#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bb3 n GLY -1 N 0.00 3.38 3.38 0.23 0.00 -1.26 -5.10 105.19 105.82 2bb3 n GLY -1 Ca 0.00 -2.09 -0.19 0.00 0.00 0.00 0.00 46.02 43.74 2bb3 n GLY -1 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2bb3 n HIS 0 N -0.78 -2.30 -4.12 1.61 8.25 -1.26 -4.90 115.22 111.71 2bb3 n HIS 0 Ca -0.05 0.76 -0.09 0.00 -0.26 0.00 0.00 57.72 58.08 2bb3 n HIS 0 Cb 0.52 -4.01 -0.10 0.00 1.12 0.00 0.00 29.99 27.52 2bb3 n HIS 0 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2bb3 s ILE 2 N -3.42 0.11 0.07 1.59 -4.36 -0.67 -1.65 121.20 112.87 2bb3 s ILE 2 Ca 0.43 -1.83 0.06 0.00 -0.26 0.00 0.00 60.65 59.05 2bb3 s ILE 2 Cb -0.08 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 2bb3 s ILE 2 CO 0.77 -0.49 -0.12 0.26 0.24 0.00 0.00 174.94 175.60 2bb3 s TRP 3 N -4.02 2.72 -0.22 1.37 0.52 -1.03 -2.10 118.94 116.17 2bb3 s TRP 3 Ca 0.22 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.19 2bb3 s TRP 3 Cb 0.07 -1.47 0.05 0.00 -1.15 0.00 0.00 33.47 30.96 2bb3 s TRP 3 CO 0.00 0.37 -0.11 0.42 0.02 0.00 0.00 176.95 177.65 2bb3 s ILE 4 N -1.09 1.86 0.03 2.03 1.01 -0.24 -0.37 121.20 124.43 2bb3 s ILE 4 Ca 0.19 -1.24 0.07 0.00 0.00 0.00 0.00 60.65 59.66 2bb3 s ILE 4 Cb -0.11 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2bb3 s ILE 4 CO 0.10 0.11 -0.18 0.68 0.00 0.00 0.00 174.94 175.65 2bb3 s VAL 5 N 1.28 2.77 0.30 2.92 -7.23 0.15 -0.96 120.40 119.62 2bb3 s VAL 5 Ca -0.04 -1.14 -0.23 0.00 -1.81 0.00 0.00 61.98 58.77 2bb3 s VAL 5 Cb -0.17 -2.15 -0.09 0.00 0.56 0.00 0.00 36.38 34.53 2bb3 s VAL 5 CO -0.07 0.38 0.85 -0.83 -0.31 0.00 0.00 175.10 175.12 2bb3 s GLY 6 N -1.32 2.66 0.03 2.32 0.00 -0.60 -0.61 107.32 109.80 2bb3 s GLY 6 Ca 0.14 0.35 0.23 0.00 0.00 0.00 0.00 44.72 45.44 2bb3 s GLY 6 CO 0.04 0.73 1.03 -1.14 0.00 0.00 0.00 173.10 173.77 2bb3 n SER 7 N 0.43 0.64 0.00 1.64 3.41 -0.29 -4.73 113.62 114.73 2bb3 n SER 7 Ca 0.01 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2bb3 n SER 7 Cb 0.51 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 2bb3 n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bb3 n GLY 8 N 1.40 -2.21 0.27 5.00 0.00 -0.90 -4.39 105.19 104.36 2bb3 n GLY 8 Ca 0.02 -1.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 2bb3 n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bb3 n THR 9 N -0.07 0.31 -3.90 2.61 -1.04 -1.04 -0.68 114.28 110.47 2bb3 n THR 9 Ca 0.00 -0.11 -0.22 0.00 -2.04 0.00 0.00 64.05 61.68 2bb3 n THR 9 Cb 0.00 -0.96 -0.05 0.00 -1.82 0.00 0.00 70.33 67.51 2bb3 n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bb3 s ARG 11 N -3.96 4.41 -0.24 0.00 1.81 -1.26 -3.34 118.95 116.37 2bb3 s ARG 11 Ca 0.41 2.12 -0.01 0.00 -1.72 0.00 0.00 55.73 56.53 2bb3 s ARG 11 Cb -0.03 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.36 2bb3 s ARG 11 CO 0.25 -0.12 0.13 0.41 -0.68 0.00 0.00 175.30 175.28 2bb3 n GLY 12 N 1.13 0.55 0.00 -3.53 0.00 -1.26 -4.95 105.19 97.13 2bb3 n GLY 12 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2bb3 n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bb3 n GLN 13 N -1.26 1.95 -2.73 1.61 6.02 -1.21 -5.03 117.38 116.71 2bb3 n GLN 13 Ca -0.01 -1.20 -0.35 0.00 -0.01 0.00 0.00 57.00 55.43 2bb3 n GLN 13 Cb 0.52 -0.95 -0.06 0.00 1.02 0.00 0.00 30.24 30.77 2bb3 n GLN 13 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2bb3 s THR 14 N -0.71 4.17 0.10 5.09 -1.32 -1.26 -4.42 115.64 117.28 2bb3 s THR 14 Ca 0.00 1.51 0.01 0.00 -1.21 0.00 0.00 61.69 62.01 2bb3 s THR 14 Cb 0.00 -3.71 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 2bb3 s THR 14 CO 0.00 -0.13 0.23 0.42 -2.21 0.00 0.00 174.62 172.93 2bb3 s THR 15 N -1.92 5.33 0.42 5.08 -4.23 -1.26 -4.99 115.64 114.07 2bb3 s THR 15 Ca 0.59 -0.53 0.19 0.00 -1.18 0.00 0.00 61.69 60.76 2bb3 s THR 15 Cb -0.14 -3.66 0.39 0.00 1.34 0.00 0.00 72.50 70.43 2bb3 s THR 15 CO 0.19 0.04 1.83 -0.33 -0.54 0.00 0.00 174.62 175.81 2bb3 h GLU 16 N 2.70 0.37 -0.17 3.99 5.08 -2.00 0.19 114.58 124.75 2bb3 h GLU 16 Ca -0.46 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 57.67 2bb3 h GLU 16 Cb 1.17 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2bb3 h GLU 16 CO 0.73 0.25 -0.70 -0.09 -1.00 0.00 0.00 179.01 178.19 2bb3 h ARG 17 N 0.38 0.72 -0.48 2.33 2.43 -1.99 -2.40 114.38 115.37 2bb3 h ARG 17 Ca 0.51 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2bb3 h ARG 17 Cb 1.32 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 2bb3 h ARG 17 CO -0.20 1.16 0.31 0.00 -1.51 0.00 0.00 179.97 179.73 2bb3 h ALA 18 N 0.69 0.61 -0.79 2.80 0.00 -1.07 -1.09 119.26 120.42 2bb3 h ALA 18 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2bb3 h ALA 18 Cb 1.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2bb3 h ALA 18 CO 0.14 0.07 0.32 0.87 0.00 0.00 0.00 179.25 180.65 2bb3 h LYS 19 N 0.65 1.18 -0.31 0.00 1.57 -1.23 0.98 116.57 119.41 2bb3 h LYS 19 Ca 0.18 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2bb3 h LYS 19 Cb -0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2bb3 h LYS 19 CO -0.04 0.95 0.11 0.93 -0.57 0.00 0.00 179.45 180.83 2bb3 h GLU 20 N 1.14 0.47 -0.37 3.15 5.08 -1.10 0.38 114.58 123.34 2bb3 h GLU 20 Ca 0.26 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2bb3 h GLU 20 Cb 0.21 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2bb3 h GLU 20 CO -0.02 0.51 0.21 0.82 -1.00 0.00 0.00 179.01 179.53 2bb3 h ILE 21 N 0.34 1.03 -0.61 3.13 2.04 -0.89 -2.25 117.51 120.29 2bb3 h ILE 21 Ca 0.10 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2bb3 h ILE 21 Cb 0.22 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2bb3 h ILE 21 CO -0.00 0.08 0.26 0.40 0.00 0.00 0.00 178.15 178.88 2bb3 h ILE 22 N 0.43 1.23 0.00 -0.67 2.04 -0.37 -1.91 117.51 118.26 2bb3 h ILE 22 Ca 0.15 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2bb3 h ILE 22 Cb 0.02 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2bb3 h ILE 22 CO -0.08 0.27 -0.06 -0.08 0.00 0.00 0.00 178.15 178.21 2bb3 h GLU 23 N 0.85 0.00 0.00 2.37 4.22 -0.01 -2.74 114.58 119.27 2bb3 h GLU 23 Ca 0.21 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 59.36 2bb3 h GLU 23 Cb 0.