#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y69 h ILE 2 N 0.00 0.57 0.00 1.12 -2.65 -2.02 -0.68 117.51 113.85 1y69 h ILE 2 Ca 0.00 -0.37 0.00 0.00 1.03 0.00 0.00 64.86 65.52 1y69 h ILE 2 Cb 0.00 1.24 0.00 0.00 -2.05 0.00 0.00 36.82 36.01 1y69 h ILE 2 CO 0.00 0.08 0.00 -1.20 0.03 0.00 0.00 178.15 177.06 1y69 n SER 3 N -3.72 0.00 -0.09 2.16 7.64 -1.26 -1.55 113.62 116.80 1y69 n SER 3 Ca -0.02 0.44 -0.20 0.00 1.01 0.00 0.00 58.87 60.10 1y69 n SER 3 Cb 0.19 -0.48 -0.12 0.00 -1.01 0.00 0.00 64.21 62.79 1y69 n SER 3 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1y69 n ASP 4 N -1.48 2.02 0.10 6.43 8.00 -0.27 -4.24 116.55 127.11 1y69 n ASP 4 Ca 0.05 0.05 -0.05 0.00 0.71 0.00 0.00 54.79 55.55 1y69 n ASP 4 Cb 0.23 -0.62 0.04 0.00 -0.02 0.00 0.00 41.12 40.75 1y69 n ASP 4 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1y69 h ILE 5 N -0.13 1.53 -0.54 0.53 6.09 -1.48 -3.09 117.51 120.42 1y69 h ILE 5 Ca -0.53 -2.62 0.05 0.00 -1.37 0.00 0.00 64.86 60.39 1y69 h ILE 5 Cb 1.88 2.42 -0.05 0.00 0.47 0.00 0.00 36.82 41.55 1y69 h ILE 5 CO -0.07 0.75 0.26 -0.09 -3.07 0.00 0.00 178.15 175.93 1y69 h ARG 6 N 0.03 0.49 0.31 2.19 2.43 -1.49 -0.01 114.38 118.34 1y69 h ARG 6 Ca -0.02 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1y69 h ARG 6 Cb 1.39 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1y69 h ARG 6 CO 0.11 0.32 -0.15 0.87 -1.51 0.00 0.00 179.97 179.61 1y69 h LYS 7 N 0.50 -0.41 -0.40 0.20 1.79 -1.73 -0.60 116.57 115.93 1y69 h LYS 7 Ca 0.24 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.86 1y69 h LYS 7 Cb 0.18 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1y69 h LYS 7 CO -0.18 -0.08 0.41 0.22 -1.08 0.00 0.00 179.45 178.74 1y69 h ASP 8 N -0.79 0.00 0.05 0.86 1.82 -1.44 0.24 116.42 117.17 1y69 h ASP 8 Ca -0.04 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.42 1y69 h ASP 8 Cb 0.51 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 1y69 h ASP 8 CO 0.07 0.00 -0.89 0.00 -1.61 0.00 0.00 179.24 176.81 1y69 h ALA 9 N 1.55 0.12 -0.29 -0.78 0.00 -0.83 -3.26 119.26 115.76 1y69 h ALA 9 Ca 0.19 -0.90 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 1y69 h ALA 9 Cb 1.01 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1y69 h ALA 9 CO -0.00 0.50 -0.15 1.05 0.00 0.00 0.00 179.25 180.65 1y69 h GLU 10 N -0.70 0.61 0.46 0.00 4.11 -0.25 -2.01 114.58 116.81 1y69 h GLU 10 Ca -0.21 -0.27 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 1y69 h GLU 10 Cb 1.41 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1y69 h GLU 10 CO -0.02 0.85 -0.39 0.28 0.07 0.00 0.00 179.01 179.81 1y69 h VAL 11 N 0.36 0.22 -0.72 -1.06 2.07 -0.76 0.30 116.25 116.67 1y69 h VAL 11 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1y69 h VAL 11 Cb 0.67 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1y69 h VAL 11 CO 0.04 0.00 0.44 0.03 0.02 0.00 0.00 177.57 178.11 1y69 h ARG 12 N -0.84 0.96 0.63 1.57 3.08 -1.63 0.24 114.38 118.38 1y69 h ARG 12 Ca -0.04 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1y69 h ARG 12 Cb 0.73 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1y69 h ARG 12 CO -0.02 0.66 -0.30 0.52 -1.07 0.00 0.00 179.97 179.76 1y69 h MET 13 N 0.98 -0.81 -0.11 0.04 2.86 -1.03 -2.94 114.93 113.92 1y69 h MET 13 Ca 0.26 0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.99 1y69 h MET 13 Cb -0.06 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1y69 h MET 13 CO -0.05 -0.54 0.08 -0.44 1.06 0.00 0.00 176.91 177.03 1y69 h ASP 14 N -1.22 0.00 -0.45 1.22 3.32 -0.36 -0.93 116.42 118.00 1y69 h ASP 14 Ca -0.09 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1y69 h ASP 14 Cb 0.65 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1y69 h ASP 14 CO 0.14 0.00 0.14 0.50 -1.72 0.00 0.00 179.24 178.30 1y69 h LYS 15 N 0.00 0.76 0.02 3.56 3.64 -0.92 0.07 116.57 123.70 1y69 h LYS 15 Ca 0.05 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1y69 