#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 0.76 -0.24 1.61 4.64 -2.05 -1.32 113.55 116.95 2k14 h SER 2 Ca 0.00 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2k14 h SER 2 Cb 0.00 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2k14 h SER 2 CO 0.00 0.48 0.16 1.12 -0.87 0.00 0.00 176.83 177.72 2k14 h HIS 3 N 0.85 0.21 -0.13 4.77 -0.00 -2.05 -0.47 115.15 118.33 2k14 h HIS 3 Ca 0.35 0.01 -0.22 0.00 -0.00 0.00 0.00 60.37 60.51 2k14 h HIS 3 Cb 0.28 -0.07 0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2k14 h HIS 3 CO -0.00 0.13 -0.80 0.52 -0.00 0.00 0.00 177.93 177.77 2k14 h MET 4 N 0.22 0.76 -0.70 5.12 0.00 -1.68 -1.37 114.93 117.29 2k14 h MET 4 Ca 0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 59.70 59.10 2k14 h MET 4 Cb 0.12 0.15 -0.03 0.00 0.00 0.00 0.00 31.60 31.83 2k14 h MET 4 CO -0.02 1.26 0.25 -0.07 0.00 0.00 0.00 176.91 178.33 2k14 h LEU 5 N 0.49 0.99 -0.80 1.22 3.38 -1.20 -1.00 115.31 118.38 2k14 h LEU 5 Ca -0.06 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 2k14 h LEU 5 Cb 1.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2k14 h LEU 5 CO 0.16 0.91 0.18 -0.33 0.09 0.00 0.00 178.44 179.45 2k14 h GLU 6 N 1.01 1.08 -0.83 1.13 5.08 -1.13 -0.96 114.58 119.96 2k14 h GLU 6 Ca 0.23 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2k14 h GLU 6 Cb 0.25 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2k14 h GLU 6 CO -0.01 0.94 0.40 0.77 -1.00 0.00 0.00 179.01 180.11 2k14 h SER 7 N 1.03 1.09 -0.27 1.42 0.02 -0.90 -0.82 113.55 115.12 2k14 h SER 7 Ca 0.22 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 2k14 h SER 7 Cb 0.34 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2k14 h SER 7 CO -0.00 0.92 -0.16 0.28 -1.14 0.00 0.00 176.83 176.73 2k14 h SER 8 N 1.18 0.71 -0.40 3.07 0.02 -0.99 -0.65 113.55 116.50 2k14 h SER 8 Ca 0.29 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2k14 h SER 8 Cb 0.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2k14 h SER 8 CO -0.04 0.88 0.05 0.00 -1.14 0.00 0.00 176.83 176.58 2k14 h ALA 9 N 1.19 0.53 -0.41 3.77 0.00 -0.83 -0.19 119.26 123.32 2k14 h ALA 9 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2k14 h ALA 9 Cb 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2k14 h ALA 9 CO 0.04 0.26 -0.14 0.93 0.00 0.00 0.00 179.25 180.34 2k14 h GLU 10 N 0.52 0.75 -0.67 0.00 4.39 -1.10 -1.07 114.58 117.40 2k14 h GLU 10 Ca 0.12 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2k14 h GLU 10 Cb 0.39 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2k14 h GLU 10 CO 0.01 0.85 0.20 1.49 -1.16 0.00 0.00 179.01 180.40 2k14 h GLU 11 N 0.67 1.03 -0.37 2.33 4.81 -1.03 -0.53 114.58 121.50 2k14 h GLU 11 Ca 0.11 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 2k14 h GLU 11 Cb 0.62 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2k14 h GLU 11 CO 0.04 0.89 -0.13 0.77 -0.73 0.00 0.00 179.01 179.86 2k14 h SER 12 N 0.99 0.64 -0.37 1.04 0.02 -0.76 -1.24 113.55 113.87 2k14 h SER 12 Ca 0.22 