#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2g s LEU 2 N 0.00 3.56 -0.12 4.03 2.96 -1.26 0.22 118.68 128.06 1w2g s LEU 2 Ca 0.00 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1w2g s LEU 2 Cb 0.00 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1w2g s LEU 2 CO 0.00 0.00 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.24 1w2g s ILE 3 N 1.41 1.63 -0.20 6.68 1.01 0.13 -0.99 121.20 130.86 1w2g s ILE 3 Ca 0.06 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 1w2g s ILE 3 Cb -0.15 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 1w2g s ILE 3 CO 0.04 0.47 0.02 0.00 0.00 0.00 0.00 174.94 175.47 1w2g s ALA 4 N 1.07 3.12 -0.21 9.38 0.00 -0.29 0.19 121.76 135.02 1w2g s ALA 4 Ca -0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 1w2g s ALA 4 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1w2g s ALA 4 CO -0.04 -0.10 0.32 0.42 0.00 0.00 0.00 175.76 176.36 1w2g s ILE 5 N 0.91 5.25 0.30 0.00 -1.09 0.64 -0.44 121.20 126.77 1w2g s ILE 5 Ca 0.02 0.55 0.10 0.00 -2.23 0.00 0.00 60.65 59.09 1w2g s ILE 5 Cb -0.14 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1w2g s ILE 5 CO 0.02 0.28 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.26 1w2g s GLU 6 N 1.21 1.70 0.00 2.79 0.41 0.39 -0.86 118.70 124.34 1w2g s GLU 6 Ca 0.16 -1.83 0.00 0.00 -0.41 0.00 0.00 54.97 52.89 1w2g s GLU 6 Cb -0.14 -1.65 0.00 0.00 -1.78 0.00 0.00 34.13 30.56 1w2g s GLU 6 CO 0.07 0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 1w2g n GLY 7 N -0.67 2.68 3.80 -1.39 0.00 -1.26 -1.20 105.19 107.16 1w2g n GLY 7 Ca -0.05 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1w2g n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1w2g s VAL 8 N -2.00 2.04 0.23 1.61 -7.23 -1.26 -4.92 120.40 108.86 1w2g s VAL 8 Ca 0.00 0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 59.88 1w2g s VAL 8 Cb 0.00 -2.79 -0.11 0.00 0.56 0.00 0.00 36.38 34.04 1w2g s VAL 8 CO 0.00 -0.02 1.54 -1.81 -0.31 0.00 0.00 175.10 174.51 1w2g s ASP 9 N -4.09 6.54 0.00 4.85 1.01 -1.26 -2.08 116.67 121.64 1w2g s ASP 9 Ca 0.63 2.74 0.00 0.00 0.71 0.00 0.00 52.55 56.63 1w2g s ASP 9 Cb -0.14 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1w2g s ASP 9 CO 0.53 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.70 1w2g n GLY 10 N 2.85 0.68 0.11 0.21 0.00 -1.26 -4.48 105.19 103.29 1w2g n GLY 10 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1w2g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2g n ALA 11 N 0.10 1.89 -2.29 4.61 0.00 -0.88 -4.38 120.51 119.55 1w2g n ALA 11 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1w2g n ALA 11 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1w2g n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w2g n GLY 12 N 0.48 0.81 0.26 0.00 0.00 -1.26 -4.95 105.19 100.53 1w2g n GLY 12 Ca 0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1w2g n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2g h LYS 13 N 0.00 0.76 -0.19 1.61 1.57 -1.91 -3.07 116.57 115.35 1w2g h LYS 13 Ca 0.00 -0.34 0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1w2g h LYS 13 Cb 0.97 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 1w2g h LYS 13 CO 0.00 0.96 -0.09 0.00 -0.57 0.00 0.00 179.45 179.74 1w2g h ARG 14 N 0.65 -0.07 -0.12 3.15 3.08 -1.99 0.06 114.38 119.14 1w2g h ARG 14 Ca 0.08 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.18 1w2g h ARG 14 Cb 0.81 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.82 1w2g h ARG 14 CO 0.07 -0.05 -0.34 1.15 -1.07 0.00 0.00 179.97 179.73 1w2g h THR 15 N -0.07 0.26 -0.91 2.04 2.02 -1.96 0.12 112.91 114.40 1w2g h THR 15 Ca 0.10 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.39 1w2g h THR 15 Cb 0.22 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 66.81 1w2g h THR 15 CO -0.23 0.00 0.54 0.25 0.37 0.00 0.00 175.52 176.45 1w2g h LEU 16 N -0.42 0.77 -0.18 2.58 5.85 -1.36 0.81 115.31 123.36 1w2g h LEU 16 Ca 0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1w2g h LEU 16 Cb 0.57 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1w2g h LEU 16 CO -0.36 0.41 0.11 0.58 -0.34 0.00 0.00 178.44 178.85 1w2g h VAL 17 N 0.86 1.08 0.56 1.05 2.07 0.55 0.83 116.25 123.25 1w2g h VAL 17 Ca 0.45 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.75 1w2g h VAL 17 Cb 0.46 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1w2g h VAL 17 CO -0.27 0.08 -0.28 -0.33 0.02 0.00 0.00 177.57 176.78 1w2g h GLU 18 N 0.21 -0.74 -0.49 1.57 3.07 0.41 0.40 114.58 119.01 1w2g h GLU 18 Ca 0.07 0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1w2g h GLU 18 Cb 0.03 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 1w2g h GLU 18 CO -0.01 -0.50 0.32 0.87 -1.40 0.00 0.00 179.01 178.30 1w2g h LYS 19 N -0.77 0.53 -0.17 2.33 1.57 -0.84 -1.35 116.57 117.88 1w2g h LYS 19 Ca -0.07 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.47 1w2g h LYS 19 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1w2g h LYS 19 CO 0.11 0.35 -0.71 1.25 -0.57 0.00 0.00 179.45 179.88 1w2g h LEU 20 N 0.55 0.83 -0.18 2.94 5.85 -0.59 -2.42 115.31 122.28 1w2g h LEU 20 Ca 0.20 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1w2g h LEU 20 Cb 0.11 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1w2g h LEU 20 CO -0.05 1.30 0.08 0.28 -0.34 0.00 0.00 178.44 179.71 1w2g h SER 21 N 0.50 0.11 0.07 1.25 0.02 -0.04 -1.61 113.55 113.87 1w2g h SER 21 Ca -0.03 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1w2g h SER 21 Cb 1.32 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 1w2g h SER 21 CO 0.14 0.09 -0.19 1.23 -1.14 0.00 0.00 176.83 176.96 1w2g h GLY 22 N 0.18 -0.32 1.03 -3.77 0.00 -1.24 -1.31 103.07 97.63 1w2g h GLY 22 Ca 0.08 0.22 0.10 0.00 0.00 0.00 0.00 47.33 47.73 1w2g h GLY 22 CO -0.06 -0.18 0.41 0.00 0.00 0.00 0.00 176.54 176.71 1w2g h ALA 23 N 0.50 2.02 -0.08 3.60 0.00 -1.21 0.59 119.26 124.68 1w2g h ALA 23 Ca 0.04 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1w2g h ALA 23 Cb 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1w2g h ALA 23 CO -0.13 -0.15 -0.85 0.74 0.00 0.00 0.00 179.25 178.86 1w2g h PHE 24 N 0.41 0.90 -0.45 0.00 0.05 -0.84 -2.78 116.94 114.22 1w2g h PHE 24 Ca 0.28 -0.43 -0.11 0.00 3.82 0.00 0.00 57.97 61.53 1w2g h PHE 24 Cb 0.55 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.37 1w2g h PHE 24 CO -0.00 1.25 -0.16 0.00 -0.18 0.00 0.00 178.31 179.21 1w2g h ARG 25 N 0.41 0.91 0.00 1.51 3.08 -0.21 0.24 114.38 120.32 1w2g h ARG 25 Ca -0.07 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 1w2g h ARG 25 Cb 1.48 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 1w2g h ARG 25 CO 0.16 1.03 -0.07 0.00 -1.07 0.00 0.00 179.97 180.02 1w2g h ALA 26 N 0.86 1.83 -0.12 0.04 0.00 -0.95 0.19 119.26 121.11 1w2g h ALA 26 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1w2g h ALA 26 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1w2g h ALA 26 CO 0.06 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1w2g n ALA 27 N -2.51 2.53 -0.74 0.00 0.00 -0.96 -4.89 120.51 113.94 1w2g n ALA 27 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1w2g