#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5g s VAL 5 N 0.00 0.47 -0.23 1.97 -7.23 -0.14 -4.97 120.40 110.28 2b5g s VAL 5 Ca 0.00 -0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 59.53 2b5g s VAL 5 Cb 0.00 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 2b5g s VAL 5 CO 0.00 -0.07 0.10 -0.63 -0.31 0.00 0.00 175.10 174.19 2b5g s ILE 6 N -0.60 4.81 0.09 -0.62 -1.09 -1.26 -0.86 121.20 121.67 2b5g s ILE 6 Ca -0.02 -0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.33 2b5g s ILE 6 Cb -0.05 -3.22 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 2b5g s ILE 6 CO 0.00 0.37 0.12 0.00 -1.23 0.00 0.00 174.94 174.20 2b5g s ARG 7 N 1.08 0.82 0.55 2.79 1.70 -0.72 -4.97 118.95 120.20 2b5g s ARG 7 Ca 0.05 -1.13 -0.20 0.00 -0.47 0.00 0.00 55.73 53.99 2b5g s ARG 7 Cb -0.14 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 2b5g s ARG 7 CO 0.04 -0.24 1.20 -2.14 -1.08 0.00 0.00 175.30 173.08 2b5g s PRO 8 N -3.92 3.21 0.84 3.89 0.02 -1.26 -1.02 135.00 136.76 2b5g s PRO 8 Ca 0.10 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 2b5g s PRO 8 Cb 0.06 -2.07 0.10 0.00 0.02 0.00 0.00 34.50 32.61 2b5g s PRO 8 CO -0.08 -1.02 1.09 0.00 -0.33 0.00 0.00 177.00 176.67 2b5g s ALA 9 N -1.58 1.90 0.33 -1.55 0.00 -0.06 -4.76 121.76 116.05 2b5g s ALA 9 Ca 0.73 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.68 2b5g s ALA 9 Cb -0.30 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2b5g s ALA 9 CO 0.34 -2.04 -0.00 0.95 0.00 0.00 0.00 175.76 175.01 2b5g s THR 10 N -3.01 1.61 0.35 0.00 -4.23 -1.26 -4.97 115.64 104.13 2b5g s THR 10 Ca 0.62 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 2b5g s THR 10 Cb -0.17 -2.73 0.32 0.00 1.34 0.00 0.00 72.50 71.26 2b5g s THR 10 CO 0.56 -0.11 1.88 0.00 -0.54 0.00 0.00 174.62 176.41 2b5g h ALA 11 N 2.08 1.79 -0.03 3.99 0.00 -1.98 -0.96 119.26 124.16 2b5g h ALA 11 Ca -0.41 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2b5g h ALA 11 Cb 1.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2b5g h ALA 11 CO 0.72 -0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.93 2b5g h ALA 12 N 1.59 1.91 0.00 0.00 0.00 -2.03 -2.35 119.26 118.39 2b5g h ALA 12 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2b5g h ALA 12 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2b5g h ALA 12 CO -0.19 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.88 2b5g n ASP 13 N -4.48 0.00 -0.25 0.00 8.00 -0.36 -3.91 116.55 115.55 2b5g n ASP 13 Ca -0.03 0.23 0.25 0.00 0.71 0.00 0.00 54.79 55.95 2b5g n ASP 13 Cb 0.13 -0.38 0.61 0.00 -0.02 0.00 0.00 41.12 41.45 2b5g n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b5g h SER 15 N 0.23 0.21 -0.57 0.00 0.87 -1.84 -2.51 113.55 109.93 2b5g h SER 15 Ca 0.49 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 2b5g h SER 15 Cb 1.54 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 2b5g h SER 15 CO -0.13 0.52 0.02 0.44 -0.53 0.00 0.00 176.83 177.15 2b5g h ASP 16 N -0.10 0.97 -0.61 6.23 5.19 -1.56 -2.51 116.42 124.02 2b5g h ASP 16 Ca 0.03 -0.30 0.03 0.00 -0.62 0.00 0.00 57.03 56.17 2b5g h ASP 16 Cb 0.43 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.64 2b5g h ASP 16 CO 0.01 1.03 0.37 0.40 -3.12 0.00 0.00 179.24 177.93 2b5g h ILE 17 N 0.88 1.07 -0.67 0.35 1.08 -1.26 -1.76 117.51 117.20 2b5g h ILE 17 Ca 0.16 -0.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.31 2b5g h ILE 17 Cb 0.52 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 2b5g h ILE 17 CO 0.03 0.13 0.13 0.25 -0.69 0.00 0.00 178.15 178.00 2b5g h LEU 18 N 0.72 1.04 -0.70 1.44 5.85 -1.30 0.35 115.31 122.72 2b5g h LEU 18 Ca 0.25 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2b5g h LEU 18 Cb 0.03 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2b5g h LEU 18 CO -0.11 1.02 0.45 -0.09 -0.34 0.00 0.00 178.44 179.38 2b5g h ARG 19 N 1.02 0.88 -0.31 1.25 2.43 -1.07 -1.39 114.38 117.19 2b5g h ARG 19 Ca 0.21 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 2b5g h ARG 19 Cb 0.41 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2b5g h ARG 19 CO 0.01 0.59 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.49 2b5g h LEU 20 N 0.91 0.95 -0.62 3.80 3.38 -1.05 -2.52 115.31 120.16 2b5g h LEU 20 Ca 0.27 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.82 2b5g h LEU 20 Cb -0.06 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 2b5g h LEU 20 CO -0.08 1.27 0.31 0.40 0.09 0.00 0.00 178.44 180.43 2b5g h ILE 21 N 0.68 0.91 -0.26 1.22 2.04 -0.52 -0.81 117.51 120.77 2b5g h ILE 21 Ca 0.03 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2b5g h ILE 21 Cb 1.09 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2b5g h ILE 21 CO 0.11 0.10 -0.12 0.11 0.00 0.00 0.00 178.15 178.35 2b5g h LYS 22 N 0.57 0.43 -0.21 2.37 1.57 -1.13 0.90 116.57 121.07 2b5g h LYS 22 Ca 0.29 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2b5g h LYS 22 Cb 0.24 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2b5g h LYS 22 CO -0.21 0.56 -0.01 0.93 -0.57 0.00 0.00 179.45 180.14 2b5g h GLU 23 N 0.40 0.38 -0.83 3.15 5.08 -0.87 -2.99 114.58 118.89 2b5g h GLU 23 Ca 0.08 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2b5g h GLU 23 Cb 0.46 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2b5g