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2bb3 h GLU 23 CO -0.02 0.06 -1.78 0.54 -2.18 0.00 0.00 179.01 175.63 2bb3 n ARG 24 N -4.21 0.64 -1.53 1.92 5.12 -0.87 -4.97 116.66 112.77 2bb3 n ARG 24 Ca -0.03 0.24 -0.40 0.00 -1.93 0.00 0.00 57.85 55.74 2bb3 n ARG 24 Cb 0.14 -1.75 0.03 0.00 -1.16 0.00 0.00 32.46 29.71 2bb3 n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bb3 n ALA 25 N -2.56 -0.66 -0.06 7.54 0.00 -0.74 -4.93 120.51 119.09 2bb3 n ALA 25 Ca -0.18 0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 2bb3 n ALA 25 Cb 1.04 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 2bb3 n ALA 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2bb3 n GLU 26 N -0.04 0.69 -4.19 0.00 1.02 0.52 -4.93 120.64 113.71 2bb3 n GLU 26 Ca 0.11 0.18 -0.17 0.00 -0.02 0.00 0.00 57.16 57.27 2bb3 n GLU 26 Cb 0.44 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 30.07 2bb3 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bb3 s VAL 27 N -2.54 0.48 -0.18 2.62 0.11 -0.91 -4.75 120.40 115.22 2bb3 s VAL 27 Ca -0.19 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 2bb3 s VAL 27 Cb 0.07 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 2bb3 s VAL 27 CO 0.75 0.15 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.85 2bb3 s ILE 28 N 0.01 1.99 0.13 7.04 1.01 0.16 -1.93 121.20 129.62 2bb3 s ILE 28 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2bb3 s ILE 28 Cb -0.04 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2bb3 s ILE 28 CO -0.00 0.50 0.12 -0.31 0.00 0.00 0.00 174.94 175.25 2bb3 s TYR 29 N 1.31 3.19 0.00 3.97 1.51 0.22 -0.19 117.35 127.36 2bb3 s TYR 29 Ca 0.04 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 2bb3 s TYR 29 Cb -0.13 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 2bb3 s TYR 29 CO -0.12 0.52 0.00 0.41 -1.11 0.00 0.00 175.55 175.25 2bb3 n GLY 30 N -0.02 2.63 3.75 0.71 0.00 -1.09 -0.45 105.19 110.72 2bb3 n GLY 30 Ca -0.08 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 2bb3 n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bb3 s SER 31 N 0.00 4.25 0.20 1.61 1.04 -1.26 0.47 113.70 120.01 2bb3 s SER 31 Ca 0.00 1.86 -0.11 0.00 0.48 0.00 0.00 55.95 58.18 2bb3 s SER 31 Cb 0.00 -2.51 0.17 0.00 0.10 0.00 0.00 66.02 63.77 2bb3 s SER 31 CO 0.00 -2.20 1.84 -0.09 0.98 0.00 0.00 173.24 173.76 2bb3 h ARG 32 N -1.25 0.77 -0.46 4.02 2.43 -1.93 -0.45 114.38 117.51 2bb3 h ARG 32 Ca -0.44 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 58.74 2bb3 h ARG 32 Cb 1.24 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 2bb3 h ARG 32 CO 0.50 0.51 0.18 0.00 -1.51 0.00 0.00 179.97 179.65 2bb3 h ARG 33 N 0.79 0.36 -0.72 0.20 3.08 -1.98 0.50 114.38 116.61 2bb3 h ARG 33 Ca 0.26 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 2bb3 h ARG 33 Cb 0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2bb3 h ARG 33 CO -0.11 0.24 0.43 0.00 -1.07 0.00 0.00 179.97 179.46 2bb3 h ALA 34 N 1.29 0.92 -0.34 0.04 0.00 -1.76 0.69 119.26 120.10 2bb3 h ALA 34 Ca 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2bb3 h ALA 34 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2bb3 h ALA 34 CO -0.20 0.39 -0.11 -0.07 0.00 0.00 0.00 179.25 179.26 2bb3 h LEU 35 N 0.99 0.68 0.50 0.00 3.38 -0.40 -2.29 115.31 118.18 2bb3 h LEU 35 Ca 0.26 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2bb3 h LEU 35 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2bb3 h LEU 35 CO -0.05 0.91 -0.35 -0.33 0.09 0.00 0.00 178.44 178.71 2bb3 h GLU 36 N 0.45 -0.79 -0.64 1.13 5.08 0.28 -0.78 114.58 119.31 2bb3 h GLU 36 Ca 0.08 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.63 2bb3 h GLU 36 Cb 0.62 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.94 2bb3 h GLU 36 CO 0.04 -0.53 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.36 2bb3 h LEU 37 N -0.82 -0.46 0.00 1.33 3.38 -0.87 0.48 115.31 118.35 2bb3 h LEU 37 Ca -0.06 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2bb3 h LEU 37 Cb 0.69 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2bb3 h LEU 37 CO 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.38 2bb3 n ALA 38 N -2.97 2.42 -2.77 1.53 0.00 -0.86 -4.87 120.51 112.98 2bb3 n ALA 38 Ca 0.09 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 2bb3 n ALA 38 Cb 0.36 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.43 2bb3 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bb3 n GLY 39 N 0.57 -0.03 0.04 0.00 0.00 0.17 -4.93 105.19 101.01 2bb3 n GLY 39 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2bb3 n GLY 39 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bb3 n VAL 40 N -4.01 0.32 0.33 1.61 0.24 -0.38 -4.81 118.33 111.63 2bb3 n VAL 40 Ca -0.06 -0.33 0.21 0.00 -2.04 0.00 0.00 64.34 62.12 2bb3 n VAL 40 Cb 0.57 0.79 1.12 0.00 -1.47 0.00 0.00 33.84 34.85 2bb3 n VAL 40 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2bb3 h VAL 41 N 2.45 0.12 -0.42 3.34 3.04 -1.80 -0.01 116.25 122.96 2bb3 h VAL 41 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2bb3 h VAL 41 Cb 0.90 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 2bb3 h VAL 41 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 2bb3 n ASP 42 N -3.24 3.29 -4.79 3.17 8.00 -1.26 -4.95 116.55 116.77 2bb3 n ASP 42 Ca -0.03 -1.94 -0.34 0.00 0.71 0.00 0.00 54.79 53.20 2bb3 n ASP 42 Cb 0.09 -0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2bb3 n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bb3 s ASP 43 N -1.19 5.85 0.33 -2.24 2.15 -0.02 -4.93 116.67 116.61 2bb3 s ASP 43 Ca 0.35 1.98 0.17 0.00 0.43 0.00 0.00 52.55 55.48 2bb3 s ASP 43 Cb 0.19 -2.56 0.34 0.00 -0.30 0.00 0.00 42.92 40.59 2bb3 s ASP 43 CO 0.26 -1.13 1.57 0.77 -0.17 0.00 0.00 175.17 176.48 2bb3 h SER 44 N 0.95 0.00 0.63 -0.34 4.64 -1.93 -2.88 113.55 114.62 2bb3 h SER 44 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2bb3 h SER 44 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2bb3 h SER 44 CO 0.57 0.42 -0.00 0.54 -0.87 0.00 0.00 176.83 177.49 2bb3 n ARG 45 N -3.31 0.37 -3.01 4.77 1.74 -1.26 -4.86 116.66 111.10 2bb3 n ARG 45 Ca 0.01 -0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 2bb3 n ARG 45 Cb 0.63 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.53 2bb3 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bb3 s ALA 46 N -2.63 3.40 -0.20 7.54 0.00 -1.09 -0.66 121.76 128.12 2bb3 s ALA 46 Ca 0.27 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.30 2bb3 s ALA 46 Cb 0.20 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2bb3 s ALA 46 CO 0.47 -0.28 -0.15 1.03 0.00 0.00 0.00 175.76 176.83 2bb3 s ARG 47 N 1.23 3.03 -0.17 0.00 1.81 0.73 -4.94 118.95 120.65 2bb3 s ARG 47 Ca 0.37 -0.82 -0.29 0.00 -1.72 0.00 0.00 55.73 53.27 2bb3 s ARG 47 Cb -0.17 -2.71 -0.01 0.00 -0.45 0.00 0.00 34.95 31.61 2bb3 s ARG 47 CO 0.16 -0.24 1.12 -1.50 -0.68 0.00 0.00 175.30 174.17 2bb3 s ILE 48 N 1.33 4.52 0.27 1.52 -1.16 -1.26 -2.67 