#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 -0.18 1.61 0.02 -2.06 -1.06 113.55 111.89 2k14 h SER 2 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2k14 h SER 2 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2k14 h SER 2 CO 0.00 0.00 0.12 1.12 -1.14 0.00 0.00 176.83 176.93 2k14 h HIS 3 N 0.00 0.16 -0.13 3.45 -0.00 -2.05 -0.21 115.15 116.37 2k14 h HIS 3 Ca 0.17 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.36 2k14 h HIS 3 Cb 0.68 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 2k14 h HIS 3 CO 0.00 0.10 -0.68 0.52 -0.00 0.00 0.00 177.93 177.87 2k14 h MET 4 N 0.17 0.54 -0.38 5.12 0.00 -1.62 -1.22 114.93 117.55 2k14 h MET 4 Ca 0.07 -0.41 -0.14 0.00 0.00 0.00 0.00 59.70 59.22 2k14 h MET 4 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 31.60 31.74 2k14 h MET 4 CO -0.01 1.03 -0.32 -0.07 0.00 0.00 0.00 176.91 177.53 2k14 h LEU 5 N 0.39 0.94 -0.51 1.22 3.38 -1.42 -0.49 115.31 118.82 2k14 h LEU 5 Ca -0.02 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2k14 h LEU 5 Cb 1.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2k14 h LEU 5 CO 0.13 1.20 0.20 -0.33 0.09 0.00 0.00 178.44 179.73 2k14 h GLU 6 N 0.70 0.77 -0.87 1.13 5.08 -1.10 -1.09 114.58 119.20 2k14 h GLU 6 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k14 h GLU 6 Cb 0.91 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 2k14 h GLU 6 CO 0.08 0.68 0.55 0.77 -1.00 0.00 0.00 179.01 180.09 2k14 h SER 7 N 0.69 1.03 -0.71 1.42 0.02 -1.12 -0.78 113.55 114.09 2k14 h SER 7 Ca 0.17 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2k14 h SER 7 Cb 0.20 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2k14 h SER 7 CO -0.01 0.77 0.19 0.28 -1.14 0.00 0.00 176.83 176.91 2k14 h SER 8 N 1.19 1.07 -0.53 3.07 0.02 -0.86 -0.38 113.55 117.12 2k14 h SER 8 Ca 0.31 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 2k14 h SER 8 Cb -0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.15 2k14 h SER 8 CO -0.06 1.02 0.02 0.00 -1.14 0.00 0.00 176.83 176.66 2k14 h ALA 9 N 1.11 0.72 -0.63 3.77 0.00 -0.89 -0.67 119.26 122.67 2k14 h ALA 9 Ca 0.23 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2k14 h ALA 9 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k14 h ALA 9 CO -0.00 0.52 0.05 0.93 0.00 0.00 0.00 179.25 180.75 2k14 h GLU 10 N 0.81 1.08 -0.26 0.00 5.08 -0.95 -0.83 114.58 119.51 2k14 h GLU 10 Ca 0.15 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 2k14 h GLU 10 Cb 0.51 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2k14 h GLU 10 CO 0.02 1.03 -0.26 0.93 -1.00 0.00 0.00 179.01 179.73 2k14 h GLU 11 N 0.99 0.50 -0.62 2.33 5.08 -1.02 -0.43 114.58 121.43 2k14 h GLU 11 Ca 0.19 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2k14 h GLU 11 Cb 0.51 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2k14 h GLU 11 CO 0.02 0.73 0.16 1.03 -1.00 0.00 0.00 179.01 179.95 2k14 h SER 12 N 0.44 0.93 -0.44 1.42 0.87 -0.92 -1.43 113.55 114.42 2k14 h SER 12 Ca 0.06 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.30 