h GLU 23 CO 0.03 0.59 0.49 1.25 -1.00 0.00 0.00 179.01 180.36 2b5g h LEU 24 N 0.13 1.02 -2.01 1.33 5.85 -0.97 -2.35 115.31 118.31 2b5g h LEU 24 Ca 0.06 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2b5g h LEU 24 Cb 0.43 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2b5g h LEU 24 CO 0.01 0.80 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 2b5g n ALA 25 N -2.37 1.41 0.00 1.25 0.00 0.29 -1.02 120.51 120.06 2b5g n ALA 25 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2b5g n ALA 25 Cb 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2b5g n ALA 25 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2b5g n TYR 27 N 0.95 0.00 0.46 0.00 9.36 -0.88 -1.34 117.16 125.71 2b5g n TYR 27 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 2b5g n TYR 27 Cb 0.00 0.00 0.26 0.00 -0.63 0.00 0.00 39.34 38.97 2b5g n TYR 27 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2b5g n GLU 28 N 0.00 2.20 -2.82 2.98 -0.58 -0.19 -5.15 120.64 117.08 2b5g n GLU 28 Ca 0.00 -1.85 -0.02 0.00 -0.42 0.00 0.00 57.16 54.87 2b5g n GLU 28 Cb 0.00 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 2b5g n GLU 28 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2b5g n TYR 29 N 1.02 -2.78 0.00 -0.32 4.02 -0.45 -5.18 117.16 113.47 2b5g n TYR 29 Ca 0.18 1.08 0.00 0.00 -0.01 0.00 0.00 57.90 59.15 2b5g n TYR 29 Cb 0.46 -3.81 0.00 0.00 -0.02 0.00 0.00 39.34 35.97 2b5g n TYR 29 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2b5g n GLU 31 N -1.25 0.00 0.09 -0.72 0.28 -1.18 -5.02 120.64 112.85 2b5g n GLU 31 Ca 0.03 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.14 2b5g n GLU 31 Cb 0.47 0.00 0.44 0.00 1.43 0.00 0.00 31.44 33.78 2b5g n GLU 31 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2b5g n GLU 32 N 0.00 0.14 0.00 3.44 2.13 -1.26 -2.63 120.64 122.46 2b5g n GLU 32 Ca 0.00 0.36 0.12 0.00 0.66 0.00 0.00 57.16 58.31 2b5g n GLU 32 Cb 0.00 -1.76 0.29 0.00 0.27 0.00 0.00 31.44 30.24 2b5g n GLU 32 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2b5g n GLN 33 N -2.02 0.79 -2.45 5.31 1.13 -1.26 -4.76 117.38 114.13 2b5g n GLN 33 Ca 0.03 -0.51 -0.40 0.00 -1.94 0.00 0.00 57.00 54.18 2b5g n GLN 33 Cb 0.22 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 2b5g n GLN 33 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2b5g s VAL 34 N -2.56 3.69 -1.04 5.09 1.01 -1.08 -4.73 120.40 120.79 2b5g s VAL 34 Ca 0.22 0.12 0.20 0.00 0.00 0.00 0.00 61.98 62.52 2b5g s VAL 34 Cb 0.19 -4.75 -0.19 0.00 0.00 0.00 0.00 36.38 31.62 2b5g s VAL 34 CO 0.55 -1.69 0.86 -0.38 0.00 0.00 0.00 175.10 174.45 2b5g n ILE 35 N 6.67 0.00 -2.19 2.22 5.41 -1.26 -4.98 119.36 125.23 2b5g n ILE 35 Ca 0.13 -0.06 -0.35 0.00 1.00 0.00 0.00 62.75 63.47 2b5g n ILE 35 Cb 0.50 1.03 0.01 0.00 -0.71 0.00 0.00 39.64 40.46 2b5g n ILE 35 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2b5g s LEU 36 N -2.87 3.70 0.33 1.39 1.43 -1.26 -5.07 118.68 116.33 2b5g s LEU 36 Ca 0.09 2.14 0.07 0.00 -1.03 0.00 0.00 54.13 55.39 2b5g s LEU 36 Cb 0.15 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 2b5g s LEU 36 CO 0.78 -1.26 -0.04 0.42 0.23 0.00 0.00 176.35 176.47 2b5g s THR 37 N -1.87 1.86 0.60 5.49 -4.23 -1.26 -5.00 115.64 111.22 2b5g s THR 37 Ca 0.72 -2.11 0.38 0.00 -1.18 0.00 0.00 61.69 59.49 2b5g s THR 37 Cb -0.23 -2.66 0.40 0.00 1.34 0.00 0.00 72.50 71.35 2b5g s THR 37 CO 0.29 -0.17 2.30 -0.33 -0.54 0.00 0.00 174.62 176.16 2b5g h GLU 38 N 2.08 0.00 -0.13 3.99 5.08 -1.98 0.15 114.58 123.77 2b5g h GLU 38 Ca -0.41 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 2b5g h GLU 38 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2b5g h GLU 38 CO 0.71 0.01 -0.34 -0.22 -1.00 0.00 0.00 179.01 178.17 2b5g h LYS 39 N 0.00 0.45 -0.21 2.33 3.64 -1.95 -1.97 116.57 118.86 2b5g h LYS 39 Ca -0.00 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 2b5g h LYS 39 Cb 0.04 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2b5g h LYS 39 CO 0.00 0.93 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.64 2b5g h ASP 40 N 0.04 0.39 -0.95 4.20 3.32 -1.52 -0.99 116.42 120.91 2b5g h ASP 40 Ca -0.01 -0.34 0.12 0.00 0.02 0.00 0.00 57.03 56.82 2b5g h ASP 40 Cb 0.95 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.32 2b5g h ASP 40 CO 0.07 0.65 0.61 -0.07 -1.72 0.00 0.00 179.24 178.78 2b5g h LEU 41 N 0.14 0.84 -0.26 1.55 3.38 -1.07 0.32 115.31 120.20 2b5g h LEU 41 Ca 0.06 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2b5g h LEU 41 Cb 0.46 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2b5g h LEU 41 CO 0.02 0.45 -0.36 0.25 0.09 0.00 0.00 178.44 178.89 2b5g h LEU 42 N 0.90 0.76 -0.11 1.67 6.46 -0.99 -1.51 115.31 122.50 2b5g h LEU 42 Ca 0.46 -0.51 -0.24 0.00 -0.12 0.00 0.00 57.88 57.48 2b5g h LEU 42 Cb 0.51 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2b5g h LEU 42 CO -0.23 1.12 -1.00 -0.33 -0.62 0.00 0.00 178.44 177.38 2b5g h GLU 43 N 0.43 0.40 0.00 1.25 5.08 -0.33 -2.43 114.58 118.97 2b5g h GLU 43 Ca 0.03 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2b5g h GLU 43 Cb 0.94 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2b5g h GLU 43 CO 0.08 1.14 -0.44 -0.44 -1.00 0.00 0.00 179.01 178.35 2b5g h ASP 44 N 0.21 0.00 0.00 1.42 3.32 -0.48 -3.37 116.42 117.52 2b5g h ASP 44 Ca -0.09 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2b5g h ASP 44 Cb 1.