#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 0.37 0.22 1.61 4.64 -2.06 -1.51 113.55 116.82 2k14 h SER 2 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2k14 h SER 2 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2k14 h SER 2 CO 0.00 0.21 -0.12 0.45 -0.87 0.00 0.00 176.83 176.50 2k14 h HIS 3 N 0.40 0.00 -0.15 4.77 -0.00 -2.05 -0.45 115.15 117.67 2k14 h HIS 3 Ca 0.30 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.48 2k14 h HIS 3 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.04 2k14 h HIS 3 CO -0.00 0.12 -0.68 0.52 -0.00 0.00 0.00 177.93 177.90 2k14 h MET 4 N 0.00 0.61 -0.22 2.45 0.00 -1.70 -1.10 114.93 114.97 2k14 h MET 4 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 59.70 59.12 2k14 h MET 4 Cb 0.27 0.08 -0.01 0.00 0.00 0.00 0.00 31.60 31.94 2k14 h MET 4 CO 0.02 1.07 -0.41 -0.07 0.00 0.00 0.00 176.91 177.52 2k14 h LEU 5 N 0.44 0.54 -0.50 1.22 3.38 -1.38 -1.10 115.31 117.90 2k14 h LEU 5 Ca -0.02 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 2k14 h LEU 5 Cb 1.26 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2k14 h LEU 5 CO 0.13 0.89 -0.02 -0.33 0.09 0.00 0.00 178.44 179.19 2k14 h GLU 6 N 0.42 0.89 -0.66 1.13 5.08 -1.10 -2.07 114.58 118.27 2k14 h GLU 6 Ca 0.04 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2k14 h GLU 6 Cb 0.89 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2k14 h GLU 6 CO 0.08 0.94 0.27 0.77 -1.00 0.00 0.00 179.01 180.07 2k14 h SER 7 N 0.75 0.90 -0.25 1.42 0.02 -0.97 -0.31 113.55 115.11 2k14 h SER 7 Ca 0.14 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 2k14 h SER 7 Cb 0.55 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2k14 h SER 7 CO 0.03 0.82 -0.22 0.77 -1.14 0.00 0.00 176.83 177.09 2k14 h SER 8 N 0.92 0.72 -0.52 3.07 4.64 -1.22 -0.83 113.55 120.33 2k14 h SER 8 Ca 0.22 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2k14 h SER 8 Cb 0.19 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2k14 h SER 8 CO -0.02 0.92 0.09 0.00 -0.87 0.00 0.00 176.83 176.95 2k14 h ALA 9 N 1.14 0.70 -0.46 5.18 0.00 -1.11 -0.58 119.26 124.12 2k14 h ALA 9 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2k14 h ALA 9 Cb 0.70 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k14 h ALA 9 CO 0.05 0.43 -0.10 0.93 0.00 0.00 0.00 179.25 180.57 2k14 h GLU 10 N 0.75 0.84 -0.44 0.00 5.08 -0.97 -0.72 114.58 119.12 2k14 h GLU 10 Ca 0.16 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2k14 h GLU 10 Cb 0.40 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2k14 h GLU 10 CO 0.01 0.90 -0.11 1.49 -1.00 0.00 0.00 179.01 180.31 2k14 h GLU 11 N 0.76 0.80 -0.63 2.33 4.57 -1.07 -0.64 114.58 120.70 2k14 h GLU 11 Ca 0.13 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 2k14 h GLU 11 Cb 0.60 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 2k14 h GLU 11 CO 0.04 0.87 0.09 0.77 -1.18 0.00 0.00 179.01 179.60 2k14 h SER 12 N 0.72 0.99 -0.42 1.04 0.02 -0.86 -1.00 113.55 114.03 2k14 h SER 12 Ca 0.12 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 