#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 0.02 0.02 1.61 4.64 -2.06 -2.40 113.55 115.38 2k14 h SER 2 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2k14 h SER 2 Cb 0.00 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2k14 h SER 2 CO 0.00 0.01 -0.10 -0.74 -0.87 0.00 0.00 176.83 175.13 2k14 h HIS 3 N 0.02 0.19 0.00 4.77 2.76 -2.06 -0.56 115.15 120.28 2k14 h HIS 3 Ca 0.15 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2k14 h HIS 3 Cb 0.58 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2k14 h HIS 3 CO -0.00 0.29 0.00 -1.33 -1.30 0.00 0.00 177.93 175.59 2k14 n MET 4 N -4.32 0.06 -0.03 5.26 0.00 -0.90 -1.70 117.12 115.48 2k14 n MET 4 Ca -0.01 0.20 -0.06 0.00 0.00 0.00 0.00 57.70 57.83 2k14 n MET 4 Cb 0.23 -1.59 -0.13 0.00 0.00 0.00 0.00 33.22 31.72 2k14 n MET 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2k14 n LEU 5 N -1.70 0.54 -0.11 4.03 4.77 -0.33 -3.65 117.00 120.54 2k14 n LEU 5 Ca 0.05 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 2k14 n LEU 5 Cb 0.26 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2k14 n LEU 5 CO 0.20 0.34 0.68 -0.33 -1.33 0.00 0.00 177.39 176.95 2k14 h GLU 6 N 0.00 0.68 -0.64 3.23 5.08 -0.99 -2.38 114.58 119.56 2k14 h GLU 6 Ca -0.32 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 57.69 2k14 h GLU 6 Cb 1.91 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.11 2k14 h GLU 6 CO 0.05 0.87 0.15 0.66 -1.00 0.00 0.00 179.01 179.74 2k14 h SER 7 N 0.46 0.95 -0.22 1.42 4.64 -1.50 -0.74 113.55 118.55 2k14 h SER 7 Ca 0.08 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 2k14 h SER 7 Cb 0.65 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2k14 h SER 7 CO 0.04 0.93 -0.23 0.77 -0.87 0.00 0.00 176.83 177.47 2k14 h SER 8 N 0.96 0.70 -0.46 4.97 4.64 -1.63 -0.66 113.55 122.08 2k14 h SER 8 Ca 0.20 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 2k14 h SER 8 Cb 0.35 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2k14 h SER 8 CO 0.00 0.91 0.08 0.00 -0.87 0.00 0.00 176.83 176.95 2k14 h ALA 9 N 1.14 0.60 -0.42 5.18 0.00 -1.10 -0.19 119.26 124.48 2k14 h ALA 9 Ca 0.09 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2k14 h ALA 9 Cb 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k14 h ALA 9 CO 0.05 0.32 -0.15 0.93 0.00 0.00 0.00 179.25 180.41 2k14 h GLU 10 N 0.62 0.77 -0.75 0.00 4.39 -1.09 -1.02 114.58 117.51 2k14 h GLU 10 Ca 0.14 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 2k14 h GLU 10 Cb 0.38 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2k14 h GLU 10 CO 0.01 0.88 0.26 1.49 -1.16 0.00 0.00 179.01 180.49 2k14 h GLU 11 N 0.69 1.14 -0.61 2.33 4.81 -1.04 -0.63 114.58 121.27 2k14 h GLU 11 Ca 0.11 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 2k14 h GLU 11 Cb 0.64 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2k14 h GLU 11 CO 0.05 0.96 0.17 0.77 -0.73 0.00 0.00 179.01 180.23 2k14 h SER 12 N 1.10 0.87 -0.43 1.04 0.02 -0.79 -1.45 113.55 113.92 2k14 h SER 12 Ca 0.24 