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.21 2b5g h ASP 44 CO 0.17 0.03 -1.07 0.61 -1.72 0.00 0.00 179.24 177.26 2b5g n GLY 45 N 1.23 -0.28 2.70 2.75 0.00 -0.57 0.64 105.19 111.67 2b5g n GLY 45 Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 2b5g n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b5g n PHE 46 N -1.61 1.48 -0.03 1.61 3.01 -0.92 -4.90 117.46 116.11 2b5g n PHE 46 Ca -0.00 -2.14 0.00 0.00 1.01 0.00 0.00 57.45 56.32 2b5g n PHE 46 Cb 0.23 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 2b5g n PHE 46 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2b5g n PHE 51 N -0.61 0.00 -3.78 1.38 3.72 0.21 -4.99 117.46 113.39 2b5g n PHE 51 Ca 0.13 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.45 2b5g n PHE 51 Cb 0.83 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.35 2b5g n PHE 51 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2b5g s TYR 52 N -2.14 -0.21 0.03 1.38 -0.85 -1.25 -4.86 117.35 109.44 2b5g s TYR 52 Ca 0.00 -0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.39 2b5g s TYR 52 Cb 0.00 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 42.94 2b5g s TYR 52 CO 0.00 -1.13 -0.10 -1.01 -1.52 0.00 0.00 175.55 171.79 2b5g s HIS 53 N -3.89 0.89 0.02 -3.49 3.76 0.45 -4.74 115.29 108.28 2b5g s HIS 53 Ca 0.10 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 2b5g s HIS 53 Cb -0.04 -0.54 -0.02 0.00 1.11 0.00 0.00 32.58 33.09 2b5g s HIS 53 CO 0.03 -0.01 -0.17 0.00 -0.85 0.00 0.00 174.74 173.74 2b5g s LEU 55 N -0.81 3.17 0.08 0.00 1.43 0.47 -0.88 118.68 122.14 2b5g s LEU 55 Ca 0.05 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 2b5g s LEU 55 Cb -0.07 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2b5g s LEU 55 CO 0.01 0.27 -0.16 0.68 0.23 0.00 0.00 176.35 177.38 2b5g s VAL 56 N -1.02 1.27 -0.32 -1.59 -7.23 -0.19 -0.88 120.40 110.44 2b5g s VAL 56 Ca 0.18 -1.37 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 2b5g s VAL 56 Cb -0.11 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 2b5g s VAL 56 CO 0.08 -0.19 0.19 0.00 -0.31 0.00 0.00 175.10 174.87 2b5g s ALA 57 N -1.26 3.37 -0.11 1.32 0.00 -0.08 -1.76 121.76 123.24 2b5g s ALA 57 Ca 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 2b5g s ALA 57 Cb -0.10 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2b5g s ALA 57 CO 0.03 -0.91 -0.04 -2.00 0.00 0.00 0.00 175.76 172.83 2b5g s GLU 58 N 1.66 3.25 0.24 0.00 2.12 -0.03 -1.32 118.70 124.61 2b5g s GLU 58 Ca 0.05 -0.50 0.07 0.00 0.36 0.00 0.00 54.97 54.95 2b5g s GLU 58 Cb -0.17 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2b5g s GLU 58 CO 0.08 0.47 0.12 0.14 -0.54 0.00 0.00 175.26 175.53 2b5g s VAL 59 N -0.25 4.14 0.52 3.70 -7.23 -0.17 -0.97 120.40 120.12 2b5g s VAL 59 Ca 0.04 -1.50 0.36 0.00 -1.81 0.00 0.00 61.98 59.07 2b5g s VAL 59 Cb -0.13 -3.20 0.38 0.00 0.56 0.00 0.00 36.38 33.99 2b5g s VAL 59 CO 0.02 -0.31 2.22 -0.65 -0.31 0.00 0.00 175.10 176.08 2b5g h PRO 60 N 1.80 0.00 -1.67 4.82 0.11 -1.97 -3.46 132.00 131.62 2b5g h PRO 60 Ca -0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.74 2b5g h PRO 60 Cb 1.23 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.13 2b5g h PRO 60 CO 0.61 0.03 0.57 -1.58 -0.21 0.00 0.00 178.00 177.42 2b5g s TRP 64 N -4.21 -0.34 0.99 0.65 0.52 -1.26 -5.13 118.94 110.16 2b5g s TRP 64 Ca -0.04 0.50 -0.11 0.00 0.02 0.00 0.00 56.10 56.47 2b5g s TRP 64 Cb 0.13 0.47 0.19 0.00 -1.15 0.00 0.00 33.47 33.11 2b5g s TRP 64 CO 0.50 -0.36 1.09 0.95 0.02 0.00 0.00 176.95 179.16 2b5g s THR 65 N -1.56 2.21 0.49 2.01 -4.23 -0.16 -4.81 115.64 109.60 2b5g s THR 65 Ca 0.01 0.07 0.23 0.00 -1.18 0.00 0.00 61.69 60.81 2b5g s THR 65 Cb -0.01 -2.20 0.40 0.00 1.34 0.00 0.00 72.50 72.03 2b5g s THR 65 CO -0.01 -0.09 1.95 -0.65 -0.54 0.00 0.00 174.62 175.27 2b5g h PRO 66 N -2.05 0.15 -0.39 3.99 0.11 -2.06 0.22 132.00 131.98 2b5g h PRO 66 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2b5g h PRO 66 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2b5g h PRO 66 CO 0.47 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.51 2b5g n GLU 67 N -4.40 2.22 -0.12 1.05 0.00 -1.26 -4.97 120.64 113.15 2b5g n GLU 67 Ca 0.13 -1.86 0.00 0.00 0.00 0.00 0.00 57.16 55.44 2b5g n GLU 67 Cb 0.64 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.63 2b5g n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b5g n GLY 68 N 1.36 0.93 3.79 -1.84 0.00 0.06 -5.09 105.19 104.40 2b5g n GLY 68 Ca 0.18 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2b5g n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b5g s HIS 69 N -2.00 3.85 -0.67 1.61 3.76 -1.26 -4.80 115.29 115.79 2b5g s HIS 69 Ca 0.00 1.44 0.19 0.00 -0.15 0.00 0.00 55.06 56.54 2b5g s HIS 69 Cb 0.00 -2.62 -0.23 0.00 1.11 0.00 0.00 32.58 30.83 2b5g s HIS 69 CO 0.00 0.55 0.71 -1.13 -0.85 0.00 0.00 174.74 174.02 2b5g n SER 70 N 1.71 0.79 -4.58 1.40 3.41 -1.26 -0.99 113.62 114.10 2b5g n SER 70 Ca -0.08 -0.69 -0.39 0.00 -0.26 0.00 0.00 58.87 57.45 2b5g n SER 70 Cb 0.50 1.24 -0.10 0.00 -0.26 0.00 0.00 64.21 65.59 2b5g n SER 70 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2b5g