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 0.99 0.15 0.25 -1.14 0.00 0.00 176.83 177.12 2k14 h LEU 13 N 0.97 0.60 -1.29 5.07 6.46 -0.93 -1.36 115.31 124.84 2k14 h LEU 13 Ca 0.19 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2k14 h LEU 13 Cb 0.43 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 2k14 h LEU 13 CO 0.01 0.63 0.44 0.00 -0.62 0.00 0.00 178.44 178.90 2k14 h ALA 14 N 1.00 1.47 -0.42 1.25 0.00 -0.88 0.85 119.26 122.53 2k14 h ALA 14 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2k14 h ALA 14 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k14 h ALA 14 CO -0.01 0.47 0.03 -0.92 0.00 0.00 0.00 179.25 178.83 2k14 h TYR 15 N 0.94 0.77 -0.85 0.00 3.20 -0.93 -0.91 116.97 119.19 2k14 h TYR 15 Ca 0.25 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2k14 h TYR 15 Cb -0.08 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 2k14 h TYR 15 CO 0.00 0.76 0.45 0.00 -1.64 0.00 0.00 178.16 177.73 2k14 h ARG 16 N 0.56 1.19 -0.70 1.82 3.08 -0.79 -2.84 114.38 116.70 2k14 h ARG 16 Ca 0.12 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2k14 h ARG 16 Cb 0.44 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2k14 h ARG 16 CO 0.02 0.89 0.20 1.49 -1.07 0.00 0.00 179.97 181.50 2k14 h GLU 17 N 1.19 1.10 0.00 0.04 4.81 -0.69 -2.71 114.58 118.31 2k14 h GLU 17 Ca 0.30 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2k14 h GLU 17 Cb 0.06 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2k14 h GLU 17 CO -0.04 0.95 -0.10 0.22 -0.73 0.00 0.00 179.01 179.31 2k14 h ASP 18 N 1.03 0.00 0.20 1.04 3.58 -0.99 -1.43 116.42 119.86 2k14 h ASP 18 Ca 0.22 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.62 2k14 h ASP 18 Cb 0.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2k14 h ASP 18 CO -0.00 0.10 -0.23 -0.78 -2.88 0.00 0.00 179.24 175.44 2k14 h ASP 19 N 0.00 0.05 0.45 2.28 3.58 -1.25 -2.75 116.42 118.79 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 0.32 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2k14 h ASP 19 CO 0.01 0.29 0.00 0.18 -2.88 0.00 0.00 179.24 176.84 2k14 n LEU 20 N -4.24 0.59 0.03 2.28 4.77 -0.54 -2.68 117.00 117.21 2k14 n LEU 20 Ca -0.02 0.69 0.05 0.00 -0.03 0.00 0.00 56.01 56.70 2k14 n LEU 20 Cb 0.30 -0.66 0.22 0.00 -2.33 0.00 0.00 43.42 40.96 2k14 n LEU 20 CO 0.38 -0.68 0.65 -1.14 -1.33 0.00 0.00 177.39 175.27 2k14 n ARG 21 N -2.19 0.03 -0.76 3.23 0.63 -1.04 -1.78 116.66 114.78 2k14 n ARG 21 Ca 0.01 0.41 0.07 0.00 -0.92 0.00 0.00 57.85 57.42 2k14 n ARG 21 Cb 0.15 -1.58 0.36 0.00 0.45 0.00 0.00 32.46 31.84 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 -0.77 3.37 3.27 5.14 0.00 -1.09 -4.56 105.19 110.54 2k14 n GLY 22 Ca 0.01 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.80 1.12 0.44 1.61 0.52 -0.74 -5.07 118.95 114.03 2k14 s ARG 23 Ca 0.51 -1.50 -0.08 0.00 -0.52 0.00 0.00 55.73 54.13 2k14 s ARG 23 Cb 0.39 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 35.20 2k14 s ARG 23 CO 0.14 0.03 0.78 -0.51 0.02 