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2k14 h SER 12 Cb 0.30 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2k14 h SER 12 CO -0.01 0.79 -0.04 0.25 -1.14 0.00 0.00 176.83 176.69 2k14 h LEU 13 N 0.59 0.67 -1.35 5.07 6.46 -0.92 -0.95 115.31 124.89 2k14 h LEU 13 Ca 0.10 -0.33 0.04 0.00 -0.12 0.00 0.00 57.88 57.57 2k14 h LEU 13 Cb 0.56 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 2k14 h LEU 13 CO 0.04 0.84 0.47 0.00 -0.62 0.00 0.00 178.44 179.17 2k14 h ALA 14 N 0.85 1.62 -0.37 1.25 0.00 -0.92 -0.02 119.26 121.67 2k14 h ALA 14 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2k14 h ALA 14 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k14 h ALA 14 CO 0.03 0.29 -0.20 -0.92 0.00 0.00 0.00 179.25 178.45 2k14 h TYR 15 N 0.83 0.79 -0.70 0.00 3.20 -0.96 -0.64 116.97 119.49 2k14 h TYR 15 Ca 0.30 -0.17 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2k14 h TYR 15 Cb 0.13 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2k14 h TYR 15 CO -0.00 0.85 0.15 0.00 -1.64 0.00 0.00 178.16 177.52 2k14 h ARG 16 N 0.63 1.13 -0.41 1.82 2.47 -0.01 -2.68 114.38 117.33 2k14 h ARG 16 Ca 0.09 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 2k14 h ARG 16 Cb 0.68 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 2k14 h ARG 16 CO 0.05 1.01 0.23 0.93 0.56 0.00 0.00 179.97 182.74 2k14 h GLU 17 N 1.07 0.58 0.00 0.04 5.08 -0.94 -2.94 114.58 117.47 2k14 h GLU 17 Ca 0.22 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2k14 h GLU 17 Cb 0.39 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k14 h GLU 17 CO 0.01 0.47 -0.00 0.22 -1.00 0.00 0.00 179.01 178.70 2k14 h ASP 18 N 0.54 0.00 -0.64 1.42 3.58 -0.86 0.09 116.42 120.55 2k14 h ASP 18 Ca 0.15 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 2k14 h ASP 18 Cb 0.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2k14 h ASP 18 CO -0.02 0.00 0.25 -0.78 -2.88 0.00 0.00 179.24 175.80 2k14 h ASP 19 N 0.00 0.92 0.63 2.28 1.82 -1.29 -2.68 116.42 118.10 2k14 h ASP 19 Ca -0.00 -0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.46 2k14 h ASP 19 Cb 0.00 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 2k14 h ASP 19 CO 0.00 0.83 -0.18 -0.07 -1.61 0.00 0.00 179.24 178.21 2k14 h LEU 20 N 0.97 0.00 0.00 2.28 4.07 -1.08 -2.72 115.31 118.83 2k14 h LEU 20 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2k14 h LEU 20 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2k14 h LEU 20 CO -0.02 0.18 0.00 -1.14 -1.08 0.00 0.00 178.44 176.38 2k14 n ARG 21 N -3.51 0.13 -0.58 1.13 0.63 -1.01 -1.73 116.66 111.71 2k14 n ARG 21 Ca -0.01 0.21 0.08 0.00 -0.92 0.00 0.00 57.85 57.21 2k14 n ARG 21 Cb 0.33 -1.50 0.32 0.00 0.45 0.00 0.00 32.46 32.06 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 -0.37 3.24 3.19 5.14 0.00 -1.02 -4.70 105.19 110.66 2k14 n GLY 22 Ca 0.05 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.30 0.86 0.57 1.61 1.81 -0.71 -5.10 118.95 115.69 2k14 s ARG 23 Ca 0.46 -1.06 -0.11 0.00 -1.72 0.00 0.00 