#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 0.46 0.19 1.61 4.64 -2.06 -1.27 113.55 117.12 2k14 h SER 2 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2k14 h SER 2 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2k14 h SER 2 CO 0.00 0.22 -0.14 0.45 -0.87 0.00 0.00 176.83 176.49 2k14 h HIS 3 N 0.48 0.00 -0.09 4.77 -0.00 -2.05 -0.45 115.15 117.81 2k14 h HIS 3 Ca 0.41 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.61 2k14 h HIS 3 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 2k14 h HIS 3 CO -0.00 0.14 -0.67 0.52 -0.00 0.00 0.00 177.93 177.92 2k14 h MET 4 N 0.00 0.37 -0.37 2.45 0.00 -1.66 -0.96 114.93 114.76 2k14 h MET 4 Ca -0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 59.70 59.25 2k14 h MET 4 Cb 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 31.60 31.92 2k14 h MET 4 CO 0.02 0.91 -0.41 -0.07 0.00 0.00 0.00 176.91 177.36 2k14 h LEU 5 N 0.27 1.00 -0.62 1.22 3.38 -1.34 -0.67 115.31 118.54 2k14 h LEU 5 Ca -0.02 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2k14 h LEU 5 Cb 1.22 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2k14 h LEU 5 CO 0.11 1.27 0.24 -0.33 0.09 0.00 0.00 178.44 179.82 2k14 h GLU 6 N 0.75 0.94 -0.76 1.13 5.08 -1.10 -0.59 114.58 120.03 2k14 h GLU 6 Ca 0.06 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2k14 h GLU 6 Cb 1.01 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 2k14 h GLU 6 CO 0.10 0.80 0.42 1.03 -1.00 0.00 0.00 179.01 180.36 2k14 h SER 7 N 0.87 0.94 -0.67 1.42 0.87 -1.11 -0.88 113.55 114.99 2k14 h SER 7 Ca 0.21 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 2k14 h SER 7 Cb 0.22 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 2k14 h SER 7 CO -0.02 0.76 0.15 0.28 -0.53 0.00 0.00 176.83 177.48 2k14 h SER 8 N 1.04 1.03 -0.60 6.23 0.02 -0.86 -0.68 113.55 119.73 2k14 h SER 8 Ca 0.27 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 2k14 h SER 8 Cb 0.02 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2k14 h SER 8 CO -0.04 0.99 -0.01 0.00 -1.14 0.00 0.00 176.83 176.63 2k14 h ALA 9 N 1.13 0.83 -0.48 3.77 0.00 -0.91 -0.68 119.26 122.91 2k14 h ALA 9 Ca 0.21 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2k14 h ALA 9 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k14 h ALA 9 CO 0.00 0.67 0.07 1.49 0.00 0.00 0.00 179.25 181.49 2k14 h GLU 10 N 0.98 0.80 -0.46 0.00 4.81 -0.91 -1.24 114.58 118.56 2k14 h GLU 10 Ca 0.17 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 2k14 h GLU 10 Cb 0.58 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2k14 h GLU 10 CO 0.03 0.81 0.02 0.93 -0.73 0.00 0.00 179.01 180.08 2k14 h GLU 11 N 0.67 0.75 -0.69 1.92 4.39 -1.09 -0.25 114.58 120.28 