h LYS 15 Cb 0.22 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1y69 h LYS 15 CO -0.00 0.68 -0.19 0.00 -2.27 0.00 0.00 179.45 177.67 1y69 h VAL 17 N -0.76 0.92 0.00 0.00 2.07 -1.25 0.12 116.25 117.34 1y69 h VAL 17 Ca -0.03 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1y69 h VAL 17 Cb 1.07 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1y69 h VAL 17 CO 0.04 0.11 -0.17 -0.08 0.02 0.00 0.00 177.57 177.49 1y69 h GLU 18 N 0.62 0.00 0.06 1.57 4.57 -1.09 -0.70 114.58 119.62 1y69 h GLU 18 Ca 0.31 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1y69 h GLU 18 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1y69 h GLU 18 CO -0.21 0.17 -0.03 0.00 -1.18 0.00 0.00 179.01 177.76 1y69 h ALA 19 N 1.83 -0.08 -0.47 2.92 0.00 -0.73 -3.25 119.26 119.48 1y69 h ALA 19 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1y69 h ALA 19 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1y69 h ALA 19 CO 0.02 -0.10 0.24 0.74 0.00 0.00 0.00 179.25 180.15 1y69 h PHE 20 N -0.97 0.64 0.00 0.00 0.04 -0.84 -0.52 116.94 115.29 1y69 h PHE 20 Ca -0.01 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1y69 h PHE 20 Cb 0.49 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 1y69 h PHE 20 CO 0.12 0.46 -0.00 -0.22 -0.60 0.00 0.00 178.31 178.06 1y69 h LYS 21 N 0.66 0.00 0.00 1.51 3.64 -1.23 -0.91 116.57 120.23 1y69 h LYS 21 Ca 0.17 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.19 1y69 h LYS 21 Cb 0.04 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 1y69 h LYS 21 CO -0.03 0.00 -2.25 2.41 -2.27 0.00 0.00 179.45 177.32 1y69 n THR 22 N -3.13 1.44 0.06 1.00 -1.04 -0.32 -4.31 114.28 107.97 1y69 n THR 22 Ca -0.02 -0.84 -0.05 0.00 -2.04 0.00 0.00 64.05 61.10 1y69 n THR 22 Cb 0.12 -0.60 0.14 0.00 -1.82 0.00 0.00 70.33 68.17 1y69 n THR 22 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1y69 h GLN 23 N 0.00 0.34 0.00 -2.82 4.20 -0.37 -2.81 115.11 113.66 1y69 h GLN 23 Ca -0.49 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.01 1y69 h GLN 23 Cb 2.19 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.99 1y69 h GLN 23 CO 0.04 0.76 -0.07 -0.84 -0.67 0.00 0.00 178.83 178.05 1y69 h ILE 24 N 0.27 0.48 0.00 2.54 3.07 -1.39 -0.40 117.51 122.09 1y69 h ILE 24 Ca 0.01 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 66.11 1y69 h ILE 24 Cb 0.97 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1y69 h ILE 24 CO 0.08 0.07 0.00 0.28 -1.05 0.00 0.00 178.15 177.53 1y69 h SER 25 N 0.00 0.00 1.35 2.16 0.02 -1.69 -2.93 113.55 112.46 1y69 h SER 25 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1y69 h SER 25 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1y69 h SER 25 CO 0.01 0.00 -0.20 0.11 -1.14 0.00 0.00 176.83 175.61 1y69 h LYS 26 N 0.00 0.00 0.18 3.45 1.79 -1.14 -3.28 116.57 117.58 1y69 h LYS 26 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 1y69 h LYS 26 Cb 0.72 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.39 1y69 h LYS 26 CO 0.00 0.00 -1.34 0.97 -1.08 0.00 0.00 179.45 178.00 1y69 h ILE 27 N 0.00 1.36 -2.06 1.86 2.10 -1.53 -3.43 117.51 115.81 1y69 h ILE 27 Ca 0.00 -2.78 -0.52 0.00 1.08 0.00 0.00 64.86 62.65 1y69 h ILE 27 Cb 0.78 2.93 -0.02 0.00 -1.09 0.00 0.00 36.82 39.42 1y69 h ILE 27 CO 0.00 0.83 1.42 -0.60 -1.08 0.00 0.00 178.15 178.71 1y69 s ARG 28 N -2.71 2.71 0.04 2.19 3.52 -1.24 -4.84 118.95 118.63 1y69 s ARG 28 Ca -0.07 1.15 -0.20 0.00 -0.13 0.00 0.00 55.73 56.47 1y69 s ARG 28 Cb 0.06 -4.39 -0.14 0.00 -1.56 0.00 0.00 34.95 28.92 1y69 s ARG 28 CO 0.92 -2.60 1.37 1.15 -0.81 0.00 0.00 175.30 175.33 1y69 h THR 29 N 7.10 1.33 0.00 4.11 2.02 -1.89 -3.47 112.91 122.11 1y69 h THR 29 Ca -0.29 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1y69 h THR 29 Cb 1.20 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1y69 h THR 29 CO 1.13 0.36 0.00 0.61 0.37 0.00 0.00 175.52 178.00 1y69 n GLY 30 N 0.12 0.51 