55.73 53.29 2k14 s ARG 23 Cb 0.33 -0.76 -0.05 0.00 -0.45 0.00 0.00 34.95 34.03 2k14 s ARG 23 CO 0.16 0.15 0.97 -0.51 -0.68 0.00 0.00 175.30 175.40 2k14 s LEU 24 N -2.07 3.40 0.00 2.53 2.01 -1.26 -3.04 118.68 120.24 2k14 s LEU 24 Ca 0.02 1.37 0.05 0.00 0.01 0.00 0.00 54.13 55.58 2k14 s LEU 24 Cb -0.07 -4.38 -0.02 0.00 0.01 0.00 0.00 46.19 41.74 2k14 s LEU 24 CO 0.02 -0.75 0.17 0.61 1.01 0.00 0.00 176.35 177.41 2k14 n GLY 25 N -2.36 3.36 2.81 -3.19 0.00 1.00 -1.30 105.19 105.51 2k14 n GLY 25 Ca 0.05 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.84 0.12 0.17 1.61 2.47 0.74 -1.14 119.74 120.86 2k14 s LYS 26 Ca 0.24 0.39 -0.30 0.00 -1.56 0.00 0.00 55.97 54.74 2k14 s LYS 26 Cb 0.01 -0.74 -0.08 0.00 -1.46 0.00 0.00 37.83 35.56 2k14 s LYS 26 CO 0.17 -0.48 1.19 0.08 0.16 0.00 0.00 175.35 176.47 2k14 s VAL 27 N 2.32 3.66 0.00 4.02 1.01 -1.01 -1.25 120.40 129.15 2k14 s VAL 27 Ca 0.04 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2k14 s VAL 27 Cb -0.14 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2k14 s VAL 27 CO -0.09 0.20 0.00 2.30 0.00 0.00 0.00 175.10 177.51 2k14 n ILE 28 N 2.69 0.00 -3.75 2.22 -5.35 -0.13 -1.03 119.36 114.02 2k14 n ILE 28 Ca 0.05 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.12 2k14 n ILE 28 Cb 0.45 0.81 -0.16 0.00 -1.74 0.00 0.00 39.64 39.00 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 -0.93 -0.07 0.29 7.28 2.01 -1.14 -4.89 115.64 118.19 2k14 s THR 29 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2k14 s THR 29 Cb 0.00 -0.14 -0.13 0.00 0.01 0.00 0.00 72.50 72.24 2k14 s THR 29 CO 0.00 0.10 1.34 0.00 -0.69 0.00 0.00 174.62 175.37 2k14 n ALA 30 N 4.38 1.16 -3.89 7.40 0.00 -1.26 -1.41 120.51 126.89 2k14 n ALA 30 Ca -0.24 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 2k14 n ALA 30 Cb 0.50 -2.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.57 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 -0.58 2.89 0.96 0.00 1.01 -0.01 -3.55 120.40 121.12 2k14 s VAL 31 Ca 0.62 -2.93 -0.14 0.00 0.00 0.00 0.00 61.98 59.53 2k14 s VAL 31 Cb -0.61 -2.99 0.17 0.00 0.00 0.00 0.00 36.38 32.95 2k14 s VAL 31 CO 0.56 -0.77 1.16 -2.16 0.00 0.00 0.00 175.10 173.88 2k14 s PRO 32 N 0.12 0.75 0.57 2.72 0.04 -1.26 -0.68 135.00 137.25 2k14 s PRO 32 Ca 0.15 0.14 0.28 0.00 0.04 0.00 0.00 61.00 61.61 2k14 s PRO 32 Cb -0.23 -1.81 1.49 0.00 0.04 0.00 0.00 34.50 33.99 2k14 s PRO 32 CO -0.03 -2.43 1.96 -0.39 0.04 0.00 0.00 177.00 176.15 2k14 h VAL 33 N -1.66 0.50 -0.06 -0.36 -1.51 -1.86 -2.55 116.25 108.74 2k14 h VAL 33 Ca -0.49 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.80 2k14 h VAL 33 Cb 1.31 0.68 -0.36 0.00 -2.13 0.00 0.00 31.29 30.80 2k14 h VAL 33 CO 0.55 0.00 -0.96 -0.67 -1.23 0.00 0.00 177.57 175.26 2k14 n ASP 34 N -3.96 0.83 -0.52 4.19 2.03 -1.26 -4.37 116.55 113.49 2k14 n ASP 34 Ca 0.08 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.39 2k14 n ASP 34 Cb 0.62 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 4.66 3.17 0.27 0.00 -0.96 -5.09 105.19 107.49 2k14 n GLY 35 Ca 0.02 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.44 1.38 0.00 1.61 0.40 -1.26 -4.19 117.98 114.48 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 1.86 4.63 3.12 4.36 0.00 -0.14 -4.62 105.19 114.40 2k14 n GLY 37 Ca -0.18 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 3.92 0.61 0.07 1.61 2.02 -0.50 -0.98 118.70 125.44 2k14 s GLU 38 Ca 0.00 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.17 2k14 s GLU 38 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.46 2k14 s GLU 38 CO 0.00 -0.15 0.13 0.54 0.02 0.00 0.00 175.26 175.80 2k14 s VAL 39 N -2.65 0.15 0.04 2.63 0.11 -0.26 -0.96 120.40 119.46 2k14 s VAL 39 Ca -0.05 -1.26 0.05 0.00 -2.93 0.00 0.00 61.98 57.80 2k14 s VAL 39 Cb -0.01 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.56 2k14 s VAL 39 CO -0.05 -0.70 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.18 2k14 s VAL 40 N -3.55 1.24 0.48 2.04 1.01 -0.38 -0.71 120.40 120.53 2k14 s VAL 40 Ca 0.03 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 2k14 s VAL 40 Cb 0.04 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 2k14 s VAL 40 CO -0.09 0.07 1.11 -0.63 0.00 0.00 0.00 175.10 175.56 2k14 s ILE 41 N -0.81 3.35 -0.52 2.22 -1.09 -1.26 -0.18 121.20 122.91 2k14 s ILE 41 Ca 0.03 0.94 0.13 0.00 -2.23 0.00 0.00 60.65 59.52 2k14 s ILE 41 Cb -0.08 -3.44 0.13 0.00 -1.58 0.00 0.00 42.46 37.49 2k14 s ILE 41 CO 0.01 -0.09 1.38 -0.62 -1.23 0.00 0.00 174.94 174.40 2k14 n GLU 42 N -0.72 0.08 -0.38 2.79 -0.58 -0.42 -3.22 120.64 118.19 2k14 n GLU 42 Ca 0.08 0.58 -0.01 0.00 -0.42 0.00 0.00 57.16 57.39 2k14 n GLU 42 Cb 0.50 -1.78 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 -1.38 1.93 0.39 0.62 0.00 -1.26 -4.76 105.19 100.73 2k14 n GLY 43 Ca -0.01 -0.08 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 1.41 0.10 0.00 -0.61 -0.00 -1.90 0.64 117.51 117.15 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 0.72 0.39 0.00 0.00 -0.00 0.00 0.00 36.82 37.94 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 -3.39 103.07 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 -0.47 0.94 3.68 4.60 0.00 0.09 -5.14 105.19 108.89 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 1.86 -0.01 2.61 -4.23 -0.43 -5.10 115.64 110.34 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 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 2k14 s THR 47 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2k14 s ILE 48 N -3.08 1.08 0.54 2.99 1.01 -1.26 -4.90 121.20 117.57 2k14 s ILE 48 Ca 0.68 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 2k14 s ILE 48 Cb -0.14 -0.90 -0.06 0.00 0.01 0.00 0.00 42.46 41.37 2k14 s ILE 48 CO 0.56 0.29 1.12 -0.94 0.00 0.00 0.00 174.94 175.97 2k14 s SER 49 N -0.35 5.79 0.09 3.58 1.04 -1.26 -4.35 113.70 118.24 2k14 s SER 49 Ca 0.05 2.15 -0.05 0.00 0.48 0.00 0.00 55.95 58.58 2k14 s SER 49 Cb -0.05 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 2k14 s SER 49 CO -0.00 -1.17 