0.00 0.00 175.30 175.75 2k14 s LEU 24 N -3.20 3.73 0.00 2.53 2.01 -1.26 -2.51 118.68 119.98 2k14 s LEU 24 Ca 0.20 1.04 0.01 0.00 0.01 0.00 0.00 54.13 55.38 2k14 s LEU 24 Cb 0.03 -3.96 -0.00 0.00 0.01 0.00 0.00 46.19 42.27 2k14 s LEU 24 CO 0.02 -0.48 0.04 0.61 1.01 0.00 0.00 176.35 177.55 2k14 n GLY 25 N -1.73 3.68 2.86 -3.19 0.00 0.88 -1.78 105.19 105.91 2k14 n GLY 25 Ca 0.02 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.15 0.09 0.14 1.61 2.47 0.83 -1.20 119.74 121.52 2k14 s LYS 26 Ca 0.05 0.54 -0.31 0.00 -1.56 0.00 0.00 55.97 54.69 2k14 s LYS 26 Cb 0.00 -0.40 -0.08 0.00 -1.46 0.00 0.00 37.83 35.90 2k14 s LYS 26 CO 0.03 -0.37 1.30 0.08 0.16 0.00 0.00 175.35 176.56 2k14 s VAL 27 N 2.33 3.44 -0.04 4.02 1.01 -1.13 -1.21 120.40 128.83 2k14 s VAL 27 Ca 0.03 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2k14 s VAL 27 Cb -0.13 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2k14 s VAL 27 CO -0.07 0.12 0.06 2.30 0.00 0.00 0.00 175.10 177.51 2k14 n ILE 28 N 3.35 0.00 -3.97 2.22 -0.00 -0.26 -1.62 119.36 119.08 2k14 n ILE 28 Ca 0.08 -0.21 -0.21 0.00 -0.00 0.00 0.00 62.75 62.42 2k14 n ILE 28 Cb 0.43 0.67 -0.17 0.00 -0.00 0.00 0.00 39.64 40.57 2k14 n ILE 28 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 2k14 s THR 29 N -1.77 0.41 0.22 7.28 2.01 -1.15 -4.85 115.64 117.79 2k14 s THR 29 Ca -0.00 0.01 -0.32 0.00 0.31 0.00 0.00 61.69 61.69 2k14 s THR 29 Cb 0.01 -0.50 -0.14 0.00 0.01 0.00 0.00 72.50 71.89 2k14 s THR 29 CO 0.09 0.22 1.37 0.00 -0.69 0.00 0.00 174.62 175.61 2k14 n ALA 30 N 4.48 0.77 -3.72 7.40 0.00 -1.26 -1.14 120.51 127.04 2k14 n ALA 30 Ca -0.18 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.31 2k14 n ALA 30 Cb 0.50 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 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 -0.04 3.63 0.95 0.00 1.01 0.06 -3.54 120.40 122.47 2k14 s VAL 31 Ca 0.69 -2.66 -0.14 0.00 0.00 0.00 0.00 61.98 59.87 2k14 s VAL 31 Cb -0.69 -3.40 0.17 0.00 0.00 0.00 0.00 36.38 32.46 2k14 s VAL 31 CO 0.50 -0.82 1.17 -2.16 0.00 0.00 0.00 175.10 173.78 2k14 s PRO 32 N 0.32 0.77 0.56 2.72 0.04 -1.26 -0.66 135.00 137.49 2k14 s PRO 32 Ca 0.14 0.10 0.27 0.00 0.04 0.00 0.00 61.00 61.56 2k14 s PRO 32 Cb -0.21 -1.81 1.49 0.00 0.04 0.00 0.00 34.50 34.01 2k14 s PRO 32 CO -0.04 -2.41 1.99 -0.39 0.04 0.00 0.00 177.00 176.19 2k14 h VAL 33 N -1.65 0.54 -0.06 -0.36 -1.51 -1.85 -2.69 116.25 108.67 2k14 h VAL 33 Ca -0.48 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.80 2k14 h VAL 33 Cb 1.31 0.72 -0.36 0.00 -2.13 0.00 0.00 31.29 30.83 2k14 h VAL 33 CO 0.54 0.00 -0.95 -0.67 -1.23 0.00 0.00 177.57 175.26 2k14 n ASP 34 N -4.02 0.81 -0.31 4.19 2.03 -1.26 -4.33 116.55 113.66 2k14 n ASP 34 Ca 0.08 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.38 2k14 n ASP 34 Cb 0.57 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 4.76 3.17 0.27 0.00 -1.02 -5.09 105.19 107.53 2k14 n GLY 35 Ca 0.02 -1.47 -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 -1.43 1.37 0.00 1.61 