2k14 h GLU 11 Ca 0.15 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2k14 h GLU 11 Cb 0.40 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2k14 h GLU 11 CO 0.01 0.74 0.28 0.77 -1.16 0.00 0.00 179.01 179.65 2k14 h SER 12 N 0.70 0.94 -0.48 1.42 0.02 -0.87 -1.09 113.55 114.19 2k14 h SER 12 Ca 0.14 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2k14 h SER 12 Cb 0.40 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2k14 h SER 12 CO 0.01 0.83 -0.17 0.25 -1.14 0.00 0.00 176.83 176.61 2k14 h LEU 13 N 1.00 0.99 -1.36 5.07 6.46 -0.94 -3.02 115.31 123.51 2k14 h LEU 13 Ca 0.23 -0.38 0.05 0.00 -0.12 0.00 0.00 57.88 57.66 2k14 h LEU 13 Cb 0.19 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 2k14 h LEU 13 CO -0.02 1.14 0.47 0.00 -0.62 0.00 0.00 178.44 179.41 2k14 h ALA 14 N 0.88 1.64 0.00 1.25 0.00 -0.57 0.11 119.26 122.56 2k14 h ALA 14 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2k14 h ALA 14 Cb 0.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k14 h ALA 14 CO 0.06 0.27 -0.19 1.88 0.00 0.00 0.00 179.25 181.27 2k14 h TYR 15 N 0.81 0.00 0.05 0.00 0.05 -1.09 -0.58 116.97 116.21 2k14 h TYR 15 Ca 0.29 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.83 2k14 h TYR 15 Cb 0.14 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.90 2k14 h TYR 15 CO -0.00 0.19 -0.97 0.00 -1.05 0.00 0.00 178.16 176.33 2k14 h ARG 16 N 0.00 0.57 -0.75 4.88 2.47 -1.04 -3.29 114.38 117.21 2k14 h ARG 16 Ca -0.00 -0.68 0.07 0.00 -1.26 0.00 0.00 59.98 58.11 2k14 h ARG 16 Cb 0.40 0.21 -0.05 0.00 -1.65 0.00 0.00 29.97 28.88 2k14 h ARG 16 CO 0.03 1.28 0.49 1.49 0.56 0.00 0.00 179.97 183.82 2k14 h GLU 17 N 0.16 0.74 0.00 0.04 4.81 -0.73 -1.64 114.58 117.97 2k14 h GLU 17 Ca -0.14 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2k14 h GLU 17 Cb 1.66 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.88 2k14 h GLU 17 CO 0.19 0.49 -0.00 0.22 -0.73 0.00 0.00 179.01 179.18 2k14 h ASP 18 N 0.76 0.00 0.20 1.04 3.58 -1.18 -0.88 116.42 119.94 2k14 h ASP 18 Ca 0.33 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.72 2k14 h ASP 18 Cb 0.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2k14 h ASP 18 CO -0.11 0.00 -0.25 -0.78 -2.88 0.00 0.00 179.24 175.22 2k14 h ASP 19 N 0.00 0.09 0.48 2.28 3.58 -1.42 -2.85 116.42 118.57 2k14 h ASP 19 Ca -0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2k14 h ASP 19 Cb 0.04 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2k14 h ASP 19 CO 0.00 0.34 0.00 0.18 -2.88 0.00 0.00 179.24 176.88 2k14 n LEU 20 N -4.21 0.58 0.02 2.28 4.32 -0.34 -2.11 117.00 117.54 2k14 n LEU 20 Ca -0.02 0.68 0.02 0.00 -0.02 0.00 0.00 56.01 56.67 2k14 n LEU 20 Cb 0.32 -0.64 