0.10 -0.54 0.98 0.00 0.00 173.24 172.61 2k14 s LYS 50 N -3.28 0.81 0.58 4.02 -0.14 0.11 -5.00 119.74 116.84 2k14 s LYS 50 Ca 0.72 -1.16 -0.18 0.00 -1.36 0.00 0.00 55.97 53.99 2k14 s LYS 50 Cb -0.23 0.28 -0.04 0.00 -1.68 0.00 0.00 37.83 36.16 2k14 s LYS 50 CO 0.26 -0.23 1.13 0.45 -0.76 0.00 0.00 175.35 176.21 2k14 s SER 51 N -2.93 5.51 -0.00 2.83 0.15 -1.03 -1.10 113.70 117.13 2k14 s SER 51 Ca 0.10 2.16 -0.05 0.00 0.70 0.00 0.00 55.95 58.87 2k14 s SER 51 Cb 0.06 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2k14 s SER 51 CO -0.07 -1.36 0.09 0.00 1.20 0.00 0.00 173.24 173.10 2k14 s ALA 52 N -1.88 -0.21 0.14 5.45 0.00 -0.16 -0.94 121.76 124.17 2k14 s ALA 52 Ca 0.72 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.62 2k14 s ALA 52 Cb -0.24 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2k14 s ALA 52 CO 0.31 -0.16 -0.13 0.14 0.00 0.00 0.00 175.76 175.92 2k14 s VAL 53 N -1.05 1.38 -0.14 0.00 -7.23 0.14 -0.97 120.40 112.54 2k14 s VAL 53 Ca -0.11 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 2k14 s VAL 53 Cb -0.06 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 2k14 s VAL 53 CO 0.01 -0.52 1.17 -0.55 -0.31 0.00 0.00 175.10 174.90 2k14 s SER 54 N -2.77 7.04 0.44 4.85 0.15 -1.26 -1.17 113.70 120.98 2k14 s SER 54 Ca 0.13 1.65 0.24 0.00 0.70 0.00 0.00 55.95 58.67 2k14 s SER 54 Cb -0.03 -2.55 0.48 0.00 -1.71 0.00 0.00 66.02 62.22 2k14 s SER 54 CO 0.03 -0.65 1.65 0.15 1.20 0.00 0.00 173.24 175.62 2k14 h PHE 55 N 7.71 0.00 -0.08 3.44 3.57 -1.39 -3.37 116.94 126.82 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 0.76 0.07 0.00 -3.47 -2.23 0.00 0.00 178.31 173.44 2k14 n ASP 56 N -3.12 2.44 -3.73 0.41 2.03 -1.26 -5.00 116.55 108.32 2k14 n ASP 56 Ca 0.03 -2.42 -0.23 0.00 0.52 0.00 0.00 54.79 52.69 2k14 n ASP 56 Cb 0.52 -0.22 0.04 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.61 -2.11 -4.50 1.67 5.15 -1.26 -5.03 115.26 108.57 2k14 n ASN 57 Ca 0.09 -0.79 -0.28 0.00 -0.60 0.00 0.00 54.58 53.00 2k14 n ASN 57 Cb 0.46 -4.11 -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 -6.09 1.80 -0.18 1.20 -0.21 -1.26 -4.81 119.66 110.11 2k14 s GLN 58 Ca 0.16 -1.33 -0.23 0.00 0.02 0.00 0.00 55.36 53.98 2k14 s GLN 58 Cb -0.08 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.87 2k14 s GLN 58 CO 0.81 0.44 0.73 -1.14 -2.12 0.00 0.00 175.29 174.00 2k14 s GLN 59 N -2.58 4.26 -0.44 2.91 -0.44 -1.26 -3.27 119.66 118.83 2k14 s GLN 59 Ca 0.21 0.82 0.04 0.00 -2.50 0.00 0.00 55.36 53.93 2k14 s GLN 59 Cb -0.09 -3.57 0.12 0.00 -1.64 0.00 0.00 33.01 27.83 2k14 s GLN 59 CO 0.12 -0.27 0.17 0.42 0.50 0.00 0.00 175.29 176.23 2k14 s ILE 60 N 1.99 2.27 1.00 -2.34 1.01 0.14 -4.98 121.20 120.29 2k14 s ILE 60 Ca 0.34 -2.80 -0.12 0.00 0.00 0.00 0.00 60.65 58.07 2k14 s ILE 60 Cb -0.16 -2.62 0.19 0.00 0.01 0.00 0.00 42.46 39.88 2k14 s ILE 60 CO 0.12 -0.73 1.08 -0.44 0.00 0.00 0.00 174.94 174.97 2k14 s SER 61 N 0.30 2.54 0.37 3.58 0.01 -1.26 -0.83 113.70 118.41 2k14 s SER 61 Ca 0.15 1.38 -0.25 