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 2k14 h SER 12 Cb 0.27 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2k14 h SER 12 CO -0.01 0.83 -0.14 0.25 -1.14 0.00 0.00 176.83 176.62 2k14 h LEU 13 N 0.91 0.91 -1.12 5.07 7.12 -0.92 -0.85 115.31 126.42 2k14 h LEU 13 Ca 0.20 -0.30 -0.01 0.00 0.13 0.00 0.00 57.88 57.89 2k14 h LEU 13 Cb 0.29 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.13 2k14 h LEU 13 CO -0.01 1.05 0.41 0.00 -0.13 0.00 0.00 178.44 179.76 2k14 h ALA 14 N 1.03 1.33 -0.46 1.25 0.00 -0.79 0.04 119.26 121.65 2k14 h ALA 14 Ca 0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2k14 h ALA 14 Cb 0.68 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2k14 h ALA 14 CO 0.05 0.55 -0.18 1.88 0.00 0.00 0.00 179.25 181.55 2k14 h TYR 15 N 1.03 1.02 -0.81 0.00 0.05 -0.98 -0.36 116.97 116.93 2k14 h TYR 15 Ca 0.26 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2k14 h TYR 15 Cb 0.02 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 2k14 h TYR 15 CO 0.01 1.01 0.39 0.00 -1.05 0.00 0.00 178.16 178.52 2k14 h ARG 16 N 0.80 1.16 -0.47 4.88 3.08 -0.72 -1.75 114.38 121.36 2k14 h ARG 16 Ca 0.11 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2k14 h ARG 16 Cb 0.72 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2k14 h ARG 16 CO 0.06 0.89 -0.08 1.49 -1.07 0.00 0.00 179.97 181.26 2k14 h GLU 17 N 1.16 0.88 0.00 0.04 4.81 -0.89 -3.12 114.58 117.46 2k14 h GLU 17 Ca 0.28 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2k14 h GLU 17 Cb 0.11 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2k14 h GLU 17 CO -0.04 0.96 -0.12 0.22 -0.73 0.00 0.00 179.01 179.30 2k14 h ASP 18 N 0.73 0.00 -0.02 1.04 3.58 -0.74 -1.23 116.42 119.77 2k14 h ASP 18 Ca 0.12 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2k14 h ASP 18 Cb 0.62 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 0.00 -0.78 -2.88 0.00 0.00 179.24 175.75 2k14 h ASP 19 N 0.00 0.07 0.39 2.28 3.58 -1.26 -2.26 116.42 119.22 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 0.29 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k14 h ASP 19 CO 0.02 0.08 0.00 0.18 -2.88 0.00 0.00 179.24 176.64 2k14 n LEU 20 N -4.49 0.65 0.00 2.28 4.77 -0.46 -2.24 117.00 117.50 2k14 n LEU 20 Ca -0.02 0.72 0.02 0.00 -0.03 0.00 0.00 56.01 56.71 2k14 n LEU 20 Cb 0.11 -0.71 0.11 0.00 -2.33 0.00 0.00 43.42 40.60 2k14 n LEU 20 CO 0.35 -0.77 0.58 -1.14 -1.33 0.00 0.00 177.39 175.08 2k14 n ARG 21 N -2.29 0.00 -0.76 3.23 0.63 -0.85 -1.72 116.66 114.91 2k14 n ARG 21 Ca 0.00 0.43 0.08 0.00 -0.92 0.00 0.00 57.85 57.44 2k14 n ARG 21 Cb 0.14 -1.51 0.38 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 -1.04 2.98 3.20 5.14 0.00 -0.95 -4.63 105.19 109.88 2k14 n GLY 22 Ca 0.01 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.41 0.91 0.43 1.61 0.52 -0.70 -5.09 118.95 114.23 2k14 s ARG 23 Ca 0.52 -1.34 -0.07 0.00 -0.52 0.00 0.00 55.73 54.32 2k14 s ARG 23 Cb 0.38 -0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.40 