4.12 2.16 0.00 -1.26 -5.01 105.19 105.83 1y69 n GLY 30 Ca -0.06 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1y69 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y69 n GLY 31 N 0.00 1.80 1.69 -0.02 0.00 -1.26 -4.81 105.19 102.59 1y69 n GLY 31 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1y69 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y69 n GLY 32 N 0.00 -3.91 0.00 -0.02 0.00 -1.26 -4.15 105.19 95.84 1y69 n GLY 32 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1y69 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y69 n GLY 33 N 0.67 1.50 2.41 -0.02 0.00 -1.23 -4.21 105.19 104.32 1y69 n GLY 33 Ca -0.07 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1y69 n GLY 33 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y69 n THR 34 N 0.00 -0.39 -2.68 2.61 -2.24 -1.19 -4.98 114.28 105.40 1y69 n THR 34 Ca 0.00 -3.93 -0.04 0.00 -2.27 0.00 0.00 64.05 57.82 1y69 n THR 34 Cb 0.00 -1.85 -0.03 0.00 -2.10 0.00 0.00 70.33 66.35 1y69 n THR 34 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1y69 n GLU 35 N 2.18 -4.01 0.00 -0.78 1.02 -1.26 -3.56 120.64 114.23 1y69 n GLU 35 Ca 0.26 3.09 0.00 0.00 -0.02 0.00 0.00 57.16 60.49 1y69 n GLU 35 Cb 0.47 -4.86 0.00 0.00 -0.02 0.00 0.00 31.44 27.03 1y69 n GLU 35 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1y69 n GLU 36 N 1.44 0.00 -1.52 3.49 1.02 -1.26 -4.82 120.64 119.00 1y69 n GLU 36 Ca -0.26 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.45 1y69 n GLU 36 Cb 0.42 -1.98 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 1y69 n GLU 36 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y69 n ARG 37 N -0.67 2.30 0.00 3.49 1.74 -1.23 -3.81 116.66 118.47 1y69 n ARG 37 Ca 0.00 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 54.77 1y69 n ARG 37 Cb 0.00 -3.15 0.00 0.00 -1.02 0.00 0.00 32.46 28.29 1y69 n ARG 37 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1y69 n ARG 38 N 6.53 0.00 0.03 5.56 1.74 -1.26 -3.16 116.66 126.10 1y69 n ARG 38 Ca 0.51 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.44 1y69 n ARG 38 Cb 0.40 -0.18 -0.04 0.00 -1.02 0.00 0.00 32.46 31.62 1y69 n ARG 38 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1y69 h LYS 39 N 0.00 0.59 -0.17 5.56 3.64 -1.95 -3.02 116.57 121.22 1y69 h LYS 39 Ca 0.00 -0.53 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1y69 h LYS 39 Cb 0.00 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1y69 h LYS 39 CO 0.00 1.15 0.06 0.38 -2.27 0.00 0.00 179.45 178.77 1y69 h ASP 40 N 0.38 0.21 0.26 4.20 2.03 -1.90 -1.51 116.42 120.09 1y69 h ASP 40 Ca -0.06 -0.01 -0.18 0.00 -0.73 0.00 0.00 57.03 56.04 1y69 h ASP 40 Cb 1.46 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.90 1y69 h ASP 40 CO 0.16 0.21 -0.72 0.25 -1.03 0.00 0.00 179.24 178.10 1y69 h LEU 41 N 0.24 0.47 -2.12 0.15 6.46 -1.86 -3.01 115.31 115.64 1y69 h LEU 41 Ca 0.06 -0.31 0.08 0.00 -0.12 0.00 0.00 57.88 57.59 1y69 h LEU 41 Cb 0.07 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1y69 h LEU 41 CO -0.01 1.04 0.26 0.74 -0.62 0.00 0.00 178.44 179.86 1y69 h THR 42 N 0.27 0.57 -0.98 1.05 2.02 -1.15 -0.95 112.91 113.75 1y69 h THR 42 Ca -0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1y69 h THR 42 Cb 1.29 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 68.43 1y69 h THR 42 CO 0.12 0.00 0.62 0.11 0.37 0.00 0.00 175.52 176.74 1y69 h LYS 43 N 0.00 0.92 -0.20 6.66 1.79 -1.48 0.76 116.57 125.02 1y69 h LYS 43 Ca 0.13 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 1y69 h LYS 43 Cb 0.64 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1y69 h LYS 43 CO -0.00 0.61 -0.32 0.82 -1.08 0.00 0.00 179.45 179.48 1y69 h ILE 44 N 0.95 1.28 -0.22 1.86 1.08 -1.36 -2.77 117.51 118.33 1y69 h ILE 44 Ca 0.48 -1.38 -0.12 0.00 -0.39 0.00 0.00 64.86 63.45 1y69 h ILE 44 Cb 0.51 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 1y69 h ILE 44 CO -0.24 