.09 1.49 -1.07 0.00 0.00 179.97 181.23 2k14 h GLU 17 N 1.25 0.78 0.00 0.04 4.81 -0.91 -3.11 114.58 117.45 2k14 h GLU 17 Ca 0.34 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2k14 h GLU 17 Cb -0.14 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 2k14 h GLU 17 CO -0.07 0.91 -0.12 0.22 -0.73 0.00 0.00 179.01 179.21 2k14 h ASP 18 N 0.60 0.00 0.01 1.04 3.58 -0.71 -1.37 116.42 119.57 2k14 h ASP 18 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 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 0.12 -0.02 -0.78 -2.88 0.00 0.00 179.24 175.72 2k14 h ASP 19 N 0.00 0.04 0.28 2.28 3.58 -1.16 -2.10 116.42 119.34 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 0.28 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k14 h ASP 19 CO 0.02 0.07 0.00 -0.07 -2.88 0.00 0.00 179.24 176.37 2k14 h LEU 20 N 0.05 0.00 -0.20 2.28 3.38 -1.30 -2.37 115.31 117.15 2k14 h LEU 20 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k14 h LEU 20 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k14 h LEU 20 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.39 2k14 n ARG 21 N -2.31 0.02 -0.70 1.13 0.63 -0.79 -1.38 116.66 113.27 2k14 n ARG 21 Ca -0.00 0.45 0.08 0.00 -0.92 0.00 0.00 57.85 57.46 2k14 n ARG 21 Cb 0.11 -1.57 0.35 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 -1.06 3.14 3.26 5.14 0.00 -0.89 -4.58 105.19 110.20 2k14 n GLY 22 Ca 0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.46 1.08 0.06 1.61 0.52 -0.48 -5.08 118.95 114.21 2k14 s ARG 23 Ca 0.50 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 2k14 s ARG 23 Cb 0.37 -0.65 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 2k14 s ARG 23 CO 0.17 0.08 0.19 -1.17 0.02 0.00 0.00 175.30 174.58 2k14 s LEU 24 N -3.18 4.26 0.00 2.53 2.96 -1.26 -2.38 118.68 121.62 2k14 s LEU 24 Ca 0.17 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2k14 s LEU 24 Cb 0.02 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 2k14 s LEU 24 CO 0.01 0.17 0.13 0.61 -1.32 0.00 0.00 176.35 175.95 2k14 n GLY 25 N 0.33 3.36 2.76 7.98 0.00 0.90 -1.19 105.19 119.33 2k14 n GLY 25 Ca -0.06 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.43 0.04 0.13 1.61 2.47 0.54 -1.30 119.74 120.80 2k14 s LYS 26 Ca 0.13 0.39 -0.30 0.00 -1.56 0.00 0.00 55.97 54.63 2k14 s LYS 26 Cb 0.00 -0.68 -0.07 0.00 -1.46 0.00 0.00 37.83 35.63 2k14 s LYS 26 CO 0.09 -0.42 1.14 0.08 0.16 0.00 0.00 175.35 176.40 2k14 s VAL 27 N 2.26 3.94 0.00 4.02 1.01 -0.95 -1.31 120.40 129.36 2k14 s VAL 27 Ca 0.04 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2k14 s VAL 27 Cb -0.13 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2k14 s VAL 27 CO -0.07 0.21 0.00 2.30 0.00 0.00 0.00 175.10 177.54 2k14 n ILE 28 N 2.96 0.00 -3.72 2.22 -5.35 -0.15 -1.25 119.36 