121.20 123.74 2bb3 s ILE 48 Ca 0.04 1.82 -0.29 0.00 -0.51 0.00 0.00 60.65 61.71 2bb3 s ILE 48 Cb -0.14 -4.18 -0.09 0.00 0.61 0.00 0.00 42.46 38.66 2bb3 s ILE 48 CO -0.10 -0.11 1.03 -0.76 -2.81 0.00 0.00 174.94 172.19 2bb3 s LEU 49 N 2.96 4.56 -0.20 8.50 1.43 0.18 -4.90 118.68 131.20 2bb3 s LEU 49 Ca 0.50 2.13 -0.07 0.00 -1.03 0.00 0.00 54.13 55.65 2bb3 s LEU 49 Cb -0.19 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.27 2bb3 s LEU 49 CO 0.13 -0.05 -0.24 0.54 0.23 0.00 0.00 176.35 176.96 2bb3 n ARG 50 N 1.21 0.45 -4.11 1.70 5.12 -1.26 -4.41 116.66 115.37 2bb3 n ARG 50 Ca -0.01 0.17 -0.24 0.00 -1.93 0.00 0.00 57.85 55.84 2bb3 n ARG 50 Cb 0.46 -1.28 -0.05 0.00 -1.16 0.00 0.00 32.46 30.43 2bb3 n ARG 50 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2bb3 s SER 51 N -6.58 5.48 -0.03 0.55 0.15 -1.26 -5.04 113.70 106.97 2bb3 s SER 51 Ca -0.28 -0.21 0.11 0.00 0.70 0.00 0.00 55.95 56.27 2bb3 s SER 51 Cb 0.10 -1.40 0.21 0.00 -1.71 0.00 0.00 66.02 63.22 2bb3 s SER 51 CO 0.39 0.01 1.09 0.49 1.20 0.00 0.00 173.24 176.42 2bb3 n PHE 52 N -0.81 0.00 -1.92 3.44 3.01 -1.26 -4.93 117.46 115.00 2bb3 n PHE 52 Ca -0.08 -0.41 -0.29 0.00 1.01 0.00 0.00 57.45 57.68 2bb3 n PHE 52 Cb 0.57 -0.11 0.13 0.00 -0.01 0.00 0.00 39.48 40.05 2bb3 n PHE 52 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2bb3 s LYS 53 N -0.63 1.45 0.16 -1.08 -0.14 -1.26 -4.82 119.74 113.42 2bb3 s LYS 53 Ca 0.18 -0.10 -0.22 0.00 -1.36 0.00 0.00 55.97 54.47 2bb3 s LYS 53 Cb 0.19 -1.92 0.06 0.00 -1.68 0.00 0.00 37.83 34.48 2bb3 s LYS 53 CO -0.06 -1.91 1.62 0.78 -0.76 0.00 0.00 175.35 175.03 2bb3 h GLY 54 N -1.27 -0.11 -0.01 -3.33 0.00 -1.99 -2.12 103.07 94.23 2bb3 h GLY 54 Ca -0.45 0.32 0.17 0.00 0.00 0.00 0.00 47.33 47.37 2bb3 h GLY 54 CO 0.55 -0.20 0.33 1.29 0.00 0.00 0.00 176.54 178.50 2bb3 h ASP 55 N -0.22 0.28 -0.17 0.19 2.03 -1.99 0.32 116.42 116.87 2bb3 h ASP 55 Ca 0.16 0.13 -0.18 0.00 -0.73 0.00 0.00 57.03 56.41 2bb3 h ASP 55 Cb 0.48 0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 39.09 2bb3 h ASP 55 CO -0.45 0.05 -0.57 -0.08 -1.03 0.00 0.00 179.24 177.16 2bb3 h GLU 56 N 0.42 0.76 0.00 4.15 4.57 -1.81 -2.08 114.58 120.59 2bb3 h GLU 56 Ca 0.47 -0.50 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 2bb3 h GLU 56 Cb 0.80 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 2bb3 h GLU 56 CO -0.47 1.12 -0.65 0.82 -1.18 0.00 0.00 179.01 178.66 2bb3 h ILE 57 N 0.58 1.37 -0.46 2.32 5.03 -0.60 -2.72 117.51 123.03 2bb3 h ILE 57 Ca 0.01 -2.31 -0.06 0.00 -0.12 0.00 0.00 64.86 62.38 2bb3 h ILE 57 Cb 1.16 2.28 -0.02 0.00 -3.03 0.00 0.00 36.82 37.21 2bb3 h ILE 57 CO 0.12 0.64 0.05 0.03 -0.68 0.00 0.00 178.15 178.31 2bb3 h ARG 58 N 0.00 0.79 0.64 2.37 3.08 -0.23 -3.16 114.38 117.87 2bb3 h ARG 58 Ca -0.01 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 2bb3 h ARG 58 Cb 1.23 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2bb3 h ARG 58 CO 0.08 0.82 -0.45 -0.09 -1.07 0.00 0.00 179.97 179.26 2bb3 h ARG 59 N 0.65 -1.00 -0.53 0.04 2.43 -1.26 -0.85 114.38 113.85 2bb3 h ARG 59 Ca 0.14 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2bb3 h ARG 59 Cb 0.43 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2bb3 h ARG 59 CO 0.01 -0.67 0.00 -0.89 -1.51 0.00 0.00 179.97 176.91 2bb3 n ILE 60 N -5.25 0.00 0.00 1.20 5.41 -1.04 -1.47 119.36 118.21 2bb3 n ILE 60 Ca -0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2bb3 n ILE 60 Cb 0.45 -0.08 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 2bb3 n ILE 60 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2bb3 n GLU 62 N 0.39 0.00 0.00 0.38 4.07 -0.33 -2.26 120.64 122.90 2bb3 n GLU 62 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 2bb3 n GLU 62 Cb 0.00 0.00 0.19 0.00 -0.06 0.00 0.00 31.44 31.57 2bb3 n GLU 62 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2bb3 n GLU 63 N 0.00 0.00 -0.05 5.31 1.02 -0.54 -1.02 120.64 125.36 2bb3 n GLU 63 Ca 0.00 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.60 2bb3 n GLU 63 Cb 0.00 -1.50 0.46 0.00 -0.02 0.00 0.00 31.44 30.38 2bb3 n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bb3 n GLY 64 N -0.59 0.01 0.09 0.62 0.00 -0.96 -2.71 105.19 101.66 2bb3 n GLY 64 Ca 0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2bb3 n GLY 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bb3 n ARG 65 N 0.10 0.66 -0.02 1.61 0.63 -0.19 -4.30 116.66 115.14 2bb3 n ARG 65 Ca 0.17 0.27 -0.12 0.00 -0.92 0.00 0.00 57.85 57.25 2bb3 n ARG 65 Cb 0.30 -1.76 -0.14 0.00 0.45 0.00 0.00 32.46 31.30 2bb3 n ARG 65 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2bb3 n GLU 66 N -3.10 0.67 -4.24 -0.14 0.28 -1.24 -4.68 120.64 108.19 2bb3 n GLU 66 Ca -0.20 0.26 -0.13 0.00 -0.16 0.00 0.00 57.16 56.92 2bb3 n GLU 66 Cb 1.06 -1.75 -0.10 0.00 1.43 0.00 0.00 31.44 32.08 2bb3 n GLU 66 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2bb3 s ARG 67 N -2.58 1.11 -0.42 3.44 0.52 -1.10 -5.11 118.95 114.81 2bb3 s ARG 67 Ca -0.10 -1.53 -0.29 0.00 -0.52 0.00 0.00 55.73 53.28 2bb3 s ARG 67 Cb 0.07 -0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.31 2bb3 s ARG 67 CO 0.81 -0.14 1.15 -1.21 0.02 0.00 0.00 175.30 175.93 2bb3 s GLU 68 N -3.92 3.81 0.02 3.54 2.02 -1.26 -4.26 118.70 118.65 2bb3 s GLU 68 Ca 0.24 0.75 0.04 0.00 0.02 0.00 0.00 54.97 56.02 2bb3 s GLU 68 Cb 0.06 -3.87 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 2bb3 s GLU 68 CO 0.04 -1.26 -0.06 0.08 0.02 0.00 0.00 175.26 174.09 2bb3 s VAL 69 N 4.30 3.69 -0.02 2.63 1.01 -1.26 -0.35 120.40 130.41 2bb3 s VAL 69 Ca 0.48 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2bb3 s VAL 69 Cb -0.09 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2bb3 s VAL 69 CO 0.27 0.34 -0.07 0.00 0.00 0.00 0.00 175.10 175.65 2bb3 s ALA 70 N -1.05 0.62 -0.11 5.51 0.00 -0.81 -2.46 121.76 123.45 2bb3 s ALA 70 Ca 0.18 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2bb3 s ALA 70 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2bb3 s ALA 70 CO 0.09 0.11 -0.23 0.08 0.00 0.00 0.00 175.76 175.81 2bb3 s VAL 71 N 0.13 2.14 -0.19 0.00 1.01 0.51 -0.61 120.40 123.40 2bb3 s VAL 71 Ca -0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2bb3 s VAL 71 Cb -0.06 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2bb3 s VAL 71 CO -0.00 0.55 0.04 -0.63 0.00 0.00 0.00 175.10 175.07 2bb3 s ILE 72 N 0.47 4.54 0.09 2.22 1.01 0.41 0.30 121.20 130.24 2bb3 s ILE 72 Ca -0.15 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.43 2bb3 s ILE 72 Cb -0.17 