n ALA 27 Cb 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1w2g n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w2g n GLY 28 N 0.88 0.60 3.69 0.00 0.00 0.67 -5.06 105.19 105.96 1w2g n GLY 28 Ca 0.11 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1w2g n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2g s ARG 29 N -0.67 3.32 0.29 1.61 0.52 0.03 -4.99 118.95 119.08 1w2g s ARG 29 Ca 0.00 -0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 54.57 1w2g s ARG 29 Cb 0.00 -2.96 -0.09 0.00 0.52 0.00 0.00 34.95 32.42 1w2g s ARG 29 CO 0.00 0.59 0.99 -1.54 0.02 0.00 0.00 175.30 175.36 1w2g s SER 30 N -0.55 7.35 0.01 0.23 1.04 -1.26 -3.25 113.70 117.27 1w2g s SER 30 Ca 0.10 2.01 0.02 0.00 0.48 0.00 0.00 55.95 58.56 1w2g s SER 30 Cb -0.12 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 1w2g s SER 30 CO 0.02 -0.06 -0.07 -0.69 0.98 0.00 0.00 173.24 173.41 1w2g s VAL 31 N -1.36 0.57 -0.01 5.02 1.01 -1.26 -0.94 120.40 123.43 1w2g s VAL 31 Ca 0.47 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1w2g s VAL 31 Cb -0.25 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 1w2g s VAL 31 CO 0.31 0.02 -0.05 0.00 0.00 0.00 0.00 175.10 175.38 1w2g s ALA 32 N -0.47 0.43 0.19 5.51 0.00 -0.75 -5.00 121.76 121.67 1w2g s ALA 32 Ca -0.00 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 51.85 1w2g s ALA 32 Cb -0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1w2g s ALA 32 CO 0.00 0.10 -0.21 0.95 0.00 0.00 0.00 175.76 176.60 1w2g s THR 33 N -0.06 2.10 -0.11 0.00 -4.23 -1.26 -0.72 115.64 111.35 1w2g s THR 33 Ca 0.01 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.43 1w2g s THR 33 Cb -0.03 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.85 1w2g s THR 33 CO -0.00 -0.25 0.27 -0.22 -0.54 0.00 0.00 174.62 173.88 1w2g s LEU 34 N -2.77 0.44 -0.07 4.79 2.96 -0.20 -4.95 118.68 118.88 1w2g s LEU 34 Ca 0.19 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 1w2g s LEU 34 Cb -0.06 0.86 -0.03 0.00 0.50 0.00 0.00 46.19 47.45 1w2g s LEU 34 CO 0.09 -0.16 -0.02 0.00 -1.32 0.00 0.00 176.35 174.94 1w2g s ALA 35 N 1.08 3.21 -0.01 5.97 0.00 -1.26 -0.82 121.76 129.92 1w2g s ALA 35 Ca -0.08 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1w2g s ALA 35 Cb -0.09 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1w2g s ALA 35 CO -0.08 0.59 -0.20 -0.06 0.00 0.00 0.00 175.76 176.01 1w2g s PHE 36 N -0.89 2.50 0.57 0.00 0.08 -0.35 -3.67 117.98 116.24 1w2g s PHE 36 Ca 0.14 -0.30 -0.19 0.00 0.12 0.00 0.00 56.93 56.70 1w2g s PHE 36 Cb -0.11 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1w2g s PHE 36 CO 0.03 0.11 1.16 -2.14 -0.10 0.00 0.00 175.22 174.29 1w2g s PRO 37 N -0.88 3.15 -1.37 0.24 0.02 -1.26 -4.64 135.00 130.26 1w2g s PRO 37 Ca 0.12 1.70 -0.14 0.00 0.02 0.00 0.00 61.00 62.70 1w2g s PRO 37 Cb -0.10 -1.97 0.08 0.00 0.02 0.00 0.00 34.50 32.53 1w2g s PRO 37 CO 0.01 -1.03 1.99 0.54 -0.33 0.00 0.00 177.00 178.18 1w2g n ARG 38 N -1.49 3.12 -1.67 5.54 1.74 -1.24 -4.96 116.66 117.69 1w2g n ARG 38 Ca 0.12 -3.03 -0.44 0.00 -0.77 0.00 0.00 57.85 53.74 1w2g n ARG 38 Cb 0.50 -3.25 -0.02 0.00 -1.02 0.00 0.00 32.46 28.68 1w2g n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1w2g n TYR 39 N 6.16 2.05 -0.02 -1.55 0.53 -1.26 -1.17 117.16 121.90 1w2g n TYR 39 Ca 0.48 0.54 0.00 0.00 -1.02 0.00 0.00 57.90 57.90 1w2g n TYR 39 Cb 0.40 -2.40 0.00 0.00 -1.03 0.00 0.00 39.34 36.31 1w2g n TYR 39 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1w2g n GLY 40 N 1.32 2.48 0.10 2.72 0.00 -1.26 -4.72 105.19 105.82 1w2g n GLY 40 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1w2g n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1w2g n GLN 41 N -2.00 0.27 -3.67 1.61 1.13 -0.32 -4.99 117.38 109.41 1w2g n GLN 41 Ca 0.00 -0.89 -0.08 0.00 -1.94 0.00 0.00 57.00 54.09 1w2g n GLN 41 Cb 0.00 -1.05 -0.09 0.00 0.11 0.00 0.00 30.24 29.22 1w2g n GLN 41 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1w2g s SER 42 N -0.40 -0.67 0.22 1.08 0.15 -1.04 -5.02 113.70 108.01 1w2g s SER 42 Ca 0.03 1.15 -0.03 0.00 0.70 0.00 0.00 55.95 57.81 1w2g s SER 42 Cb 0.02 1.15 0.19 0.00 -1.71 0.00 0.00 66.02 65.67 1w2g s SER 42 CO 0.03 -0.22 1.60 0.58 1.20 0.00 0.00 173.24 176.43 1w2g h VAL 43 N 5.48 1.29 -1.00 4.45 2.07 -1.94 -1.43 116.25 125.17 1w2g h VAL 43 Ca -0.31 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 65.77 1w2g h VAL 43 Cb 1.18 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 1w2g h VAL 43 CO 0.22 0.48 0.65 0.00 0.02 0.00 0.00 177.57 178.94 1w2g h ALA 44 N 1.07 1.34 -0.24 1.67 0.00 -1.95 0.50 119.26 121.64 1w2g h ALA 44 Ca 0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1w2g h ALA 44 Cb 0.84 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1w2g h ALA 44 CO 0.07 0.57 -0.42 0.00 0.00 0.00 0.00 179.25 179.47 1w2g h ALA 45 N 1.41 0.38 -0.46 0.00 0.00 -1.74 -2.11 119.26 116.74 1w2g h ALA 45 Ca 0.39 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1w2g h ALA 45 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1w2g h ALA 45 CO -0.11 0.50 0.05 -0.44 0.00 0.00 0.00 179.25 179.24 1w2g h ASP 46 N 0.44 0.75 -0.67 0.00 3.45 -0.81 -0.85 116.42 118.73 1w2g h ASP 46 Ca 0.02 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.14 1w2g h ASP 46 Cb 1.02 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.56 1w2g h ASP 46 CO 0.10 0.84 0.21 0.40 -1.57 0.00 0.00 179.24 179.21 1w2g h ILE 47 N 0.64 1.25 -0.66 0.35 2.04 -0.96 -1.46 117.51 118.72 1w2g h ILE 47 Ca 0.14 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1w2g h ILE 47 Cb 0.43 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1w2g h ILE 47 CO 0.01 0.34 0.41 0.00 0.00 0.00 0.00 178.15 178.91 1w2g h ALA 48 N 1.09 0.84 -0.47 1.87 0.00 -1.10 -0.15 119.26 121.34 1w2g h ALA 48 Ca 0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1w2g h ALA 48 Cb 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1w2g h ALA 48 CO -0.01 0.30 -0.02 0.00 0.00 0.00 0.00 179.25 179.52 1w2g h ALA 49 N 1.22 0.63 -0.14 0.00 0.00 -0.89 -2.53 119.26 117.55 1w2g h ALA 49 Ca 0.24 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1w2g h ALA 49 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1w2g h ALA 49 CO -0.05 0.45 -0.33 0.93 0.00 0.00 0.00 179.25 180.25 1w2g h GLU 50 N 0.68 0.28 -0.17 0.00 5.08 -1.02 -2.54 114.58 116.89 1w2g h GLU 50 Ca 0.13 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1w2g h GLU 50 Cb 0.53 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1w2g h GLU 50 CO 0.03 0.58 -0.27 0.00 -1.00 0.00 0.00 179.01 178.35 1w2g h ALA 51 N 1.42 1.24 0.00 3.43 0.00 -0.84 -1.05 119.26 123.46 1w2g h ALA 51 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1w2g h ALA 51 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1w2g h ALA 51 CO 0.05 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1w2g n LEU 52 N -4.14 0.00 -1.12 0.00 4.77 -0.96 -1.57 117.00 113.98 1w2g n LEU 52 Ca -0.01 0.40 0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1w2g n LEU 52 Cb 0.38 -0.40 0.27 0.00 -2.33 0.00 0.00 43.42 41.35 1w2g n LEU 52 CO 0.40 -0.15 