114.07 2k14 n ILE 28 Ca 0.05 -0.33 -0.15 0.00 -0.27 0.00 0.00 62.75 62.05 2k14 n ILE 28 Cb 0.46 0.90 -0.15 0.00 -1.74 0.00 0.00 39.64 39.11 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 -0.92 -0.12 0.40 7.28 2.01 -1.15 -4.91 115.64 118.22 2k14 s THR 29 Ca 0.00 0.26 -0.26 0.00 0.31 0.00 0.00 61.69 62.00 2k14 s THR 29 Cb 0.00 -0.23 -0.11 0.00 0.01 0.00 0.00 72.50 72.17 2k14 s THR 29 CO 0.00 0.11 1.24 0.00 -0.69 0.00 0.00 174.62 175.28 2k14 n ALA 30 N 4.66 1.16 -3.94 7.40 0.00 -1.26 -1.25 120.51 127.26 2k14 n ALA 30 Ca -0.18 0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 2k14 n ALA 30 Cb 0.51 -2.24 -0.14 0.00 0.00 0.00 0.00 19.45 17.58 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 -1.18 2.62 1.02 0.00 1.01 -0.11 -3.60 120.40 120.18 2k14 s VAL 31 Ca 0.60 -3.03 -0.14 0.00 0.00 0.00 0.00 61.98 59.41 2k14 s VAL 31 Cb -0.53 -2.84 0.20 0.00 0.00 0.00 0.00 36.38 33.21 2k14 s VAL 31 CO 0.59 -0.76 1.11 -2.16 0.00 0.00 0.00 175.10 173.88 2k14 s PRO 32 N 0.04 0.22 0.67 2.72 0.04 -1.26 -0.52 135.00 136.91 2k14 s PRO 32 Ca 0.15 0.35 0.38 0.00 0.04 0.00 0.00 61.00 61.92 2k14 s PRO 32 Cb -0.24 -1.73 2.05 0.00 0.04 0.00 0.00 34.50 34.63 2k14 s PRO 32 CO -0.02 -2.83 2.16 -0.39 0.04 0.00 0.00 177.00 175.96 2k14 h VAL 33 N -1.96 0.02 -0.03 -0.36 -1.51 -1.84 -2.56 116.25 108.01 2k14 h VAL 33 Ca -0.53 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 64.77 2k14 h VAL 33 Cb 1.33 0.84 -0.31 0.00 -2.13 0.00 0.00 31.29 31.02 2k14 h VAL 33 CO 0.55 0.00 -0.82 -0.67 -1.23 0.00 0.00 177.57 175.39 2k14 n ASP 34 N -3.02 0.43 -0.17 4.19 2.03 -1.26 -4.34 116.55 114.41 2k14 n ASP 34 Ca -0.02 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.28 2k14 n ASP 34 Cb 0.22 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.25 4.85 3.18 0.27 0.00 -0.96 -5.08 105.19 107.68 2k14 n GLY 35 Ca -0.04 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.35 1.39 0.00 1.61 0.40 -1.26 -4.06 117.98 114.71 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 0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.39 2k14 n GLY 37 N 1.85 4.66 3.12 4.36 0.00 -0.24 -4.61 105.19 114.33 2k14 n GLY 37 Ca -0.18 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 3.81 0.60 0.07 1.61 2.02 -0.38 -0.75 118.70 125.67 2k14 s GLU 38 Ca 0.00 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.15 2k14 s GLU 38 Cb 0.00 0.24 -0.00 0.00 0.10 0.00 0.00 34.13 34.46 2k14 s GLU 38 CO 0.00 -0.15 0.17 0.54 0.02 0.00 0.00 175.26 175.83 2k14 s VAL 39 N -2.68 0.14 0.04 2.63 0.11 -0.16 -0.98 120.40 119.50 2k14 s VAL 39 Ca -0.04 -1.13 0.05 0.00 -2.93 0.00 0.00 61.98 57.93 2k14 s VAL 39 Cb -0.01 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 2k14 s VAL 39 CO -0.05 -0.62 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.25 