s ILE 71 N -2.96 5.25 -0.25 -1.33 -1.09 -1.26 -1.00 121.20 118.55 2b5g s ILE 71 Ca 0.03 0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.70 2b5g s ILE 71 Cb 0.14 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2b5g s ILE 71 CO 0.80 0.15 0.70 1.33 -1.23 0.00 0.00 174.94 176.68 2b5g n VAL 72 N 5.10 0.26 -3.53 2.92 0.24 -0.44 -5.02 118.33 117.87 2b5g n VAL 72 Ca -0.12 -0.63 -0.09 0.00 -2.04 0.00 0.00 64.34 61.46 2b5g n VAL 72 Cb 0.51 0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 33.77 2b5g n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2b5g s GLY 73 N -0.40 -0.47 0.21 7.63 0.00 -1.23 -4.54 107.32 108.53 2b5g s GLY 73 Ca 0.03 0.57 -0.21 0.00 0.00 0.00 0.00 44.72 45.11 2b5g s GLY 73 CO 0.03 0.19 0.63 -0.11 0.00 0.00 0.00 173.10 173.83 2b5g s PHE 74 N -3.48 -0.34 0.00 1.90 -0.71 -0.27 -0.90 117.98 114.19 2b5g s PHE 74 Ca 0.05 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 2b5g s PHE 74 Cb -0.02 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 2b5g s PHE 74 CO -0.08 -1.00 0.00 0.00 -1.34 0.00 0.00 175.22 172.81 2b5g n ALA 75 N -0.40 0.00 0.00 1.99 0.00 -0.06 -1.71 120.51 120.33 2b5g n ALA 75 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2b5g n ALA 75 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2b5g n ALA 75 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2b5g n TYR 77 N 0.00 0.00 -3.86 0.00 0.18 0.38 -0.39 117.16 113.47 2b5g n TYR 77 Ca 0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.70 2b5g n TYR 77 Cb 0.00 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 38.95 2b5g n TYR 77 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 2b5g s TYR 78 N -2.00 -0.03 -0.02 -3.48 -0.85 -0.57 -0.41 117.35 109.98 2b5g s TYR 78 Ca 0.00 -0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 56.03 2b5g s TYR 78 Cb 0.00 0.71 -0.04 0.00 0.38 0.00 0.00 41.96 43.01 2b5g s TYR 78 CO 0.00 -1.33 0.16 -0.06 -1.52 0.00 0.00 175.55 172.79 2b5g s PHE 79 N -3.39 3.50 0.31 -3.49 0.08 -1.26 -0.28 117.98 113.45 2b5g s PHE 79 Ca 0.13 0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.56 2b5g s PHE 79 Cb -0.05 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2b5g s PHE 79 CO 0.09 0.64 0.10 0.25 -0.10 0.00 0.00 175.22 176.20 2b5g n THR 80 N 1.13 0.00 -3.85 0.64 -2.24 -0.31 -4.90 114.28 104.75 2b5g n THR 80 Ca -0.12 -1.77 -0.12 0.00 -2.27 0.00 0.00 64.05 59.76 2b5g n THR 80 Cb 0.53 0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 69.24 2b5g n THR 80 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2b5g s TYR 81 N -2.67 -0.02 -0.13 4.78 6.14 -1.26 -0.91 117.35 123.27 2b5g s TYR 81 Ca 0.15 0.08 0.03 0.00 0.64 0.00 0.00 57.07 57.96 2b5g s TYR 81 Cb 0.01 -0.03 0.01 0.00 0.42 0.00 0.00 41.96 42.37 2b5g s TYR 81 CO 0.10 -0.02 -0.22 0.34 0.64 0.00 0.00 175.55 176.39 2b5g s ASP 82 N 0.18 3.09 0.58 4.32 -1.08 -0.22 -4.96 116.67 118.58 2b5g s ASP 82 Ca -0.01 -0.60 0.39 0.00 -0.52 0.00 0.00 52.55 51.81 2b5g s ASP 82 Cb -0.02 -1.43 2.06 0.00 -1.46 0.00 0.00 42.92 42.07 2b5g s ASP 82 CO -0.01 0.09 2.19 -0.65 0.52 0.00 0.00 175.17 177.31 2b5g h PRO 83 N 7.25 0.00 0.15 4.34 0.11 -2.01 0.39 132.00 142.23 2b5g h PRO 83 Ca -0.31 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.45 2b5g h PRO 83 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2b5g h PRO 83 CO 0.54 0.00 -1.82 -1.49 -0.21 0.00 0.00 178.00 175.03 2b5g h TRP 84 N 0.00 0.58 0.00 0.65 6.55 -2.05 -3.43 115.95 118.25 2b5g h TRP 84 Ca 0.00 -0.42 0.00 0.00 0.95 0.00 0.00 58.89 59.42 2b5g h TRP 84 Cb 0.06 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 2b5g h TRP 84 CO 0.00 1.66 0.00 0.44 -1.05 0.00 0.00 178.44 179.49 2b5g n ILE 85 N -3.52 0.16 -0.63 1.49 -5.35 -1.09 -5.15 119.36 105.28 2b5g n ILE 85 Ca -0.26 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 2b5g n ILE 85 Cb 1.06 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 40.21 2b5g n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b5g n GLY 86 N -0.08 -0.23 3.74 3.28 0.00 0.14 -4.81 105.19 107.23 2b5g n GLY 86 Ca 0.00 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2b5g n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b5g s LYS 87 N 0.00 4.11 0.15 1.61 1.02 -1.26 -1.06 119.74 124.31 2b5g s LYS 87 Ca 0.00 2.61 0.07 0.00 0.02 0.00 0.00 55.97 58.67 2b5g s LYS 87 Cb 0.00 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2b5g s LYS 87 CO 0.00 -0.70 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.07 2b5g s LEU 88 N 0.30 2.44 -0.16 3.17 1.43 -0.09 -2.74 118.68 123.03 2b5g s LEU 88 Ca 0.69 -0.87 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2b5g s LEU 88 Cb -0.49 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2b5g s LEU 88 CO 0.41 -0.14 0.05 -0.22 0.23 0.00 0.00 176.35 176.68 2b5g s LEU 89 N -2.68 3.78 -0.17 1.79 2.96 -0.77 -1.17 118.68 122.42 2b5g s LEU 89 Ca 0.13 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2b5g s LEU 89 Cb -0.04 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 2b5g s LEU 89 CO 0.04 0.21 -0.12 -0.47 -1.32 0.00 0.00 176.35 174.70 2b5g s TYR 90 N 0.12 2.85 -0.43 5.38 5.04 0.61 -1.19 117.35 129.73 2b5g s TYR 90 Ca 0.04 -0.94 -0.19 0.00 -2.44 0.00 0.00 57.07 53.55 2b5g s TYR 90 Cb -0.12 -1.94 0.02 0.00 0.35 0.00 0.00 41.96 40.27 2b5g s TYR 90 CO 0.01 -0.45 0.51 -1.17 -1.34 0.00 0.00 175.55 173.12 2b5g s LEU 91 N 0.92 4.74 -0.06 6.97 2.96 -0.30 -1.50 118.68 132.40 2b5g s LEU 91 Ca -0.03 -0.57 -0.22 0.00 -0.22 0.00 0.00 54.13 53.10 2b5g s LEU 91 Cb -0.15 -2.51 -0.30 0.00 0.50 0.00 0.00 46.19 43.73 2b5g s LEU 91 CO -0.01 -0.66 0.85 -0.08 -1.32 0.00 0.00 176.35 175.13 2b5g h GLU 92 N 8.79 0.26 -3.05 1.98 4.57 -1.92 -3.40 114.58 121.81 2b5g h GLU 92 Ca -0.26 -0.45 -0.10 0.00 -1.18 0.00 0.00 59.36 57.37 2b5g h GLU 92 Cb 1.10 0.17 -0.19 0.00 -0.16 0.00 0.00 28.75 29.67 2b5g h GLU 92 CO 0.83 1.21 -0.23 -0.51 -1.18 0.00 0.00 179.01 179.14 2b5g s ASP 93 N -6.90 -0.20 -0.17 1.04 1.01 -1.26 -4.89 116.67 105.30 2b5g s ASP 93 Ca -0.15 0.04 -0.08 0.00 0.71 0.00 0.00 52.55 53.07 2b5g s ASP 93 Cb 0.01 0.34 0.07 0.00 1.01 0.00 0.00 42.92 44.35 2b5g s ASP 93 CO 0.81 -0.52 0.39 0.12 0.21 0.00 0.00 175.17 176.18 2b5g s PHE 94 N -1.74 -0.62 -0.22 4.23 5.36 -1.26 -4.26 117.98 119.48 2b5g s PHE 94 Ca -0.11 1.28 -0.17 0.00 -0.96 0.00 0.00 56.93 56.98 2b5g s PHE 94 Cb -0.03 0.24 0.06 0.00 -0.34 0.00 0.00 43.02 42.94 2b5g s PHE 94 CO 0.02 -0.37 0.57 0.12 -1.46 0.00 0.00 175.22 174.10 2b5g s PHE 95 N 1.76 -0.73 0.00 10.12 5.36 -0.69 -5.01 117.98 128.78 2b5g s PHE 95 Ca -0.07 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 2b5g s PHE 95 Cb -0.10 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 2b5g s PHE 95 CO -0.12 -0.37 0.00 0.28 -1.46 0.00 0.00 175.22 173.55 2b5g n VAL 96 N 3.44 0.00 -0.09 3.12 0.31 -1.26 -1.11 118.33 122.74 2b5g n VAL 96 Ca -0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.00 2b5g n VAL 96 Cb 0.57 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.42 2b5g n VAL 96 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2b5g n SER 98 N 0.00 1.85 0.00 4.52 7.64 -1.26 -4.82 113.62 121.55 2b5g n SER 98 Ca 0.00 0.49 0.06 0.00 1.01 0.00 0.00 58.87 60.43 2b5g n SER 98 Cb 0.00 -0.92 0.35 0.00 -1.01 0.00 0.00 64.21 62.62 2b5g n SER 98 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2b5g n ASP 99 N -4.49 0.00 -0.29 6.43 8.00 -1.26 -2.20 116.55 122.74 2b5g n ASP 99 Ca -0.25 -0.12 0.03 0.00 0.71 0.00 0.00 54.79 55.16 2b5g n ASP 99 Cb 0.55 -0.16 0.07 0.00 -0.02 0.00 0.00 41.12 41.56 2b5g n ASP 99 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2b5g n TYR 100 N -1.16 0.22 -2.51 1.24 4.01 -1.26 -4.99 117.16 112.71 2b5g n TYR 100 Ca 0.08 -0.51 -0.28 0.00 -0.16 0.00 0.00 57.90 57.03 2b5g n TYR 100 Cb 0.07 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.07 2b5g n TYR 100 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2b5g s ARG 101 N -1.03 3.41 0.00 -0.72 0.52 -0.93 -4.77 118.95 115.42 2b5g s ARG 101 Ca 0.11 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 2b5g s ARG 101 Cb 0.06 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.20 2b5g s ARG 101 CO 0.07 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.45 2b5g n GLY 102 N -2.38 2.10 0.00 -3.53 0.00 -1.26 -5.07 105.19 95.05 2b5g n GLY 102 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2b5g n GLY 102 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b5g n PHE 103 N 0.11 0.00 0.00 1.61 3.01 -1.26 -4.59 117.46 116.35 2b5g n PHE 103 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2b5g n PHE 103 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2b5g n PHE 103 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b5g n GLY 104 N 0.00 2.69 0.34 1.37 0.00 -1.26 -4.94 105.19 103.39 2b5g n GLY 104 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 2b5g n GLY 104 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2b5g h ILE 105 N 0.00 0.27 -0.42 -0.61 2.04 -1.86 0.51 117.51 117.43 2b5g h ILE 105 Ca 0.00 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.62 2b5g h ILE 105 Cb 0.00 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 2b5g h ILE 105 CO 0.00 0.03 0.09 1.23 0.00 0.00 0.00 178.15 179.50 2b5g h GLY 106 N -1.05 0.51 0.97 5.37 0.00 -1.92 0.33 103.07 107.29 2b5g h GLY 106 Ca -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2b5g h GLY 106 CO 0.14 -0.04 0.22 0.23 0.00 0.00 0.00 176.54 177.09 2b5g h SER 107 N 0.23 0.38 -0.07 0.19 0.87 -1.94 -1.60 113.55 111.60 2b5g h SER 107 Ca 0.21 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2b5g h SER 107 Cb 0.25 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2b5g h SER 107 CO -0.26 0.27 -0.16 -0.08 -0.53 0.00 0.00 176.83 176.07 2b5g h GLU 108 N 0.45 0.43 -0.44 2.24 4.57 0.85 -1.36 114.58 121.33 2b5g h GLU 108 Ca 0.13 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2b5g h GLU 108 Cb -0.04 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2b5g h GLU 108 CO -0.04 0.58 0.20 0.82 -1.18 0.00 0.00 179.01 179.39 2b5g h ILE 109 N 0.39 1.19 -0.66 2.32 2.04 0.10 -0.81 117.51 122.08 2b5g h ILE 109 Ca 0.07 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2b5g h ILE 109 Cb 0.51 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2b5g h ILE 109 CO 0.03 0.21 0.31 -0.07 0.00 0.00 0.00 178.15 178.63 2b5g h LEU 110 N 0.57 0.85 -0.65 1.44 -0.00 -0.83 0.55 115.31 117.23 2b5g h LEU 110 Ca 0.15 -0.09 -0.08 0.00 -0.00 0.00 0.00 57.88 57.86 2b5g h LEU 110 Cb 0.15 