0.73 1.41 -1.33 0.00 0.00 177.39 178.45 1w2g n HIS 53 N -1.40 1.04 -0.27 -1.77 8.25 -0.49 -0.06 115.22 120.54 1w2g n HIS 53 Ca 0.06 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 1w2g n HIS 53 Cb 0.18 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1w2g n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w2g n GLY 54 N 0.48 0.78 3.92 -1.41 0.00 -0.61 -5.01 105.19 103.34 1w2g n GLY 54 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1w2g n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w2g s GLU 55 N -0.64 1.96 -1.07 1.61 2.02 -0.67 -4.50 118.70 117.41 1w2g s GLU 55 Ca 0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 1w2g s GLU 55 Cb 0.00 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1w2g s GLU 55 CO 0.00 -1.48 0.91 0.72 0.02 0.00 0.00 175.26 175.44 1w2g n HIS 56 N -3.14 -2.11 0.00 1.61 8.25 -1.26 -4.17 115.22 114.40 1w2g n HIS 56 Ca 0.09 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 1w2g n HIS 56 Cb 0.61 -4.52 0.00 0.00 1.12 0.00 0.00 29.99 27.20 1w2g n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w2g n GLY 57 N -1.41 3.11 0.50 -1.41 0.00 -1.26 -1.90 105.19 102.82 1w2g n GLY 57 Ca -0.13 0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1w2g n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1w2g n ASP 58 N 3.75 1.37 0.07 1.61 5.68 -1.26 -4.50 116.55 123.27 1w2g n ASP 58 Ca 0.00 -2.06 -0.15 0.00 -0.50 0.00 0.00 54.79 52.08 1w2g n ASP 58 Cb 0.00 -0.24 -0.08 0.00 -1.14 0.00 0.00 41.12 39.66 1w2g n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1w2g h LEU 59 N 1.15 -1.47 -2.63 -2.12 6.46 -1.66 -2.34 115.31 112.70 1w2g h LEU 59 Ca 0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1w2g h LEU 59 Cb 0.43 0.56 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1w2g h LEU 59 CO 0.03 -0.50 0.00 0.00 -0.62 0.00 0.00 178.44 177.35 1w2g h ALA 60 N -0.26 1.00 0.00 1.25 0.00 -1.80 -2.51 119.26 116.94 1w2g h ALA 60 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1w2g h ALA 60 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1w2g h ALA 60 CO -0.33 0.00 -0.10 0.66 0.00 0.00 0.00 179.25 179.48 1w2g h SER 61 N 0.00 0.00 -3.63 0.00 4.64 -1.74 -3.41 113.55 109.41 1w2g h SER 61 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1w2g h SER 61 Cb 0.05 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.99 1w2g h SER 61 CO 0.00 0.10 -0.11 -0.55 -0.87 0.00 0.00 176.83 175.40 1w2g s SER 62 N -5.91 6.31 0.12 4.97 0.15 -0.95 -4.96 113.70 113.42 1w2g s SER 62 Ca -0.00 0.09 -0.18 0.00 0.70 0.00 0.00 55.95 56.55 1w2g s SER 62 Cb 0.11 -2.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 1w2g s SER 62 CO 0.57 -0.38 1.70 0.58 1.20 0.00 0.00 173.24 176.91 1w2g h VAL 63 N 5.53 1.14 0.00 4.45 2.07 -1.87 -2.54 116.25 125.02 1w2g h VAL 63 Ca -0.29 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 1w2g h VAL 63 Cb 1.14 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1w2g h VAL 63 CO 0.73 0.14 -0.36 1.88 0.02 0.00 0.00 177.57 179.98 1w2g h TYR 64 N 0.32 0.00 -0.21 1.57 -1.99 -1.96 -1.91 116.97 112.79 1w2g h TYR 64 Ca 0.10 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.75 1w2g h TYR 64 Cb 0.10 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.82 1w2g h TYR 64 CO -0.02 0.36 -0.16 0.00 -0.00 0.00 0.00 178.16 178.33 1w2g h ALA 65 N 1.64 0.30 -0.53 3.88 0.00 -1.85 -0.55 119.26 122.15 1w2g h ALA 65 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1w2g h ALA 65 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1w2g h ALA 65 CO 0.05 0.20 0.18 0.52 0.00 0.00 0.00 179.25 180.19 1w2g h MET 66 N 0.16 0.82 -0.87 0.00 2.86 -1.34 -1.13 114.93 115.43 1w2g h MET 66 Ca 0.04 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1w2g h MET 66 Cb 0.69 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1w2g h MET 66 CO 0.04 0.74 0.46 0.00 1.06 0.00 0.00 176.91 179.22 1w2g h ALA 67 N 1.04 1.18 -0.32 6.32 0.00 -1.30 -2.16 119.26 124.01 1w2g h ALA 67 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1w2g h ALA 67 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1w2g h ALA 67 CO -0.01 0.65 0.16 1.15 0.00 0.00 0.00 179.25 181.20 1w2g h THR 68 N 1.22 1.16 -0.45 0.00 2.02 -0.64 0.05 112.91 116.26 1w2g h THR 68 Ca 0.30 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1w2g h THR 68 Cb 0.05 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1w2g h THR 68 CO -0.05 0.16 0.23 -0.07 0.37 0.00 0.00 175.52 176.17 1w2g h LEU 69 N 0.39 0.34 -1.03 2.58 3.38 -0.85 0.21 115.31 120.33 1w2g h LEU 69 Ca 0.11 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1w2g h LEU 69 Cb 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1w2g h LEU 69 CO -0.01 0.24 0.03 -0.26 0.09 0.00 0.00 178.44 178.53 1w2g h PHE 70 N 0.46 0.76 -0.33 1.13 0.05 -1.18 -0.51 116.94 117.32 1w2g h PHE 70 Ca 0.20 -0.09 -0.12 0.00 3.82 0.00 0.00 57.97 61.78 1w2g h PHE 70 Cb 0.10 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 1w2g h PHE 70 CO -0.10 0.70 -0.29 0.00 -0.18 0.00 0.00 178.31 178.44 1w2g h ALA 71 N 1.35 0.88 0.00 2.45 0.00 -0.14 -2.23 119.26 121.57 1w2g h ALA 71 Ca 0.14 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1w2g h ALA 71 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1w2g h ALA 71 CO 0.01 0.63 -0.60 -0.07 0.00 0.00 0.00 179.25 179.22 1w2g h LEU 72 N 0.59 0.00 -0.33 0.00 3.38 -0.20 -0.67 115.31 118.08 1w2g h LEU 72 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1w2g h LEU 72 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1w2g h LEU 72 CO 0.06 0.60 0.00 -0.78 0.09 0.00 0.00 178.44 178.42 1w2g h ASP 73 N 0.00 0.56 0.12 -0.43 3.58 -0.83 -2.25 116.42 117.17 1w2g h ASP 73 Ca -0.01 -0.30 -0.09 0.00 0.42 0.00 0.00 57.03 57.04 1w2g h ASP 73 Cb 1.11 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1w2g h ASP 73 CO 0.08 0.73 -0.32 0.03 -2.88 0.00 0.00 179.24 176.87 1w2g h ARG 74 N 0.38 0.30 -0.81 0.28 3.08 -1.22 -2.88 114.38 113.51 1w2g h ARG 74 Ca 0.09 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1w2g h ARG 74 Cb 0.44 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1w2g h ARG 74 CO 0.02 0.60 0.39 0.00 -1.07 0.00 0.00 179.97 179.91 1w2g h ALA 75 N 1.40 1.16 0.00 0.04 0.00 -0.86 -0.17 119.26 120.82 1w2g h ALA 75 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1w2g h ALA 75 Cb 0.71 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1w2g h ALA 75 CO 0.05 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1w2g n GLY 76 N -1.04 -0.93 0.33 0.00 0.00 -0.87 -2.73 105.19 99.96 1w2g n GLY 76 Ca 0.08 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1w2g n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2g n ALA 77 N -0.82 2.53 -0.23 4.61 0.00 -0.11 -4.68 120.51 121.80 1w2g n ALA 77 Ca 0.14 -0.54 0.03 0.00 0.00 0.00 0.00 53.44 53.07 1w2g n ALA 77 Cb 0.07 -0.30 0.15 0.00 0.00 0.00 0.00 19.45 19.36 1w2g n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1w2g h VAL 78 N 1.63 0.66 -0.29 0.00 2.07 -1.26 0.08 116.25 119.15 1w2g h VAL 78 Ca 0.00 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1w2g h VAL 78 Cb 0.36 