2k14 s VAL 40 N -3.37 1.23 0.48 2.04 1.01 -0.43 -0.75 120.40 120.62 2k14 s VAL 40 Ca 0.01 -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 35.24 2k14 s VAL 40 CO -0.08 0.07 1.11 -0.63 0.00 0.00 0.00 175.10 175.56 2k14 s ILE 41 N -0.80 3.38 0.06 2.22 -1.09 -1.26 -0.34 121.20 123.37 2k14 s ILE 41 Ca 0.03 0.94 0.23 0.00 -2.23 0.00 0.00 60.65 59.62 2k14 s ILE 41 Cb -0.08 -3.42 0.23 0.00 -1.58 0.00 0.00 42.46 37.60 2k14 s ILE 41 CO 0.01 -0.11 1.66 -0.33 -1.23 0.00 0.00 174.94 174.94 2k14 h GLU 42 N 1.72 0.00 -1.98 2.79 4.39 -1.46 -3.07 114.58 116.97 2k14 h GLU 42 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 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 -1.26 1.95 0.48 -3.84 0.00 -1.26 -4.76 105.19 96.50 2k14 n GLY 43 Ca -0.02 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.28 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 1.24 0.22 0.00 -0.61 -2.65 -1.88 0.73 117.51 114.56 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 0.73 0.35 0.00 0.00 -2.05 0.00 0.00 36.82 35.85 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 -0.85 0.79 3.67 4.60 0.00 0.11 -5.14 105.19 108.37 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 1.79 -0.03 2.61 -4.23 -0.38 -5.10 115.64 110.31 2k14 s THR 47 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 2k14 s THR 47 Cb 0.00 -2.56 -0.00 0.00 1.34 0.00 0.00 72.50 71.28 2k14 s THR 47 CO 0.00 0.00 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.32 2k14 s ILE 48 N -3.10 1.11 0.56 2.99 1.01 -1.26 -4.90 121.20 117.61 2k14 s ILE 48 Ca 0.69 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 2k14 s ILE 48 Cb -0.12 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 2k14 s ILE 48 CO 0.56 0.33 1.20 -0.44 0.00 0.00 0.00 174.94 176.59 2k14 s SER 49 N 0.07 5.44 0.05 3.58 0.01 -1.26 -4.46 113.70 117.14 2k14 s SER 49 Ca -0.03 2.36 -0.04 0.00 1.31 0.00 0.00 55.95 59.56 2k14 s SER 49 Cb -0.10 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 2k14 s SER 49 CO 0.01 -1.42 0.05 -0.54 0.41 0.00 0.00 173.24 171.76 2k14 s LYS 50 N -3.20 0.64 0.60 12.44 -0.14 0.08 -5.00 119.74 125.16 2k14 s LYS 50 Ca 0.74 -1.00 -0.17 0.00 -1.36 0.00 0.00 55.97 54.18 2k14 s LYS 50 Cb -0.30 0.24 -0.03 0.00 -1.68 0.00 0.00 37.83 36.06 2k14 s LYS 50 CO 0.33 -0.15 1.09 -1.12 -0.76 0.00 0.00 175.35 174.74 2k14 s SER 51 N -2.62 5.54 0.02 2.83 0.01 -1.00 -0.99 113.70 117.49 2k14 s SER 51 Ca 0.02 1.98 -0.05 0.00 1.31 0.00 0.00 55.95 59.21 2k14 s SER 51 Cb 0.04 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2k14 s SER 51 CO -0.08 -1.34 0.08 0.00 0.41 0.00 0.00 173.24 172.31 2k14 s ALA 52 N -2.21 -0.15 0.11 1.44 0.00 0.07 -1.31 121.76 119.71 2k14 s ALA 52 Ca 0.67 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.34 2k14 