0.11 0.00 -1.62 0.00 0.00 43.42 41.59 2k14 n LEU 20 CO 0.38 -0.66 0.57 -1.14 -1.22 0.00 0.00 177.39 175.32 2k14 n ARG 21 N -2.18 0.02 -0.75 3.23 0.63 -1.08 -1.56 116.66 114.97 2k14 n ARG 21 Ca 0.01 0.49 0.08 0.00 -0.92 0.00 0.00 57.85 57.51 2k14 n ARG 21 Cb 0.16 -1.56 0.37 0.00 0.45 0.00 0.00 32.46 31.87 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 -1.32 3.14 3.20 5.14 0.00 -0.90 -4.63 105.19 109.82 2k14 n GLY 22 Ca 0.00 -0.92 -0.13 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 -2.56 0.92 0.41 1.61 0.52 -0.60 -5.09 118.95 114.15 2k14 s ARG 23 Ca 0.51 -1.33 -0.08 0.00 -0.52 0.00 0.00 55.73 54.32 2k14 s ARG 23 Cb 0.38 -0.45 -0.05 0.00 0.52 0.00 0.00 34.95 35.35 2k14 s ARG 23 CO 0.16 0.04 0.73 -0.51 0.02 0.00 0.00 175.30 175.75 2k14 s LEU 24 N -2.92 3.81 0.00 2.53 2.01 -1.26 -2.52 118.68 120.33 2k14 s LEU 24 Ca 0.12 0.98 0.01 0.00 0.01 0.00 0.00 54.13 55.25 2k14 s LEU 24 Cb 0.02 -3.88 -0.00 0.00 0.01 0.00 0.00 46.19 42.34 2k14 s LEU 24 CO -0.01 -0.42 0.09 0.61 1.01 0.00 0.00 176.35 177.63 2k14 n GLY 25 N -1.56 3.40 2.83 -3.19 0.00 0.81 -1.98 105.19 105.50 2k14 n GLY 25 Ca 0.01 -1.61 -0.17 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 -2.29 0.07 -0.10 1.61 2.47 0.93 -1.08 119.74 121.36 2k14 s LYS 26 Ca 0.09 0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.70 2k14 s LYS 26 Cb 0.00 -0.48 -0.03 0.00 -1.46 0.00 0.00 37.83 35.86 2k14 s LYS 26 CO 0.07 -0.38 1.28 0.08 0.16 0.00 0.00 175.35 176.56 2k14 s VAL 27 N 2.31 4.15 -0.46 4.02 1.01 -1.08 -1.42 120.40 128.94 2k14 s VAL 27 Ca 0.03 1.45 0.10 0.00 0.00 0.00 0.00 61.98 63.56 2k14 s VAL 27 Cb -0.13 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 2k14 s VAL 27 CO -0.07 -0.07 0.42 2.30 0.00 0.00 0.00 175.10 177.68 2k14 n ILE 28 N 5.01 0.00 -3.72 2.22 -0.00 -0.17 -1.25 119.36 121.45 2k14 n ILE 28 Ca 0.13 -0.26 -0.16 0.00 -0.00 0.00 0.00 62.75 62.45 2k14 n ILE 28 Cb 0.45 0.98 -0.16 0.00 -0.00 0.00 0.00 39.64 40.91 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 -1.97 -0.11 0.37 7.28 2.01 -1.14 -4.92 115.64 117.15 2k14 s THR 29 Ca 0.04 0.30 -0.27 0.00 0.31 0.00 0.00 61.69 62.07 2k14 s THR 29 Cb 0.08 -0.17 -0.12 0.00 0.01 0.00 0.00 72.50 72.30 2k14 s THR 29 CO 0.41 0.12 1.20 0.00 -0.69 0.00 0.00 174.62 175.67 2k14 n ALA 30 N 4.73 0.92 -3.98 7.40 0.00 -1.26 -1.11 120.51 127.20 2k14 n ALA 30 Ca -0.16 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 2k14 n ALA 30 Cb 0.50 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.61 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 2.42 0.97 0.00 1.01 -0.13 -3.59 120.40 119.93 2k14 s VAL 31 Ca 0.58 -2.82 -0.14 0.00 0.00 0.00 0.00 61.98 59.60 2k14 s VAL 31 Cb -0.57 -2.73 0.17 0.00 0.00 0.00 0.00 36.38 33.25 2k14 s VAL 31 CO 0.60 -0.70 1.18 -2.16 0.00 0.00 0.00 175.10 174.02 2k14 s PRO 32 N 0.32 0.67 0.58 2.72 0.04 -1.26 -0.54 135.00 137.53 2k14 s PRO 32 Ca 0.14 0.06 0.28 0.00 0.04 0.00 0.00 61.00 61.52 2k14 s PRO 32 Cb -0.22 -1.81 1.51 0.00 0.04 0.00 0.00 34.50 34.02 2k14 s PRO 32 CO -0.04 -2.47 1.97 -0.39 0.04 0.00 0.00 177.00 176.11 2k14 h VAL 33 N -1.69 0.46 -0.05 -0.36 -1.51 -1.85 -2.57 116.25 108.67 2k14 h VAL 33 Ca -0.48 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.81 2k14 h VAL 33 Cb 1.30 0.70 -0.36 0.00 -2.13 0.00 0.00 31.29 30.80 2k14 h VAL 33 CO 0.52 0.00 -0.95 -0.67 -1.23 0.00 0.00 177.57 175.24 2k14 n ASP 34 N -3.87 0.80 -0.67 4.19 2.03 -1.26 -4.34 116.55 113.43 2k14 n ASP 34 Ca 0.07 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.37 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 0.28 4.59 3.17 0.27 0.00 -0.97 -5.09 105.19 107.43 2k14 n GLY 35 Ca 0.02 -1.62 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.48 1.37 0.00 1.61 0.40 -1.26 -4.22 117.98 114.41 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 -0.81 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 1.87 4.55 3.04 4.36 0.00 -0.22 -4.63 105.19 114.15 2k14 n GLY 37 Ca -0.18 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 4.11 0.37 0.05 1.61 2.02 -0.27 -0.89 118.70 125.69 2k14 s GLU 38 Ca 0.00 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.60 2k14 s GLU 38 Cb 0.00 0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.35 2k14 s GLU 38 CO 0.00 -0.08 -0.07 0.54 0.02 0.00 0.00 175.26 175.67 2k14 s VAL 39 N -1.22 0.49 0.04 2.63 0.11 -0.19 -1.00 120.40 121.25 2k14 s VAL 39 Ca -0.13 -1.16 0.05 0.00 -2.93 0.00 0.00 61.98 57.80 2k14 s VAL 39 Cb -0.08 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2k14 s VAL 39 CO 0.00 -0.46 -0.14 0.54 -3.33 0.00 0.00 175.10 171.71 2k14 s VAL 40 N -1.68 1.09 0.63 2.04 0.11 -0.51 -0.75 120.40 121.34 2k14 s VAL 40 Ca -0.08 -1.00 -0.16 0.00 -2.93 0.00 0.00 61.98 57.81 2k14 s VAL 40 Cb -0.08 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2k14 s VAL 40 CO -0.01 -0.01 1.11 -0.63 -3.33 0.00 0.00 175.10 172.24 2k14 s ILE 41 N -0.87 3.24 0.64 7.04 -1.09 -1.26 -0.05 121.20 128.85 2k14 s ILE 41 Ca 0.01 0.62 0.31 0.00 -2.23 0.00 0.00 60.65 59.37 2k14 s ILE 41 Cb -0.08 -3.15 0.31 0.00 -1.58 0.00 0.00 42.46 37.97 2k14 s ILE 41 CO 0.01 -0.32 1.96 -0.33 -1.23 0.00 0.00 174.94 175.04 2k14 h GLU 42 N 0.30 0.00 -2.08 2.79 4.39 -1.70 -2.71 114.58 115.56 2k14 h GLU 42 Ca -0.47 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 2k14 h GLU 42 Cb 1.25 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.85 2k14 h GLU 42 