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2bb3 s ILE 72 CO 0.06 0.45 -0.02 -0.55 0.00 0.00 0.00 174.94 174.88 2bb3 s SER 73 N 0.55 4.90 0.56 3.58 0.15 0.22 -4.32 113.70 119.34 2bb3 s SER 73 Ca 0.02 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.26 2bb3 s SER 73 Cb -0.13 -1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.00 2bb3 s SER 73 CO 0.01 0.18 1.15 0.42 1.20 0.00 0.00 173.24 176.21 2bb3 s THR 74 N -1.29 2.99 0.00 6.45 -4.23 -1.26 -1.13 115.64 117.17 2bb3 s THR 74 Ca 0.25 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 2bb3 s THR 74 Cb -0.12 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.49 2bb3 s THR 74 CO 0.17 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2bb3 n GLY 75 N 0.25 3.55 3.60 3.99 0.00 0.15 -4.40 105.19 112.32 2bb3 n GLY 75 Ca 0.12 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 2bb3 n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bb3 s ASP 76 N -4.00 5.31 0.00 1.61 2.15 -1.25 -2.12 116.67 118.36 2bb3 s ASP 76 Ca 0.00 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.00 2bb3 s ASP 76 Cb 0.00 -1.85 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2bb3 s ASP 76 CO 0.00 0.20 0.13 -2.65 -0.17 0.00 0.00 175.17 172.68 2bb3 n PRO 77 N 3.36 0.07 -2.38 4.34 -0.02 -1.26 -4.76 135.00 134.35 2bb3 n PRO 77 Ca -0.17 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2bb3 n PRO 77 Cb 0.52 -1.46 -0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2bb3 n PRO 77 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2bb3 n VAL 79 N 1.69 -1.85 -3.98 -1.45 0.31 -1.26 -3.72 118.33 108.07 2bb3 n VAL 79 Ca 0.00 0.36 -0.32 0.00 -0.01 0.00 0.00 64.34 64.37 2bb3 n VAL 79 Cb 0.04 -2.36 0.01 0.00 -0.91 0.00 0.00 33.84 30.61 2bb3 n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bb3 n ALA 80 N 2.14 -1.25 -2.06 3.52 0.00 -1.26 -4.92 120.51 116.69 2bb3 n ALA 80 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2bb3 n ALA 80 Cb 0.03 -4.08 0.00 0.00 0.00 0.00 0.00 19.45 15.40 2bb3 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bb3 n GLY 81 N -1.56 2.10 0.06 0.00 0.00 -1.24 -5.00 105.19 99.55 2bb3 n GLY 81 Ca 0.05 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.43 2bb3 n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bb3 n LEU 82 N 0.00 0.36 -0.34 0.99 4.77 -1.25 -4.46 117.00 117.08 2bb3 n LEU 82 Ca 0.00 0.13 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 2bb3 n LEU 82 Cb 0.00 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2bb3 n LEU 82 CO 0.00 0.08 0.47 0.61 -1.33 0.00 0.00 177.39 177.21 2bb3 n GLY 83 N 1.40 -1.89 0.43 -0.72 0.00 -1.26 -1.57 105.19 101.58 2bb3 n GLY 83 Ca 0.10 0.97 -0.15 0.00 0.00 0.00 0.00 46.02 46.94 2bb3 n GLY 83 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bb3 h ARG 84 N 0.00 -0.67 0.00 1.61 3.08 -2.00 -2.09 114.38 114.32 2bb3 h ARG 84 Ca 0.25 0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.28 2bb3 h ARG 84 Cb 0.46 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2bb3 h ARG 84 CO -0.83 -0.45 -0.27 -0.39 -1.07 0.00 0.00 179.97 176.96 2bb3 h VAL 85 N -0.69 1.03 -0.68 2.04 -1.51 -1.76 -2.43 116.25 112.24 2bb3 h VAL 85 Ca 0.01 -0.99 0.02 0.00 -1.23 0.00 0.00 66.70 64.51 2bb3 h VAL 85 Cb 0.70 1.56 -0.04 0.00 -2.13 0.00 0.00 31.29 31.38 2bb3 h VAL 85 CO -0.23 0.27 0.44 -0.07 -1.23 0.00 0.00 177.57 176.75 2bb3 h LEU 86 N 0.00 0.73 -2.88 4.19 3.38 -0.72 -0.18 115.31 119.83 2bb3 h LEU 86 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2bb3 h LEU 86 Cb 0.54 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2bb3 h LEU 86 CO 0.04 0.51 -0.00 0.03 0.09 0.00 0.00 178.44 179.11 2bb3 h ARG 87 N 0.87 0.00 -0.20 1.13 3.08 -0.88 -0.55 114.38 117.84 2bb3 h ARG 87 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2bb3 h ARG 87 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2bb3 h ARG 87 CO -0.09 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.20 2bb3 n GLU 88 N -3.14 1.82 -4.34 0.04 1.02 -0.09 -4.88 120.64 111.07 2bb3 n GLU 88 Ca -0.03 -1.24 -0.34 0.00 -0.02 0.00 0.00 57.16 55.54 2bb3 n GLU 88 Cb 0.08 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 2bb3 n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2bb3 s ILE 89 N -1.75 4.10 -0.62 -3.67 1.01 -0.22 -5.03 121.20 115.02 2bb3 s ILE 89 Ca 0.33 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.42 2bb3 s ILE 89 Cb 0.18 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2bb3 s ILE 89 CO 0.26 0.51 1.82 0.00 0.00 0.00 0.00 174.94 177.53 2bb3 s ALA 90 N 0.14 2.22 -0.62 9.38 0.00 -1.26 -4.90 121.76 126.71 2bb3 s ALA 90 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 2bb3 s ALA 90 Cb -0.13 -4.30 -0.05 0.00 0.00 0.00 0.00 23.12 18.63 2bb3 s ALA 90 CO 0.02 -3.85 2.11 -2.00 0.00 0.00 0.00 175.76 172.05 2bb3 s GLU 91 N 6.94 2.34 -0.12 0.00 2.56 -1.26 -4.83 118.70 124.33 2bb3 s GLU 91 Ca 0.65 0.76 -0.11 0.00 0.00 0.00 0.00 54.97 56.27 2bb3 s GLU 91 Cb -0.12 -4.58 -0.04 0.00 2.00 0.00 0.00 34.13 31.40 2bb3 s GLU 91 CO 0.20 -3.17 -0.21 -3.47 -0.56 0.00 0.00 175.26 168.06 2bb3 n ASP 92 N 14.56 1.32 -4.77 -1.70 2.03 -1.26 -4.92 116.55 121.81 2bb3 n ASP 92 Ca 0.31 0.32 -0.38 0.00 0.52 0.00 0.00 54.79 55.56 2bb3 n ASP 92 Cb 0.52 -0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 2bb3 n ASP 92 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bb3 s VAL 93 N -2.19 3.33 0.40 5.18 0.11 -1.26 -5.02 120.40 120.95 2bb3 s VAL 93 Ca -0.17 1.11 -0.16 0.00 -2.93 0.00 0.00 61.98 59.83 2bb3 s VAL 93 Cb 0.02 -3.62 -0.09 0.00 -1.53 0.00 0.00 36.38 31.17 2bb3 s VAL 93 CO 0.25 0.09 0.84 -0.70 -3.33 0.00 0.00 175.10 172.25 2bb3 s GLU 94 N -2.27 3.99 -0.03 1.54 2.12 -0.66 -4.93 118.70 118.46 2bb3 s GLU 94 Ca 0.56 0.78 0.04 0.00 0.36 0.00 0.00 54.97 56.71 2bb3 s GLU 94 Cb -0.28 -2.31 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 2bb3 s GLU 94 CO 0.36 -0.01 -0.16 0.96 -0.54 0.00 0.00 175.26 175.88 2bb3 s ILE 95 N -2.23 1.29 -0.03 -3.70 -5.25 -1.26 -1.67 121.20 108.34 2bb3 s ILE 95 Ca 0.56 -0.65 0.07 0.00 -0.99 0.00 0.00 60.65 59.63 2bb3 s ILE 95 Cb -0.10 -1.10 -0.01 0.00 2.95 0.00 0.00 42.46 44.20 2bb3 s ILE 95 CO 0.22 0.37 -0.23 -0.54 -1.79 0.00 0.00 174.94 172.97 2bb3 s LYS 96 N -0.05 2.02 -0.15 0.37 1.02 -0.89 -5.00 119.74 117.06 2bb3 s LYS 96 Ca -0.01 -0.82 -0.06 0.00 0.02 0.00 0.00 55.97 55.10 2bb3 s LYS 96 Cb -0.10 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 2bb3 s LYS 96 CO 0.01 0.44 0.04 0.42 -0.92 0.00 0.00 175.35 175.35 2bb3 s ILE 97 N -0.39 4.64 -0.26 2.17 -1.09 -1.26 -1.08 121.20 123.92 