s ALA 52 Cb -0.20 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2k14 s ALA 52 CO 0.35 -0.22 -0.15 0.14 0.00 0.00 0.00 175.76 175.88 2k14 s VAL 53 N -1.69 1.32 -0.58 0.00 -7.23 -0.06 -1.08 120.40 111.08 2k14 s VAL 53 Ca -0.13 -1.61 -0.24 0.00 -1.81 0.00 0.00 61.98 58.19 2k14 s VAL 53 Cb -0.07 -1.43 0.05 0.00 0.56 0.00 0.00 36.38 35.49 2k14 s VAL 53 CO -0.00 -0.34 0.97 -0.55 -0.31 0.00 0.00 175.10 174.87 2k14 s SER 54 N -2.24 6.30 0.47 4.85 0.15 -1.26 -1.07 113.70 120.90 2k14 s SER 54 Ca 0.06 -0.46 0.22 0.00 0.70 0.00 0.00 55.95 56.47 2k14 s SER 54 Cb -0.07 -2.44 1.17 0.00 -1.71 0.00 0.00 66.02 62.97 2k14 s SER 54 CO 0.03 -1.31 1.98 0.15 1.20 0.00 0.00 173.24 175.29 2k14 h PHE 55 N 9.41 0.00 -0.37 3.44 3.57 -1.38 -3.16 116.94 128.45 2k14 h PHE 55 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 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 0.94 0.20 0.00 -3.47 -2.23 0.00 0.00 178.31 173.74 2k14 n ASP 56 N -3.81 3.90 -3.95 0.41 2.03 -1.26 -4.98 116.55 108.90 2k14 n ASP 56 Ca -0.02 -2.63 -0.27 0.00 0.52 0.00 0.00 54.79 52.39 2k14 n ASP 56 Cb 0.30 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.13 -1.45 -4.63 1.67 4.13 -1.19 -5.01 115.26 108.90 2k14 n ASN 57 Ca 0.20 -0.95 -0.29 0.00 1.68 0.00 0.00 54.58 55.22 2k14 n ASN 57 Cb 0.79 -3.27 -0.09 0.00 -1.54 0.00 0.00 39.78 35.67 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 -6.53 2.32 -0.83 3.52 -1.52 -1.26 -4.72 119.66 110.65 2k14 s GLN 58 Ca 0.20 -0.99 -0.22 0.00 -1.95 0.00 0.00 55.36 52.40 2k14 s GLN 58 Cb -0.10 -2.39 0.08 0.00 -0.22 0.00 0.00 33.01 30.37 2k14 s GLN 58 CO 0.88 0.51 1.17 -1.14 -0.25 0.00 0.00 175.29 176.45 2k14 s GLN 59 N -2.41 3.36 -1.20 2.91 0.74 -1.26 -3.34 119.66 118.47 2k14 s GLN 59 Ca 0.24 -1.06 -0.16 0.00 0.05 0.00 0.00 55.36 54.44 2k14 s GLN 59 Cb -0.11 -4.66 0.13 0.00 1.10 0.00 0.00 33.01 29.48 2k14 s GLN 59 CO 0.16 -1.95 1.49 0.42 -0.55 0.00 0.00 175.29 174.87 2k14 s ILE 60 N 4.16 4.67 1.02 -2.34 1.01 0.33 -4.94 121.20 125.11 2k14 s ILE 60 Ca 0.32 -2.21 -0.11 0.00 0.00 0.00 0.00 60.65 58.65 2k14 s ILE 60 Cb -0.08 -4.99 0.20 0.00 0.01 0.00 0.00 42.46 37.60 2k14 s ILE 60 CO 0.01 -1.75 1.09 -0.44 0.00 0.00 0.00 174.94 173.85 2k14 s SER 61 N 3.45 2.10 0.32 3.58 0.01 -1.26 -0.93 113.70 120.95 2k14 s SER 61 Ca 0.45 1.87 -0.27 0.00 1.31 0.00 0.00 55.95 59.31 2k14 s SER 61 Cb -0.01 -2.44 -0.13 0.00 0.21 0.00 0.00 66.02 63.64 2k14 s SER 61 CO 0.01 -3.57 1.02 0.00 0.41 0.00 0.00 173.24 171.12 2k14 n TYR 62 N -4.52 1.31 -2.77 2.43 9.36 -1.26 -4.01 117.16 117.71 2k14 n TYR 62 Ca 0.08 0.67 -0.07 0.00 3.32 0.00 0.00 57.90 61.90 2k14 n TYR 62 Cb 0.53 -2.26 0.02 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 1.18 0.48 3.32 2.98 0.00 -0.38 -5.02 105.19 107.75 2k14 n GLY 63 Ca 0.09 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.09 1.66 -0.16 2.61 -1.32 -1.26 -4.97 115.64 109.12 2k14 s THR 64 Ca 0.15 -2.05 -0.19 0.00 -1.21 0.00 0.00 61.69 58.39 2k14 s THR 64 Cb -0.07 -1.