2k14 s ARG 23 CO 0.19 0.03 0.75 -0.51 0.02 0.00 0.00 175.30 175.78 2k14 s LEU 24 N -2.98 3.76 0.00 2.53 2.01 -1.26 -2.58 118.68 120.15 2k14 s LEU 24 Ca 0.12 0.97 0.02 0.00 0.01 0.00 0.00 54.13 55.25 2k14 s LEU 24 Cb 0.03 -3.88 -0.01 0.00 0.01 0.00 0.00 46.19 42.35 2k14 s LEU 24 CO -0.02 -0.46 0.10 0.61 1.01 0.00 0.00 176.35 177.59 2k14 n GLY 25 N -1.74 3.44 2.76 -3.19 0.00 0.80 -1.64 105.19 105.63 2k14 n GLY 25 Ca 0.01 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.36 0.06 0.09 1.61 2.47 0.76 -1.34 119.74 121.03 2k14 s LYS 26 Ca 0.11 0.36 -0.30 0.00 -1.56 0.00 0.00 55.97 54.57 2k14 s LYS 26 Cb 0.00 -0.77 -0.06 0.00 -1.46 0.00 0.00 37.83 35.54 2k14 s LYS 26 CO 0.08 -0.45 1.17 0.08 0.16 0.00 0.00 175.35 176.39 2k14 s VAL 27 N 2.26 3.99 0.00 4.02 1.01 -1.11 -1.26 120.40 129.32 2k14 s VAL 27 Ca 0.04 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2k14 s VAL 27 Cb -0.14 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2k14 s VAL 27 CO -0.07 0.16 0.00 2.30 0.00 0.00 0.00 175.10 177.48 2k14 n ILE 28 N 3.49 0.00 -3.72 2.22 -5.35 -0.12 -1.31 119.36 114.56 2k14 n ILE 28 Ca 0.07 -0.35 -0.15 0.00 -0.27 0.00 0.00 62.75 62.05 2k14 n ILE 28 Cb 0.46 0.89 -0.15 0.00 -1.74 0.00 0.00 39.64 39.10 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 -1.05 -0.12 0.37 7.28 2.01 -1.14 -4.91 115.64 118.08 2k14 s THR 29 Ca 0.00 0.27 -0.27 0.00 0.31 0.00 0.00 61.69 62.00 2k14 s THR 29 Cb 0.00 -0.22 -0.12 0.00 0.01 0.00 0.00 72.50 72.18 2k14 s THR 29 CO 0.00 0.11 1.23 0.00 -0.69 0.00 0.00 174.62 175.27 2k14 n ALA 30 N 4.66 1.03 -3.97 7.40 0.00 -1.26 -1.29 120.51 127.08 2k14 n ALA 30 Ca -0.18 0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 2k14 n ALA 30 Cb 0.51 -2.22 -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 -1.14 2.46 0.99 0.00 1.01 -0.08 -3.59 120.40 120.06 2k14 s VAL 31 Ca 0.58 -2.97 -0.15 0.00 0.00 0.00 0.00 61.98 59.44 2k14 s VAL 31 Cb -0.56 -2.75 0.19 0.00 0.00 0.00 0.00 36.38 33.26 2k14 s VAL 31 CO 0.60 -0.73 1.19 -2.16 0.00 0.00 0.00 175.10 174.01 2k14 s PRO 32 N 0.13 0.45 0.58 2.72 0.04 -1.26 -0.63 135.00 137.03 2k14 s PRO 32 Ca 0.15 -0.03 0.28 0.00 0.04 0.00 0.00 61.00 61.44 2k14 s PRO 32 Cb -0.24 -1.79 1.54 0.00 0.04 0.00 0.00 34.50 34.05 2k14 s PRO 32 CO -0.03 -2.60 2.00 -0.39 0.04 0.00 0.00 177.00 176.02 2k14 h VAL 33 N -1.78 0.47 -0.06 -0.36 -1.51 -1.88 -2.66 116.25 108.48 2k14 h VAL 33 Ca -0.47 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.82 2k14 h VAL 33 Cb 1.29 0.73 -0.35 0.00 -2.13 0.00 0.00 31.29 30.83 2k14 h VAL 33 CO 0.48 0.00 -0.93 -0.67 -1.23 0.00 0.00 177.57 175.22 2k14 n ASP 34 N -3.86 0.74 -0.80 4.19 2.03 -1.26 -4.33 116.55 113.26 2k14 n ASP 34 Ca 0.06 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.36 2k14 n ASP 34 Cb 0.51 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.23 4.47 3.17 0.27 0.00 -1.00 -5.09 105.19 107.25 2k14 n GLY 35 Ca 0.01 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.56 1.39 0.00 1.61 0.40 -1.26 -4.15 