0.40 -1.26 -4.16 117.98 114.51 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 1.88 4.61 3.08 4.36 0.00 -0.19 -4.59 105.19 114.34 2k14 n GLY 37 Ca -0.18 -0.64 -0.11 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 3.76 0.40 0.07 1.61 2.02 -0.29 -0.83 118.70 125.45 2k14 s GLU 38 Ca 0.00 -0.27 0.02 0.00 0.02 0.00 0.00 54.97 54.75 2k14 s GLU 38 Cb 0.00 0.17 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 2k14 s GLU 38 CO 0.00 -0.09 -0.08 0.08 0.02 0.00 0.00 175.26 175.19 2k14 s VAL 39 N -1.04 0.66 0.04 2.63 1.01 -0.33 -1.10 120.40 122.27 2k14 s VAL 39 Ca -0.11 -1.51 0.06 0.00 0.00 0.00 0.00 61.98 60.41 2k14 s VAL 39 Cb -0.06 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2k14 s VAL 39 CO 0.01 -0.61 -0.16 -0.69 0.00 0.00 0.00 175.10 173.65 2k14 s VAL 40 N -2.46 1.28 0.52 2.92 1.01 -0.35 -0.89 120.40 122.43 2k14 s VAL 40 Ca 0.01 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 2k14 s VAL 40 Cb -0.03 -1.14 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 2k14 s VAL 40 CO -0.02 0.08 1.10 -0.63 0.00 0.00 0.00 175.10 175.63 2k14 s ILE 41 N -0.81 3.38 -0.02 2.22 -1.09 -1.26 -0.12 121.20 123.51 2k14 s ILE 41 Ca 0.04 0.87 0.22 0.00 -2.23 0.00 0.00 60.65 59.55 2k14 s ILE 41 Cb -0.08 -3.36 0.22 0.00 -1.58 0.00 0.00 42.46 37.66 2k14 s ILE 41 CO 0.01 -0.17 1.66 -0.33 -1.23 0.00 0.00 174.94 174.88 2k14 h GLU 42 N 1.39 0.00 -2.03 2.79 4.39 -1.65 -3.18 114.58 116.28 2k14 h GLU 42 Ca -0.50 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 2k14 h GLU 42 Cb 1.25 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 -0.01 0.41 -1.16 0.00 0.00 179.01 178.83 2k14 n GLY 43 N -1.27 1.81 0.38 -3.84 0.00 -1.26 -4.75 105.19 96.27 2k14 n GLY 43 Ca -0.01 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 1.46 0.10 0.00 -0.61 -0.00 -1.90 0.54 117.51 117.11 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 0.66 0.41 0.00 0.00 -0.00 0.00 0.00 36.82 37.90 2k14 h ILE 44 CO 0.03 0.00 0.00 1.23 -0.00 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 -3.38 103.07 97.93 2k14 h GLY 45 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 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 -0.59 0.95 3.68 4.60 0.00 0.06 -5.14 105.19 108.75 2k14 n GLY 46 Ca -0.00 0.00 -0.29 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 1.91 -0.02 2.61 -4.23 -0.46 -5.10 115.64 110.36 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 -0.01 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 -3.06 1.02 0.55 2.99 1.01 -1.26 -4.90 121.20 117.55 2k14 s ILE 48 Ca 0.67 -0.53 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 2k14 s ILE 48 Cb -0.16 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 2k14 s ILE 48 CO 0.56 0.29 1.12 -0.94 0.00 0.00 0.00 174.94 175.98 2k14 s SER 49 N -0.16 5.71 0.07 3.58 1.04 -1.26 -4.42 113.70 118.25 2k14 s SER 49 Ca 0.02 2.13 -0.05 0.00 0.48 0.00 0.00 55.95 58.53 2k14 s SER 49 Cb -0.06 -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 -3.39 0.71 0.62 4.02 -0.14 -0.07 -5.00 119.74 116.49 2k14 s LYS 50 Ca 0.71 -1.04 -0.18 0.00 -1.36 0.00 0.00 55.97 54.11 2k14 s LYS 50 Cb -0.23 0.27 -0.02 0.00 -1.68 0.00 0.00 37.83 36.17 2k14 s LYS 50 CO 0.28 -0.18 1.19 -1.12 -0.76 0.00 0.00 175.35 174.76 2k14 s SER 51 N -2.78 5.05 0.00 2.83 0.01 -1.03 -1.19 113.70 116.60 2k14 s SER 51 Ca 0.04 2.33 -0.09 0.00 1.31 0.00 0.00 55.95 59.55 2k14 s SER 51 Cb 0.05 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k14 s SER 51 CO -0.10 -1.68 0.17 0.00 0.41 0.00 0.00 173.24 172.04 2k14 s ALA 52 N -1.74 -0.39 0.14 1.44 0.00 -0.01 -0.89 121.76 120.31 2k14 s ALA 52 Ca 0.76 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.68 2k14 s ALA 52 Cb -0.29 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2k14 s ALA 52 CO 0.35 -0.23 -0.14 0.14 0.00 0.00 0.00 175.76 175.88 2k14 s VAL 53 N -1.52 1.40 -0.14 0.00 -7.23 0.18 -1.02 120.40 112.06 2k14 s VAL 53 Ca -0.13 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 57.86 2k14 s VAL 53 Cb -0.06 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 2k14 s VAL 53 CO 0.01 -0.50 1.22 -0.55 -0.31 0.00 0.00 175.10 174.97 2k14 s SER 54 N -2.75 6.99 0.35 4.85 0.15 -1.26 -0.99 113.70 121.05 2k14 s SER 54 Ca 0.13 1.70 0.25 0.00 0.70 0.00 0.00 55.95 58.73 2k14 s SER 54 Cb -0.03 -2.54 0.65 0.00 -1.71 0.00 0.00 66.02 62.38 2k14 s SER 54 CO 0.03 -0.70 1.71 0.15 1.20 0.00 0.00 173.24 175.64 2k14 h PHE 55 N 7.90 0.00 -0.05 3.44 3.57 -1.38 -3.37 116.94 127.05 2k14 h PHE 55 Ca -0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2k14 h PHE 55 Cb 1.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2k14 h PHE 55 CO 0.77 0.00 0.00 -3.47 -2.23 0.00 0.00 178.31 173.38 2k14 n ASP 56 N -2.74 2.24 -3.75 0.41 2.03 -1.26 -5.00 116.55 108.48 2k14 n ASP 56 Ca 0.04 -2.22 -0.26 0.00 0.52 0.00 0.00 54.79 52.88 2k14 n ASP 56 Cb 0.45 -0.12 0.05 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.54 -4.15 -4.51 1.67 4.05 -1.26 -5.02 115.26 105.50 2k14 n ASN 57 Ca 0.05 -0.71 -0.29 0.00 0.45 0.00 0.00 54.58 54.08 2k14 n ASN 57 Cb 0.36 -4.32 -0.11 0.00 1.23 0.00 0.00 39.78 36.94 2k14 n ASN 57 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2k14 s GLN 58 N -6.29 1.85 0.01 1.20 -1.52 -1.26 -4.76 119.66 108.89 2k14 s GLN 58 Ca 0.44 -1.22 -0.27 0.00 -1.95 0.00 0.00 55.36 52.36 2k14 s GLN 58 Cb -0.21 -2.12 -0.04 0.00 -0.22 0.00 0.00 33.01 30.42 2k14 s GLN 58 CO 0.79 0.46 0.84 -1.14 -0.25 0.00 0.00 175.29 175.99 2k14 s GLN 59 N -2.36 4.53 -0.45 2.91 0.74 -1.26 -3.32 119.66 120.44 2k14 s GLN 59 Ca 0.20 1.17 0.02 0.00 0.05 0.00 0.00 55.36 56.81 2k14 s GLN 59 Cb -0.10 -3.42 0.14 0.00 1.10 0.00 0.00 33.01 30.73 2k14 s GLN 59 CO 0.12 0.11 0.24 0.42 -0.55 0.00 0.00 175.29 175.63 2k14 s ILE 60 N 0.51 1.46 1.03 -2.34 1.01 0.17 -4.98 121.20 118.06 2k14 s ILE 60 Ca 0.43 -2.61 -0.12 0.00 0.00 0.00 0.00 60.65 58.35 2k14 s ILE 60 Cb -0.20 -2.02 0.21 0.00 0.01 0.00 0.00 42.46 40.45 2k14 s ILE 60 CO 0.24 -0.90 1.08 -0.44 0.00 0.00 0.00 174.94 174.93 2k14 s SER 61 N 0.30 2.33 0.31 3.58 0.01 -1.26 -0.76 