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1w2g h VAL 78 CO 0.00 0.07 -0.17 0.45 0.02 0.00 0.00 177.57 177.94 1w2g h HIS 79 N 0.38 0.73 -0.67 1.57 3.86 -1.84 -2.30 115.15 116.88 1w2g h HIS 79 Ca 0.37 -0.19 0.05 0.00 -1.16 0.00 0.00 60.37 59.44 1w2g h HIS 79 Cb 0.54 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.80 1w2g h HIS 79 CO -0.19 0.88 0.39 1.15 0.86 0.00 0.00 177.93 181.01 1w2g h THR 80 N 0.37 1.00 -0.18 2.45 2.02 -1.65 0.14 112.91 117.05 1w2g h THR 80 Ca 0.06 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1w2g h THR 80 Cb 0.70 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1w2g h THR 80 CO 0.05 0.13 0.04 0.40 0.37 0.00 0.00 175.52 176.51 1w2g h ILE 81 N 0.72 1.21 -0.75 3.11 2.04 -0.97 -1.45 117.51 121.42 1w2g h ILE 81 Ca 0.29 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1w2g h ILE 81 Cb 0.15 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1w2g h ILE 81 CO -0.16 0.21 0.50 1.56 0.00 0.00 0.00 178.15 180.25 1w2g h GLN 82 N 0.10 0.99 -0.95 2.37 4.20 -1.07 -0.45 115.11 120.31 1w2g h GLN 82 Ca 0.06 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1w2g h GLN 82 Cb 0.28 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 1w2g h GLN 82 CO 0.00 0.66 0.62 0.78 -0.67 0.00 0.00 178.83 180.22 1w2g h GLY 83 N 1.02 1.38 1.35 3.46 0.00 -0.47 -1.95 103.07 107.87 1w2g h GLY 83 Ca 0.28 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1w2g h GLY 83 CO -0.06 0.40 -0.52 1.41 0.00 0.00 0.00 176.54 177.77 1w2g h LEU 84 N 1.19 0.76 -2.02 3.11 3.38 -0.53 -1.92 115.31 119.28 1w2g h LEU 84 Ca 0.38 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1w2g h LEU 84 Cb 0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1w2g h LEU 84 CO -0.12 1.14 -0.08 0.00 0.09 0.00 0.00 178.44 179.47 1w2g h ARG 86 N 0.00 0.34 0.00 0.00 3.08 -1.25 -3.37 114.38 113.19 1w2g h ARG 86 Ca -0.00 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1w2g h ARG 86 Cb 0.16 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1w2g h ARG 86 CO 0.01 1.26 0.00 0.78 -1.07 0.00 0.00 179.97 180.95 1w2g h GLY 87 N 0.94 0.00 -3.56 0.04 0.00 -0.99 -3.46 103.07 96.05 1w2g h GLY 87 Ca -0.35 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.75 1w2g h GLY 87 CO 0.15 0.00 -0.71 -0.19 0.00 0.00 0.00 176.54 175.80 1w2g s TYR 88 N -3.32 0.79 0.12 5.60 1.51 -0.21 -5.00 117.35 116.84 1w2g s TYR 88 Ca 0.06 -0.81 -0.12 0.00 -1.01 0.00 0.00 57.07 55.19 1w2g s TYR 88 Cb 0.08 -0.47 -0.11 0.00 -0.11 0.00 0.00 41.96 41.36 1w2g s TYR 88 CO 0.58 -0.15 1.38 -0.44 -1.11 0.00 0.00 175.55 175.81 1w2g h ASP 89 N 3.43 0.96 -3.40 2.29 3.32 -1.62 -3.43 116.42 117.98 1w2g h ASP 89 Ca -0.35 -0.55 -0.54 0.00 0.02 0.00 0.00 57.03 55.61 1w2g h ASP 89 Cb 1.17 -0.28 -0.33 0.00 0.22 0.00 0.00 39.33 40.11 1w2g h ASP 89 CO 0.58 1.34 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.92 1w2g s VAL 90 N -4.05 1.26 -0.23 -1.35 1.01 -0.12 -2.80 120.40 114.12 1w2g s VAL 90 Ca -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1w2g s VAL 90 Cb 0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1w2g s VAL 90 CO 0.89 0.38 -0.02 -0.69 0.00 0.00 0.00 175.10 175.66 1w2g s VAL 91 N 0.64 3.49 -0.20 2.92 1.01 0.13 -1.81 120.40 126.60 1w2g s VAL 91 Ca -0.15 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1w2g s VAL 91 Cb -0.16 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1w2g s VAL 91 CO 0.04 0.38 -0.03 -0.63 0.00 0.00 0.00 175.10 174.86 1w2g s ILE 92 N 1.49 3.66 -0.16 2.22 1.01 0.10 0.17 121.20 129.69 1w2g s ILE 92 Ca 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1w2g s ILE 92 Cb -0.15 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1w2g s ILE 92 CO -0.02 0.44 -0.03 -0.76 0.00 0.00 0.00 174.94 174.57 1w2g s LEU 93 N 1.07 3.28 -0.70 2.97 1.43 0.13 -1.03 118.68 125.82 1w2g s LEU 93 Ca 0.01 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 1w2g s LEU 93 Cb -0.15 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.37 1w2g s LEU 93 CO 0.01 0.17 0.95 -0.62 0.23 0.00 0.00 176.35 177.09 1w2g s ASP 94 N 0.39 6.27 0.03 2.29 3.68 -0.00 -0.26 116.67 129.05 1w2g s ASP 94 Ca -0.03 -1.29 0.00 0.00 2.13 0.00 0.00 52.55 53.36 1w2g s ASP 94 Cb -0.14 -2.39 0.00 0.00 -1.45 0.00 0.00 42.92 38.93 1w2g s ASP 94 CO 0.03 -1.31 0.00 0.54 0.13 0.00 0.00 175.17 174.56 1w2g n ARG 95 N 7.24 -0.22 0.00 4.34 1.74 -0.04 -1.21 116.66 128.51 1w2g n ARG 95 Ca 0.01 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1w2g n ARG 95 Cb 0.46 -0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 1w2g n ARG 95 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1w2g n TYR 96 N -1.04 0.00 -0.35 -1.55 9.36 -1.26 -4.15 117.16 118.18 1w2g n TYR 96 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 1w2g n TYR 96 Cb 0.00 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 38.87 1w2g n TYR 96 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1w2g h VAL 97 N 0.00 1.08 0.00 2.97 2.07 -1.99 -2.23 116.25 118.15 1w2g h VAL 97 Ca 0.00 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1w2g h VAL 97 Cb 0.00 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.65 1w2g h VAL 97 CO 0.00 0.20 -0.01 0.00 0.02 0.00 0.00 177.57 177.78 1w2g h ALA 98 N 1.43 1.45 -0.52 1.67 0.00 -1.96 -0.82 119.26 120.51 1w2g h ALA 98 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1w2g h ALA 98 Cb 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1w2g h ALA 98 CO -0.17 0.02 0.31 0.77 0.00 0.00 0.00 179.25 180.17 1w2g h SER 99 N 0.00 0.63 -0.83 0.00 0.02 -1.80 0.01 113.55 111.58 1w2g h SER 99 Ca -0.00 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1w2g h SER 99 Cb 0.04 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1w2g h SER 99 CO 0.00 0.51 0.40 -1.13 -1.14 0.00 0.00 176.83 175.48 1w2g h ASN 100 N 0.70 1.09 -0.02 3.07 -1.24 -1.26 -0.39 115.58 117.53 1w2g h ASN 100 Ca 0.19 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1w2g h ASN 100 Cb 0.01 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.77 1w2g h ASN 100 CO -0.03 0.92 -0.01 0.00 -1.29 0.00 0.00 177.43 177.02 1w2g h ALA 101 N 1.21 0.03 0.05 1.57 0.00 -1.17 -1.57 119.26 119.38 1w2g h ALA 101 Ca 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1w2g h ALA 101 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1w2g h ALA 101 CO -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 179.25 178.92 1w2g h ALA 102 N 0.64 -0.06 -0.41 0.00 0.00 -0.85 -1.54 119.26 117.04 1w2g h ALA 102 Ca 0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1w2g h ALA 102 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1w2g h ALA 102 CO 0.00 -0.53 -0.32 1.88 0.00 0.00 0.00 179.25 180.28 1w2g h TYR 103 N -0.06 1.11 -0.44 0.00 -1.99 -1.14 -1.58 116.97 112.86 1w2g h TYR 103 Ca -0.01 -0.31 -0.05 0.00 2.00 0.00 0.00 58.73 60.37 1w2g h TYR 103 Cb 0.05 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.52 1w2g h TYR 103 CO -0.08 1.13 0.09 0.77 -0.00 0.00 0.00 178.16 180.08 1w2g h SER 104 N 0.76 0.68 0.06 3.88 0.02 -1.28 0.26 113.55 117.92 1w2g h SER 104 Ca 0.08 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1w2g h SER 104 Cb 0.91 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1w2g h SER 104 CO 0.08 0.75 -0.03 0.00 -1.14 0.00 0.00 176.83 176.50 1w2g h ALA 105 N 0.95 -0.07 -0.83 3.77 0.00 -1.29 -2.40 119.26 119.39 1w2g h ALA 105 Ca 0.14 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1w2g h ALA 105 Cb 0.35 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1w2g h ALA 105 CO 0.00 -0.49 0.53 0.00 0.00 0.00 0.00 179.25 179.29 1w2g h ALA 106 N 0.76 1.11 -0.01 0.00 0.00 -1.18 0.12 119.26 120.06 1w2g h ALA 106 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1w2g h ALA 106 Cb 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1w2g h ALA 106 CO 0.01 0.33 -0.06 0.00 0.00 0.00 0.00 179.25 179.53 1w2g h ARG 107 N 1.01 0.02 -0.26 0.00 3.08 -0.73 -1.89 114.38 115.60 1w2g h ARG 107 Ca 0.34 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1w2g h ARG 107 Cb 0.06 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1w2g h ARG 107 CO -0.13 0.