2k14 h SER 12 Cb 0.69 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2k14 h SER 12 CO 0.05 0.91 -0.08 0.25 -0.53 0.00 0.00 176.83 177.43 2k14 h LEU 13 N 0.90 0.89 -0.92 2.23 7.12 -0.91 -0.48 115.31 124.14 2k14 h LEU 13 Ca 0.19 -0.27 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 2k14 h LEU 13 Cb 0.34 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 40.19 2k14 h LEU 13 CO 0.00 0.99 0.53 0.00 -0.13 0.00 0.00 178.44 179.83 2k14 h ALA 14 N 1.09 1.17 -0.58 1.25 0.00 -0.93 0.08 119.26 121.35 2k14 h ALA 14 Ca 0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2k14 h ALA 14 Cb 0.60 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k14 h ALA 14 CO 0.04 0.65 0.09 -0.92 0.00 0.00 0.00 179.25 179.11 2k14 h TYR 15 N 1.27 1.02 -0.99 0.00 3.20 -0.89 -0.02 116.97 120.57 2k14 h TYR 15 Ca 0.33 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2k14 h TYR 15 Cb -0.02 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 2k14 h TYR 15 CO 0.01 0.89 0.63 0.00 -1.64 0.00 0.00 178.16 178.05 2k14 h ARG 16 N 0.85 1.32 -0.46 1.82 3.08 -0.75 -1.55 114.38 118.68 2k14 h ARG 16 Ca 0.18 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 2k14 h ARG 16 Cb 0.42 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2k14 h ARG 16 CO 0.01 0.89 -0.10 1.49 -1.07 0.00 0.00 179.97 181.19 2k14 h GLU 17 N 1.35 0.88 0.00 0.04 4.81 -0.80 -3.05 114.58 117.81 2k14 h GLU 17 Ca 0.36 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2k14 h GLU 17 Cb -0.12 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 2k14 h GLU 17 CO -0.07 0.97 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.64 2k14 h ASP 18 N 0.72 0.00 0.02 1.04 3.32 -0.64 -1.43 116.42 119.46 2k14 h ASP 18 Ca 0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2k14 h ASP 18 Cb 0.64 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 2k14 h ASP 18 CO 0.04 0.10 -0.04 -0.78 -1.72 0.00 0.00 179.24 176.85 2k14 h ASP 19 N 0.00 0.04 0.37 6.45 3.58 -1.18 -2.20 116.42 123.48 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 0.23 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2k14 h ASP 19 CO 0.01 0.08 0.00 0.18 -2.88 0.00 0.00 179.24 176.63 2k14 n LEU 20 N -4.47 0.65 0.00 2.28 4.77 -0.54 -2.38 117.00 117.31 2k14 n LEU 20 Ca -0.02 0.72 0.03 0.00 -0.03 0.00 0.00 56.01 56.71 2k14 n LEU 20 Cb 0.13 -0.71 0.16 0.00 -2.33 0.00 0.00 43.42 40.67 2k14 n LEU 20 CO 0.35 -0.78 0.57 -1.14 -1.33 0.00 0.00 177.39 175.06 2k14 n ARG 21 N -2.29 0.05 -0.61 3.23 0.63 -0.83 -1.43 116.66 115.42 2k14 n ARG 21 Ca 0.00 0.29 0.08 0.00 -0.92 0.00 0.00 57.85 57.31 2k14 n ARG 21 Cb 0.13 -1.50 0.32 0.00 0.45 0.00 0.00 32.46 31.86 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 -0.74 3.57 3.26 5.14 0.00 -1.00 -4.54 105.19 110.88 2k14 n GLY 22 Ca 0.03 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.72 1.09 0.09 1.61 0.52 -0.51 -5.07 118.95 113.95 2k14 s ARG 23 Ca 0.47 -1.45 -0.03 0.00 -0.52 0.00 0.00 55.73 54.20 2k14 s ARG 23 Cb 0.36 -0.70 -0.05 0.00 0.52 