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.57 2b5g h LEU 110 CO -0.02 0.72 0.11 0.11 -0.00 0.00 0.00 178.44 179.36 2b5g h LYS 111 N 0.93 1.08 -0.27 1.13 1.57 -0.86 0.85 116.57 121.01 2b5g h LYS 111 Ca 0.23 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2b5g h LYS 111 Cb 0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2b5g h LYS 111 CO -0.03 1.00 0.03 -0.97 -0.57 0.00 0.00 179.45 178.91 2b5g h ASN 112 N 1.00 0.43 -0.75 0.86 -0.73 -0.60 -1.66 115.58 114.13 2b5g h ASN 112 Ca 0.20 -0.27 0.00 0.00 1.87 0.00 0.00 56.30 58.10 2b5g h ASN 112 Cb 0.44 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.87 2b5g h ASN 112 CO 0.01 0.60 0.49 -0.07 -0.37 0.00 0.00 177.43 178.09 2b5g h LEU 113 N 0.25 0.88 -1.15 0.34 3.38 -0.72 -1.28 115.31 117.02 2b5g h LEU 113 Ca 0.08 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2b5g h LEU 113 Cb 0.35 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2b5g h LEU 113 CO 0.01 0.64 0.16 0.28 0.09 0.00 0.00 178.44 179.62 2b5g h SER 114 N 1.03 0.70 -0.59 -0.43 0.02 -0.39 -0.94 113.55 112.94 2b5g h SER 114 Ca 0.28 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 2b5g h SER 114 Cb -0.10 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2b5g h SER 114 CO -0.06 0.67 -0.01 1.56 -1.14 0.00 0.00 176.83 177.84 2b5g h GLN 115 N 0.74 1.07 -0.47 3.45 4.20 -0.53 -2.41 115.11 121.16 2b5g h GLN 115 Ca 0.17 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2b5g h GLN 115 Cb 0.22 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2b5g h GLN 115 CO -0.01 1.05 0.29 0.28 -0.67 0.00 0.00 178.83 179.76 2b5g h VAL 116 N 0.97 1.15 0.00 -0.54 2.07 -0.65 -1.91 116.25 117.33 2b5g h VAL 116 Ca 0.17 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2b5g h VAL 116 Cb 0.58 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2b5g h VAL 116 CO 0.03 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.77 2b5g n ALA 117 N -2.25 1.53 0.00 1.67 0.00 -0.41 -1.82 120.51 119.23 2b5g n ALA 117 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2b5g n ALA 117 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2b5g n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b5g n ARG 119 N 0.90 0.00 0.00 0.00 5.12 -0.72 -1.14 116.66 120.82 2b5g n ARG 119 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 2b5g n ARG 119 Cb 0.04 0.00 0.61 0.00 -1.16 0.00 0.00 32.46 31.95 2b5g n ARG 119 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2b5g n ARG 121 N -1.37 -7.29 -2.78 0.00 1.74 -0.57 -4.93 116.66 101.45 2b5g n ARG 121 Ca 0.10 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.55 2b5g n ARG 121 Cb 0.31 -5.80 -0.03 0.00 -1.02 0.00 0.00 32.46 25.92 2b5g n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b5g n SER 123 N 4.52 0.52 0.00 0.00 3.41 -1.11 -4.92 113.62 116.04 2b5g n SER 123 Ca 0.06 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 2b5g n SER 123 Cb 0.50 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2b5g n SER 123 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2b5g n SER 124 N -1.03 0.60 -3.54 4.04 2.88 -1.26 -5.10 113.62 110.20 2b5g n SER 124 Ca 0.12 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.58 2b5g n SER 124 Cb 0.30 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 2b5g n SER 124 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2b5g s HIS 126 N -0.86 -0.30 0.01 0.66 3.76 -0.33 -1.85 115.29 116.38 2b5g s HIS 126 Ca 0.00 0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.92 2b5g s HIS 126 Cb 0.00 0.51 0.10 0.00 1.11 0.00 0.00 32.58 34.30 2b5g s HIS 126 CO 0.00 -0.41 1.06 -0.59 -0.85 0.00 0.00 174.74 173.95 2b5g s PHE 127 N -2.38 -0.17 0.08 1.40 -0.12 -1.26 -1.16 117.98 114.37 2b5g s PHE 127 Ca 0.04 -0.00 0.05 0.00 -0.05 0.00 0.00 56.93 56.97 2b5g s PHE 127 Cb -0.01 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 2b5g s PHE 127 CO -0.05 -0.51 -0.01 -0.51 -0.05 0.00 0.00 175.22 174.08 2b5g s LEU 128 N -2.69 3.43 -0.01 -1.99 1.43 -1.26 -5.06 118.68 112.53 2b5g s LEU 128 Ca 0.10 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2b5g s LEU 128 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2b5g s LEU 128 CO -0.03 0.19 -0.03 -0.69 0.23 0.00 0.00 176.35 176.01 2b5g s VAL 129 N -1.28 0.27 0.48 -1.59 1.01 -1.26 -5.07 120.40 112.95 2b5g s VAL 129 Ca 0.25 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2b5g s VAL 129 Cb -0.12 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.95 2b5g s VAL 129 CO 0.17 0.08 1.31 0.00 0.00 0.00 0.00 175.10 176.66 2b5g s ALA 130 N 0.03 3.03 0.28 5.51 0.00 -1.26 -4.91 121.76 124.44 2b5g s ALA 130 Ca 0.00 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.22 2b5g s ALA 130 Cb -0.03 -3.51 0.66 0.00 0.00 0.00 0.00 23.12 20.24 2b5g s ALA 130 CO -0.00 -1.03 1.74 0.93 0.00 0.00 0.00 175.76 177.39 2b5g h GLU 131 N 2.04 0.54 -0.32 0.00 4.39 -2.05 -1.80 114.58 117.39 2b5g h GLU 131 Ca -0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2b5g h GLU 131 Cb 1.27 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2b5g h GLU 131 CO 0.60 0.36 0.00 -2.67 -1.16 0.00 0.00 179.01 176.14 2b5g n TRP 132 N -4.92 0.41 -2.10 4.33 2.14 -1.26 -4.74 117.44 111.30 2b5g n TRP 132 Ca 0.20 -0.20 