0.00 1.31 0.00 0.00 55.95 58.54 2k14 s SER 61 Cb -0.23 -2.07 -0.12 0.00 0.21 0.00 0.00 66.02 63.81 2k14 s SER 61 CO -0.04 -3.21 0.93 0.00 0.41 0.00 0.00 173.24 171.33 2k14 n TYR 62 N -4.25 0.92 -2.42 2.43 4.19 -1.26 -4.00 117.16 112.78 2k14 n TYR 62 Ca 0.06 0.62 -0.04 0.00 3.31 0.00 0.00 57.90 61.85 2k14 n TYR 62 Cb 0.56 -2.19 0.01 0.00 0.49 0.00 0.00 39.34 38.20 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 1.30 0.48 3.25 2.98 0.00 -0.19 -5.00 105.19 108.01 2k14 n GLY 63 Ca 0.10 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.67 1.40 -0.19 2.61 -1.32 -1.26 -4.98 115.64 109.23 2k14 s THR 64 Ca 0.06 -1.73 -0.16 0.00 -1.21 0.00 0.00 61.69 58.65 2k14 s THR 64 Cb -0.03 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 2k14 s THR 64 CO 0.07 -0.39 0.40 -0.89 -2.21 0.00 0.00 174.62 171.60 2k14 s THR 65 N -2.09 5.21 0.04 5.08 2.01 -1.26 -2.40 115.64 122.23 2k14 s THR 65 Ca 0.09 0.73 0.06 0.00 0.31 0.00 0.00 61.69 62.88 2k14 s THR 65 Cb -0.05 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2k14 s THR 65 CO 0.03 0.27 -0.17 0.68 -0.69 0.00 0.00 174.62 174.74 2k14 s VAL 66 N 1.15 1.39 -0.16 3.82 -7.23 -0.29 -1.65 120.40 117.43 2k14 s VAL 66 Ca 0.20 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 59.09 2k14 s VAL 66 Cb -0.15 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 2k14 s VAL 66 CO 0.08 0.10 0.44 -0.22 -0.31 0.00 0.00 175.10 175.19 2k14 s LEU 67 N -1.17 4.21 -0.16 1.32 2.96 0.26 -0.00 118.68 126.10 2k14 s LEU 67 Ca 0.05 0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 54.33 2k14 s LEU 67 Cb -0.08 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 2k14 s LEU 67 CO 0.02 -0.04 1.31 -0.69 -1.32 0.00 0.00 176.35 175.62 2k14 s VAL 68 N 0.98 4.19 -0.01 1.68 1.01 -1.17 -1.79 120.40 125.29 2k14 s VAL 68 Ca 0.22 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.68 2k14 s VAL 68 Cb -0.15 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2k14 s VAL 68 CO 0.09 -0.15 0.08 1.33 0.00 0.00 0.00 175.10 176.44 2k14 n VAL 69 N 5.44 0.00 -3.77 2.92 0.24 0.05 -4.56 118.33 118.65 2k14 n VAL 69 Ca 0.14 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.34 62.26 2k14 n VAL 69 Cb 0.45 0.44 -0.05 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 -2.35 -0.16 -0.11 -1.34 -1.08 -0.94 -5.02 116.67 105.66 2k14 s ASP 70 Ca -0.01 -0.54 -0.09 0.00 -0.52 0.00 0.00 52.55 51.38 2k14 s ASP 70 Cb 0.02 0.51 0.03 0.00 -1.46 0.00 0.00 42.92 42.02 2k14 s ASP 70 CO 0.14 -0.95 0.29 -0.63 0.52 0.00 0.00 175.17 174.53 2k14 s ILE 71 N -3.88 -0.01 -0.45 4.11 1.01 -1.26 -0.23 121.20 120.50 2k14 s ILE 71 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.81 2k14 s ILE 71 Cb 0.01 -0.41 0.17 0.00 0.01 0.00 0.00 42.46 42.24 2k14 s ILE 71 CO -0.05 0.01 0.36 0.20 0.00 0.00 0.00 174.94 175.46 2k14 s ASN 72 N 0.41 1.91 -1.32 3.58 -0.87 0.01 -4.97 114.94 113.70 2k14 s ASN 72 Ca -0.02 -3.15 -0.15 0.00 -1.57 0.00 0.00 52.86 47.97 2k14 s ASN 72 Cb -0.04 -0.60 0.01 0.00 -0.02 0.00 0.00 41.25 