0.43 -0.38 0.58 -0.69 0.00 0.00 178.15 177.84 1y69 h VAL 45 N 0.36 1.30 -0.48 1.67 2.07 -0.96 -2.84 116.25 117.36 1y69 h VAL 45 Ca 0.04 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 66.06 1y69 h VAL 45 Cb 0.74 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1y69 h VAL 45 CO 0.06 0.47 0.32 0.03 0.02 0.00 0.00 177.57 178.47 1y69 h ARG 46 N 0.41 0.60 -0.31 1.57 2.47 -0.86 -1.64 114.38 116.62 1y69 h ARG 46 Ca 0.04 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.62 1y69 h ARG 46 Cb 0.85 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 1y69 h ARG 46 CO 0.07 0.40 -0.26 0.78 0.56 0.00 0.00 179.97 181.52 1y69 h GLY 47 N 0.62 0.66 1.13 0.04 0.00 -1.45 0.53 103.07 104.61 1y69 h GLY 47 Ca 0.18 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1y69 h GLY 47 CO -0.04 0.52 -0.02 0.83 0.00 0.00 0.00 176.54 177.82 1y69 h GLU 48 N 0.54 1.03 -0.03 4.80 4.39 -1.30 -0.77 114.58 123.24 1y69 h GLU 48 Ca 0.07 -0.33 -0.23 0.00 0.34 0.00 0.00 59.36 59.21 1y69 h GLU 48 Cb 0.72 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1y69 h GLU 48 CO 0.06 1.02 -0.93 0.00 -1.16 0.00 0.00 179.01 177.99 1y69 h ALA 49 N 1.02 0.31 -0.25 3.43 0.00 -1.28 -2.33 119.26 120.16 1y69 h ALA 49 Ca 0.16 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1y69 h ALA 49 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1y69 h ALA 49 CO 0.03 0.75 0.09 1.49 0.00 0.00 0.00 179.25 181.61 1y69 h GLU 50 N 0.33 0.38 0.00 0.00 4.57 -0.75 -1.32 114.58 117.78 1y69 h GLU 50 Ca -0.09 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 1y69 h GLU 50 Cb 1.57 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 1y69 h GLU 50 CO 0.17 0.44 -0.29 0.37 -1.18 0.00 0.00 179.01 178.52 1y69 h GLN 51 N 0.24 0.00 -0.08 1.92 5.75 -1.20 -2.98 115.11 118.76 1y69 h GLN 51 Ca 0.08 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1y69 h GLN 51 Cb 0.21 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 1y69 h GLN 51 CO -0.00 0.29 -0.08 0.00 -2.65 0.00 0.00 178.83 176.38 1y69 h ALA 52 N 1.71 0.12 -0.29 3.38 0.00 -0.97 -2.17 119.26 121.04 1y69 h ALA 52 Ca -0.00 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1y69 h ALA 52 Cb 0.62 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1y69 h ALA 52 CO 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 179.25 179.16 1y69 h ARG 53 N -0.23 0.00 -0.08 0.00 3.08 -1.12 -1.24 114.38 114.79 1y69 h ARG 53 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1y69 h ARG 53 Cb 0.59 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1y69 h ARG 53 CO 0.02 0.00 0.04 0.28 -1.07 0.00 0.00 179.97 179.24 1y69 h VAL 54 N 0.00 1.00 -0.89 2.04 2.07 -1.56 -1.54 116.25 117.37 1y69 h VAL 54 Ca 0.14 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.78 1y69 h VAL 54 Cb 0.21 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1y69 h VAL 54 CO -0.29 0.02 0.58 0.00 0.02 0.00 0.00 177.57 177.89 1y69 h ALA 55 N 1.04 1.88 0.00 1.67 0.00 -0.91 0.46 119.26 123.40 1y69 h ALA 55 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1y69 h ALA 55 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1y69 h ALA 55 CO -0.02 -0.14 -0.53 0.28 0.00 0.00 0.00 179.25 178.84 1y69 h VAL 56 N 0.65 1.06 0.02 0.00 2.07 -0.73 -3.22 116.25 116.10 1y69 h VAL 56 Ca 0.45 -2.07 -0.26 0.00 0.82 0.00 0.00 66.70 65.65 1y69 h VAL 56 Cb 0.79 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1y69 h VAL 56 CO -0.21 0.52 -1.36 0.03 0.02 0.00 0.00 177.57 176.57 1y69 h ARG 57 N 0.00 0.04 0.23 1.57 3.08 0.29 -3.32 114.38 116.27 1y69 h ARG 57 Ca -0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1y69 h ARG 57 Cb 1.