2bb3 s ILE 97 Ca 0.05 -0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2bb3 s ILE 97 Cb -0.10 -3.05 0.03 0.00 -1.58 0.00 0.00 42.46 37.76 2bb3 s ILE 97 CO 0.00 0.51 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.50 2bb3 s GLU 98 N -0.05 2.84 0.73 2.79 2.56 -0.13 -4.96 118.70 122.48 2bb3 s GLU 98 Ca 0.05 -0.98 -0.15 0.00 0.00 0.00 0.00 54.97 53.89 2bb3 s GLU 98 Cb -0.12 -3.08 0.04 0.00 2.00 0.00 0.00 34.13 32.96 2bb3 s GLU 98 CO 0.01 -0.43 1.20 -2.14 -0.56 0.00 0.00 175.26 173.34 2bb3 s PRO 99 N 1.35 2.17 0.33 4.30 0.02 -1.26 -1.56 135.00 140.34 2bb3 s PRO 99 Ca 0.00 1.72 -0.02 0.00 0.02 0.00 0.00 61.00 62.72 2bb3 s PRO 99 Cb -0.17 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.50 2bb3 s PRO 99 CO -0.03 -1.80 0.43 0.00 -0.33 0.00 0.00 177.00 175.27 2bb3 s ALA 100 N -2.04 0.84 -0.13 -1.55 0.00 -1.26 -4.54 121.76 113.08 2bb3 s ALA 100 Ca 0.73 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 2bb3 s ALA 100 Cb -0.28 1.20 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2bb3 s ALA 100 CO 0.45 -0.77 0.97 0.42 0.00 0.00 0.00 175.76 176.84 2bb3 s ILE 101 N -3.24 4.80 0.46 0.00 1.01 -1.26 -4.18 121.20 118.78 2bb3 s ILE 101 Ca 0.32 1.96 -0.00 0.00 0.00 0.00 0.00 60.65 62.92 2bb3 s ILE 101 Cb 0.00 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 2bb3 s ILE 101 CO 0.20 -0.00 0.69 -0.94 0.00 0.00 0.00 174.94 174.88 2bb3 s SER 102 N 1.11 5.84 0.49 3.58 1.04 -1.26 -2.49 113.70 122.00 2bb3 s SER 102 Ca 0.46 0.33 0.24 0.00 0.48 0.00 0.00 55.95 57.47 2bb3 s SER 102 Cb -0.18 -1.57 1.27 0.00 0.10 0.00 0.00 66.02 65.64 2bb3 s SER 102 CO 0.16 -0.71 2.01 0.77 0.98 0.00 0.00 173.24 176.44 2bb3 h SER 103 N 0.36 0.00 -0.31 7.02 4.64 -1.96 -1.07 113.55 122.24 2bb3 h SER 103 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 2bb3 h SER 103 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2bb3 h SER 103 CO 0.58 0.17 0.13 0.58 -0.87 0.00 0.00 176.83 177.41 2bb3 h VAL 104 N 0.00 1.18 -0.63 0.95 2.07 -1.99 -0.55 116.25 117.27 2bb3 h VAL 104 Ca -0.00 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 2bb3 h VAL 104 Cb 0.42 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2bb3 h VAL 104 CO 0.02 0.19 0.14 1.56 0.02 0.00 0.00 177.57 179.50 2bb3 h GLN 105 N 0.36 1.02 -0.61 1.57 4.20 -1.61 -1.27 115.11 118.78 2bb3 h GLN 105 Ca 0.10 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2bb3 h GLN 105 Cb 0.17 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2bb3 h GLN 105 CO -0.01 0.93 0.25 0.28 -0.67 0.00 0.00 178.83 179.61 2bb3 h VAL 106 N 0.94 1.23 -0.37 -0.54 2.07 -1.18 -0.61 116.25 117.79 2bb3 h VAL 106 Ca 0.20 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2bb3 h VAL 106 Cb 0.37 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2bb3 h VAL 106 CO 0.00 0.27 0.12 0.00 0.02 0.00 0.00 177.57 177.99 2bb3 h ALA 107 N 1.10 0.49 -0.61 1.67 0.00 -0.89 -1.60 119.26 119.41 2bb3 h ALA 107 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2bb3 h ALA 107 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2bb3 h ALA 107 CO -0.02 0.12 0.37 -0.07 0.00 0.00 0.00 179.25 179.65 2bb3 h LEU 108 N 0.45 0.72 -0.73 0.00 4.07 -1.05 -0.98 115.31 117.80 2bb3 h LEU 108 Ca 0.12 -0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.92 2bb3 h LEU 108 Cb 0.24 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2bb3 h LEU 108 CO -0.01 0.55 -0.41 0.00 -1.08 0.00 0.00 178.44 177.50 2bb3 h ALA 109 N 1.57 0.90 -0.42 1.53 0.00 -0.70 -0.03 119.26 122.11 2bb3 h ALA 109 Ca 0.22 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2bb3 h ALA 109 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bb3 h ALA 109 CO -0.04 0.64 -0.24 0.00 0.00 0.00 0.00 179.25 179.60 2bb3 h ARG 110 N 0.41 0.87 0.00 0.00 2.47 -0.30 -3.19 114.38 114.64 2bb3 h ARG 110 Ca 0.04 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2bb3 h ARG 110 Cb 0.89 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2bb3 h ARG 110 CO 0.08 1.01 -0.31 1.28 0.56 0.00 0.00 179.97 182.59 2bb3 n LEU 111 N -4.10 0.68 -2.97 3.04 4.77 -0.47 -4.95 117.00 112.99 2bb3 n LEU 111 Ca -0.00 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 2bb3 n LEU 111 Cb 0.46 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2bb3 n LEU 111 CO 0.46 -0.09 0.17 0.29 -1.33 0.00 0.00 177.39 176.89 2bb3 n LYS 112 N -2.08 -6.18 -4.91 3.23 4.76 -0.08 -5.01 118.16 107.89 2bb3 n LYS 112 Ca 0.05 0.70 -0.32 0.00 -2.87 0.00 0.00 58.31 55.86 2bb3 n LYS 112 Cb 0.42 -5.30 -0.13 0.00 -1.84 0.00 0.00 35.03 28.18 2bb3 n LYS 112 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2bb3 s VAL 113 N -3.23 2.89 0.26 -0.18 1.01 -0.86 -5.06 120.40 115.23 2bb3 s VAL 113 Ca 0.45 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2bb3 s VAL 113 Cb -0.20 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 2bb3 s VAL 113 CO 0.55 0.55 0.93 -1.81 0.00 0.00 0.00 175.10 175.33 2bb3 s ASP 114 N -0.82 7.54 0.48 3.32 1.11 -1.26 -4.68 116.67 122.36 2bb3 s ASP 114 Ca 0.12 1.90 0.14 0.00 0.18 0.00 0.00 52.55 54.89 2bb3 s ASP 114 Cb -0.10 -2.60 1.14 0.00 1.07 0.00 0.00 42.92 42.43 2bb3 s ASP 114 CO 0.01 0.09 2.11 0.25 1.18 0.00 0.00 175.17 178.81 2bb3 h LEU 115 N 3.86 0.12 0.00 1.23 6.46 -1.97 -0.45 115.31 124.56 2bb3 h LEU 115 Ca -0.46 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 2bb3 h LEU 115 Cb 1.20 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2bb3 h LEU 115 CO 0.67 0.11 0.00 -1.54 -0.62 0.00 0.00 178.44 177.06 2bb3 n SER 116 N -4.50 0.00 -0.55 1.25 3.41 -1.26 -2.57 113.62 109.40 2bb3 n SER 116 Ca -0.01 -1.14 0.07 0.00 -0.26 0.00 0.00 58.87 57.53 2bb3 n SER 116 Cb 0.10 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 2bb3 n SER 116 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bb3 n GLU 117 N -0.83 1.12 -4.41 4.33 1.02 -0.18 -5.02 120.64 116.67 2bb3 n GLU 117 Ca 0.13 -1.28 -0.21 0.00 -0.02 0.00 0.00 57.16 55.78 2bb3 n GLU 117 Cb 0.06 -1.27 -0.09 0.00 -0.02 0.00 0.00 31.44 30.12 2bb3 n GLU 117 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bb3 s VAL 118 N -1.27 0.53 -0.13 2.62 -7.23 -1.06 -2.31 120.40 111.55 2bb3 s VAL 118 Ca 0.16 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2bb3 s VAL 118 Cb 0.12 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.59 2bb3 s VAL 118 CO 0.20 0.00 -0.10 0.00 -0.31 0.00 0.00 175.10 174.89 2bb3 s ALA 119 N -3.43 1.55 -0.07 1.32 0.00 -0.40 -4.84 121.76 115.89 2bb3 s ALA 119 Ca 0.32 -0.72 -0.28 0.00 0.00 0.00 0.00 51.96 51.28 2bb3 s ALA 119 Cb 0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2bb3 