0.00 0.00 34.95 35.08 2k14 s ARG 23 CO 0.12 0.10 0.29 -1.17 0.02 0.00 0.00 175.30 174.66 2k14 s LEU 24 N -3.12 4.32 0.00 2.53 2.96 -1.26 -2.19 118.68 121.91 2k14 s LEU 24 Ca 0.17 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2k14 s LEU 24 Cb 0.01 -3.07 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 2k14 s LEU 24 CO 0.02 0.13 0.16 0.61 -1.32 0.00 0.00 176.35 175.95 2k14 n GLY 25 N 0.34 3.23 2.87 7.98 0.00 0.99 -1.20 105.19 119.39 2k14 n GLY 25 Ca -0.05 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.54 0.13 0.15 1.61 2.47 0.48 -1.11 119.74 120.92 2k14 s LYS 26 Ca 0.17 0.52 -0.30 0.00 -1.56 0.00 0.00 55.97 54.80 2k14 s LYS 26 Cb 0.00 -0.48 -0.07 0.00 -1.46 0.00 0.00 37.83 35.82 2k14 s LYS 26 CO 0.12 -0.41 1.14 0.08 0.16 0.00 0.00 175.35 176.44 2k14 s VAL 27 N 2.35 3.86 0.00 4.02 1.01 -0.82 -1.34 120.40 129.48 2k14 s VAL 27 Ca 0.04 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2k14 s VAL 27 Cb -0.13 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2k14 s VAL 27 CO -0.09 0.22 0.00 2.30 0.00 0.00 0.00 175.10 177.53 2k14 n ILE 28 N 2.80 0.00 -3.72 2.22 -5.35 -0.08 -0.99 119.36 114.24 2k14 n ILE 28 Ca 0.05 -0.37 -0.15 0.00 -0.27 0.00 0.00 62.75 62.01 2k14 n ILE 28 Cb 0.46 0.99 -0.15 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.75 -0.13 0.34 7.28 2.01 -1.15 -4.91 115.64 118.33 2k14 s THR 29 Ca 0.00 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 2k14 s THR 29 Cb 0.00 -0.27 -0.12 0.00 0.01 0.00 0.00 72.50 72.12 2k14 s THR 29 CO 0.00 0.10 1.32 0.00 -0.69 0.00 0.00 174.62 175.35 2k14 n ALA 30 N 4.64 1.40 -3.91 7.40 0.00 -1.26 -1.26 120.51 127.52 2k14 n ALA 30 Ca -0.18 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 2k14 n ALA 30 Cb 0.51 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.01 2.74 0.97 0.00 1.01 -0.13 -3.63 120.40 120.35 2k14 s VAL 31 Ca 0.56 -2.59 -0.14 0.00 0.00 0.00 0.00 61.98 59.81 2k14 s VAL 31 Cb -0.56 -2.93 0.18 0.00 0.00 0.00 0.00 36.38 33.07 2k14 s VAL 31 CO 0.61 -0.70 1.18 -2.16 0.00 0.00 0.00 175.10 174.03 2k14 s PRO 32 N 0.56 0.63 0.59 2.72 0.04 -1.26 -0.56 135.00 137.72 2k14 s PRO 32 Ca 0.12 0.05 0.29 0.00 0.04 0.00 0.00 61.00 61.50 2k14 s PRO 32 Cb -0.22 -1.80 1.55 0.00 0.04 0.00 0.00 34.50 34.08 2k14 s PRO 32 CO -0.05 -2.50 1.98 -0.39 0.04 0.00 0.00 177.00 176.09 2k14 h VAL 33 N -1.71 0.41 0.00 -0.36 -1.51 -1.88 -2.57 116.25 108.62 2k14 h VAL 33 Ca -0.48 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.91 2k14 h VAL 33 Cb 1.30 0.71 -0.17 0.00 -2.13 0.00 0.00 31.29 31.01 2k14 h VAL 33 CO 0.51 0.00 -0.71 -0.90 -1.23 0.00 0.00 177.57 175.25 2k14 n ASP 34 N -3.74 0.40 -0.60 4.19 5.75 -1.26 -4.33 116.55 116.96 2k14 n ASP 34 Ca 0.05 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 2k14 n ASP 34 Cb 0.52 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.21 4.95 3.17 6.12 0.00 -0.97 -5.08 105.19 113.59 2k14 n GLY 35 Ca 0.02 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.15 1.37 0.00 1.61 0.40 -1.26 -4.20 117.98 114.75 