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.13 1w2g n LEU 108 N -4.46 2.63 -3.37 3.04 4.77 -0.46 -4.93 117.00 114.22 1w2g n LEU 108 Ca -0.03 -1.10 -0.24 0.00 -0.03 0.00 0.00 56.01 54.62 1w2g n LEU 108 Cb 0.15 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1w2g n LEU 108 CO 0.35 0.55 0.14 1.41 -1.33 0.00 0.00 177.39 178.51 1w2g n HIS 109 N 0.97 -2.50 -3.97 -1.77 8.25 -0.63 -5.00 115.22 110.56 1w2g n HIS 109 Ca 0.18 0.81 -0.23 0.00 -0.26 0.00 0.00 57.72 58.22 1w2g n HIS 109 Cb 0.49 -4.79 -0.06 0.00 1.12 0.00 0.00 29.99 26.75 1w2g n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1w2g s GLU 110 N -6.08 2.43 0.00 -0.41 2.02 -0.10 -5.02 118.70 111.54 1w2g s GLU 110 Ca 0.48 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1w2g s GLU 110 Cb -0.21 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1w2g s GLU 110 CO 0.59 0.02 0.00 0.27 0.02 0.00 0.00 175.26 176.16 1w2g n ASN 111 N -1.26 1.38 0.31 -0.19 0.23 -1.26 -4.15 115.26 110.31 1w2g n ASN 111 Ca -0.01 -0.56 0.18 0.00 -0.53 0.00 0.00 54.58 53.66 1w2g n ASN 111 Cb 0.62 0.00 0.98 0.00 -2.08 0.00 0.00 39.78 39.29 1w2g n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1w2g h ALA 112 N 0.64 1.18 -0.14 -2.53 0.00 -1.95 -1.15 119.26 115.32 1w2g h ALA 112 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1w2g h ALA 112 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1w2g h ALA 112 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1w2g n ALA 113 N -2.18 2.53 -1.82 0.00 0.00 -1.26 -4.73 120.51 113.06 1w2g n ALA 113 Ca -0.02 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 1w2g n ALA 113 Cb 0.14 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.58 1w2g n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1w2g s GLY 114 N -1.62 1.59 0.23 0.00 0.00 -0.44 -4.99 107.32 102.09 1w2g s GLY 114 Ca 0.33 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.37 1w2g s GLY 114 CO 0.27 -0.13 1.70 0.50 0.00 0.00 0.00 173.10 175.44 1w2g h LYS 115 N -1.18 0.84 -0.43 2.90 1.79 -1.92 -3.17 116.57 115.40 1w2g h LYS 115 Ca -0.47 -0.26 0.01 0.00 -2.18 0.00 0.00 60.65 57.75 1w2g h LYS 115 Cb 1.33 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1w2g h LYS 115 CO 0.64 0.88 0.28 0.00 -1.08 0.00 0.00 179.45 180.17 1w2g h ALA 116 N 1.16 0.55 -0.58 3.86 0.00 -1.94 0.22 119.26 122.53 1w2g h ALA 116 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1w2g h ALA 116 Cb 0.56 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1w2g h ALA 116 CO 0.03 -0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.36 1w2g h ALA 117 N 1.17 1.10 -0.16 0.00 0.00 -1.82 0.23 119.26 119.78 1w2g h ALA 117 Ca 0.16 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1w2g h ALA 117 Cb -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1w2g h ALA 117 CO -0.05 0.59 -0.67 0.00 0.00 0.00 0.00 179.25 179.12 1w2g h ALA 118 N 1.24 0.52 -0.28 0.00 0.00 -1.47 -2.56 119.26 116.70 1w2g h ALA 118 Ca 0.18 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1w2g h ALA 118 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1w2g h ALA 118 CO 0.01 0.71 0.12 2.35 0.00 0.00 0.00 179.25 182.43 1w2g h TRP 119 N 0.45 0.43 -0.69 0.00 7.01 -0.26 -1.65 115.95 121.23 1w2g h TRP 119 Ca -0.02 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.01 1w2g h TRP 119 Cb 1.26 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 28.13 1w2g h TRP 119 CO 0.06 0.42 0.38 0.28 -2.79 0.00 0.00 178.44 176.79 1w2g h VAL 120 N 0.31 0.96 -0.22 2.65 2.07 -0.90 -0.65 116.25 120.47 1w2g h VAL 120 Ca 0.10 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1w2g h VAL 120 Cb 0.16 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1w2g h VAL 120 CO -0.01 0.13 0.13 -0.61 0.02 0.00 0.00 177.57 177.23 1w2g h GLN 121 N 0.70 0.31 0.06 1.57 4.15 -1.15 -1.17 115.11 119.58 1w2g h GLN 121 Ca 0.31 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 1w2g h GLN 121 Cb 0.21 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1w2g h GLN 121 CO -0.19 0.27 -0.03 0.00 -1.93 0.00 0.00 178.83 176.95 1w2g h ARG 122 N 0.26 -0.07 0.52 1.69 3.08 -0.86 -2.18 114.38 116.81 1w2g h ARG 122 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1w2g h ARG 122 Cb 0.05 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1w2g h ARG 122 CO -0.01 -0.03 -0.25 0.82 -1.07 0.00 0.00 179.97 179.42 1w2g h ILE 123 N -0.09 0.47 -0.01 2.04 1.08 -1.07 0.19 117.51 120.13 1w2g h ILE 123 Ca -0.01 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 64.24 1w2g h ILE 123 Cb 0.07 0.53 0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1w2g h ILE 123 CO 0.01 0.02 -0.32 -0.33 -0.69 0.00 0.00 178.15 176.85 1w2g h GLU 124 N -0.78 0.24 0.03 2.37 5.08 -1.29 0.28 114.58 120.51 1w2g h GLU 124 Ca -0.07 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 57.89 1w2g h GLU 124 Cb 0.57 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1w2g h GLU 124 CO 0.12 0.94 -0.87 0.74 -1.00 0.00 0.00 179.01 178.94 1w2g h PHE 125 N -0.37 0.11 0.16 4.33 0.05 -1.56 0.12 116.94 119.78 1w2g h PHE 125 Ca -0.04 -0.08 -0.24 0.00 3.82 0.00 0.00 57.97 61.43 1w2g h PHE 125 Cb 1.04 -0.00 0.03 0.00 2.00 0.00 0.00 35.95 39.02 1w2g h PHE 125 CO 0.16 1.34 -1.04 0.00 -0.18 0.00 0.00 178.31 178.59 1w2g h ALA 126 N -0.21 -0.08 0.00 2.45 0.00 -1.34 -3.00 119.26 117.08 1w2g h ALA 126 Ca -0.22 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 53.87 1w2g h ALA 126 Cb 1.32 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1w2g h ALA 126 CO -0.07 0.50 -0.73 -0.09 0.00 0.00 0.00 179.25 178.86 1w2g h ARG 127 N -0.10 0.00 0.00 0.00 2.43 -0.52 -3.37 114.38 112.82 1w2g h ARG 127 Ca -0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1w2g h ARG 127 Cb 1.