CO 0.55 0.00 -0.22 0.41 -1.16 0.00 0.00 179.01 178.59 2k14 n GLY 43 N -1.20 2.65 0.48 -3.84 0.00 -1.26 -4.79 105.19 97.22 2k14 n GLY 43 Ca -0.02 -0.80 0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 1.86 0.26 -0.00 -0.61 -0.00 -1.85 -0.15 117.51 117.02 2k14 h ILE 44 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.99 2k14 h ILE 44 Cb 1.23 0.38 0.00 0.00 -0.00 0.00 0.00 36.82 38.43 2k14 h ILE 44 CO 0.20 0.00 -0.20 0.61 -0.00 0.00 0.00 178.15 178.75 2k14 n GLY 45 N -1.64 -0.84 1.21 0.16 0.00 -1.26 -4.29 105.19 98.53 2k14 n GLY 45 Ca 0.18 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.88 2k14 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k14 n GLY 46 N 1.33 0.83 3.37 -0.02 0.00 -0.09 -5.12 105.19 105.49 2k14 n GLY 46 Ca 0.12 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 0.19 -0.08 2.61 -4.23 -1.08 -5.04 115.64 108.01 2k14 s THR 47 Ca 0.21 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2k14 s THR 47 Cb 0.24 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.67 2k14 s THR 47 CO -0.10 0.00 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.23 2k14 s ILE 48 N -3.36 1.12 0.59 2.99 1.01 -1.26 -4.98 121.20 117.31 2k14 s ILE 48 Ca 0.34 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 2k14 s ILE 48 Cb 0.02 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2k14 s ILE 48 CO 0.23 0.36 1.14 -0.94 0.00 0.00 0.00 174.94 175.73 2k14 s SER 49 N 0.96 5.43 0.05 3.58 1.04 -1.26 -4.64 113.70 118.85 2k14 s SER 49 Ca -0.09 2.17 -0.01 0.00 0.48 0.00 0.00 55.95 58.50 2k14 s SER 49 Cb -0.15 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2k14 s SER 49 CO 0.00 -1.42 -0.02 -0.54 0.98 0.00 0.00 173.24 172.24 2k14 s LYS 50 N -3.52 0.61 0.60 4.02 -0.14 0.07 -4.99 119.74 116.39 2k14 s LYS 50 Ca 0.72 -1.18 -0.19 0.00 -1.36 0.00 0.00 55.97 53.97 2k14 s LYS 50 Cb -0.24 0.21 -0.03 0.00 -1.68 0.00 0.00 37.83 36.09 2k14 s LYS 50 CO 0.32 -0.12 1.22 -1.12 -0.76 0.00 0.00 175.35 174.89 2k14 s SER 51 N -2.85 5.12 -0.01 2.83 0.01 -0.96 -1.03 113.70 116.82 2k14 s SER 51 Ca 0.06 2.41 -0.04 0.00 1.31 0.00 0.00 55.95 59.69 2k14 s SER 51 Cb 0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k14 s SER 51 CO -0.10 -1.64 0.09 0.00 0.41 0.00 0.00 173.24 172.00 2k14 s ALA 52 N -1.58 -0.19 0.14 1.44 0.00 -0.07 -1.14 121.76 120.36 2k14 s ALA 52 Ca 0.78 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.74 2k14 s ALA 52 Cb -0.31 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2k14 s ALA 52 CO 0.34 -0.13 -0.13 0.14 0.00 0.00 0.00 175.76 175.97 2k14 s VAL 53 N -0.80 1.36 -0.12 0.00 -7.23 -0.11 -1.06 120.40 112.43 2k14 s VAL 53 Ca -0.09 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 