40.61 2k14 s ASN 72 CO -0.02 -0.16 0.48 -3.20 -2.57 0.00 0.00 177.10 171.63 2k14 n ASN 73 N 2.75 -2.24 0.00 -1.22 5.15 -1.26 -1.47 115.26 116.98 2k14 n ASN 73 Ca 0.28 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 53.10 2k14 n ASN 73 Cb 0.46 -2.39 0.00 0.00 -0.53 0.00 0.00 39.78 37.31 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 -2.09 0.65 3.25 8.20 0.00 -1.26 -5.02 105.19 108.92 2k14 n GLY 74 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.26 4.31 0.38 1.61 1.01 -0.54 -2.48 120.40 122.44 2k14 s VAL 75 Ca 0.00 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 2k14 s VAL 75 Cb 0.00 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2k14 s VAL 75 CO 0.00 -0.66 0.94 -0.76 0.00 0.00 0.00 175.10 174.62 2k14 s LEU 76 N 1.41 4.10 -0.24 3.92 1.02 -0.11 -0.81 118.68 127.97 2k14 s LEU 76 Ca 0.04 1.73 -0.06 0.00 0.02 0.00 0.00 54.13 55.87 2k14 s LEU 76 Cb -0.25 -4.32 -0.02 0.00 0.02 0.00 0.00 46.19 41.62 2k14 s LEU 76 CO 0.01 -0.24 0.03 -0.44 0.02 0.00 0.00 176.35 175.73 2k14 s SER 77 N -1.96 4.82 0.20 2.29 0.01 0.68 -0.69 113.70 119.05 2k14 s SER 77 Ca 0.57 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.59 2k14 s SER 77 Cb -0.13 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 2k14 s SER 77 CO 0.17 -0.03 -0.06 0.68 0.41 0.00 0.00 173.24 174.42 2k14 s VAL 78 N 1.56 1.16 -0.06 3.43 -7.23 -0.32 -0.77 120.40 118.17 2k14 s VAL 78 Ca 0.06 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2k14 s VAL 78 Cb -0.15 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2k14 s VAL 78 CO 0.01 -0.51 0.17 0.28 -0.31 0.00 0.00 175.10 174.74 2k14 s THR 79 N -3.34 0.01 -0.87 5.32 -1.32 -0.74 -1.05 115.64 113.65 2k14 s THR 79 Ca 0.23 -0.07 -0.25 0.00 -1.21 0.00 0.00 61.69 60.40 2k14 s THR 79 Cb 0.04 -0.27 -0.03 0.00 -1.51 0.00 0.00 72.50 70.73 2k14 s THR 79 CO 0.05 -0.04 1.86 -2.16 -2.21 0.00 0.00 174.62 172.12 2k14 s PRO 80 N -0.05 2.71 0.20 7.08 0.04 -1.26 -0.57 135.00 143.14 2k14 s PRO 80 Ca -0.01 -0.26 -0.05 0.00 0.04 0.00 0.00 61.00 60.71 2k14 s PRO 80 Cb -0.02 -4.98 0.13 0.00 0.04 0.00 0.00 34.50 29.67 2k14 s PRO 80 CO 0.00 -3.11 1.57 1.25 0.04 0.00 0.00 177.00 176.76 2k14 h HIS 81 N 11.61 0.88 -6.97 0.56 2.76 -1.82 -3.48 115.15 118.70 2k14 h HIS 81 Ca 0.05 -0.24 -0.56 0.00 -2.20 0.00 0.00 60.37 57.42 2k14 h HIS 81 Cb 1.03 -0.20 -0.09 0.00 1.55 0.00 0.00 27.41 29.71 2k14 h HIS 81 CO 1.20 0.98 -0.91 0.39 -1.30 0.00 0.00 177.93 178.29 2k14 n GLU 82 N -4.07 -0.53 -1.18 5.26 1.02 -0.66 -4.95 120.64 115.54 2k14 n GLU 82 Ca -0.01 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 2k14 n GLU 82 Cb 0.49 -2.56 0.10 0.00 -0.02 0.00 0.00 31.44 29.46 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 -7.17 2.06 0.00 3.49 0.04 -1.26 -5.07 135.00 127.09 2k14 s PRO 83 Ca 0.27 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.57 2k14 s PRO 83 Cb -0.15 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.57 2k14 s PRO 83 CO 0.90 -1.80 0.55 -0.89 0.04 0.00 0.00 177.00 175.79