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 1w2g h ARG 127 CO 0.20 0.43 0.00 1.28 -1.51 0.00 0.00 179.97 180.36 1w2g n LEU 128 N -4.56 0.00 -3.71 3.80 4.77 0.99 -4.92 117.00 113.36 1w2g n LEU 128 Ca -0.16 0.34 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 1w2g n LEU 128 Cb 0.41 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1w2g n LEU 128 CO 0.14 -0.02 0.08 0.61 -1.33 0.00 0.00 177.39 176.87 1w2g n GLY 129 N 1.18 -0.50 3.77 -0.72 0.00 -0.95 -4.94 105.19 103.03 1w2g n GLY 129 Ca 0.12 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1w2g n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w2g s LEU 130 N -7.08 4.34 0.12 0.99 1.43 0.39 -4.91 118.68 113.96 1w2g s LEU 130 Ca 0.58 2.58 -0.32 0.00 -1.03 0.00 0.00 54.13 55.94 1w2g s LEU 130 Cb -0.29 -3.78 -0.11 0.00 0.03 0.00 0.00 46.19 42.03 1w2g s LEU 130 CO 0.72 -0.61 1.79 -0.81 0.23 0.00 0.00 176.35 177.67 1w2g n PRO 131 N 0.52 2.66 -2.12 1.29 -0.04 -1.26 -4.66 135.00 131.39 1w2g n PRO 131 Ca 0.02 0.97 -0.41 0.00 -0.04 0.00 0.00 63.50 64.03 1w2g n PRO 131 Cb 0.43 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.03 1w2g n PRO 131 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1w2g s LYS 132 N 2.36 4.34 0.27 0.54 -0.14 -1.26 -4.98 119.74 120.86 1w2g s LYS 132 Ca 0.81 2.17 -0.29 0.00 -1.36 0.00 0.00 55.97 57.31 1w2g s LYS 132 Cb -0.53 -3.15 -0.09 0.00 -1.68 0.00 0.00 37.83 32.38 1w2g s LYS 132 CO 0.38 -0.32 0.95 -1.25 -0.76 0.00 0.00 175.35 174.35 1w2g s PRO 133 N -0.35 4.75 0.15 -1.68 0.04 -1.26 -4.94 135.00 131.72 1w2g s PRO 133 Ca 0.57 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 1w2g s PRO 133 Cb -0.39 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.08 1w2g s PRO 133 CO 0.41 0.42 1.65 -0.44 0.04 0.00 0.00 177.00 179.08 1w2g h ASP 134 N 3.79 0.78 -3.84 6.66 3.45 -1.43 -3.43 116.42 122.39 1w2g h ASP 134 Ca -0.46 -0.24 -0.37 0.00 0.43 0.00 0.00 57.03 56.39 1w2g h ASP 134 Cb 1.20 -0.21 -0.30 0.00 -0.56 0.00 0.00 39.33 39.46 1w2g h ASP 134 CO 0.67 0.82 -0.77 0.26 -1.57 0.00 0.00 179.24 178.66 1w2g s TRP 135 N -5.26 0.65 -0.22 4.55 0.52 -1.05 -4.20 118.94 113.93 1w2g s TRP 135 Ca -0.13 -0.13 0.01 0.00 0.02 0.00 0.00 56.10 55.87 1w2g s TRP 135 Cb 0.12 -0.46 0.03 0.00 -1.15 0.00 0.00 33.47 32.01 1w2g s TRP 135 CO 0.80 -0.05 -0.15 -0.65 0.02 0.00 0.00 176.95 176.92 1w2g s GLN 136 N 0.09 2.76 -0.34 4.98 -0.21 -0.28 -1.14 119.66 125.53 1w2g s GLN 136 Ca -0.01 -0.99 -0.09 0.00 0.02 0.00 0.00 55.36 54.28 1w2g s GLN 136 Cb -0.06 -2.74 0.02 0.00 1.00 0.00 0.00 33.01 31.23 1w2g s GLN 136 CO -0.00 -0.34 0.16 0.08 -2.12 0.00 0.00 175.29 173.07 1w2g s VAL 137 N 1.25 4.40 -0.31 1.09 1.01 0.41 -0.54 120.40 127.71 1w2g s VAL 137 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1w2g s VAL 137 Cb -0.16 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1w2g s VAL 137 CO -0.09 -0.11 0.69 -0.22 0.00 0.00 0.00 175.10 175.37 1w2g s LEU 138 N 1.54 4.13 -0.84 3.92 2.96 0.10 -0.46 118.68 130.03 1w2g s LEU 138 Ca 0.02 0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 54.22 1w2g s LEU 138 Cb -0.18 -2.91 0.11 0.00 0.50 0.00 0.00 46.19 43.71 1w2g s LEU 138 CO 0.05 -0.54 1.07 -0.22 -1.32 0.00 0.00 176.35 175.39 1w2g s LEU 139 N 2.76 4.88 0.15 -0.68 2.96 -0.34 -0.18 118.68 128.22 1w2g s LEU 139 Ca 0.28 -1.73 -0.30 0.00 -0.22 0.00 0.00 54.13 52.16 1w2g s LEU 139 Cb -0.15 -2.40 -0.07 0.00 0.50 0.00 0.00 46.19 44.07 1w2g s LEU 139 CO 0.12 -1.17 1.17 0.00 -1.32 0.00 0.00 176.35 175.16 1w2g s ALA 140 N 3.08 3.41 0.09 5.97 0.00 0.56 -4.65 121.76 130.22 1w2g s ALA 140 Ca 0.29 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 1w2g s ALA 140 Cb -0.09 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1w2g s ALA 140 CO -0.04 -0.35 0.20 0.14 0.00 0.00 0.00 175.76 175.72 1w2g s VAL 141 N 0.23 0.14 0.22 0.00 -7.23 -1.26 -4.26 120.40 108.23 1w2g s VAL 141 Ca 0.54 -1.13 -0.32 0.00 -1.81 0.00 0.00 61.98 59.26 1w2g s VAL 141 Cb -0.31 -1.32 -0.12 0.00 0.56 0.00 0.00 36.38 35.19 1w2g s VAL 141 CO 0.34 -0.63 1.68 -0.55 -0.31 0.00 0.00 175.10 175.63 1w2g s SER 142 N -2.85 6.41 0.27 4.85 0.15 -1.26 -4.89 113.70 116.38 1w2g s SER 142 Ca 0.05 2.85 -0.03 0.00 0.70 0.00 0.00 55.95 59.51 1w2g s SER 142 Cb 0.05 -2.61 0.37 0.00 -1.71 0.00 0.00 66.02 62.12 1w2g s SER 142 CO -0.11 -0.94 1.88 0.00 1.20 0.00 0.00 173.24 175.27 1w2g h ALA 143 N 6.44 1.26 -0.07 5.45 0.00 -1.98 0.83 119.26 131.19 1w2g h ALA 143 Ca -0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1w2g h ALA 143 Cb 1.20 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1w2g h ALA 143 CO 0.92 0.57 -0.02 0.93 0.00 0.00 0.00 179.25 181.65 1w2g h GLU 144 N 1.01 0.14 -0.27 0.00 3.07 -1.98 -0.76 114.58 115.79 1w2g h GLU 144 Ca 0.25 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1w2g h GLU 144 Cb 0.09 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1w2g h GLU 144 CO -0.03 0.49 0.14 1.25 -1.40 0.00 0.00 179.01 179.46 1w2g h LEU 145 N -0.21 0.22 -0.60 1.33 7.12 -1.88 0.27 115.31 121.56 1w2g h LEU 145 Ca 0.02 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1w2g h LEU 145 Cb 0.44 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 1w2g h LEU 145 CO 0.01 0.17 0.31 0.00 -0.13 0.00 0.00 178.44 178.80 1w2g h ALA 146 N 1.13 0.77 -0.52 1.25 0.00 -0.84 -2.13 119.26 118.92 1w2g h ALA 146 Ca 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1w2g h ALA 146 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1w2g h ALA 146 CO -0.06 0.31 0.09 0.78 0.00 0.00 0.00 179.25 180.37 1w2g h GLY 147 N 0.81 0.88 1.40 0.00 0.00 -0.71 -2.61 103.07 102.83 1w2g h GLY 147 Ca 0.21 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1w2g h GLY 147 CO -0.03 0.49 -0.14 -2.09 0.00 0.00 0.00 176.54 174.77 1w2g h GLU 148 N 0.78 0.71 -0.33 4.80 4.57 -0.61 -2.04 114.58 122.46 1w2g h GLU 148 Ca 0.17 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1w2g h GLU 148 Cb 0.34 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1w2g h GLU 148 CO 0.00 0.82 0.10 0.00 -1.18 0.00 0.00 179.01 178.75 1w2g h ARG 149 N 0.64 0.22 -0.35 1.92 2.47 -1.02 0.37 114.38 118.63 1w2g h ARG 149 Ca 0.11 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1w2g h ARG 149 Cb 0.60 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1w2g h ARG 149 CO 0.04 0.15 0.19 0.77 0.56 0.00 0.00 179.97 181.68 1w2g h SER 150 N 0.23 0.44 0.24 7.04 0.02 -1.30 0.63 113.55 120.85 1w2g h SER 150 Ca 0.15 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1w2g h SER 150 Cb 0.15 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1w2g h SER 150 CO -0.18 0.40 -0.32 -0.09 -1.14 0.00 0.00 176.83 175.51 1w2g h ARG 151 N 0.45 0.12 0.00 3.45 2.43 -0.95 -3.05 114.38 116.83 1w2g h ARG 151 Ca 0.12 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1w2g h ARG 151 Cb 0.06 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1w2g h ARG 151 CO -0.02 0.43 -0.13 0.78 -1.51 0.00 0.00 179.97 179.52 1w2g h GLY 152 N 1.03 0.00 0.23 2.80 0.00 0.18 -2.57 103.07 104.74 1w2g h GLY 152 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1w2g h GLY 152 CO 0.05 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.63 1w2g n ARG 153 N -4.72 0.00 0.02 4.80 0.00 0.22 -2.50 116.66 114.46 1w2g n ARG 153 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1w2g n ARG 153 Cb 0.11 -1.12 -0.00 0.00 -0.00 0.00 0.00 32.46 31.45 1w2g n ARG 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1w2g n ALA 154 N -0.61 2.95 0.09 2.89 0.00 -1.15 -4.70 120.51 119.98 1w2g n ALA 154 