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 4.57 3.12 4.36 0.00 -0.29 -4.62 105.19 114.21 2k14 n GLY 37 Ca -0.18 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 3.65 0.59 0.07 1.61 2.02 -0.39 -0.78 118.70 125.47 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 0.23 -0.00 0.00 0.10 0.00 0.00 34.13 34.46 2k14 s GLU 38 CO 0.00 -0.15 0.16 0.54 0.02 0.00 0.00 175.26 175.83 2k14 s VAL 39 N -2.65 0.14 0.04 2.63 0.11 -0.14 -0.90 120.40 119.63 2k14 s VAL 39 Ca -0.05 -1.16 0.05 0.00 -2.93 0.00 0.00 61.98 57.90 2k14 s VAL 39 Cb -0.01 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 2k14 s VAL 39 CO -0.05 -0.64 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.24 2k14 s VAL 40 N -3.40 1.23 0.47 2.04 1.01 -0.45 -0.73 120.40 120.57 2k14 s VAL 40 Ca 0.01 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 2k14 s VAL 40 Cb 0.03 -1.10 -0.08 0.00 0.00 0.00 0.00 36.38 35.23 2k14 s VAL 40 CO -0.08 0.07 1.11 -0.63 0.00 0.00 0.00 175.10 175.57 2k14 s ILE 41 N -0.80 3.36 -0.37 2.22 -1.09 -1.26 -0.38 121.20 122.87 2k14 s ILE 41 Ca 0.03 0.96 0.14 0.00 -2.23 0.00 0.00 60.65 59.54 2k14 s ILE 41 Cb -0.08 -3.45 0.14 0.00 -1.58 0.00 0.00 42.46 37.49 2k14 s ILE 41 CO 0.01 -0.08 1.39 -0.62 -1.23 0.00 0.00 174.94 174.41 2k14 n GLU 42 N -0.65 0.09 -0.37 2.79 -0.58 -0.34 -3.02 120.64 118.55 2k14 n GLU 42 Ca 0.08 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 2k14 n GLU 42 Cb 0.50 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 -1.34 2.04 0.47 0.62 0.00 -1.26 -4.76 105.19 100.97 2k14 n GLY 43 Ca -0.01 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 1.17 0.22 0.00 -0.61 -2.65 -1.88 0.73 117.51 114.49 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 0.78 0.35 0.00 0.00 -2.05 0.00 0.00 36.82 35.91 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 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 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 -0.91 0.87 3.67 4.60 0.00 0.11 -5.14 105.19 108.38 2k14 n GLY 46 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 1.78 -0.03 2.61 -4.23 -0.40 -5.10 115.64 110.28 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 -2.57 -0.00 0.00 1.34 0.00 0.00 72.50 71.27 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 -3.12 1.12 0.57 2.99 1.01 -1.26 -4.90 121.20 117.61 2k14 s ILE 48 Ca 0.69 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 60.60 2k14 s ILE 48 Cb -0.12 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 2k14 s ILE 48 CO 0.56 0.33 1.18 -0.44 0.00 0.00 0.00 174.94 176.57 2k14 s SER 49 N 0.09 5.45 0.08 3.58 0.01 -1.26 -4.45 113.70 117.19 2k14 s SER 49 Ca -0.03 2.32 -0.03 0.00 1.31 0.00 0.00 55.95 59.52 2k14 s SER 49 Cb -0.10 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 2k14 s SER 49 CO 0.01 -1.41 0.06 -0.54 0.41 0.00 0.00 173.24 171.77 2k14 s LYS 50 N -3.26 0.76 0.62 12.44 -0.14 0.09 -5.00 119.74 125.24 2k14 s LYS 50 Ca 0.75 -1.19 -0.15 0.00 -1.36 0.00 0.00 55.97 54.02 2k14 s LYS 50 Cb -0.28 