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1y69 h ARG 57 CO 0.07 0.82 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.71 1y69 h ASN 58 N 0.01 -0.41 -0.44 7.04 2.35 -0.25 0.53 115.58 124.40 1y69 h ASN 58 Ca -0.15 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1y69 h ASN 58 Cb 1.90 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 40.38 1y69 h ASN 58 CO 0.11 -0.26 0.31 0.58 -1.65 0.00 0.00 177.43 176.52 1y69 h VAL 59 N -0.39 0.87 -0.07 2.81 2.07 -1.71 -0.18 116.25 119.64 1y69 h VAL 59 Ca -0.02 -0.06 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 1y69 h VAL 59 Cb 0.34 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1y69 h VAL 59 CO 0.01 0.03 -0.88 -0.09 0.02 0.00 0.00 177.57 176.66 1y69 h ARG 60 N 0.18 0.67 -0.82 1.57 2.43 -1.46 -1.05 114.38 115.89 1y69 h ARG 60 Ca 0.21 -0.62 -0.17 0.00 -0.81 0.00 0.00 59.98 58.58 1y69 h ARG 60 Cb 0.58 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 30.18 1y69 h ARG 60 CO -0.03 1.22 0.22 0.54 -1.51 0.00 0.00 179.97 180.41 1y69 n ARG 61 N -3.87 3.16 0.00 0.20 1.74 0.11 -3.43 116.66 114.56 1y69 n ARG 61 Ca -0.08 -2.41 0.00 0.00 -0.77 0.00 0.00 57.85 54.59 1y69 n ARG 61 Cb 0.80 -2.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1y69 n ARG 61 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1y69 n ASP 62 N -0.06 0.55 0.22 0.55 8.00 -0.22 -4.75 116.55 120.85 1y69 n ASP 62 Ca 0.32 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.94 1y69 n ASP 62 Cb 1.18 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 42.55 1y69 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y69 h ALA 63 N 0.00 0.96 -0.11 2.24 0.00 -1.36 -3.17 119.26 117.82 1y69 h ALA 63 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1y69 h ALA 63 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1y69 h ALA 63 CO 0.00 0.10 -0.30 -0.97 0.00 0.00 0.00 179.25 178.09 1y69 h ASN 64 N 0.00 0.45 0.54 0.00 -1.24 -1.74 -3.08 115.58 110.51 1y69 h ASN 64 Ca -0.00 -0.59 -0.02 0.00 0.71 0.00 0.00 56.30 56.40 1y69 h ASN 64 Cb 0.94 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.85 1y69 h ASN 64 CO 0.01 0.96 -0.10 0.44 -1.29 0.00 0.00 177.43 177.45 1y69 h ASP 65 N -0.03 0.00 1.23 1.15 3.32 -1.84 0.30 116.42 120.55 1y69 h ASP 65 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1y69 h ASP 65 Cb 0.91 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1y69 h ASP 65 CO 0.06 0.10 -0.00 0.11 -1.72 0.00 0.00 179.24 177.80 1y69 h LYS 66 N 0.00 0.00 0.00 3.56 1.57 -1.51 -2.77 116.57 117.43 1y69 h LYS 66 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1y69 h LYS 66 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1y69 h LYS 66 CO 0.01 0.00 -1.83 0.28 -0.57 0.00 0.00 179.45 177.35 1y69 n VAL 67 N -3.10 0.84 -0.03 0.50 0.31 -0.68 -4.13 118.33 112.03 1y69 n VAL 67 Ca 0.01 -0.34 -0.09 0.00 -0.01 0.00 0.00 64.34 63.91 1y69 n VAL 67 Cb 0.36 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 1y69 n VAL 67 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1y69 h LYS 68 N 0.00 0.13 -0.01 5.55 3.64 -0.52 0.17 116.57 125.53 1y69 h LYS 68 Ca -0.33 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1y69 h LYS 68 Cb 1.53 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1y69 h LYS 68 CO -0.04 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.22 1y69 n ALA 69 N -2.24 2.65 -0.11 5.00 0.00 -1.04 -3.42 120.51 121.35 1y69 n ALA 69 Ca -0.03 -0.22 -0.16 0.00 0.00 0.00 0.00 53.44 53.03 1y69 n ALA 69 Cb 0.08 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 1y69 n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1y69 n LEU 70 N -0.75 2.15 -0.04 0.00 7.94 -0.31 -4.25 117.00 121.74 1y69 n LEU 70 Ca 0.20 -0.05 0.14 0.00 -1.11 0.00 0.00 56.01 55.19 1y69 n LEU 70 Cb 0.14 -0.55 0.83 0.00 0.53 0.00 0.00 43.42 44.36 1y69 n LEU 70 CO 0.16 0.81 1.03 0.00 -1.11 0.00 0.00 177.39 178.27 1y69 n LEU 71 N -3.15 0.12 0.05 -1.96 -0.00 0.43 -3.03 117.00 109.46 1y69 n LEU 71 Ca -0.40 -0.04 0.11 0.00 -0.00 0.00 0.00 56.01 55.68 1y69 n LEU 71 Cb 1.04 -0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.42 1y69 n LEU 71 CO 0.32 0.02 -0.19 1.17 -0.00 0.00 0.00 177.39 178.72 1y69 n LYS 72 N -0.86 0.51 -0.48 