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1w2g n ALA 154 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1w2g n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w2g n GLN 155 N -2.89 0.05 0.00 0.00 10.64 -0.97 -4.51 117.38 119.70 1w2g n GLN 155 Ca -0.00 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.20 1w2g n GLN 155 Cb 0.00 -1.00 -0.04 0.00 -0.86 0.00 0.00 30.24 28.34 1w2g n GLN 155 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1w2g n ARG 156 N -0.40 4.47 -4.68 2.61 5.12 -1.04 -5.04 116.66 117.69 1w2g n ARG 156 Ca 0.00 -0.03 -0.28 0.00 -1.93 0.00 0.00 57.85 55.61 1w2g n ARG 156 Cb 0.00 -0.85 -0.14 0.00 -1.16 0.00 0.00 32.46 30.31 1w2g n ARG 156 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1w2g s ALA 161 N -1.65 2.12 0.09 7.54 0.00 -1.26 -4.96 121.76 123.63 1w2g s ALA 161 Ca 0.03 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 1w2g s ALA 161 Cb 0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1w2g s ALA 161 CO 0.29 0.49 1.09 1.03 0.00 0.00 0.00 175.76 178.65 1w2g s ARG 162 N -1.45 4.54 0.95 0.00 0.52 -1.26 -5.04 118.95 117.21 1w2g s ARG 162 Ca 0.11 1.63 -0.16 0.00 -0.52 0.00 0.00 55.73 56.78 1w2g s ARG 162 Cb -0.10 -3.36 0.22 0.00 0.52 0.00 0.00 34.95 32.23 1w2g s ARG 162 CO 0.03 -0.05 1.23 -0.40 0.02 0.00 0.00 175.30 176.13 1w2g n ASP 163 N 3.33 -0.13 -0.04 0.23 5.68 -1.26 -4.77 116.55 119.60 1w2g n ASP 163 Ca 0.06 -1.42 0.10 0.00 -0.50 0.00 0.00 54.79 53.03 1w2g n ASP 163 Cb 0.48 -0.96 0.50 0.00 -1.14 0.00 0.00 41.12 40.00 1w2g n ASP 163 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1w2g h ASN 164 N -1.75 0.36 -0.03 -1.12 2.35 -0.84 -2.22 115.58 112.32 1w2g h ASN 164 Ca -0.40 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.21 1w2g h ASN 164 Cb 1.12 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.43 1w2g h ASN 164 CO 0.28 0.23 -0.50 1.88 -1.65 0.00 0.00 177.43 177.67 1w2g h TYR 165 N 0.41 0.56 -0.21 1.19 -1.99 -1.93 -3.20 116.97 111.80 1w2g h TYR 165 Ca 0.23 -0.29 -0.05 0.00 2.00 0.00 0.00 58.73 60.63 1w2g h TYR 165 Cb 0.38 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 1w2g h TYR 165 CO -0.00 1.08 -0.07 0.93 -0.00 0.00 0.00 178.16 180.10 1w2g h GLU 166 N -0.12 0.32 0.00 4.88 5.08 -1.85 -2.60 114.58 120.30 1w2g h GLU 166 Ca -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1w2g h GLU 166 Cb 1.20 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1w2g h GLU 166 CO 0.10 0.41 0.00 0.54 -1.00 0.00 0.00 179.01 179.06 1w2g n ARG 167 N -4.30 0.26 -2.86 2.33 1.74 -0.86 -4.55 116.66 108.41 1w2g n ARG 167 Ca -0.00 0.22 -0.43 0.00 -0.77 0.00 0.00 57.85 56.86 1w2g n ARG 167 Cb 0.24 -1.80 -0.02 0.00 -1.02 0.00 0.00 32.46 29.86 1w2g n ARG 167 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1w2g s ASP 168 N -4.49 6.67 0.27 0.55 -1.08 -0.98 -4.86 116.67 112.74 1w2g s ASP 168 Ca 0.10 -2.08 -0.03 0.00 -0.52 0.00 0.00 52.55 50.03 1w2g s ASP 168 Cb 0.12 -2.43 0.40 0.00 -1.46 0.00 0.00 42.92 39.55 1w2g s ASP 168 CO 0.59 -1.09 1.88 0.00 0.52 0.00 0.00 175.17 177.07 1w2g h ALA 169 N 8.74 1.39 -0.29 3.66 0.00 -1.83 -2.04 119.26 128.89 1w2g h ALA 169 Ca 0.19 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1w2g h ALA 169 Cb 1.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1w2g h ALA 169 CO 1.18 0.46 -0.41 0.93 0.00 0.00 0.00 179.25 181.41 1w2g h GLU 170 N 1.19 0.71 -0.40 0.00 5.08 -1.96 -2.40 114.58 116.80 1w2g h GLU 170 Ca 0.43 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1w2g h GLU 170 Cb 0.15 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1w2g h GLU 170 CO -0.17 0.99 0.26 1.25 -1.00 0.00 0.00 179.01 180.34 1w2g h LEU 171 N 0.58 0.44 -1.13 1.33 5.85 -1.78 -0.90 115.31 119.70 1w2g h LEU 171 Ca 0.05 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1w2g h LEU 171 Cb 0.95 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1w2g h LEU 171 CO 0.09 0.32 0.56 1.56 -0.34 0.00 0.00 178.44 180.63 1w2g h GLN 172 N 0.53 1.15 -0.28 1.25 1.08 -1.29 0.13 115.11 117.69 1w2g h GLN 172 Ca 0.15 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1w2g h GLN 172 Cb -0.05 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.12 1w2g h GLN 172 CO -0.04 0.77 -0.01 0.37 -0.95 0.00 0.00 178.83 178.97 1w2g h GLN 173 N 1.18 0.49 -0.11 1.46 5.75 -0.98 -1.78 115.11 121.13 1w2g h GLN 173 Ca 0.32 -0.16 -0.11 0.00 -0.15 0.00 0.00 58.65 58.55 1w2g h GLN 173 Cb -0.12 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1w2g h GLN 173 CO -0.07 0.66 -0.42 0.00 -2.65 0.00 0.00 178.83 176.35 1w2g h ARG 174 N 0.28 0.24 -0.47 1.69 3.08 -0.74 -2.50 114.38 115.96 1w2g h ARG 174 Ca 0.08 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1w2g h ARG 174 Cb 0.44 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1w2g h ARG 174 CO 0.02 0.62 0.06 1.15 -1.07 0.00 0.00 179.97 180.75 1w2g h THR 175 N 0.20 1.25 -0.63 2.04 2.02 -0.59 -0.76 112.91 116.45 1w2g h THR 175 Ca 0.02 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 1w2g h THR 175 Cb 0.83 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1w2g h THR 175 CO 0.06 0.33 0.37 1.23 0.37 0.00 0.00 175.52 177.88 1w2g h GLY 176 N 0.64 0.91 1.47 2.16 0.00 -1.10 0.03 103.07 107.18 1w2g h GLY 176 Ca 0.14 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 1w2g h GLY 176 CO 0.01 0.36 -0.59 0.00 0.00 0.00 0.00 176.54 176.33 1w2g h ALA 177 N 1.55 0.66 -0.18 3.60 0.00 -1.04 -2.25 119.26 121.60 1w2g h ALA 177 Ca 0.23 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 1w2g h ALA 177 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1w2g h ALA 177 CO -0.04 0.70 -0.67 0.28 0.00 0.00 0.00 179.25 179.52 1w2g h VAL 178 N 0.42 1.30 -0.60 0.00 2.07 -0.74 -2.76 116.25 115.93 1w2g h VAL 178 Ca -0.00 -1.91 0.07 0.00 0.82 0.00 0.00 66.70 65.69 1w2g h VAL 178 Cb 1.14 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1w2g h VAL 178 CO 0.11 0.60 0.28 1.88 0.02 0.00 0.00 177.57 180.46 1w2g h TYR 179 N 0.50 0.49 -0.47 1.57 0.99 -0.91 0.32 116.97 119.46 1w2g h TYR 179 Ca -0.02 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1w2g h TYR 179 Cb 1.26 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 38.84 1w2g h TYR 179 CO 0.07 0.19 0.19 0.00 -0.00 0.00 0.00 178.16 178.60 1w2g h ALA 180 N 1.37 1.45 -0.24 3.88 0.00 -1.27 -0.76 119.26 123.68 1w2g h ALA 180 Ca 0.29 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1w2g h ALA 180 Cb 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1w2g h ALA 180 CO -0.24 0.42 -0.50 0.93 0.00 0.00 0.00 179.25 179.86 1w2g h GLU 181 N 0.67 0.77 -0.13 0.00 5.08 -0.97 -1.05 114.58 118.95 1w2g h GLU 181 Ca 0.16 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1w2g h GLU 181 Cb 0.14 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1w2g h GLU 181 CO -0.02 1.13 0.04 -0.07 -1.00 0.00 0.00 179.01 179.10 1w2g h LEU 182 N 0.50 0.05 -0.59 1.33 3.38 -0.51 -1.42 115.31 118.06 1w2g h LEU 182 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1w2g h LEU 182 Cb 1.11 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1w2g h LEU 182 CO 0.11 0.05 0.34 0.00 0.09 0.00 0.00 178.44 179.03 1w2g h