s ALA 119 CO 0.16 -0.46 0.91 0.08 0.00 0.00 0.00 175.76 176.45 2bb3 s VAL 120 N 1.61 4.88 -0.08 0.00 1.01 -1.26 -1.48 120.40 125.09 2bb3 s VAL 120 Ca 0.04 1.86 0.04 0.00 0.00 0.00 0.00 61.98 63.92 2bb3 s VAL 120 Cb -0.13 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2bb3 s VAL 120 CO -0.09 0.11 -0.20 -0.69 0.00 0.00 0.00 175.10 174.23 2bb3 s VAL 121 N 1.43 2.46 -0.76 2.92 1.01 0.11 -4.95 120.40 122.61 2bb3 s VAL 121 Ca 0.46 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 2bb3 s VAL 121 Cb -0.19 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.36 2bb3 s VAL 121 CO 0.21 0.56 0.96 -0.62 0.00 0.00 0.00 175.10 176.21 2bb3 s ASP 122 N -0.08 6.40 0.00 3.32 -1.08 -1.26 -0.50 116.67 123.47 2bb3 s ASP 122 Ca -0.05 -1.63 0.00 0.00 -0.52 0.00 0.00 52.55 50.35 2bb3 s ASP 122 Cb -0.14 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2bb3 s ASP 122 CO 0.04 -1.16 0.00 0.00 0.52 0.00 0.00 175.17 174.58 2bb3 s PHE 128 N 0.00 1.40 -0.09 0.00 0.40 -1.26 -4.94 117.98 113.49 2bb3 s PHE 128 Ca 0.00 -0.84 -0.12 0.00 -0.60 0.00 0.00 56.93 55.37 2bb3 s PHE 128 Cb 0.00 -1.99 -0.09 0.00 0.51 0.00 0.00 43.02 41.45 2bb3 s PHE 128 CO 0.00 -0.78 0.39 0.22 0.70 0.00 0.00 175.22 175.75 2bb3 h ASP 129 N 0.50 -0.09 0.85 1.36 3.58 -2.02 -3.33 116.42 117.28 2bb3 h ASP 129 Ca -0.33 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 56.84 2bb3 h ASP 129 Cb 1.30 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 2bb3 h ASP 129 CO 0.51 0.52 -0.02 0.00 -2.88 0.00 0.00 179.24 177.37 2bb3 h ALA 130 N -0.68 1.01 0.00 -0.78 0.00 -2.03 -2.65 119.26 114.13 2bb3 h ALA 130 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bb3 h ALA 130 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2bb3 h ALA 130 CO 0.02 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.68 2bb3 n GLU 131 N -3.13 0.05 0.00 0.00 -0.58 -1.25 -1.63 120.64 114.10 2bb3 n GLU 131 Ca -0.00 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2bb3 n GLU 131 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2bb3 n GLU 131 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2bb3 n LEU 132 N -1.43 0.40 -0.32 -4.62 0.00 -1.00 -4.12 117.00 105.92 2bb3 n LEU 132 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.10 2bb3 n LEU 132 Cb 0.11 0.00 0.21 0.00 0.00 0.00 0.00 43.42 43.75 2bb3 n LEU 132 CO 0.09 0.00 1.16 0.00 0.00 0.00 0.00 177.39 178.65 2bb3 h THR 133 N 0.00 0.85 0.00 1.96 1.03 -1.73 -1.16 112.91 113.87 2bb3 h THR 133 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 2bb3 h THR 133 Cb 0.00 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.05 2bb3 h THR 133 CO 0.00 0.15 0.00 -0.62 -0.01 0.00 0.00 175.52 175.04 2bb3 n GLU 134 N -4.74 0.00 -0.24 0.00 -0.58 -0.64 -2.19 120.64 112.25 2bb3 n GLU 134 Ca 0.17 0.37 0.04 0.00 -0.42 0.00 0.00 57.16 57.32 2bb3 n GLU 134 Cb 0.36 -1.35 0.16 0.00 -0.57 0.00 0.00 31.44 30.04 2bb3 n GLU 134 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2bb3 h LEU 135 N 0.00 0.05 0.00 -4.62 3.38 -1.61 0.35 115.31 112.86 2bb3 h LEU 135 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2bb3 h LEU 135 Cb 0.00 0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2bb3 h LEU 135 CO 0.00 -0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2bb3 n LEU 136 N -5.12 0.00 0.08 1.67 4.77 -0.44 -0.21 117.00 117.75 2bb3 n LEU 136 Ca 0.13 0.48 -0.06 0.00 -0.03 0.00 0.00 56.01 56.52 2bb3 n LEU 136 Cb 0.41 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 2bb3 n LEU 136 CO 0.15 -0.45 0.22 0.11 -1.33 0.00 0.00 177.39 176.09 2bb3 h LYS 137 N 0.00 0.01 0.00 3.23 1.57 0.20 -3.02 116.57 118.56 2bb3 h LYS 137 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2bb3 h LYS 137 Cb 0.02 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2bb3 h LYS 137 CO 0.00 0.91 0.00 0.66 -0.57 0.00 0.00 179.45 180.45 2bb3 n TYR 138 N -3.47 0.00 -3.68 -1.35 4.02 0.22 -4.93 117.16 107.96 2bb3 n TYR 138 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 2bb3 n TYR 138 Cb 0.86 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.12 2bb3 n TYR 138 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2bb3 s ARG 139 N -0.15 0.90 0.69 -0.72 1.81 0.71 -4.94 118.95 117.24 2bb3 s ARG 139 Ca 0.00 -0.40 -0.11 0.00 -1.72 0.00 0.00 55.73 53.50 2bb3 s ARG 139 Cb 0.00 0.40 0.01 0.00 -0.45 0.00 0.00 34.95 34.90 2bb3 s ARG 139 CO 0.00 -0.30 1.06 -1.01 -0.68 0.00 0.00 175.30 174.37 2bb3 s HIS 140 N -2.50 3.25 -0.06 -0.53 3.76 -0.98 -3.85 115.29 114.38 2bb3 s HIS 140 Ca -0.05 1.27 0.01 0.00 -0.15 0.00 0.00 55.06 56.14 2bb3 s HIS 140 Cb -0.01 -2.91 -0.03 0.00 1.11 0.00 0.00 32.58 30.74 2bb3 s HIS 140 CO -0.03 -1.16 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.13 2bb3 s LEU 141 N -5.45 3.21 -0.31 0.89 1.43 0.83 -1.28 118.68 118.00 2bb3 s LEU 141 Ca 0.58 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 2bb3 s LEU 141 Cb -0.13 -1.71 0.09 0.00 0.03 0.00 0.00 46.19 44.47 2bb3 s LEU 141 CO 0.54 0.36 0.04 -0.22 0.23 0.00 0.00 176.35 177.29 2bb3 s LEU 142 N -0.86 3.69 -0.23 1.79 2.96 -0.55 -0.88 118.68 124.60 2bb3 s LEU 142 Ca 0.13 -1.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.11 2bb3 s LEU 142 Cb -0.11 -1.36 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 2bb3 s LEU 142 CO 0.02 -0.35 0.18 -0.63 -1.32 0.00 0.00 176.35 174.24 2bb3 s ILE 143 N 1.17 5.35 -0.51 6.68 1.01 -0.40 -0.72 121.20 133.79 2bb3 s ILE 143 Ca 0.07 0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.71 2bb3 s ILE 143 Cb -0.19 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2bb3 s ILE 143 CO -0.12 0.35 0.93 -0.76 0.00 0.00 0.00 174.94 175.34 2bb3 s LEU 144 N 0.95 4.06 0.37 2.97 1.43 0.35 -0.81 118.68 128.00 2bb3 s LEU 144 Ca 0.09 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2bb3 s LEU 144 Cb -0.13 -2.