1.47 3.00 -1.24 -3.81 118.16 116.76 1y69 n LYS 72 Ca 0.21 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.46 1y69 n LYS 72 Cb 0.12 -1.67 0.02 0.00 0.00 0.00 0.00 35.03 33.50 1y69 n LYS 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1y69 n ASP 73 N -2.32 4.66 -3.37 3.14 8.00 -1.17 -4.81 116.55 120.68 1y69 n ASP 73 Ca -0.00 -2.52 -0.16 0.00 0.71 0.00 0.00 54.79 52.81 1y69 n ASP 73 Cb 0.52 -0.87 0.04 0.00 -0.02 0.00 0.00 41.12 40.78 1y69 n ASP 73 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1y69 n LYS 74 N 0.66 -1.62 0.00 -1.24 4.76 -1.26 -4.93 118.16 114.53 1y69 n LYS 74 Ca 0.12 0.92 0.00 0.00 -2.87 0.00 0.00 58.31 56.48 1y69 n LYS 74 Cb 0.62 -5.01 0.00 0.00 -1.84 0.00 0.00 35.03 28.80 1y69 n LYS 74 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1y69 n GLU 75 N -3.03 0.00 -4.16 1.97 1.02 -1.26 -5.09 120.64 110.10 1y69 n GLU 75 Ca -0.08 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.84 1y69 n GLU 75 Cb 0.58 -0.34 -0.17 0.00 -0.02 0.00 0.00 31.44 31.50 1y69 n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1y69 s ILE 76 N -1.38 0.73 0.00 -3.67 1.01 -1.25 -5.05 121.20 111.59 1y69 s ILE 76 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1y69 s ILE 76 Cb 0.00 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1y69 s ILE 76 CO 0.00 0.28 0.00 -1.54 0.00 0.00 0.00 174.94 173.68 1y69 n SER 77 N 4.31 -0.35 -3.29 3.58 3.41 -1.26 -4.57 113.62 115.45 1y69 n SER 77 Ca -0.20 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1y69 n SER 77 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1y69 n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1y69 n GLU 78 N -0.96 1.43 -0.21 4.33 -0.58 -1.26 -4.26 120.64 119.14 1y69 n GLU 78 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1y69 n GLU 78 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1y69 n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1y69 n ASP 79 N 0.00 0.00 -0.01 1.62 8.00 -1.26 -4.58 116.55 120.32 1y69 n ASP 79 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1y69 n ASP 79 Cb 0.00 -1.38 -0.11 0.00 -0.02 0.00 0.00 41.12 39.61 1y69 n ASP 79 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1y69 n ASP 80 N 0.00 1.67 0.18 -2.24 8.00 -1.26 -4.12 116.55 118.78 1y69 n ASP 80 Ca 0.00 -0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.27 1y69 n ASP 80 Cb 0.00 1.58 -0.08 0.00 -0.02 0.00 0.00 41.12 42.60 1y69 n ASP 80 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1y69 h ASP 81 N 0.00 -0.35 0.53 -2.24 3.32 -1.84 -0.13 116.42 115.71 1y69 h ASP 81 Ca 0.00 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1y69 h ASP 81 Cb 0.61 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1y69 h ASP 81 CO 0.00 -0.20 -0.52 0.03 -1.72 0.00 0.00 179.24 176.83 1y69 h ARG 82 N -0.46 0.00 -0.28 3.56 2.47 -1.97 -2.65 114.38 115.05 1y69 h ARG 82 Ca -0.04 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 1y69 h ARG 82 Cb 0.35 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 1y69 h ARG 82 CO 0.07 0.52 -0.11 -0.09 0.56 0.00 0.00 179.97 180.91 1y69 h ARG 83 N 0.00 0.47 0.00 0.04 2.43 -1.64 -1.86 114.38 113.81 1y69 h ARG 83 Ca -0.01 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 58.87 1y69 h ARG 83 Cb 0.93 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1y69 h ARG 83 CO 0.07 0.59 -0.80 0.66 -1.51 0.00 0.00 179.97 178.97 1y69 h SER 84 N 0.44 0.02 0.22 -3.80 4.64 -0.76 -3.08 113.55 111.23 1y69 h SER 84 Ca 0.08 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1y69 h SER 84 Cb 0.47 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1y69 h SER 84 CO 0.03 0.82 -0.10 1.56 -0.87 0.00 0.00 176.83 178.26 1y69 h GLN 85 N 0.01 -0.28 0.00 4.77 1.08 -1.08 -2.45 115.11 117.16 1y69 h GLN 85 Ca -0.01 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1y69 h GLN 85 Cb 1.42 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 1y69 h GLN 85 CO 0.11 0.04 