113.70 118.21 2k14 s SER 61 Ca 0.18 1.24 -0.27 0.00 1.31 0.00 0.00 55.95 58.41 2k14 s SER 61 Cb -0.24 -1.92 -0.14 0.00 0.21 0.00 0.00 66.02 63.93 2k14 s SER 61 CO -0.00 -3.32 0.91 0.00 0.41 0.00 0.00 173.24 171.24 2k14 n TYR 62 N -4.31 0.90 -2.56 2.43 4.19 -1.26 -4.12 117.16 112.44 2k14 n TYR 62 Ca 0.05 0.70 -0.03 0.00 3.31 0.00 0.00 57.90 61.93 2k14 n TYR 62 Cb 0.57 -2.19 0.01 0.00 0.49 0.00 0.00 39.34 38.22 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 1.35 0.62 3.19 2.98 0.00 -0.64 -5.02 105.19 107.67 2k14 n GLY 63 Ca 0.11 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.05 0.88 -0.14 2.61 -1.32 -1.26 -5.00 115.64 108.36 2k14 s THR 64 Ca 0.07 -1.85 -0.20 0.00 -1.21 0.00 0.00 61.69 58.50 2k14 s THR 64 Cb -0.03 -1.59 -0.03 0.00 -1.51 0.00 0.00 72.50 69.33 2k14 s THR 64 CO 0.11 -0.73 0.58 -0.89 -2.21 0.00 0.00 174.62 171.48 2k14 s THR 65 N -3.12 5.10 0.04 5.08 2.01 -1.26 -2.82 115.64 120.67 2k14 s THR 65 Ca 0.10 1.13 0.06 0.00 0.31 0.00 0.00 61.69 63.30 2k14 s THR 65 Cb 0.02 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2k14 s THR 65 CO -0.02 0.23 -0.18 0.68 -0.69 0.00 0.00 174.62 174.65 2k14 s VAL 66 N 1.15 1.41 -0.19 3.82 -7.23 -0.35 -1.42 120.40 117.60 2k14 s VAL 66 Ca 0.29 -1.10 -0.15 0.00 -1.81 0.00 0.00 61.98 59.21 2k14 s VAL 66 Cb -0.16 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2k14 s VAL 66 CO 0.12 0.12 0.36 -0.22 -0.31 0.00 0.00 175.10 175.16 2k14 s LEU 67 N -1.15 4.18 -1.35 1.32 2.96 0.18 -0.08 118.68 124.74 2k14 s LEU 67 Ca 0.05 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.30 2k14 s LEU 67 Cb -0.08 -2.46 0.08 0.00 0.50 0.00 0.00 46.19 44.24 2k14 s LEU 67 CO 0.02 -0.02 1.91 0.52 -1.32 0.00 0.00 176.35 177.46 2k14 n VAL 68 N 4.13 3.84 0.27 1.68 0.31 -1.05 -2.01 118.33 125.51 2k14 n VAL 68 Ca -0.10 -3.79 0.15 0.00 -0.01 0.00 0.00 64.34 60.59 2k14 n VAL 68 Cb 0.51 -2.47 0.75 0.00 -0.91 0.00 0.00 33.84 31.72 2k14 n VAL 68 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2k14 h VAL 69 N 4.60 0.30 -3.77 2.52 -1.51 -1.48 -3.40 116.25 113.51 2k14 h VAL 69 Ca 0.47 -0.55 -0.09 0.00 -1.23 0.00 0.00 66.70 65.31 2k14 h VAL 69 Cb 0.75 1.42 -0.12 0.00 -2.13 0.00 0.00 31.29 31.20 2k14 h VAL 69 CO 1.62 0.08 -0.26 -0.62 -1.23 0.00 0.00 177.57 177.16 2k14 s ASP 70 N -5.86 -0.01 -0.09 4.19 -1.08 -0.80 -5.02 116.67 108.01 2k14 s ASP 70 Ca -0.01 -0.77 -0.06 0.00 -0.52 0.00 0.00 52.55 51.18 2k14 s ASP 70 Cb 0.11 0.45 0.03 0.00 -1.46 0.00 0.00 42.92 42.05 2k14 s ASP 70 CO 0.55 -0.90 0.22 -0.63 0.52 0.00 0.00 175.17 174.92 2k14 s ILE 71 N -3.94 -0.02 -0.39 4.11 1.01 -1.26 -0.26 121.20 120.45 2k14 s ILE 71 Ca 0.14 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.88 2k14 s ILE 71 Cb 0.03 -0.32 0.16 0.00 0.01 0.00 0.00 42.46 42.34 2k14 s ILE 71 CO -0.02 0.02 0.30 0.21 0.00 0.00 0.00 174.94 175.46 2k14 s ASN 72 N 0.54 1.91 -1.44 3.58 2.47 -0.25 -4.98 114.94 116.77 2k14 s ASN 72 Ca -0.04 -2.74 -0.02 0.00 0.42 0.00 0.00 52.86 50.49 2k14 s ASN 72 Cb -0.05 -0.39 0.00 0.00 -1.45 