#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eea s ARG 7 N 0.00 2.84 0.35 5.31 0.52 -1.26 -5.01 118.95 121.70 3eea s ARG 7 Ca 0.00 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.43 3eea s ARG 7 Cb 0.00 -2.65 0.65 0.00 0.52 0.00 0.00 34.95 33.47 3eea s ARG 7 CO 0.00 0.51 1.95 1.25 0.02 0.00 0.00 175.30 179.03 3eea h LEU 8 N 2.78 0.57 -1.10 2.53 5.85 -2.04 -2.43 115.31 121.48 3eea h LEU 8 Ca -0.47 -0.06 0.20 0.00 0.84 0.00 0.00 57.88 58.38 3eea h LEU 8 Cb 1.19 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 3eea h LEU 8 CO 0.64 0.52 0.61 0.77 -0.34 0.00 0.00 178.44 180.64 3eea h SER 9 N 0.63 0.71 0.90 1.25 4.64 -1.95 -0.15 113.55 119.59 3eea h SER 9 Ca 0.15 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3eea h SER 9 Cb 0.13 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3eea h SER 9 CO -0.02 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3eea n GLY 10 N -1.36 -1.35 0.34 -0.77 0.00 -0.91 -2.64 105.19 98.48 3eea n GLY 10 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.32 3eea n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3eea n LEU 11 N -1.97 1.54 -1.69 0.99 4.77 -0.12 -4.56 117.00 115.96 3eea n LEU 11 Ca 0.04 -0.78 -0.08 0.00 -0.03 0.00 0.00 56.01 55.16 3eea n LEU 11 Cb 0.28 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3eea n LEU 11 CO 0.22 0.30 0.19 0.35 -1.33 0.00 0.00 177.39 177.11 3eea n THR 12 N -0.10 1.94 -2.81 -5.08 -2.24 -0.87 -4.95 114.28 100.17 3eea n THR 12 Ca 0.06 -3.36 -0.43 0.00 -2.27 0.00 0.00 64.05 58.05 3eea n THR 12 Cb 0.30 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 3eea n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3eea s ASP 13 N -3.35 6.67 0.40 3.42 -1.08 -1.24 -4.84 116.67 116.65 3eea s ASP 13 Ca 0.41 -2.04 0.07 0.00 -0.52 0.00 0.00 52.55 50.47 3eea s ASP 13 Cb 0.38 -2.46 0.81 0.00 -1.46 0.00 0.00 42.92 40.20 3eea s ASP 13 CO -0.03 -1.15 2.03 -0.37 0.52 0.00 0.00 175.17 176.17 3eea h VAL 14 N 5.92 1.12 -0.25 1.11 -1.51 -1.94 -2.77 116.25 117.94 3eea h VAL 14 Ca 0.21 -0.31 -0.11 0.00 -1.23 0.00 0.00 66.70 65.27 3eea h VAL 14 Cb 0.99 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 3eea h VAL 14 CO 1.23 0.13 -0.30 -0.78 -1.23 0.00 0.00 177.57 176.62 3eea h ASP 15 N 0.54 0.51 -0.15 4.19 3.58 -1.99 -1.59 116.42 121.50 3eea h ASP 15 Ca 0.14 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 3eea h ASP 15 Cb 0.01 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3eea h ASP 15 CO -0.02 0.79 -0.24 -0.33 -2.88 0.00 0.00 179.24 176.56 3eea h GLU 16 N 0.43 0.60 -0.37 0.28 4.39 -1.91 -0.83 114.58 117.18 3eea h GLU 16 Ca 0.06 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3eea h GLU 16 Cb 0.75 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 3eea h GLU 16 CO 0.06 0.79 0.24 0.28 -1.16 0.00 0.00 179.01 179.22 3eea h VAL 17 N 0.53 1.10 -0.41 3.13 2.07 -1.38 -1.35 116.25 119.93 3eea h VAL 17 Ca 0.08 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.28 3eea h VAL 17 Cb 0.70 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3eea h VAL 17 CO 0.05 0.09 -0.28 0.40 0.02 0.00 0.00 177.57 177.85 3eea h ILE 18 N 0.50 1.27 -0.14 4.57 1.08 -1.03 0.30 117.51 124.06 3eea h ILE 18 Ca 0.13 -1.44 0.02 0.00 -0.39 0.00 0.00 64.86 63.19 3eea h ILE 18 Cb -0.05 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 3eea h ILE 18 CO -0.03 0.48 0.02 0.11 -0.69 0.00 0.00 178.15 178.04 3eea h LYS 19 N 0.75 0.07 -0.42 2.37 1.57 -1.12 -0.64 116.57 119.15 3eea h LYS 19 Ca 0.09 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3eea h LYS 19 Cb 0.84 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3eea h LYS 19 CO 0.07 0.05 0.06 -0.44 -0.57 0.00 0.00 179.45 178.62 3eea h ASP 20 N 0.08 0.68 -0.14 0.86 3.32 -1.02 -1.45 116.42 118.74 3eea h ASP 20 Ca 0.06 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3eea h ASP 20 Cb 0.06 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3eea h ASP 20 CO -0.09 0.77 -0.10 0.25 -1.72 0.00 0.00 179.24 178.35 3eea h LEU 21 N 0.56 -0.33 -0.67 1.55 5.85 -0.85 -1.62 115.31 119.81 3eea h LEU 21 Ca 0.13 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3eea h LEU 21 Cb 0.38 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3eea h LEU 21 CO 0.01 -0.14 0.44 0.28 -0.34 0.00 0.00 178.44 178.69 3eea h SER 22 N -0.11 0.74 -0.22 1.25 0.02 -0.95 -0.75 113.55 113.54 3eea h SER 22 Ca 0.09 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3eea h SER 22 Cb 0.24 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3eea h SER 22 CO -0.21 0.53 0.12 -0.09 -1.14 0.00 0.00 176.83 176.05 3eea h ARG 23 N 0.88 0.30 -0.43 3.45 2.43 -1.09 -1.28 114.38 118.63 3eea h ARG 23 Ca 0.25 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3eea h ARG 23 Cb -0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3eea h ARG 23 CO -0.07 0.28 0.16 1.25 -1.51 0.00 0.00 179.97 180.08 3eea h LEU 24 N 0.25 0.61 -0.41 3.80 5.85 -1.01 -1.65 115.31 122.75 3eea h LEU 24 Ca 0.08 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3eea h LEU 24 Cb 0.06 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3eea h LEU 24 CO -0.01 0.63 0.18 -0.07 -0.34 0.00 0.00 178.44 178.83 3eea h LEU 25 N 0.56 0.24 -1.51 2.25 3.38 -1.02 -0.96 115.31 118.24 3eea h LEU 25 Ca 0.14 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3eea h LEU 25 Cb 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3eea h LEU 25 CO -0.01 0.18 0.01 0.03 0.09 0.00 0.00 178.44 178.73 3eea h ARG 26 N 0.37 0.32 0.00 1.13 3.08 -0.94 -0.05 114.38 118.29 3eea h ARG 26 Ca 0.18 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 3eea h ARG 26 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3eea h ARG 26 CO -0.15 0.34 -0.56 0.87 -1.07 0.00 0.00 179.97 179.40 3eea h LYS 27 N 0.31 0.00 0.00 0.04 1.57 -0.85 -3.35 116.57 114.29 3eea h LYS 27 Ca 0.07 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 3eea h LYS 27 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3eea h LYS 27 CO 0.00 0.56 -1.75 1.28 -0.57 0.00 0.00 179.45 178.97 3eea n LEU 28 N -3.51 0.52 -3.82 2.94 4.77 -0.40 -4.91 117.00 112.58 3eea n LEU 28 Ca -0.00 0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 3eea n LEU 28 Cb 0.65 0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.74 3eea n LEU 28 CO 0.40 0.22 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.60 3eea s VAL 29 N -2.90 0.35 0.04 4.08 1.01 -0.10 -5.09 120.40 117.79 3eea s VAL 29 Ca -0.05 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3eea s VAL 29 Cb 0.09 -0.44 -0.08 0.00 0.00 0.00 0.00 36.38 35.95 3eea s VAL 29 CO 0.83 0.21 1.68 -0.54 0.00 0.00 0.00 175.10 177.27 3eea s LYS 30 N 1.30 4.19 0.01 2.72 1.02 -1.26 -4.45 119.74 123.27 3eea s LYS 30 Ca -0.05 2.32 -0.10 0.00 0.02 0.00 0.00 55.97 58.15 3eea s LYS 30 Cb -0.13 -3.