0.00 -0.25 -0.95 0.00 0.00 178.83 177.78 1y69 n ASP 86 N -5.07 0.16 0.07 1.46 8.00 -0.75 -1.36 116.55 119.05 1y69 n ASP 86 Ca -0.09 0.56 -0.21 0.00 0.71 0.00 0.00 54.79 55.76 1y69 n ASP 86 Cb 0.24 -0.59 -0.15 0.00 -0.02 0.00 0.00 41.12 40.60 1y69 n ASP 86 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1y69 h ASP 87 N 0.00 0.55 1.34 -2.24 3.58 -1.37 -3.27 116.42 115.02 1y69 h ASP 87 Ca 0.00 -0.83 -0.10 0.00 0.42 0.00 0.00 57.03 56.52 1y69 h ASP 87 Cb 0.08 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1y69 h ASP 87 CO 0.00 1.70 -0.68 -0.37 -2.88 0.00 0.00 179.24 177.01 1y69 h VAL 88 N 0.10 0.67 -0.38 2.25 -1.51 -0.86 -3.32 116.25 113.20 1y69 h VAL 88 Ca -0.32 -2.00 -0.08 0.00 -1.23 0.00 0.00 66.70 63.06 1y69 h VAL 88 Cb 2.08 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 33.48 1y69 h VAL 88 CO 0.17 0.38 -0.09 1.56 -1.23 0.00 0.00 177.57 178.36 1y69 h GLN 89 N 0.00 0.73 0.00 5.19 1.08 -1.36 0.22 115.11 120.97 1y69 h GLN 89 Ca -0.04 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1y69 h GLN 89 Cb 1.37 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1y69 h GLN 89 CO 0.05 0.88 0.00 1.63 -0.95 0.00 0.00 178.83 180.44 1y69 n LYS 90 N -4.37 0.08 -0.12 1.46 4.76 -1.23 -0.19 118.16 118.55 1y69 n LYS 90 Ca -0.02 0.48 -0.16 0.00 -2.87 0.00 0.00 58.31 55.74 1y69 n LYS 90 Cb 0.35 -1.71 -0.11 0.00 -1.84 0.00 0.00 35.03 31.72 1y69 n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1y69 n LEU 91 N -1.87 2.90 0.00 -0.35 4.77 -0.86 -3.79 117.00 117.80 1y69 n LEU 91 Ca 0.01 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 1y69 n LEU 91 Cb 0.09 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.30 1y69 n LEU 91 CO 0.09 0.88 0.56 0.74 -1.33 0.00 0.00 177.39 178.34 1y69 h THR 92 N 0.00 1.29 -0.83 -5.08 2.02 -0.07 -1.51 112.91 108.74 1y69 h THR 92 Ca -0.52 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 1y69 h THR 92 Cb 1.82 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 70.30 1y69 h THR 92 CO -0.08 0.31 0.42 0.44 0.37 0.00 0.00 175.52 176.98 1y69 h ASP 93 N -0.64 1.07 -0.65 4.18 3.32 -0.82 -1.29 116.42 121.60 1y69 h ASP 93 Ca -0.01 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 1y69 h ASP 93 Cb 0.56 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1y69 h ASP 93 CO 0.01 0.90 0.18 0.00 -1.72 0.00 0.00 179.24 178.60 1y69 h ALA 94 N 1.22 0.85 0.27 3.45 0.00 -1.65 0.29 119.26 123.69 1y69 h ALA 94 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1y69 h ALA 94 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1y69 h ALA 94 CO -0.04 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.63 1y69 h ALA 95 N 1.07 -0.36 -0.42 0.00 0.00 -0.83 -1.69 119.26 117.03 1y69 h ALA 95 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1y69 h ALA 95 Cb 0.33 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1y69 h ALA 95 CO -0.00 -0.66 0.24 0.82 0.00 0.00 0.00 179.25 179.65 1y69 h ILE 96 N -0.45 1.12 -0.17 0.00 2.04 -1.16 -0.09 117.51 118.81 1y69 h ILE 96 Ca -0.04 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1y69 h ILE 96 Cb 0.34 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1y69 h ILE 96 CO 0.06 0.13 -0.11 0.50 0.00 0.00 0.00 178.15 178.73 1y69 h LYS 97 N 0.57 0.26 0.10 2.37 3.64 -0.54 -1.30 116.57 121.67 1y69 h LYS 97 Ca 0.15 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.19 1y69 h LYS 97 Cb -0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1y69 h LYS 97 CO -0.03 0.38 -1.35 0.87 -2.27 0.00 0.00 179.45 177.05 1y69 h LYS 98 N 0.25 0.22 0.34 1.90 1.57 -0.26 -2.92 116.57 117.67 1y69 h LYS 98 Ca 0.05 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1y69 h LYS 98 Cb 0.35 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1y69 h LYS 98 CO 0.02 1.12 -0.16 0.82 -0.57 0.00 0.00 179.45 180.67 1y69 h ILE 99 N 0.06 0.68 -0.59 1.86 1.08 -0.68 0.15 117.51 120.07 1y69 h ILE 99 Ca -0.17 