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.99 2k14 s THR 64 CO 0.21 -0.50 0.55 -0.89 -2.21 0.00 0.00 174.62 171.78 2k14 s THR 65 N -2.62 5.11 0.04 5.08 2.01 -1.26 -2.24 115.64 121.75 2k14 s THR 65 Ca 0.18 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.28 2k14 s THR 65 Cb -0.02 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2k14 s THR 65 CO 0.06 0.22 -0.13 0.68 -0.69 0.00 0.00 174.62 174.76 2k14 s VAL 66 N 1.26 1.03 -0.20 3.82 -7.23 -0.42 -1.58 120.40 117.08 2k14 s VAL 66 Ca 0.27 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 59.36 2k14 s VAL 66 Cb -0.16 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.79 2k14 s VAL 66 CO 0.11 -0.01 0.24 -0.22 -0.31 0.00 0.00 175.10 174.90 2k14 s LEU 67 N -1.11 4.18 -0.03 1.32 2.96 0.05 -0.07 118.68 125.99 2k14 s LEU 67 Ca 0.01 0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.94 2k14 s LEU 67 Cb -0.08 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2k14 s LEU 67 CO 0.01 0.07 1.28 -0.69 -1.32 0.00 0.00 176.35 175.70 2k14 s VAL 68 N 0.81 4.03 0.00 1.68 1.01 -1.00 -1.74 120.40 125.19 2k14 s VAL 68 Ca 0.12 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.48 2k14 s VAL 68 Cb -0.13 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2k14 s VAL 68 CO 0.04 0.00 0.00 1.33 0.00 0.00 0.00 175.10 176.47 2k14 n VAL 69 N 4.62 0.00 -3.83 2.92 0.24 0.16 -4.52 118.33 117.92 2k14 n VAL 69 Ca 0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.32 2k14 n VAL 69 Cb 0.45 0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 33.18 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 -2.00 -0.06 -0.09 -1.34 -1.08 -0.98 -5.03 116.67 106.09 2k14 s ASP 70 Ca 0.00 -0.63 -0.08 0.00 -0.52 0.00 0.00 52.55 51.31 2k14 s ASP 70 Cb 0.00 0.46 0.02 0.00 -1.46 0.00 0.00 42.92 41.94 2k14 s ASP 70 CO 0.00 -0.89 0.24 -0.63 0.52 0.00 0.00 175.17 174.41 2k14 s ILE 71 N -3.89 0.00 0.15 4.11 1.01 -1.26 -0.30 121.20 121.02 2k14 s ILE 71 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.77 2k14 s ILE 71 Cb 0.02 -0.34 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 2k14 s ILE 71 CO -0.05 -0.00 -0.04 0.21 0.00 0.00 0.00 174.94 175.06 2k14 s ASN 72 N 0.11 1.39 -0.76 3.58 3.84 -0.73 -4.96 114.94 117.41 2k14 s ASN 72 Ca -0.00 -1.10 -0.28 0.00 0.21 0.00 0.00 52.86 51.70 2k14 s ASN 72 Cb -0.02 0.07 -0.15 0.00 -0.55 0.00 0.00 41.25 40.60 2k14 s ASN 72 CO 0.00 -0.48 2.54 -3.20 -2.79 0.00 0.00 177.10 173.17 2k14 n ASN 73 N -0.20 1.19 -0.06 -4.21 5.15 -1.26 -0.85 115.26 115.03 2k14 n ASN 73 Ca -0.09 -0.23 -0.01 0.00 -0.60 0.00 0.00 