2k14 s VAL 53 Cb -0.05 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 2k14 s VAL 53 CO 0.00 -0.50 1.24 -0.55 -0.31 0.00 0.00 175.10 174.98 2k14 s SER 54 N -2.70 6.99 0.45 4.85 0.15 -1.26 -1.12 113.70 121.06 2k14 s SER 54 Ca 0.12 1.74 0.24 0.00 0.70 0.00 0.00 55.95 58.75 2k14 s SER 54 Cb -0.03 -2.55 0.54 0.00 -1.71 0.00 0.00 66.02 62.27 2k14 s SER 54 CO 0.03 -0.69 1.68 0.15 1.20 0.00 0.00 173.24 175.61 2k14 h PHE 55 N 7.90 0.00 -0.15 3.44 3.57 -1.41 -3.37 116.94 126.93 2k14 h PHE 55 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2k14 h PHE 55 Cb 1.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2k14 h PHE 55 CO 0.77 0.06 0.00 -3.47 -2.23 0.00 0.00 178.31 173.44 2k14 n ASP 56 N -3.12 2.47 -3.68 0.41 2.03 -1.26 -5.00 116.55 108.40 2k14 n ASP 56 Ca 0.03 -2.10 -0.24 0.00 0.52 0.00 0.00 54.79 53.00 2k14 n ASP 56 Cb 0.50 -0.14 0.06 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.14 -3.94 -4.49 1.67 5.15 -1.26 -5.02 115.26 107.23 2k14 n ASN 57 Ca 0.06 -0.69 -0.27 0.00 -0.60 0.00 0.00 54.58 53.08 2k14 n ASN 57 Cb 0.37 -4.50 -0.11 0.00 -0.53 0.00 0.00 39.78 35.01 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 -6.15 1.76 -0.04 1.20 -1.52 -1.26 -4.78 119.66 108.86 2k14 s GLN 58 Ca 0.37 -1.37 -0.27 0.00 -1.95 0.00 0.00 55.36 52.14 2k14 s GLN 58 Cb -0.17 -2.01 -0.03 0.00 -0.22 0.00 0.00 33.01 30.58 2k14 s GLN 58 CO 0.78 0.43 0.84 -1.14 -0.25 0.00 0.00 175.29 175.94 2k14 s GLN 59 N -2.63 4.48 -0.56 2.91 0.74 -1.26 -3.29 119.66 120.05 2k14 s GLN 59 Ca 0.22 1.13 0.04 0.00 0.05 0.00 0.00 55.36 56.80 2k14 s GLN 59 Cb -0.09 -3.46 0.16 0.00 1.10 0.00 0.00 33.01 30.72 2k14 s GLN 59 CO 0.12 -0.02 0.37 0.42 -0.55 0.00 0.00 175.29 175.64 2k14 s ILE 60 N 0.99 2.02 1.02 -2.34 1.01 0.30 -4.97 121.20 119.24 2k14 s ILE 60 Ca 0.44 -3.44 -0.12 0.00 0.00 0.00 0.00 60.65 57.53 2k14 s ILE 60 Cb -0.19 -2.36 0.20 0.00 0.01 0.00 0.00 42.46 40.12 2k14 s ILE 60 CO 0.22 -1.00 1.08 -0.44 0.00 0.00 0.00 174.94 174.80 2k14 s SER 61 N -0.59 2.21 0.33 3.58 0.01 -1.26 -0.95 113.70 117.02 2k14 s SER 61 Ca 0.24 1.60 -0.27 0.00 1.31 0.00 0.00 55.95 58.83 2k14 s SER 61 Cb -0.10 -2.27 -0.13 0.00 0.21 0.00 0.00 66.02 63.73 2k14 s SER 61 CO -0.11 -3.45 1.02 0.00 0.41 0.00 0.00 173.24 171.11 2k14 n TYR 62 N -4.42 1.27 -2.63 2.43 9.36 -1.26 -3.99 117.16 117.92 2k14 n TYR 62 Ca 0.06 0.65 -0.05 0.00 3.32 0.00 0.00 57.90 61.88 2k14 n TYR 62 Cb 0.54 -2.25 0.01 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 1.19 0.56 3.28 2.98 0.00 -0.38 -5.03 105.19 107.79 2k14 n GLY 63 Ca 0.09 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.93 1.57 -0.18 2.61 -1.32 -1.26 -4.99 115.64 109.15 2k14 s THR 64 Ca 0.10 -1.79 -0.17 0.00 -1.21 0.00 0.00 61.69 58.62 2k14 s THR 64 Cb -0.05 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.24 2k14 s THR 64 CO 0.13 -0.35 0.44 -0.89 -2.21 0.00 0.00 174.62 171.74 2k14 s THR 65 N -2.03 5.18 0.04 5.08 2.01 -1.26 -2.62 115.64 122.04 2k14 s THR 65 Ca 0.12 0.82 0.06 0.00 0.31 0.00 0.00 61.69 62.99 2k14 s THR 65 Cb -0.06 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2k14 s THR 65 CO 0.05 0.26 -0.17 0.68 -0.69 0.00 0.00 174.62 174.75 2k14 s VAL 66 N 1.17 1.34 -0.17 3.82 -7.23 -0.24 -1.65 120.40 117.44 2k14 s VAL 66 Ca 0.22 -1.06 -0.19 0.00 -1.81 0.00 0.00 61.98 59.14 2k14 s VAL 66 Cb -0.15 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 2k14 s VAL 66 CO 0.09 0.10 0.51 -0.22 -0.31 0.00 0.00 175.10 175.27 2k14 s LEU 67 N -1.12 4.20 -0.16 1.32 2.96 0.17 -0.13 118.68 125.92 2k14 s LEU 67 Ca 0.04 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.40 2k14 s LEU 67 Cb -0.08 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 2k14 s LEU 67 CO 0.01 -0.12 1.28 -0.69 -1.32 0.00 0.00 176.35 175.51 2k14 s VAL 68 N 1.27 4.25 -0.01 1.68 1.01 -1.05 -1.87 120.40 125.68 2k14 s VAL 68 Ca 0.25 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.77 2k14 s VAL 68 Cb -0.15 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2k14 s VAL 68 CO 0.10 -0.13 0.07 1.33 0.00 0.00 0.00 175.10 176.47 2k14 n VAL 69 N 5.36 0.00 -3.78 2.92 0.24 0.07 -4.49 118.33 118.65 2k14 n VAL 69 Ca 0.14 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.34 62.25 2k14 n VAL 69 Cb 0.45 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 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 -2.32 -0.01 -0.12 -1.34 -1.08 -0.96 -5.02 116.67 105.83 2k14 s ASP 70 Ca -0.01 -0.53 -0.07 0.00 -0.52 0.00 0.00 52.55 51.42 2k14 s ASP 70 Cb 0.02 0.39 0.04 0.00 -1.46 0.00 0.00 42.92 41.92 2k14 s ASP 70 CO 0.13 -0.78 0.29 -0.63 0.52 0.00 0.00 175.17 174.70 2k14 s ILE 71 N -3.84 -0.03 -0.39 4.11 1.01 -1.26 -0.22 121.20 120.57 2k14 s ILE 71 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2k14 s ILE 71 Cb 0.04 -0.43 0.16 0.00 0.01 0.00 0.00 42.46 42.24 2k14 s ILE 71 CO -0.11 0.04 0.32 0.21 0.00 0.00 0.00 174.94 175.40 2k14 s ASN 72 N 1.02 1.71 -1.34 3.58 2.47 -0.32 -5.00 114.94 117.06 2k14 s ASN 72 Ca -0.07 -2.64 -0.19 0.00 0.42 0.00 0.00 52.86 50.39 2k14 s ASN 72 Cb -0.08 -0.24 0.02 0.00 -1.45 0.00 0.00 41.25 39.50 2k14 s ASN 72 CO -0.07 -0.21 0.44 -3.20 -3.72 0.00 0.00 177.10 170.33 2k14 n ASN 73 N 3.31 -2.13 0.00 -4.21 5.15 -1.26 -1.28 115.26 114.83 2k14 n ASN 73 Ca 0.23 -1.24 0.00 0.00 -0.60 0.00 0.00 54.58 52.96 2k14 n ASN 73 Cb 0.45 -1.92 0.00 0.00 -0.53 0.00 0.00 39.78 37.77 