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2b5g n TRP 132 Cb 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.06 2b5g n TRP 132 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2b5g n ASN 133 N 0.92 4.56 -0.19 -0.67 4.05 -0.68 -4.76 115.26 118.49 2b5g n ASN 133 Ca 0.18 -2.98 0.01 0.00 0.45 0.00 0.00 54.58 52.24 2b5g n ASN 133 Cb 0.46 -1.57 0.27 0.00 1.23 0.00 0.00 39.78 40.17 2b5g n ASN 133 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2b5g h GLU 134 N 5.95 0.92 -0.46 1.20 4.39 -1.86 0.39 114.58 125.11 2b5g h GLU 134 Ca 0.47 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 60.14 2b5g h GLU 134 Cb 0.65 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2b5g h GLU 134 CO 1.73 0.61 0.27 -1.35 -1.16 0.00 0.00 179.01 179.10 2b5g h PRO 135 N 0.95 0.52 -0.17 2.33 0.11 -1.99 0.82 132.00 134.56 2b5g h PRO 135 Ca 0.26 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 66.13 2b5g h PRO 135 Cb -0.09 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 30.92 2b5g h PRO 135 CO -0.06 0.34 -0.71 0.77 -0.21 0.00 0.00 178.00 178.13 2b5g h SER 136 N 0.53 0.92 -0.51 -2.05 0.02 -1.85 -1.63 113.55 108.98 2b5g h SER 136 Ca 0.19 -0.61 0.05 0.00 -0.84 0.00 0.00 61.79 60.57 2b5g h SER 136 Cb 0.03 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.25 2b5g h SER 136 CO -0.09 1.38 0.24 0.40 -1.14 0.00 0.00 176.83 177.62 2b5g h ILE 137 N 0.52 0.92 -0.38 3.27 2.04 -0.55 0.82 117.51 124.16 2b5g h ILE 137 Ca -0.04 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 2b5g h ILE 137 Cb 1.34 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2b5g h ILE 137 CO 0.15 0.09 -0.32 0.78 0.00 0.00 0.00 178.15 178.84 2b5g h ASN 138 N 0.47 0.93 -0.38 1.72 2.35 -0.87 0.70 115.58 120.50 2b5g h ASN 138 Ca 0.23 -0.45 0.03 0.00 -0.55 0.00 0.00 56.30 55.57 2b5g h ASN 138 Cb 0.17 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 2b5g h ASN 138 CO -0.18 1.19 0.17 0.15 -1.65 0.00 0.00 177.43 177.11 2b5g h PHE 139 N 0.69 0.31 -0.20 1.19 3.04 -0.72 0.15 116.94 121.39 2b5g h PHE 139 Ca 0.07 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.87 2b5g h PHE 139 Cb 0.90 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.34 2b5g h PHE 139 CO 0.06 0.15 -0.53 1.88 -2.02 0.00 0.00 178.31 177.86 2b5g h TYR 140 N 0.35 0.92 -0.23 0.41 0.05 -0.77 -3.15 116.97 114.55 2b5g h TYR 140 Ca 0.17 -0.36 -0.03 0.00 0.05 0.00 0.00 58.73 58.56 2b5g h TYR 140 Cb 0.10 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2b5g h TYR 140 CO -0.12 1.15 0.00 0.87 -1.05 0.00 0.00 178.16 179.02 2b5g h LYS 141 N 0.43 0.34 0.00 4.88 1.57 -0.62 -1.25 116.57 121.91 2b5g h LYS 141 Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2b5g h LYS 141 Cb 1.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2b5g h LYS 141 CO 0.11 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 2b5g h ARG 142 N 0.33 0.00 -0.46 3.15 3.08 -0.92 -1.64 114.38 117.92 2b5g h ARG 142 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2b5g h ARG 142 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2b5g h ARG 142 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 2b5g n ARG 143 N -2.91 2.50 0.00 0.04 1.74 -0.58 -4.95 116.66 112.51 2b5g n ARG 143 Ca -0.01 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 2b5g n ARG 143 Cb 0.17 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2b5g n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b5g n GLY 144 N 1.40 0.71 3.74 -0.13 0.00 -0.62 -5.08 105.19 105.22 2b5g n GLY 144 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2b5g n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b5g s ALA 145 N -2.00 2.48 0.08 4.61 0.00 -0.59 -4.98 121.76 121.37 2b5g s ALA 145 Ca 0.00 1.13 0.07 0.00 0.00 0.00 0.00 51.96 53.16 2b5g s ALA 145 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2b5g s ALA 145 CO 0.00 -1.38 -0.20 -1.54 0.00 0.00 0.00 175.76 172.64 2b5g s SER 146 N -1.46 2.39 -0.52 0.00 1.04 -1.26 -4.61 113.70 109.28 2b5g s SER 146 Ca 0.80 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 56.38 2b5g s SER 146 Cb -0.34 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 65.67 2b5g s SER 146 CO 0.37 0.08 0.82 -0.62 0.98 0.00 0.00 173.24 174.86 2b5g s ASP 147 N -1.64 6.32 0.31 7.02 -1.08 -1.26 -4.90 116.67 121.45 2b5g s ASP 147 Ca 0.06 -0.46 0.15 0.00 -0.52 0.00 0.00 52.55 51.78 2b5g s ASP 147 Cb -0.10 -2.38 0.41 0.00 -1.46 0.00 0.00 42.92 39.39 2b5g s ASP 147 CO 0.03 -1.07 1.61 -0.07 0.52 0.00 0.00 175.17 176.19 2b5g h LEU 148 N 10.44 0.00 -1.17 -1.34 3.38 -1.97 -0.10 115.31 124.56 2b5g h LEU 148 Ca -0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 2b5g h LEU 148 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2b5g h LEU 148 CO 1.03 0.50 -0.20 0.28 0.09 0.00 0.00 178.44 180.14 2b5g h SER 149 N 0.00 0.32 0.00 -0.43 0.02 -1.91 0.10 113.55 111.66 2b5g h SER 149 Ca -0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2b5g h SER 149 Cb 1.12 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2b5g h SER 149 CO 0.07 0.54 -0.05 0.28 -1.14 0.00 0.00 176.83 176.52 2b5g h SER 150 N 0.30 0.00 -0.58 3.07 0.02 -1.85 -2.57 113.55 111.96 2b5g h SER 150 Ca 0.05 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 2b5g h SER 150 