54.58 53.65 2k14 n ASN 73 Cb 0.62 -1.24 -0.00 0.00 -0.53 0.00 0.00 39.78 38.63 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 6.25 0.25 2.60 8.20 0.00 -1.26 -4.95 105.19 116.28 2k14 n GLY 74 Ca 0.52 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.43 1.02 0.47 1.61 1.01 -0.03 -2.37 120.40 120.69 2k14 s VAL 75 Ca 0.00 -2.55 -0.21 0.00 0.00 0.00 0.00 61.98 59.22 2k14 s VAL 75 Cb 0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 2k14 s VAL 75 CO 0.00 -1.00 1.04 -0.76 0.00 0.00 0.00 175.10 174.37 2k14 s LEU 76 N 0.27 3.88 -0.24 3.92 1.02 -0.43 -1.77 118.68 125.34 2k14 s LEU 76 Ca 0.22 1.93 -0.06 0.00 0.02 0.00 0.00 54.13 56.25 2k14 s LEU 76 Cb -0.16 -4.52 -0.02 0.00 0.02 0.00 0.00 46.19 41.51 2k14 s LEU 76 CO -0.06 -0.74 0.02 -0.44 0.02 0.00 0.00 176.35 175.15 2k14 s SER 77 N -1.94 4.77 0.20 2.29 0.01 0.59 -0.88 113.70 118.74 2k14 s SER 77 Ca 0.66 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.69 2k14 s SER 77 Cb -0.17 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 2k14 s SER 77 CO 0.20 -0.03 -0.08 0.68 0.41 0.00 0.00 173.24 174.43 2k14 s VAL 78 N 1.55 1.31 -0.04 3.43 -7.23 -0.23 -0.67 120.40 118.53 2k14 s VAL 78 Ca 0.06 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.09 2k14 s VAL 78 Cb -0.15 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.70 2k14 s VAL 78 CO 0.01 -0.54 0.12 0.28 -0.31 0.00 0.00 175.10 174.65 2k14 s THR 79 N -3.24 0.02 -0.86 5.32 -1.32 -0.71 -0.98 115.64 113.86 2k14 s THR 79 Ca 0.23 -0.16 -0.25 0.00 -1.21 0.00 0.00 61.69 60.30 2k14 s THR 79 Cb 0.03 -0.23 -0.02 0.00 -1.51 0.00 0.00 72.50 70.77 2k14 s THR 79 CO 0.05 -0.09 1.82 -2.16 -2.21 0.00 0.00 174.62 172.04 2k14 s PRO 80 N -0.24 2.76 0.33 7.08 0.04 -1.26 -0.77 135.00 142.93 2k14 s PRO 80 Ca -0.03 -0.24 0.01 0.00 0.04 0.00 0.00 61.00 60.77 2k14 s PRO 80 Cb -0.02 -4.94 0.57 0.00 0.04 0.00 0.00 34.50 30.15 2k14 s PRO 80 CO 0.00 -3.02 1.99 1.25 0.04 0.00 0.00 177.00 177.26 2k14 h HIS 81 N 11.70 0.89 -6.90 0.56 2.76 -1.81 -3.48 115.15 118.86 2k14 h HIS 81 Ca 0.03 0.02 -0.53 0.00 -2.20 0.00 0.00 60.37 57.69 2k14 h HIS 81 Cb 1.04 -0.30 -0.11 0.00 1.55 0.00 0.00 27.41 29.59 2k14 h HIS 81 CO 1.19 0.55 -0.85 -1.91 -1.30 0.00 0.00 177.93 175.61 2k14 n GLU 82 N -4.43 -0.68 -1.47 5.26 2.13 -0.61 -4.93 120.64 115.90 2k14 n GLU 82 Ca 0.08 0.03 -0.32 0.00 0.66 0.00 0.00 57.16 57.61 2k14 n GLU 82 Cb 0.05 -2.61 0.08 0.00 0.27 0.00 0.00 31.44 29.23 2k14 n GLU 82 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k14 s PRO 83 N -6.95 2.42 0.00 5.31 0.04 -1.26 -5.05 135.00 129.51 2k14 s PRO 83 Ca 0.18 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2k14 s PRO 83 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2k14 s PRO 83 CO 0.85 -1.54 0.03 -0.89 0.04 0.00 0.00 177.00 175.50