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 1y69 h ILE 99 Cb 1.97 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 36.54 1y69 h ILE 99 CO 0.17 0.06 0.32 -0.33 -0.69 0.00 0.00 178.15 177.69 1y69 h GLU 100 N -0.63 0.81 -0.33 2.37 4.39 -1.39 0.91 114.58 120.70 1y69 h GLU 100 Ca -0.05 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.44 1y69 h GLU 100 Cb 0.46 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1y69 h GLU 100 CO 0.08 0.60 -0.32 0.00 -1.16 0.00 0.00 179.01 178.21 1y69 h ALA 101 N 1.53 0.82 -0.16 3.43 0.00 -1.35 -1.66 119.26 121.87 1y69 h ALA 101 Ca 0.21 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1y69 h ALA 101 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1y69 h ALA 101 CO -0.03 0.64 -0.33 0.00 0.00 0.00 0.00 179.25 179.53 1y69 h ALA 102 N 1.03 0.26 0.00 0.00 0.00 0.04 -3.07 119.26 117.52 1y69 h ALA 102 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1y69 h ALA 102 Cb 0.84 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1y69 h ALA 102 CO 0.07 0.31 -0.17 -0.07 0.00 0.00 0.00 179.25 179.39 1y69 h LEU 103 N 0.15 0.00 -1.35 0.00 3.38 -0.80 -0.63 115.31 116.06 1y69 h LEU 103 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1y69 h LEU 103 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1y69 h LEU 103 CO 0.07 0.17 -0.14 0.00 0.09 0.00 0.00 178.44 178.63 1y69 h ALA 104 N 1.83 1.47 0.17 1.53 0.00 -1.21 0.97 119.26 124.02 1y69 h ALA 104 Ca -0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.35 1y69 h ALA 104 Cb 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1y69 h ALA 104 CO 0.02 0.38 -1.69 -0.44 0.00 0.00 0.00 179.25 177.51 1y69 h ASP 105 N 0.25 0.57 -0.40 0.00 3.32 -1.28 -3.16 116.42 115.71 1y69 h ASP 105 Ca 0.05 -0.83 -0.04 0.00 0.02 0.00 0.00 57.03 56.23 1y69 h ASP 105 Cb 0.40 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1y69 h ASP 105 CO 0.02 1.70 0.09 0.50 -1.72 0.00 0.00 179.24 179.83 1y69 h LYS 106 N 0.10 0.65 0.00 3.56 3.64 -0.95 -2.54 116.57 121.03 1y69 h LYS 106 Ca -0.32 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 1y69 h LYS 106 Cb 2.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.81 1y69 h LYS 106 CO 0.18 0.68 -0.23 1.49 -2.27 0.00 0.00 179.45 179.30 1y69 h GLU 107 N 0.51 0.00 0.00 1.90 4.57 -0.95 -0.11 114.58 120.49 1y69 h GLU 107 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1y69 h GLU 107 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1y69 h GLU 107 CO 0.00 0.23 0.00 0.00 -1.18 0.00 0.00 179.01 178.06 1y69 n ALA 108 N -2.47 1.97 -0.11 2.92 0.00 -0.98 -2.35 120.51 119.49 1y69 n ALA 108 Ca -0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1y69 n ALA 108 Cb 0.29 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 1y69 n ALA 108 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y69 n GLU 109 N -1.68 0.53 0.29 0.00 1.02 -0.40 -3.18 120.64 117.22 1y69 n GLU 109 Ca 0.05 0.13 0.18 0.00 -0.02 0.00 0.00 57.16 57.50 1y69 n GLU 109 Cb 0.27 -1.42 0.80 0.00 -0.02 0.00 0.00 31.44 31.07 1y69 n GLU 109 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1y69 h LEU 110 N -0.06 0.00 0.00 -4.62 3.38 -1.09 -2.48 115.31 110.45 1y69 h LEU 110 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1y69 h LEU 110 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1y69 h LEU 110 CO -0.09 0.02 -1.05 0.80 0.09 0.00 0.00 178.44 178.21 1y69 n MET 111 N -3.13 1.59 0.00 1.13 1.56 -0.99 -4.15 117.12 113.13 1y69 n MET 111 Ca -0.00 -0.05 0.00 0.00 -0.27 0.00 0.00 57.70 57.38 1y69 n MET 111 Cb 0.26 -1.24 0.00 0.00 2.15 0.00 0.00 33.22 34.38 1y69 n MET 111 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1y69 n GLN 112 N -1.59 0.00 -0.53 2.12 7.27 -0.93 -5.01 117.38 118.71 1y69 n GLN 112 Ca 0.01 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1y69 n GLN 112 Cb 0.28 -0.83 0.00 0.00 2.41 0.00 0.00 30.24 32.10 1y69 n GLN 112 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47