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.04 2bb3 s LEU 144 CO 0.04 -1.15 -0.01 0.00 0.23 0.00 0.00 176.35 175.45 2bb3 s ALA 145 N 3.85 2.91 0.47 4.21 0.00 0.67 -0.24 121.76 133.62 2bb3 s ALA 145 Ca 0.33 -2.18 0.02 0.00 0.00 0.00 0.00 51.96 50.14 2bb3 s ALA 145 Cb -0.11 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2bb3 s ALA 145 CO 0.22 -0.10 0.07 0.16 0.00 0.00 0.00 175.76 176.11 2bb3 s ASP 146 N -3.62 3.51 0.23 0.00 1.47 -1.26 -2.19 116.67 114.81 2bb3 s ASP 146 Ca 0.34 -1.69 0.15 0.00 1.18 0.00 0.00 52.55 52.53 2bb3 s ASP 146 Cb 0.07 0.56 0.80 0.00 -0.34 0.00 0.00 42.92 44.02 2bb3 s ASP 146 CO 0.17 -0.92 1.44 -1.54 0.68 0.00 0.00 175.17 175.00 2bb3 n SER 147 N -1.33 0.38 -1.11 2.11 3.41 -1.07 -1.91 113.62 114.10 2bb3 n SER 147 Ca -0.13 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 2bb3 n SER 147 Cb 0.66 -0.71 0.27 0.00 -0.26 0.00 0.00 64.21 64.17 2bb3 n SER 147 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2bb3 n HIS 148 N -2.02 0.69 -1.88 7.33 8.25 -1.26 -4.81 115.22 121.52 2bb3 n HIS 148 Ca -0.01 -0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 2bb3 n HIS 148 Cb 0.05 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 2bb3 n HIS 148 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2bb3 s PHE 149 N -1.31 2.77 -0.93 4.41 5.36 -0.80 -4.89 117.98 122.58 2bb3 s PHE 149 Ca 0.41 0.43 -0.24 0.00 -0.96 0.00 0.00 56.93 56.56 2bb3 s PHE 149 Cb 0.22 -4.00 0.02 0.00 -0.34 0.00 0.00 43.02 38.92 2bb3 s PHE 149 CO 0.30 -3.84 1.57 -1.25 -1.46 0.00 0.00 175.22 170.54 2bb3 s PRO 150 N 1.72 3.24 0.55 10.12 0.04 -1.26 -4.85 135.00 144.56 2bb3 s PRO 150 Ca 0.73 -0.71 0.24 0.00 0.04 0.00 0.00 61.00 61.30 2bb3 s PRO 150 Cb -0.44 -5.08 1.45 0.00 0.04 0.00 0.00 34.50 30.48 2bb3 s PRO 150 CO 0.32 -2.51 2.07 -0.07 0.04 0.00 0.00 177.00 176.85 2bb3 h LEU 151 N 14.25 0.00 -2.45 -3.56 3.38 -1.90 -0.57 115.31 124.45 2bb3 h LEU 151 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bb3 h LEU 151 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2bb3 h LEU 151 CO 1.35 0.00 -0.01 1.05 0.09 0.00 0.00 178.44 180.91 2bb3 h GLU 152 N 0.00 0.00 -1.97 1.13 -0.00 -1.89 -1.52 114.58 110.34 2bb3 h GLU 152 Ca 0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.41 2bb3 h GLU 152 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.32 2bb3 h GLU 152 CO -0.00 0.01 -0.08 0.54 -0.00 0.00 0.00 179.01 179.48 2bb3 n ARG 153 N -3.17 1.39 0.00 1.06 1.74 -0.22 -2.74 116.66 114.71 2bb3 n ARG 153 Ca -0.02 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 2bb3 n ARG 153 Cb 0.15 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2bb3 n ARG 153 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2bb3 n LEU 154 N 1.71 0.00 0.00 0.55 7.94 -0.57 -5.04 117.00 121.59 2bb3 n LEU 154 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2bb3 n LEU 154 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 2bb3 n LEU 154 CO 0.07 0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 2bb3 n GLY 155 N 0.00 2.74 1.35 -3.96 0.00 -1.11 -3.19 105.19 101.02 2bb3 n GLY 155 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.76 2bb3 n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bb3 n LYS 156 N 13.60 3.81 -2.13 1.61 5.02 -1.26 -2.67 118.16 136.14 2bb3 n LYS 156 Ca 0.00 -2.97 -0.40 0.00 -2.02 0.00 0.00 58.31 52.92 2bb3 n LYS 156 Cb 0.00 -2.01 -0.02 0.00 -0.02 0.00 0.00 35.03 32.98 2bb3 n LYS 156 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2bb3 s ARG 157 N -2.70 4.32 0.18 1.97 0.52 -1.19 -4.62 118.95 117.42 2bb3 s ARG 157 Ca 0.48 2.17 -0.30 0.00 -0.52 0.00 0.00 55.73 57.56 2bb3 s ARG 157 Cb 0.37 -3.03 -0.08 0.00 0.52 0.00 0.00 34.95 32.72 2bb3 s ARG 157 CO 0.13 -0.20 1.32 0.50 0.02 0.00 0.00 175.30 177.06 2bb3 s ARG 158 N -1.84 4.38 0.10 3.54 3.52 -1.26 -1.45 118.95 125.93 2bb3 s ARG 158 Ca 0.50 2.04 0.04 0.00 -0.13 0.00 0.00 55.73 58.18 2bb3 s ARG 158 Cb -0.39 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2bb3 s ARG 158 CO 0.51 -0.28 -0.11 0.14 -0.81 0.00 0.00 175.30 174.75 2bb3 s VAL 159 N 0.31 1.03 -0.12 7.11 -7.23 0.12 -4.48 120.40 117.13 2bb3 s VAL 159 Ca 0.58 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.21 2bb3 s VAL 159 Cb -0.36 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2bb3 s VAL 159 CO 0.36 -0.47 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.78 2bb3 s VAL 160 N -2.13 2.15 -0.25 1.32 1.01 -0.46 -2.17 120.40 119.87 2bb3 s VAL 160 Ca 0.04 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 2bb3 s VAL 160 Cb -0.05 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2bb3 s VAL 160 CO 0.01 0.55 0.09 -0.76 0.00 0.00 0.00 175.10 174.99 2bb3 s LEU 161 N 0.59 3.54 -0.38 3.92 1.43 0.02 0.01 118.68 127.81 2bb3 s LEU 161 Ca -0.12 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2bb3 s LEU 161 Cb -0.17 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.17 2bb3 s LEU 161 CO 0.03 -0.03 0.18 -0.76 0.23 0.00 0.00 176.35 176.01 2bb3 s LEU 162 N 1.57 4.84 -0.13 1.79 1.02 0.39 -1.02 118.68 127.14 2bb3 s LEU 162 Ca 0.06 -1.50 -0.05 0.00 0.02 0.00 0.00 54.13 52.67 2bb3 s LEU 162 Cb -0.15 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 2bb3 s LEU 162 CO 0.05 -0.46 0.04 -1.61 0.02 0.00 0.00 176.35 174.38 2bb3 s GLU 163 N 1.34 3.48 -1.43 1.70 2.02 0.47 -0.83 118.70 125.46 2bb3 s GLU 163 Ca 0.02 -0.36 -0.03 0.00 0.02 0.00 0.00 54.97 54.62 2bb3 s GLU 163 Cb -0.22 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.02 2bb3 s GLU 163 CO 0.01 0.50 0.51 0.09 0.02 0.00 0.00 175.26 176.39 2bb3 n ASN 164 N 2.78 -0.92 -4.64 -0.19 3.02 -0.37 -1.04 115.26 113.90 2bb3 n ASN 164 Ca -0.18 -0.97 -0.48 0.00 -0.03 0.00 0.00 54.58 52.92 2bb3 n ASN 164 Cb 0.53 -3.18 -0.05 0.00 -0.61 0.00 0.00 39.78 36.47 2bb3 n ASN 164 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bb3 n LEU 165 N -4.40 2.64 -2.79 3.41 4.77 -1.26 -3.49 117.00 115.89 2bb3 n LEU 165 Ca -0.25 1.09 -0.11 0.00 -0.03 0.00 0.00 56.01 56.71 2bb3 n LEU 165 Cb 0.66 -1.35 0.05 0.00 -2.33 0.00 0.00 43.42 40.45 2bb3 n LEU 165 CO 0.75 -0.53 0.03 0.00 -1.33 0.00 0.00 177.39 176.32 2bb3 h GLU 168 N -0.75 0.14 -0.74 0.00 4.57 -2.00 -3.46 114.58 112.35 2bb3 h GLU 168 Ca -0.43 -0.24 -0.40 0.00 -1.18 0.00 0.00 59.36 57.11 2bb3 h GLU 168 Cb 1.22 0.09 -0.23 0.00 -0.16 0.00 0.00 28.75 29.67 2bb3 h GLU 168 CO 0.32 1.04 0.34 0.41 -1.18 0.00 0.00 179.01 179.94 2bb3 n GLY 169 N 1.50 4.79 3.67 1.92 0.00 -1.26 -5.03 105.19 110.78 2bb3 n GLY 169 Ca -0.08 -1.25 -0.46 0.00 0.00 0.00 0.00 46.02 44.23 2bb3 n GLY 169 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bb3 n GLU 170 N -1.12 2.18 -3.85 1.61 2.13 -1.23 -4.69 120.64 115.67 2bb3 n GLU 170 Ca 0.49 0.79 -0.12 0.00 0.66 0.00 0.00 57.16 58.98 2bb3 n GLU 170 Cb 1.35 -2.56 -0.11 0.00 0.27 0.00 0.00 31.44 30.39 2bb3 n GLU 170 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2bb3 s ARG 171 N 1.01 0.29 -0.15 5.31 0.52 -0.20 -5.01 118.95 120.72 2bb3 s ARG 171 Ca 0.79 -0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.94 2bb3 s ARG 171 Cb -0.67 0.13 0.02 0.00 0.52 0.00 0.00 34.95 34.94 2bb3 s ARG 171 CO 0.38 -0.06 -0.17 0.42 0.02 0.00 0.00 175.30 175.89 2bb3 s ILE 172 N -0.55 1.78 0.17 1.52 1.01 -1.26 -0.39 121.20 123.48 2bb3 s ILE 172 Ca -0.06 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 59.89 2bb3 s ILE 172 Cb -0.04 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2bb3 s ILE 172 CO 0.01 0.49 -0.18 -0.13 0.00 0.00 0.00 174.94 175.13 2bb3 s ARG 173 N 1.20 1.30 0.05 2.79 0.52 -0.19 -4.97 118.95 119.65 2bb3 s ARG 173 Ca 0.00 -1.44 0.03 0.00 -0.52 0.00 0.00 55.73 53.80 2bb3 s ARG 173 Cb -0.14 -1.