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2b5g h SER 150 CO 0.04 0.76 0.27 -0.33 -1.14 0.00 0.00 176.83 176.43 2b5g h GLU 151 N -1.00 0.83 -0.09 3.45 4.39 -1.00 -3.26 114.58 117.91 2b5g h GLU 151 Ca -0.01 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2b5g h GLU 151 Cb 0.51 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2b5g h GLU 151 CO -0.01 0.69 0.00 0.39 -1.16 0.00 0.00 179.01 178.92 2b5g n GLU 152 N -4.53 1.04 -1.12 2.33 1.02 0.00 -5.00 120.64 114.38 2b5g n GLU 152 Ca 0.03 -1.33 -0.04 0.00 -0.02 0.00 0.00 57.16 55.80 2b5g n GLU 152 Cb 0.13 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 2b5g n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b5g n GLY 153 N 0.52 0.60 3.77 0.62 0.00 -0.97 -4.99 105.19 104.74 2b5g n GLY 153 Ca 0.07 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2b5g n GLY 153 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b5g s TRP 154 N -1.82 2.87 -0.04 1.61 0.52 -1.23 -4.96 118.94 115.90 2b5g s TRP 154 Ca 0.00 1.42 0.03 0.00 0.02 0.00 0.00 56.10 57.57 2b5g s TRP 154 Cb 0.00 -3.66 0.00 0.00 -1.15 0.00 0.00 33.47 28.66 2b5g s TRP 154 CO 0.00 -2.00 -0.14 1.03 0.02 0.00 0.00 176.95 175.86 2b5g s ARG 155 N -2.16 1.55 -0.15 4.98 1.81 -1.26 -4.49 118.95 119.22 2b5g s ARG 155 Ca 0.55 -0.49 -0.27 0.00 -1.72 0.00 0.00 55.73 53.80 2b5g s ARG 155 Cb -0.38 -1.35 -0.01 0.00 -0.45 0.00 0.00 34.95 32.76 2b5g s ARG 155 CO 0.49 0.17 0.90 -1.17 -0.68 0.00 0.00 175.30 175.01 2b5g s LEU 156 N 0.20 4.19 0.22 2.53 2.96 -1.26 -5.04 118.68 122.48 2b5g s LEU 156 Ca -0.06 1.30 0.08 0.00 -0.22 0.00 0.00 54.13 55.24 2b5g s LEU 156 Cb -0.11 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 2b5g s LEU 156 CO 0.02 -0.43 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.25 2b5g s PHE 157 N 2.16 2.76 -0.00 5.38 0.40 -1.26 -5.14 117.98 122.27 2b5g s PHE 157 Ca 0.42 -0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.53 2b5g s PHE 157 Cb -0.17 -1.29 -0.00 0.00 0.51 0.00 0.00 43.02 42.07 2b5g s PHE 157 CO 0.14 0.56 0.05 -1.59 0.70 0.00 0.00 175.22 175.08 2b5g s LYS 158 N -3.28 0.29 -0.21 0.44 -2.85 -1.26 -5.12 119.74 107.75 2b5g s LYS 158 Ca 0.29 -0.31 0.01 0.00 -1.00 0.00 0.00 55.97 54.95 2b5g s LYS 158 Cb -0.08 0.11 0.05 0.00 -2.06 0.00 0.00 37.83 35.85 2b5g s LYS 158 CO 0.19 -0.06 -0.08 0.42 0.10 0.00 0.00 175.35 175.93 2b5g s ILE 159 N -0.94 1.52 0.83 3.79 1.01 -1.26 -5.13 121.20 121.02 2b5g s ILE 159 Ca -0.10 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.39 2b5g s ILE 159 Cb -0.06 -1.68 0.09 0.00 0.01 0.00 0.00 42.46 40.81 2b5g s ILE 159 CO 0.00 0.06 1.12 -1.81 0.00 0.00 0.00 174.94 174.30 2b5g s ASP 160 N 1.43 4.26 0.30 3.58 1.01 -1.26 -4.73 116.67 121.26 2b5g s ASP 160 Ca -0.03 1.14 0.05 0.00 0.71 0.00 0.00 52.55 54.42 2b5g s ASP 160 Cb -0.17 -1.80 0.76 0.00 1.01 0.00 0.00 42.92 42.71 2b5g s ASP 160 CO -0.07 -2.09 1.69 0.07 0.21 0.00 0.00 175.17 174.98 2b5g h LYS 161 N -1.18 0.39 -0.51 8.23 2.10 -2.00 -0.93 116.57 122.67 2b5g h LYS 161 Ca -0.48 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.18 2b5g h LYS 161 Cb 1.29 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 32.51 2b5g h LYS 161 CO 0.61 0.26 0.34 1.05 -2.00 0.00 0.00 179.45 179.71 2b5g h GLU 162 N 0.40 0.57 0.02 0.07 4.11 -1.99 0.13 114.58 117.89 2b5g h GLU 162 Ca 0.58 -0.03 -0.23 0.00 0.07 0.00 0.00 59.36 59.74 2b5g h GLU 162 Cb 1.11 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2b5g h GLU 162 CO -0.53 0.38 -1.11 1.88 0.07 0.00 0.00 179.01 179.70 2b5g h TYR 163 N 0.59 0.08 -0.47 2.06 0.05 -1.55 -2.78 116.97 114.95 2b5g h TYR 163 Ca 0.20 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.83 2b5g h TYR 163 Cb 0.08 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2b5g h TYR 163 CO -0.00 1.05 -0.08 -0.07 -1.05 0.00 0.00 178.16 178.02 2b5g h LEU 164 N 0.01 0.88 -0.63 3.88 3.38 -0.69 -2.77 115.31 119.37 2b5g h LEU 164 Ca -0.06 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.61 2b5g h LEU 164 Cb 1.82 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 42.29 2b5g h LEU 164 CO 0.14 1.02 0.36 -0.07 0.09 0.00 0.00 178.44 179.98 2b5g h LEU 165 N 0.73 0.56 -1.22 1.67 3.38 -0.77 0.66 115.31 120.31 2b5g h LEU 165 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2b5g h LEU 165 Cb 0.61 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2b5g h LEU 165 CO 0.04 0.38 0.00 0.29 0.09 0.00 0.00 178.44 179.24 2b5g n LYS 166 N -4.77 0.00 0.00 1.13 5.02 -1.05 -1.53 118.16 116.96 2b5g n LYS 166 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2b5g n LYS 166 Cb 0.13 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2b5g n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b5g n ALA 168 N 0.55 0.00 1.20 7.82 0.00 0.22 -0.98 120.51 129.32 2b5g n ALA 168 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2b5g n ALA 168 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 2b5g n ALA 168 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2b5g n THR 169 N 0.00 0.00 -0.68 0.00 -2.24 -0.58 -5.23 114.28 105.54 2b5g n THR 169 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2b5g n THR 169 Cb 0.00 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2b5g n THR 169 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88