ALA 183 N 1.08 0.75 -0.76 1.53 0.00 -1.13 -0.15 119.26 120.57 1w2g h ALA 183 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1w2g h ALA 183 Cb 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1w2g h ALA 183 CO -0.06 0.25 0.48 0.00 0.00 0.00 0.00 179.25 179.93 1w2g h ALA 184 N 1.16 1.42 -0.33 0.00 0.00 -0.84 -2.35 119.26 118.33 1w2g h ALA 184 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1w2g h ALA 184 Cb 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1w2g h ALA 184 CO -0.04 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1w2g n GLN 185 N -4.40 2.18 -3.49 0.00 10.64 -0.56 -4.95 117.38 116.79 1w2g n GLN 185 Ca 0.08 -1.79 -0.20 0.00 -1.83 0.00 0.00 57.00 53.26 1w2g n GLN 185 Cb 0.05 -1.45 0.09 0.00 -0.86 0.00 0.00 30.24 28.06 1w2g n GLN 185 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1w2g n GLY 186 N 1.34 -0.43 3.66 2.61 0.00 -0.61 -4.89 105.19 106.87 1w2g n GLY 186 Ca 0.18 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1w2g n GLY 186 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1w2g s TRP 187 N -3.34 1.87 0.00 1.61 -0.00 -0.17 -2.12 118.94 116.79 1w2g s TRP 187 Ca 0.24 0.07 0.00 0.00 -0.00 0.00 0.00 56.10 56.41 1w2g s TRP 187 Cb -0.11 -3.99 0.00 0.00 -0.00 0.00 0.00 33.47 29.38 1w2g s TRP 187 CO 0.73 -4.20 0.00 0.41 -0.00 0.00 0.00 176.95 173.88 1w2g n GLY 188 N 4.20 0.90 0.00 5.86 0.00 -1.26 -4.84 105.19 110.06 1w2g n GLY 188 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1w2g n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2g n GLY 189 N -2.00 0.95 3.73 -0.02 0.00 -0.90 -4.56 105.19 102.38 1w2g n GLY 189 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1w2g n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2g s ARG 190 N -2.00 4.46 0.31 1.61 0.52 -1.26 -4.42 118.95 118.17 1w2g s ARG 190 Ca 0.00 1.83 0.09 0.00 -0.52 0.00 0.00 55.73 57.13 1w2g s ARG 190 Cb 0.00 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 1w2g s ARG 190 CO 0.00 -0.17 0.01 -1.58 0.02 0.00 0.00 175.30 173.58 1w2g s TRP 191 N 0.49 2.62 -0.06 -0.53 0.52 -1.26 -1.12 118.94 119.59 1w2g s TRP 191 Ca 0.56 -0.33 -0.03 0.00 0.02 0.00 0.00 56.10 56.32 1w2g s TRP 191 Cb -0.31 -1.36 0.04 0.00 -1.15 0.00 0.00 33.47 30.69 1w2g s TRP 191 CO 0.33 0.53 0.13 -1.17 0.02 0.00 0.00 176.95 176.79 1w2g s LEU 192 N -3.71 0.68 -0.24 2.99 0.20 0.30 -4.89 118.68 114.02 1w2g s LEU 192 Ca 0.34 0.27 -0.08 0.00 0.69 0.00 0.00 54.13 55.35 1w2g s LEU 192 Cb -0.03 0.30 -0.03 0.00 -0.43 0.00 0.00 46.19 46.00 1w2g s LEU 192 CO 0.20 -0.16 0.08 -0.69 -0.29 0.00 0.00 176.35 175.49 1w2g s VAL 193 N 1.28 4.50 0.25 1.68 1.01 -1.26 0.00 120.40 127.85 1w2g s VAL 193 Ca -0.08 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1w2g s VAL 193 Cb -0.12 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1w2g s VAL 193 CO -0.06 0.35 -0.09 0.68 0.00 0.00 0.00 175.10 175.98 1w2g s VAL 194 N 1.41 1.65 0.45 2.92 -7.23 0.75 -4.95 120.40 115.40 1w2g s VAL 194 Ca 0.06 -2.16 0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1w2g s VAL 194 Cb -0.15 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.51 1w2g s VAL 194 CO 0.04 -0.42 0.42 -0.83 -0.31 0.00 0.00 175.10 174.00 1w2g s GLY 195 N -3.39 2.15 0.14 2.32 0.00 -1.26 -0.32 107.32 106.96 1w2g s GLY 195 Ca 0.27 -1.79 -0.18 0.00 0.00 0.00 0.00 44.72 43.01 1w2g s GLY 195 CO 0.10 -1.74 1.78 0.00 0.00 0.00 0.00 173.10 173.23 1w2g h ALA 196 N 0.90 0.35 0.00 3.20 0.00 -1.93 -2.50 119.26 119.28 1w2g h ALA 196 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1w2g h ALA 196 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1w2g h ALA 196 CO 0.56 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.18 1w2g n ASP 197 N -4.95 0.46 -4.73 0.00 3.85 -1.26 -4.90 116.55 105.03 1w2g n ASP 197 Ca -0.01 -1.65 -0.39 0.00 -0.71 0.00 0.00 54.79 52.03 1w2g n ASP 197 Cb 0.06 -0.23 0.04 0.00 -1.35 0.00 0.00 41.12 39.64 1w2g n ASP 197 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1w2g n VAL 198 N -0.17 3.68 -2.75 2.12 3.14 -0.94 -4.94 118.33 118.47 1w2g n VAL 198 Ca 0.00 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.45 1w2g n VAL 198 Cb 0.12 -1.62 -0.03 0.00 -1.06 0.00 0.00 33.84 31.24 1w2g n VAL 198 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1w2g s ASP 199 N -0.89 6.86 0.13 6.55 2.15 -1.26 -4.94 116.67 125.27 1w2g s ASP 199 Ca 0.71 0.96 -0.20 0.00 0.43 0.00 0.00 52.55 54.45 1w2g s ASP 199 Cb -0.43 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 39.68 1w2g s ASP 199 CO 0.50 -0.75 1.70 -0.65 -0.17 0.00 0.00 175.17 175.80 1w2g h PRO 200 N 7.99 0.00 -0.31 4.34 0.11 -1.92 -0.49 132.00 141.74 1w2g h PRO 200 Ca -0.22 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.96 1w2g h PRO 200 Cb 1.07 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 1w2g h PRO 200 CO 0.97 0.00 -0.24 0.78 -0.21 0.00 0.00 178.00 179.31 1w2g h GLY 201 N 0.00 -0.10 1.31 -0.55 0.00 -1.92 0.37 103.07 102.19 1w2g h GLY 201 Ca 0.10 0.30 -0.17 0.00 0.00 0.00 0.00 47.33 47.56 1w2g h GLY 201 CO -0.22 -0.20 -0.51 -0.09 0.00 0.00 0.00 176.54 175.53 1w2g h ARG 202 N -0.21 0.73 -0.40 4.80 1.12 -1.96 -2.17 114.38 116.29 1w2g h ARG 202 Ca 0.16 -0.44 0.06 0.00 -1.11 0.00 0.00 59.98 58.65 1w2g h ARG 202 Cb 0.46 0.04 -0.06 0.00 -0.01 0.00 0.00 29.97 30.40 1w2g h ARG 202 CO -0.43 1.06 0.06 1.25 -3.11 0.00 0.00 179.97 178.81 1w2g h LEU 203 N 0.57 -0.02 -0.90 3.80 5.85 -0.44 0.46 115.31 124.63 1w2g h LEU 203 Ca 0.02 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1w2g h LEU 203 Cb 1.08 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1w2g h LEU 203 CO 0.11 0.02 0.06 0.00 -0.34 0.00 0.00 178.44 178.29 1w2g h ALA 204 N 1.31 1.10 0.00 1.25 0.00 -0.88 -0.45 119.26 121.59 1w2g h ALA 204 Ca 0.19 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1w2g h ALA 204 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1w2g h ALA 204 CO -0.26 0.58 -0.46 0.00 0.00 0.00 0.00 179.25 179.11 1w2g h ALA 205 N 1.24 1.21 0.03 0.00 0.00 -0.59 -0.28 119.26 120.87 1w2g h ALA 205 Ca 0.17 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1w2g h ALA 205 Cb 0.41 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1w2g h ALA 205 CO 0.01 0.57 -0.68 1.15 0.00 0.00 0.00 179.25 180.30 1w2g h THR 206 N 0.00 1.43 -0.25 0.00 2.02 0.48 -2.25 112.91 114.33 1w2g h THR 206 Ca -0.00 -2.17 -0.18 0.00 0.77 0.00 0.00 66.41 64.82 1w2g h THR 206 Cb 0.82 2.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1w2g h THR 206 CO 0.06 0.63 -0.56 -0.07 0.37 0.00 0.00 175.52 175.96 1w2g h LEU 207 N -0.11 0.87 0.00 2.58 3.38 -1.05 -3.43 115.31 117.55 1w2g h LEU 207 Ca -0.09 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1w2g h LEU 207 Cb 1.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1w2g h LEU 207 CO 0.13 1.24 0.00 0.00 0.09 0.00 0.00 178.44 179.91 1w2g n ALA 208 N -2.56 1.97 0.00 1.53 0.00 -0.13 -5.06 120.51 116.26 1w2g n ALA 208 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1w2g n ALA 208 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1w2g n ALA 208 CO 0.00 0.00 0.00 -3.68 0.00 0.00 0.00 177.50 173.82