0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 36.10 2k14 s LYS 50 CO 0.31 -0.19 1.06 -1.12 -0.76 0.00 0.00 175.35 174.65 2k14 s SER 51 N -2.93 5.68 0.01 2.83 0.01 -0.72 -0.96 113.70 117.61 2k14 s SER 51 Ca 0.10 1.79 -0.06 0.00 1.31 0.00 0.00 55.95 59.08 2k14 s SER 51 Cb 0.07 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.77 2k14 s SER 51 CO -0.08 -1.24 0.11 0.00 0.41 0.00 0.00 173.24 172.45 2k14 s ALA 52 N -2.56 -0.26 0.14 1.44 0.00 0.04 -1.11 121.76 119.46 2k14 s ALA 52 Ca 0.63 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.43 2k14 s ALA 52 Cb -0.16 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2k14 s ALA 52 CO 0.40 -0.21 -0.13 0.14 0.00 0.00 0.00 175.76 175.96 2k14 s VAL 53 N -1.47 1.38 -0.18 0.00 -7.23 -0.08 -1.14 120.40 111.68 2k14 s VAL 53 Ca -0.14 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 2k14 s VAL 53 Cb -0.08 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 2k14 s VAL 53 CO 0.01 -0.51 1.24 -0.55 -0.31 0.00 0.00 175.10 174.97 2k14 s SER 54 N -2.76 6.95 0.25 4.85 0.15 -1.26 -1.15 113.70 120.74 2k14 s SER 54 Ca 0.13 1.63 0.09 0.00 0.70 0.00 0.00 55.95 58.50 2k14 s SER 54 Cb -0.03 -2.54 0.27 0.00 -1.71 0.00 0.00 66.02 62.02 2k14 s SER 54 CO 0.03 -0.77 1.56 0.15 1.20 0.00 0.00 173.24 175.42 2k14 h PHE 55 N 8.17 0.06 -0.55 3.44 3.57 -1.36 -3.36 116.94 126.92 2k14 h PHE 55 Ca -0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2k14 h PHE 55 Cb 1.10 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2k14 h PHE 55 CO 0.80 0.69 0.00 -0.40 -2.23 0.00 0.00 178.31 177.17 2k14 n ASP 56 N -3.77 3.49 -3.72 0.41 5.75 -1.26 -4.98 116.55 112.47 2k14 n ASP 56 Ca -0.01 -2.02 -0.23 0.00 -0.01 0.00 0.00 54.79 52.52 2k14 n ASP 56 Cb 0.65 -0.37 0.04 0.00 -1.03 0.00 0.00 41.12 40.41 2k14 n ASP 56 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2k14 n ASN 57 N 1.08 -2.00 -4.21 -1.12 5.15 -1.26 -5.02 115.26 107.87 2k14 n ASN 57 Ca 0.18 -0.80 -0.15 0.00 -0.60 0.00 0.00 54.58 53.22 2k14 n ASN 57 Cb 0.54 -4.10 -0.11 0.00 -0.53 0.00 0.00 39.78 35.58 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 -6.08 0.95 0.06 1.20 -1.52 -1.26 -4.83 119.66 108.18 2k14 s GLN 58 Ca 0.14 -1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 52.00 2k14 s GLN 58 Cb -0.07 -0.66 -0.05 0.00 -0.22 0.00 0.00 33.01 32.02 2k14 s GLN 58 CO 0.81 0.10 0.93 -1.14 -0.25 0.00 0.00 175.29 175.74 2k14 s GLN 59 N -3.03 4.62 -0.57 2.91 0.74 -1.26 -3.72 119.66 119.35 2k14 s GLN 59 Ca 0.10 1.37 0.04 0.00 0.05 0.00 0.00 55.36 56.91 2k14 s GLN 59 Cb -0.02 -3.40 0.16 0.00 1.10 0.00 0.00 33.01 30.84 2k14 s GLN 59 CO 0.01 0.13 0.37 0.42 -0.55 0.00 0.00 175.29 175.68 2k14 s ILE 60 N 0.35 2.09 1.02 -2.34 1.01 0.28 -4.98 121.20 118.63 2k14 s ILE 60 Ca 0.47 -3.48 -0.12 0.00 0.00 0.00 0.00 60.65 57.52 2k14 s ILE 60 Cb -0.22 -2.41 0.20 0.00 0.01 0.00 0.00 42.46 40.04 2k14 s ILE 60 CO 0.28 -0.99 1.08 -0.44 0.00 0.00 0.00 174.94 174.87 2k14 s SER 61 N -0.62 2.31 0.32 3.58 0.01 -1.26 -0.96 113.70 117.07 2k14 s SER 61 Ca 0.23 1.48 -0.28 0.00 1.31 0.00 0.00 55.95 58.70 2k14 s SER 61 Cb -0.11 -2.16 -0.13 0.00 0.21 0.00 0.00 66.02 63.82 2k14 s SER 61 CO -0.11 -3.37 1.06 0.00 0.41 0.00 0.00 173.24 171.23 2k14 n TYR 62 N -4.36 1.44 -2.28 2.43 9.36 -1.26 -3.80 117.16 118.69 2k14 n TYR 62 Ca 0.06 0.66 -0.06 0.00 3.32 0.00 0.00 57.90 61.87 2k14 n TYR 62 Cb 0.55 -2.28 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 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 1.13 0.22 3.42 2.98 0.00 -0.16 -5.01 105.19 107.76 2k14 n GLY 63 Ca 0.09 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.48 2.38 -0.18 2.61 -1.32 -1.25 -4.95 115.64 110.45 2k14 s THR 64 Ca 0.04 -1.88 -0.17 0.00 -1.21 0.00 0.00 61.69 58.47 2k14 s THR 64 Cb -0.02 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.83 2k14 s THR 64 CO 0.05 -0.03 0.43 -0.89 -2.21 0.00 0.00 174.62 171.98 2k14 s THR 65 N -1.41 5.18 0.04 5.08 2.01 -1.26 -1.95 115.64 123.33 2k14 s THR 65 Ca 0.18 0.80 0.05 0.00 0.31 0.00 0.00 61.69 63.04 2k14 s THR 65 Cb -0.09 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2k14 s THR 65 CO 0.09 0.26 -0.15 0.68 -0.69 0.00 0.00 174.62 174.81 2k14 s VAL 66 N 1.17 1.15 -0.18 3.82 -7.23 -0.27 -1.96 120.40 116.91 2k14 s VAL 66 Ca 0.21 -1.03 -0.15 0.00 -1.81 0.00 0.00 61.98 59.21 2k14 s VAL 66 Cb -0.15 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 2k14 s VAL 66 CO 0.08 0.01 0.34 -0.22 -0.31 0.00 0.00 175.10 175.01 2k14 s LEU 67 N -1.16 4.20 -0.02 1.32 2.96 0.09 -0.01 118.68 126.07 2k14 s LEU 67 Ca 0.02 0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 54.14 2k14 s LEU 67 Cb -0.08 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2k14 s LEU 67 CO 0.01 0.02 1.21 -0.69 -1.32 0.00 0.00 176.35 175.58 2k14 s VAL 68 N 0.87 4.17 0.00 1.68 1.01 -0.93 -1.75 120.40 125.44 2k14 s VAL 68 Ca 0.18 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2k14 s VAL 68 Cb -0.14 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2k14 s VAL 68 CO 0.06 0.03 0.00 1.33 0.00 0.00 0.00 175.10 176.53 2k14 n VAL 69 N 4.41 0.00 -3.82 2.92 0.24 0.01 -4.47 118.33 117.62 2k14 n VAL 69 Ca 0.10 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.31 2k14 n VAL 69 Cb 0.46 0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.84 -0.06 -0.09 -1.34 -1.08 -0.99 -5.03 116.67 106.25 2k14 s ASP 70 Ca 0.00 -0.62 -0.09 0.00 -0.52 0.00 0.00 52.55 51.32 2k14 s ASP 70 Cb 0.00 0.45 0.02 0.00 -1.46 0.00 0.00 42.92 41.93 2k14 s ASP 70 CO 0.00 -0.87 0.25 -0.63 0.52 0.00 0.00 175.17 174.44 2k14 s ILE 71 N -3.89 0.01 0.13 4.11 1.01 -1.26 -0.15 121.20 121.16 2k14 s ILE 71 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2k14 s ILE 71 Cb 0.03 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2k14 s ILE 71 CO -0.06 -0.04 -0.06 0.21 0.00 0.00 0.00 174.94 174.99 2k14 s ASN 72 N -0.04 1.35 -0.76 3.58 3.84 -0.75 -4.96 114.94 117.21 2k14 s ASN 72 Ca -0.02 -1.04 -0.27 0.00 0.21 0.00 0.00 52.86 51.74 2k14 s ASN 72 Cb -0.02 0.07 -0.15 0.00 -0.55 0.00 0.00 41.25 40.59 2k14 s ASN 72 CO 0.01 -0.45 2.52 0.59 -2.79 0.00 0.00 177.10 176.98 2k14 n ASN 73 N -0.13 1.20 0.00 -4.21 4.13 -1.26 -0.77 115.26 114.22 2k14 n ASN 73 Ca -0.10 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.87 2k14 n ASN 73 Cb 0.61 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 2k14 n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k14 n GLY 74 N 6.24 0.28 2.64 7.41 0.00 -1.26 -4.96 105.19 115.54 2k14 n GLY 74 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.63 1.19 0.49 1.61 1.01 0.05 -1.76 120.40 121.35 2k14 s VAL 75 Ca 0.00 -2.66 -0.20 0.00 0.00 0.00 0.00 61.98 59.12 2k14 s VAL 75 Cb 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2k14 s VAL 75 CO 0.00 -0.99 1.04 -0.76 0.00 0.00 0.00 175.10 174.40 2k14 s LEU 76 N 0.18 3.84 -0.24 3.92 1.02 -0.27 -1.81 118.68 125.33 2k14 s LEU 76 Ca 0.21 1.95 -0.06 0.00 0.02 0.00 0.00 54.13 56.25 2k14 s LEU 76 Cb -0.16 -4.56 -0.02 0.00 0.02 0.00 0.00 46.19 41.47 2k14 s LEU 76 CO -0.06 -0.81 0.02 -0.55 0.02 0.00 0.00 176.35 174.98 2k14 s SER 77 N -1.96 4.79 0.18 2.29 0.15 0.78 -0.90 113.70 119.04 2k14 s SER 77 Ca 0.68 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 57.09 2k14 s SER 77 Cb -0.17 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.25 2k14 s SER 77 CO 0.20 -0.02 -0.07 0.68 1.20 0.00 0.00 173.24 175.22 2k14 s VAL 78 N 1.53 1.18 -0.02 4.45 -7.23 -0.30 -0.81 120.40 119.20 2k14 s VAL 78 Ca 0.06 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2k14 s VAL 78 Cb -0.15 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.78 2k14 s VAL 78 CO 0.01 -0.60 0.04 0.28 -0.31 0.00 0.00 175.10 174.52 2k14 s THR 79 N -3.32 -0.00 -0.86 5.32 -1.32 -0.72 -0.97 115.64 113.77 2k14 s THR 79 Ca 0.21 0.01 -0.25 0.00 -1.21 0.00 0.00 61.69 60.45 2k14 s THR 79 Cb 0.03 -0.07 -0.03 0.00 -1.51 0.00 0.00 72.50 70.93 2k14 s THR 79 CO 0.04 0.00 1.83 -2.16 -2.21 0.00 0.00 174.62 172.12 2k14 s PRO 80 N 0.07 2.74 0.24 7.08 0.04 -1.26 -0.73 135.00 143.19 2k14 s PRO 80 Ca -0.00 -0.23 -0.05 0.00 0.04 0.00 0.00 61.00 60.76 2k14 s PRO 80 Cb -0.01 -4.94 0.27 0.00 0.04 0.00 0.00 34.50 29.86 2k14 s PRO 80 CO -0.00 -3.04 1.79 1.25 0.04 0.00 0.00 177.00 177.04 2k14 h HIS 81 N 11.73 1.05 -6.96 0.56 2.76 -1.79 -3.48 115.15 119.03 2k14 h HIS 81 Ca 0.03 -0.10 -0.53 0.00 -2.20 0.00 0.00 60.37 57.58 2k14 h HIS 81 Cb 1.04 -0.31 -0.07 0.00 1.55 0.00 0.00 27.41 29.62 2k14 h HIS 81 CO 1.19 0.84 -0.86 0.39 -1.30 0.00 0.00 177.93 178.18 2k14 n GLU 82 N -4.27 -0.53 -1.18 5.26 -0.58 -0.83 -4.94 120.64 113.58 2k14 n GLU 82 Ca 0.05 0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.49 2k14 n GLU 82 Cb 0.22 -2.34 0.11 0.00 -0.57 0.00 0.00 31.44 28.86 2k14 n GLU 82 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2k14 s PRO 83 N -7.03 1.93 0.00 3.49 0.04 -1.26 -5.09 135.00 127.08 2k14 s PRO 83 Ca 0.28 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2k14 s PRO 83 Cb -0.16 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2k14 s PRO 83 CO 0.85 -1.87 0.51 -0.89 0.04 0.00 0.00 177.00 175.63