117.98 114.41 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 1.87 4.45 3.11 4.36 0.00 -0.20 -4.64 105.19 114.14 2k14 n GLY 37 Ca -0.18 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 3.63 0.58 0.06 1.61 2.02 -0.41 -0.84 118.70 125.35 2k14 s GLU 38 Ca 0.00 -0.74 -0.07 0.00 0.02 0.00 0.00 54.97 54.18 2k14 s GLU 38 Cb 0.00 0.23 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 2k14 s GLU 38 CO 0.00 -0.15 0.14 0.54 0.02 0.00 0.00 175.26 175.82 2k14 s VAL 39 N -2.57 0.14 0.04 2.63 0.11 -0.20 -0.95 120.40 119.61 2k14 s VAL 39 Ca -0.05 -1.17 0.05 0.00 -2.93 0.00 0.00 61.98 57.88 2k14 s VAL 39 Cb -0.01 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 2k14 s VAL 39 CO -0.04 -0.65 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.23 2k14 s VAL 40 N -3.27 1.23 0.50 2.04 1.01 -0.39 -0.65 120.40 120.87 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 0.02 -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 1.10 -0.63 0.00 0.00 0.00 175.10 175.56 2k14 s ILE 41 N -0.80 3.37 0.27 2.22 -1.09 -1.26 -0.17 121.20 123.74 2k14 s ILE 41 Ca 0.03 0.89 0.27 0.00 -2.23 0.00 0.00 60.65 59.61 2k14 s ILE 41 Cb -0.08 -3.38 0.27 0.00 -1.58 0.00 0.00 42.46 37.69 2k14 s ILE 41 CO 0.01 -0.14 1.80 -0.33 -1.23 0.00 0.00 174.94 175.05 2k14 h GLU 42 N 1.53 0.00 -2.00 2.79 4.39 -1.62 -3.07 114.58 116.60 2k14 h GLU 42 Ca -0.50 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 0.58 0.00 -0.00 0.41 -1.16 0.00 0.00 179.01 178.84 2k14 n GLY 43 N -1.22 1.97 0.48 -3.84 0.00 -1.26 -4.76 105.19 96.55 2k14 n GLY 43 Ca -0.02 -0.01 0.27 0.00 0.00 0.00 0.00 46.02 46.26 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 1.28 0.22 0.00 -0.61 -2.65 -1.88 0.65 117.51 114.52 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 0.35 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 -0.86 0.88 3.67 4.60 0.00 0.09 -5.14 105.19 108.43 2k14 n GLY 46 Ca -0.01 0.00 -0.30 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 1.77 -0.03 2.61 -4.23 -0.40 -5.10 115.64 110.26 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 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 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 -3.13 1.12 0.57 2.99 1.01 -1.26 -4.90 121.20 117.59 2k14 s ILE 48 Ca 0.69 -0.56 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 2k14 s ILE 48 Cb -0.11 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 2k14 s ILE 48 CO 0.56 0.33 1.19 -0.44 0.00 0.00 0.00 174.94 176.58 2k14 s SER 49 N 0.01 5.42 0.06 3.58 0.01 -1.26 -4.42 113.70 117.10 2k14 s SER 49 Ca -0.01 2.35 -0.04 0.00 1.31 0.00 0.00 55.95 59.56 2k14 s SER 49 Cb -0.09 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2k14 s SER 49 CO 0.01 -1.43 0.05 -0.54 0.41 0.00 0.00 173.24 171.73 2k14 s LYS 50 N -3.24 0.69 0.57 12.44 -0.14 0.18 -5.00 119.74 125.25 2k14 s LYS 50 Ca 0.75 -1.12 -0.18 0.00 -1.36 0.00 0.00 55.97 54.05 2k14 s LYS 50 Cb -0.29 0.26 -0.04 0.00 -1.68 0.00 0.00 37.83 36.07 2k14 s LYS 50 CO 0.32 -0.17 1.10 -1.12 -0.76 0.00 0.00 175.35 174.73 2k14 s SER 51 N -2.89 5.67 -0.01 2.83 0.01 -0.91 -1.03 113.70 117.36 2k14 s SER 51 Ca 0.06 2.03 -0.05 0.00 1.31 0.00 0.00 55.95 59.31 2k14 s SER 51 Cb 0.07 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2k14 s SER 51 CO -0.10 -1.25 0.09 0.00 0.41 0.00 0.00 173.24 172.39 2k14 s ALA 52 N -2.07 -0.22 0.14 1.44 0.00 -0.02 -1.03 121.76 120.01 2k14 s ALA 52 Ca 0.69 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.63 2k14 s ALA 52 Cb -0.20 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2k14 s ALA 52 CO 0.31 -0.15 -0.13 0.14 0.00 0.00 0.00 175.76 175.93 2k14 s VAL 53 N -0.91 1.38 -0.44 0.00 -7.23 -0.08 -1.04 120.40 112.09 2k14 s VAL 53 Ca -0.10 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 57.91 2k14 s VAL 53 Cb -0.06 -1.70 0.03 0.00 0.56 0.00 0.00 36.38 35.21 2k14 s VAL 53 CO 0.01 -0.51 1.08 -0.55 -0.31 0.00 0.00 175.10 174.81 2k14 s SER 54 N -2.76 6.66 0.31 4.85 0.15 -1.26 -1.06 113.70 120.58 2k14 s SER 54 Ca 0.13 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.32 2k14 s SER 54 Cb -0.03 -2.53 0.49 0.00 -1.71 0.00 0.00 66.02 62.25 2k14 s SER 54 CO 0.03 -1.14 1.80 0.15 1.20 0.00 0.00 173.24 175.28 2k14 h PHE 55 N 8.98 0.57 -0.68 3.44 3.57 -1.37 -3.28 116.94 128.17 2k14 h PHE 55 Ca -0.23 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2k14 h PHE 55 Cb 1.06 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.65 2k14 h PHE 55 CO 0.93 0.63 0.00 -3.47 -2.23 0.00 0.00 178.31 174.17 2k14 n ASP 56 N -4.21 3.89 -3.71 0.41 2.03 -1.26 -4.96 116.55 108.73 2k14 n ASP 56 Ca 0.01 -2.00 -0.23 0.00 0.52 0.00 0.00 54.79 53.09 2k14 n ASP 56 Cb 0.32 -0.45 0.04 0.00 -0.72 0.00 0.00 41.12 40.31 2k14 n ASP 56 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k14 n ASN 57 N 1.63 -2.80 -4.18 1.67 5.15 -1.24 -5.03 115.26 110.46 2k14 n ASN 57 Ca 0.24 -0.75 -0.17 0.00 -0.60 0.00 0.00 54.58 53.30 2k14 n ASN 57 Cb 0.62 -4.26 -0.11 0.00 -0.53 0.00 0.00 39.78 35.49 2k14 n ASN 57 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2k14 s GLN 58 N -6.10 0.85 0.16 1.20 -0.21 -1.26 -4.81 119.66 109.49 2k14 s GLN 58 Ca 0.24 -1.07 -0.30 0.00 0.02 0.00 0.00 55.36 54.25 2k14 s GLN 58 Cb -0.12 -0.72 -0.07 0.00 1.00 0.00 0.00 33.01 33.11 2k14 s GLN 58 CO 0.80 0.14 0.99 -1.14 -2.12 0.00 0.00 175.29 173.96 2k14 s GLN 59 N -2.25 4.71 -0.50 2.91 0.74 -1.26 -3.95 119.66 120.06 2k14 s GLN 59 Ca 0.02 1.52 0.03 0.00 0.05 0.00 0.00 55.36 56.99 2k14 s GLN 59 Cb -0.07 -3.33 0.15 0.00 1.10 0.00 0.00 33.01 30.86 2k14 s GLN 59 CO 0.02 0.25 0.31 0.42 -0.55 0.00 0.00 175.29 175.74 2k14 s ILE 60 N -0.35 1.59 1.02 -2.34 1.01 0.19 -4.98 121.20 117.35 2k14 s ILE 60 Ca 0.46 -2.98 -0.12 0.00 0.00 0.00 0.00 60.65 58.01 2k14 s ILE 60 Cb -0.25 -2.09 0.20 0.00 0.01 0.00 0.00 42.46 40.33 2k14 s ILE 60 CO 0.32 -0.97 1.07 -0.44 0.00 0.00 0.00 174.94 174.92 2k14 s SER 61 N -0.12 2.28 0.36 3.58 0.01 -1.26 -0.90 113.70 117.65 2k14 s SER 61 Ca 0.22 1.47 -0.26 0.00 1.31 0.00 0.00 55.95 