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 -2.22 0.16 3.07 8.20 0.00 -1.26 -5.03 105.19 108.11 2k14 n GLY 74 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 3.02 0.36 1.61 1.01 -0.40 -2.25 120.40 121.74 2k14 s VAL 75 Ca 0.00 -2.46 -0.24 0.00 0.00 0.00 0.00 61.98 59.28 2k14 s VAL 75 Cb 0.00 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 2k14 s VAL 75 CO 0.00 -0.72 0.94 -0.76 0.00 0.00 0.00 175.10 174.56 2k14 s LEU 76 N 0.67 4.20 -0.21 3.92 1.02 -0.29 -1.18 118.68 126.81 2k14 s LEU 76 Ca 0.12 1.77 -0.05 0.00 0.02 0.00 0.00 54.13 55.98 2k14 s LEU 76 Cb -0.22 -4.19 -0.02 0.00 0.02 0.00 0.00 46.19 41.78 2k14 s LEU 76 CO -0.04 -0.17 -0.00 -0.44 0.02 0.00 0.00 176.35 175.72 2k14 s SER 77 N -1.82 4.75 0.18 2.29 0.01 0.69 -0.94 113.70 118.87 2k14 s SER 77 Ca 0.54 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.60 2k14 s SER 77 Cb -0.15 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 2k14 s SER 77 CO 0.20 0.03 -0.05 0.68 0.41 0.00 0.00 173.24 174.52 2k14 s VAL 78 N 1.18 1.03 -0.07 3.43 -7.23 -0.27 -0.75 120.40 117.72 2k14 s VAL 78 Ca 0.03 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 2k14 s VAL 78 Cb -0.14 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.74 2k14 s VAL 78 CO 0.01 -0.55 0.19 0.28 -0.31 0.00 0.00 175.10 174.72 2k14 s THR 79 N -3.42 0.01 -0.83 5.32 -1.32 -0.78 -1.08 115.64 113.54 2k14 s THR 79 Ca 0.22 -0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.40 2k14 s THR 79 Cb 0.04 -0.28 -0.03 0.00 -1.51 0.00 0.00 72.50 70.72 2k14 s THR 79 CO 0.04 -0.03 1.87 -2.16 -2.21 0.00 0.00 174.62 172.14 2k14 s PRO 80 N -0.02 2.66 0.19 7.08 0.04 -1.26 -0.66 135.00 143.03 2k14 s PRO 80 Ca -0.01 -0.11 -0.05 0.00 0.04 0.00 0.00 61.00 60.87 2k14 s PRO 80 Cb -0.02 -4.88 0.10 0.00 0.04 0.00 0.00 34.50 29.74 2k14 s PRO 80 CO 0.00 -3.10 1.52 1.25 0.04 0.00 0.00 177.00 176.72 2k14 h HIS 81 N 12.12 0.80 -6.98 0.56 2.76 -1.81 -3.47 115.15 119.13 2k14 h HIS 81 Ca 0.00 -0.26 -0.56 0.00 -2.20 0.00 0.00 60.37 57.35 2k14 h HIS 81 Cb 1.05 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.76 2k14 h HIS 81 CO 1.17 1.00 -0.92 0.39 -1.30 0.00 0.00 177.93 178.28 2k14 n GLU 82 N -4.00 -0.52 -1.15 5.26 1.02 -0.66 -4.95 120.64 115.64 2k14 n GLU 82 Ca -0.03 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 2k14 n GLU 82 Cb 0.57 -2.57 0.12 0.00 -0.02 0.00 0.00 31.44 29.53 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 -7.20 1.77 0.00 3.49 0.04 -1.26 -5.07 135.00 126.77 2k14 s PRO 83 Ca 0.28 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2k14 s PRO 83 Cb -0.16 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2k14 s PRO 83 CO 0.90 -1.97 0.29 0.44 0.04 0.00 0.00 177.00 176.70