0.00 0.00 41.25 39.36 2k14 s ASN 72 CO -0.03 -0.22 0.28 -3.20 -3.72 0.00 0.00 177.10 170.22 2k14 n ASN 73 N 3.27 -0.11 0.00 -4.21 2.85 -1.26 -1.26 115.26 114.55 2k14 n ASN 73 Ca 0.23 -1.11 0.00 0.00 -0.11 0.00 0.00 54.58 53.59 2k14 n ASN 73 Cb 0.44 -2.49 0.00 0.00 1.24 0.00 0.00 39.78 38.97 2k14 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k14 n GLY 74 N -2.20 0.19 3.12 8.20 0.00 -1.26 -5.03 105.19 108.21 2k14 n GLY 74 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 3.48 0.50 1.61 1.01 -0.39 -2.46 120.40 122.15 2k14 s VAL 75 Ca 0.00 -2.26 -0.20 0.00 0.00 0.00 0.00 61.98 59.52 2k14 s VAL 75 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 2k14 s VAL 75 CO 0.00 -0.75 1.05 -0.76 0.00 0.00 0.00 175.10 174.64 2k14 s LEU 76 N 0.86 3.82 -0.21 3.92 1.02 -0.07 -1.09 118.68 126.93 2k14 s LEU 76 Ca 0.10 1.94 -0.03 0.00 0.02 0.00 0.00 54.13 56.17 2k14 s LEU 76 Cb -0.22 -4.56 -0.00 0.00 0.02 0.00 0.00 46.19 41.42 2k14 s LEU 76 CO -0.04 -0.84 -0.07 -0.44 0.02 0.00 0.00 176.35 174.98 2k14 s SER 77 N -2.01 4.07 0.20 2.29 0.01 0.64 -0.65 113.70 118.25 2k14 s SER 77 Ca 0.68 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 57.52 2k14 s SER 77 Cb -0.17 -1.69 -0.05 0.00 0.21 0.00 0.00 66.02 64.33 2k14 s SER 77 CO 0.21 -0.02 -0.04 0.68 0.41 0.00 0.00 173.24 174.48 2k14 s VAL 78 N 1.44 1.10 -0.10 3.43 -7.23 -0.16 -1.42 120.40 117.46 2k14 s VAL 78 Ca 0.06 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 2k14 s VAL 78 Cb -0.14 -2.14 0.03 0.00 0.56 0.00 0.00 36.38 34.69 2k14 s VAL 78 CO -0.05 -0.50 0.29 0.28 -0.31 0.00 0.00 175.10 174.82 2k14 s THR 79 N -3.38 0.01 -0.87 5.32 -1.32 -0.85 -1.01 115.64 113.54 2k14 s THR 79 Ca 0.24 -0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.42 2k14 s THR 79 Cb 0.04 -0.43 -0.01 0.00 -1.51 0.00 0.00 72.50 70.58 2k14 s THR 79 CO 0.05 -0.03 1.77 -2.16 -2.21 0.00 0.00 174.62 172.04 2k14 s PRO 80 N 0.01 2.85 0.33 7.08 0.04 -1.26 -0.65 135.00 143.41 2k14 s PRO 80 Ca -0.01 -0.33 0.04 0.00 0.04 0.00 0.00 61.00 60.74 2k14 s PRO 80 Cb -0.02 -4.95 0.59 0.00 0.04 0.00 0.00 34.50 30.16 2k14 s PRO 80 CO 0.01 -2.91 1.88 1.25 0.04 0.00 0.00 177.00 177.27 2k14 h HIS 81 N 11.48 0.59 -7.01 0.56 2.76 -1.81 -3.48 115.15 118.24 2k14 h HIS 81 Ca 0.03 -0.05 -0.45 0.00 -2.20 0.00 0.00 60.37 57.70 2k14 h HIS 81 Cb 1.04 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 2k14 h HIS 81 CO 1.20 0.54 -0.78 -1.91 -1.30 0.00 0.00 177.93 175.68 2k14 n GLU 82 N -4.30 -0.48 -1.60 5.26 2.13 -0.51 -4.89 120.64 116.26 2k14 n GLU 82 Ca 0.02 -0.02 -0.40 0.00 0.66 0.00 0.00 57.16 57.43 2k14 n GLU 82 Cb 0.22 -1.62 0.03 0.00 0.27 0.00 0.00 31.44 30.34 2k14 n GLU 82 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2k14 n PRO 83 N -3.88 1.12 0.00 5.31 -0.02 -1.26 -5.04 135.00 131.22 2k14 n PRO 83 Ca -0.10 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2k14 n PRO 83 Cb 0.44 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2k14 n PRO 83 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92