58.69 2k14 s SER 61 Cb -0.15 -2.16 -0.12 0.00 0.21 0.00 0.00 66.02 63.80 2k14 s SER 61 CO -0.07 -3.39 1.04 0.00 0.41 0.00 0.00 173.24 171.24 2k14 n TYR 62 N -4.37 1.34 -2.73 2.43 9.36 -1.26 -4.07 117.16 117.86 2k14 n TYR 62 Ca 0.05 0.61 -0.06 0.00 3.32 0.00 0.00 57.90 61.83 2k14 n TYR 62 Cb 0.55 -2.26 0.02 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 1.14 0.58 3.27 2.98 0.00 -0.43 -5.02 105.19 107.70 2k14 n GLY 63 Ca 0.09 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.08 1.39 -0.20 2.61 -1.32 -1.26 -4.98 115.64 108.80 2k14 s THR 64 Ca 0.13 -1.94 -0.16 0.00 -1.21 0.00 0.00 61.69 58.50 2k14 s THR 64 Cb -0.06 -1.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.14 2k14 s THR 64 CO 0.17 -0.56 0.43 -0.89 -2.21 0.00 0.00 174.62 171.56 2k14 s THR 65 N -2.69 5.18 0.04 5.08 2.01 -1.26 -2.74 115.64 121.25 2k14 s THR 65 Ca 0.15 0.77 0.07 0.00 0.31 0.00 0.00 61.69 62.98 2k14 s THR 65 Cb -0.02 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2k14 s THR 65 CO 0.03 0.24 -0.19 0.68 -0.69 0.00 0.00 174.62 174.69 2k14 s VAL 66 N 1.38 1.52 -0.19 3.82 -7.23 -0.45 -1.66 120.40 117.59 2k14 s VAL 66 Ca 0.20 -1.14 -0.16 0.00 -1.81 0.00 0.00 61.98 59.07 2k14 s VAL 66 Cb -0.15 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2k14 s VAL 66 CO 0.08 0.15 0.40 -0.22 -0.31 0.00 0.00 175.10 175.21 2k14 s LEU 67 N -1.17 4.18 -0.12 1.32 2.96 0.24 -0.14 118.68 125.96 2k14 s LEU 67 Ca 0.06 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.24 2k14 s LEU 67 Cb -0.09 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 2k14 s LEU 67 CO 0.02 -0.05 1.29 -0.69 -1.32 0.00 0.00 176.35 175.60 2k14 s VAL 68 N 1.14 4.17 -0.01 1.68 1.01 -1.07 -1.81 120.40 125.51 2k14 s VAL 68 Ca 0.20 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.65 2k14 s VAL 68 Cb -0.15 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2k14 s VAL 68 CO 0.08 -0.09 0.05 1.33 0.00 0.00 0.00 175.10 176.47 2k14 n VAL 69 N 5.15 0.00 -3.77 2.92 0.24 0.07 -4.52 118.33 118.42 2k14 n VAL 69 Ca 0.13 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.34 62.25 2k14 n VAL 69 Cb 0.45 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 33.28 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 -2.10 -0.03 -0.12 -1.34 -1.08 -0.88 -5.01 116.67 106.12 2k14 s ASP 70 Ca -0.01 -0.52 -0.07 0.00 -0.52 0.00 0.00 52.55 51.44 2k14 s ASP 70 Cb 0.01 0.40 0.05 0.00 -1.46 0.00 0.00 42.92 41.91 2k14 s ASP 70 CO 0.08 -0.78 0.28 -0.63 0.52 0.00 0.00 175.17 174.64 2k14 s ILE 71 N -3.84 -0.03 -0.31 4.11 1.01 -1.26 -0.23 121.20 120.65 2k14 s ILE 71 Ca 0.04 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 2k14 s ILE 71 Cb 0.04 -0.43 0.13 0.00 0.01 0.00 0.00 42.46 42.21 2k14 s ILE 71 CO -0.11 0.05 0.28 0.21 0.00 0.00 0.00 174.94 175.36 2k14 s ASN 72 N 1.09 1.94 -1.73 3.58 3.84 -0.51 -4.99 114.94 118.16 2k14 s ASN 72 Ca -0.08 -1.07 -0.19 0.00 0.21 0.00 0.00 52.86 51.73 2k14 s ASN 72 Cb -0.08 0.34 0.17 0.00 -0.55 0.00 0.00 41.25 41.12 2k14 s ASN 72 