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 2bb3 s ARG 173 CO -0.08 0.26 -0.10 -2.00 0.02 0.00 0.00 175.30 173.40 2bb3 s GLU 174 N -2.93 0.66 0.00 3.54 2.12 -1.26 -0.80 118.70 120.04 2bb3 s GLU 174 Ca 0.17 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.73 2bb3 s GLU 174 Cb -0.05 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.79 2bb3 s GLU 174 CO 0.07 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.32 2bb3 n GLY 175 N 1.57 -1.33 3.68 -1.50 0.00 -0.92 -5.02 105.19 101.67 2bb3 n GLY 175 Ca -0.21 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 2bb3 n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bb3 s ASN 176 N -3.97 5.54 0.46 1.61 0.02 -1.26 0.13 114.94 117.46 2bb3 s ASN 176 Ca 0.00 0.16 0.30 0.00 -1.02 0.00 0.00 52.86 52.29 2bb3 s ASN 176 Cb 0.00 -1.78 1.38 0.00 0.02 0.00 0.00 41.25 40.87 2bb3 s ASN 176 CO 0.00 0.29 1.70 0.00 0.02 0.00 0.00 177.10 179.11 2bb3 h ALA 177 N 5.81 2.77 0.00 0.60 0.00 -1.43 0.24 119.26 127.25 2bb3 h ALA 177 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2bb3 h ALA 177 Cb 1.19 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2bb3 h ALA 177 CO 0.62 -1.27 0.00 0.38 0.00 0.00 0.00 179.25 178.98 2bb3 h ASP 178 N 0.16 0.00 0.00 0.00 3.04 -1.80 -3.35 116.42 114.47 2bb3 h ASP 178 Ca 0.71 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.50 2bb3 h ASP 178 Cb 2.30 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 40.59 2bb3 h ASP 178 CO -0.26 0.00 -0.17 -1.54 -2.04 0.00 0.00 179.24 175.23 2bb3 n SER 179 N -3.06 1.67 -4.23 4.15 3.41 0.79 -5.02 113.62 111.33 2bb3 n SER 179 Ca 0.03 -2.81 -0.26 0.00 -0.26 0.00 0.00 58.87 55.57 2bb3 n SER 179 Cb 0.48 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.91 2bb3 n SER 179 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2bb3 s ILE 180 N -2.07 1.63 -0.08 -1.33 2.07 -0.82 -4.82 121.20 115.79 2bb3 s ILE 180 Ca 0.24 -0.99 -0.02 0.00 -1.41 0.00 0.00 60.65 58.47 2bb3 s ILE 180 Cb 0.21 -1.38 -0.03 0.00 0.13 0.00 0.00 42.46 41.39 2bb3 s ILE 180 CO 0.01 0.37 0.03 -1.61 -1.91 0.00 0.00 174.94 171.83 2bb3 s GLU 181 N -0.73 3.04 0.38 3.50 8.01 -1.26 -4.91 118.70 126.74 2bb3 s GLU 181 Ca 0.08 -0.39 -0.13 0.00 0.01 0.00 0.00 54.97 54.54 2bb3 s GLU 181 Cb -0.08 -2.85 -0.07 0.00 -4.31 0.00 0.00 34.13 26.81 2bb3 s GLU 181 CO 0.00 0.70 0.77 -0.51 0.01 0.00 0.00 175.26 176.23 2bb3 s LEU 182 N -1.04 3.91 0.00 1.80 1.43 -1.26 -4.97 118.68 118.55 2bb3 s LEU 182 Ca 0.15 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2bb3 s LEU 182 Cb -0.11 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.04 2bb3 s LEU 182 CO 0.04 -0.33 0.00 -1.84 0.23 0.00 0.00 176.35 174.45 2bb3 n GLU 183 N -0.94 1.04 -4.83 1.70 0.28 -1.26 -5.01 120.64 111.61 2bb3 n GLU 183 Ca 0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.72 2bb3 n GLU 183 Cb 0.54 -0.09 -0.14 0.00 1.43 0.00 0.00 31.44 33.18 2bb3 n GLU 183 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2bb3 s SER 184 N 0.00 3.49 0.00 -1.84 0.15 -1.26 -4.90 113.70 109.34 2bb3 s SER 184 Ca 0.00 -0.48 0.30 0.00 0.70 0.00 0.00 55.95 56.47 2bb3 s SER 184 Cb 0.00 -0.47 1.55 0.00 -1.71 0.00 0.00 66.02 65.39 2bb3 s SER 184 CO 0.00 0.27 2.06 0.47 1.20 0.00 0.00 173.24 177.24 2bb3 n ASP 185 N 1.78 0.00 -3.73 5.45 8.00 -1.26 -2.59 116.55 124.19 2bb3 n ASP 185 Ca -0.17 -0.23 -0.33 0.00 0.71 0.00 0.00 54.79 54.77 2bb3 n ASP 185 Cb 0.52 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 2bb3 n ASP 185 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2bb3 n TYR 186 N -1.25 3.32 -4.50 1.24 4.02 -1.26 -4.16 117.16 114.57 2bb3 n TYR 186 Ca 0.15 -3.69 -0.31 0.00 -0.01 0.00 0.00 57.90 54.04 2bb3 n TYR 186 Cb 0.22 -0.86 -0.17 0.00 -0.02 0.00 0.00 39.34 38.52 2bb3 n TYR 186 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2bb3 s THR 187 N -2.36 1.82 -0.17 -0.72 2.01 -0.93 -1.23 115.64 114.06 2bb3 s THR 187 Ca 0.35 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 2bb3 s THR 187 Cb 0.08 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2bb3 s THR 187 CO -0.00 0.50 0.05 -0.63 -0.69 0.00 0.00 174.62 173.85 2bb3 s ILE 188 N 0.97 4.70 -0.32 1.82 1.01 -0.01 -0.24 121.20 129.13 2bb3 s ILE 188 Ca -0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2bb3 s ILE 188 Cb -0.15 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.25 2bb3 s ILE 188 CO -0.03 0.49 0.09 -0.63 0.00 0.00 0.00 174.94 174.86 2bb3 s ILE 189 N 0.17 3.87 -0.24 2.92 1.01 0.01 -0.46 121.20 128.49 2bb3 s ILE 189 Ca 0.04 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 2bb3 s ILE 189 Cb -0.12 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2bb3 s ILE 189 CO 0.01 -0.05 0.41 0.12 0.00 0.00 0.00 174.94 175.43 2bb3 s PHE 190 N 1.45 3.30 -0.27 3.97 5.36 0.10 -1.27 117.98 130.62 2bb3 s PHE 190 Ca 0.00 0.54 0.03 0.00 -0.96 0.00 0.00 56.93 56.55 2bb3 s PHE 190 Cb -0.18 -2.58 0.07 0.00 -0.34 0.00 0.00 43.02 39.98 2bb3 s PHE 190 CO 0.03 -0.15 -0.06 0.08 -1.46 0.00 0.00 175.22 173.66 2bb3 s VAL 191 N 1.79 2.04 0.46 3.12 1.01 -0.05 -1.35 120.40 127.42 2bb3 s VAL 191 Ca 0.18 -1.69 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 2bb3 s VAL 191 Cb -0.15 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 2bb3 s VAL 191 CO 0.09 -0.17 1.36 -1.61 0.00 0.00 0.00 175.10 174.77 2bb3 s GLU 192 N 1.13 3.65 0.30 2.72 2.02 -1.26 -0.12 118.70 127.14 2bb3 s GLU 192 Ca -0.04 2.27 -0.29 0.00 0.02 0.00 0.00 54.97 56.92 2bb3 s GLU 192 Cb -0.20 -2.58 -0.11 0.00 0.10 0.00 0.00 34.13 31.35 2bb3 s GLU 192 CO -0.06 -0.80 1.47 -0.98 0.02 0.00 0.00 175.26 174.91 2bb3 s ARG 193 N -2.51 4.20 -0.95 1.61 1.70 -1.26 -4.82 118.95 116.92 2bb3 s ARG 193 Ca 0.62 2.43 -0.24 0.00 -0.47 0.00 0.00 55.73 58.07 2bb3 s ARG 193 Cb -0.40 -3.05 0.03 0.00 -0.57 0.00 0.00 34.95 30.96 2bb3 s ARG 193 CO 0.51 -0.47 1.51 -1.21 -1.08 0.00 0.00 175.30 174.56 2bb3 s GLU 194 N -1.05 3.36 0.00 3.89 2.02 -1.14 -4.99 118.70 120.79 2bb3 s GLU 194 Ca 0.57 -0.82 0.26 0.00 0.02 0.00 0.00 54.97 55.00 2bb3 s GLU 194 Cb -0.44 -5.11 0.62 0.00 0.10 0.00 0.00 34.13 29.30 2bb3 s GLU 194 CO 0.51 -2.38 1.50 1.55 0.02 0.00 0.00 175.26 176.46