CO -0.08 -0.37 0.77 0.59 -2.79 0.00 0.00 177.10 175.22 2k14 n ASN 73 N 5.04 -3.17 0.00 -4.21 3.02 -1.26 -0.96 115.26 113.72 2k14 n ASN 73 Ca 0.01 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2k14 n ASN 73 Cb 0.45 -2.62 0.00 0.00 -0.61 0.00 0.00 39.78 37.00 2k14 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k14 n GLY 74 N -1.35 0.40 3.24 7.41 0.00 -1.26 -5.04 105.19 108.59 2k14 n GLY 74 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.03 4.41 0.41 1.61 1.01 -0.13 -2.15 120.40 123.53 2k14 s VAL 75 Ca 0.00 -1.65 -0.23 0.00 0.00 0.00 0.00 61.98 60.10 2k14 s VAL 75 Cb 0.00 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 2k14 s VAL 75 CO 0.00 -0.74 0.99 -0.76 0.00 0.00 0.00 175.10 174.59 2k14 s LEU 76 N 1.42 4.05 -0.22 3.92 1.02 -0.20 -1.42 118.68 127.25 2k14 s LEU 76 Ca 0.05 1.84 -0.05 0.00 0.02 0.00 0.00 54.13 55.99 2k14 s LEU 76 Cb -0.26 -4.35 -0.02 0.00 0.02 0.00 0.00 46.19 41.57 2k14 s LEU 76 CO 0.01 -0.41 0.01 -0.55 0.02 0.00 0.00 176.35 175.43 2k14 s SER 77 N -1.89 4.77 0.18 2.29 0.15 0.67 -0.90 113.70 118.98 2k14 s SER 77 Ca 0.60 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 57.02 2k14 s SER 77 Cb -0.15 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.28 2k14 s SER 77 CO 0.20 0.00 -0.05 0.68 1.20 0.00 0.00 173.24 175.27 2k14 s VAL 78 N 1.36 1.06 -0.05 4.45 -7.23 -0.23 -0.75 120.40 119.00 2k14 s VAL 78 Ca 0.04 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 2k14 s VAL 78 Cb -0.15 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.73 2k14 s VAL 78 CO 0.01 -0.55 0.16 0.28 -0.31 0.00 0.00 175.10 174.69 2k14 s THR 79 N -3.40 0.01 -0.89 5.32 -1.32 -0.75 -0.99 115.64 113.63 2k14 s THR 79 Ca 0.22 -0.08 -0.25 0.00 -1.21 0.00 0.00 61.69 60.38 2k14 s THR 79 Cb 0.04 -0.25 -0.03 0.00 -1.51 0.00 0.00 72.50 70.75 2k14 s THR 79 CO 0.04 -0.04 1.86 -2.16 -2.21 0.00 0.00 174.62 172.10 2k14 s PRO 80 N -0.08 2.72 0.20 7.08 0.04 -1.26 -0.59 135.00 143.10 2k14 s PRO 80 Ca -0.02 -0.31 -0.05 0.00 0.04 0.00 0.00 61.00 60.66 2k14 s PRO 80 Cb -0.02 -5.02 0.14 0.00 0.04 0.00 0.00 34.50 29.64 2k14 s PRO 80 CO 0.00 -3.13 1.56 1.25 0.04 0.00 0.00 177.00 176.73 2k14 h HIS 81 N 11.44 0.84 -6.99 0.56 2.76 -1.80 -3.48 115.15 118.47 2k14 h HIS 81 Ca 0.07 -0.24 -0.58 0.00 -2.20 0.00 0.00 60.37 57.42 2k14 h HIS 81 Cb 1.02 -0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.71 2k14 h HIS 81 CO 1.21 0.97 -0.94 0.39 -1.30 0.00 0.00 177.93 178.26 2k14 n GLU 82 N -4.05 -0.52 -1.23 5.26 1.02 -0.66 -4.95 120.64 115.51 2k14 n GLU 82 Ca -0.01 0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 2k14 n GLU 82 Cb 0.51 -2.68 0.10 0.00 -0.02 0.00 0.00 31.44 29.35 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 -7.28 2.10 0.00 3.49 0.04 -1.26 -5.07 135.00 127.02 2k14 s PRO 83 Ca 0.28 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2k14 s PRO 83 Cb -0.16 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k14 s PRO 83 CO 0.93 -1.78 0.14 -0.89 0.04 0.00 0.00 177.00 175.44