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.46 3eea s LYS 30 CO -0.02 -0.77 0.21 0.95 -0.92 0.00 0.00 175.35 174.80 3eea s THR 31 N 3.07 0.08 -0.07 2.17 -4.23 -1.26 -4.91 115.64 110.50 3eea s THR 31 Ca 0.75 -0.67 -0.25 0.00 -1.18 0.00 0.00 61.69 60.34 3eea s THR 31 Cb -0.39 -0.61 -0.25 0.00 1.34 0.00 0.00 72.50 72.59 3eea s THR 31 CO 0.32 -0.37 0.97 -0.09 -0.54 0.00 0.00 174.62 174.91 3eea h ARG 32 N 3.92 0.16 -3.27 3.99 2.43 -0.32 -3.49 114.38 117.81 3eea h ARG 32 Ca -0.31 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3eea h ARG 32 Cb 1.19 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.71 3eea h ARG 32 CO 0.42 0.98 0.06 1.67 -1.51 0.00 0.00 179.97 181.59 3eea s TRP 33 N -2.88 -0.07 -0.03 2.20 1.48 -1.11 -4.59 118.94 113.93 3eea s TRP 33 Ca -0.16 -0.30 0.02 0.00 -1.06 0.00 0.00 56.10 54.60 3eea s TRP 33 Cb 0.00 0.44 0.01 0.00 -1.16 0.00 0.00 33.47 32.77 3eea s TRP 33 CO 0.74 -1.01 -0.06 0.42 -4.06 0.00 0.00 176.95 172.98 3eea s ILE 34 N -3.90 0.62 -0.10 0.66 1.01 -0.46 -1.36 121.20 117.66 3eea s ILE 34 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 3eea s ILE 34 Cb -0.02 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.88 3eea s ILE 34 CO 0.01 0.22 -0.07 0.00 0.00 0.00 0.00 174.94 175.10 3eea s ALA 35 N 0.51 1.27 -0.10 9.38 0.00 0.15 -0.79 121.76 132.18 3eea s ALA 35 Ca -0.07 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3eea s ALA 35 Cb -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 3eea s ALA 35 CO 0.00 -0.36 -0.11 0.08 0.00 0.00 0.00 175.76 175.37 3eea s VAL 36 N 1.61 3.30 0.09 0.00 1.01 0.70 -0.78 120.40 126.33 3eea s VAL 36 Ca 0.03 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3eea s VAL 36 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3eea s VAL 36 CO -0.07 0.56 -0.17 -0.31 0.00 0.00 0.00 175.10 175.11 3eea s TYR 37 N -0.20 1.45 0.05 5.22 2.02 -0.46 -0.07 117.35 125.36 3eea s TYR 37 Ca 0.01 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3eea s TYR 37 Cb -0.13 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 3eea s TYR 37 CO 0.03 0.13 0.05 -0.06 -1.57 0.00 0.00 175.55 174.13 3eea s PHE 38 N -1.36 3.16 -0.24 2.71 0.08 -0.13 -0.83 117.98 121.38 3eea s PHE 38 Ca 0.03 0.09 -0.22 0.00 0.12 0.00 0.00 56.93 56.95 3eea s PHE 38 Cb -0.09 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 3eea s PHE 38 CO 0.03 0.51 0.70 0.12 -0.10 0.00 0.00 175.22 176.48 3eea s PHE 39 N -1.28 3.31 0.00 0.36 5.36 -0.14 -0.46 117.98 125.13 3eea s PHE 39 Ca 0.26 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.19 3eea s PHE 39 Cb -0.12 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.65 3eea s PHE 39 CO 0.18 -0.32 0.00 -0.25 -1.46 0.00 0.00 175.22 173.37 3eea n ASP 40 N 5.66 0.00 0.00 6.13 8.00 -0.32 -4.82 116.55 131.20 3eea n ASP 40 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3eea n ASP 40 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3eea n ASP 40 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3eea n ARG 43 N 0.00 0.00 -0.86 -1.24 3.00 -1.26 -3.66 116.66 112.64 3eea n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3eea n ARG 43 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 32.46 29.30 3eea n ARG 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3eea n ARG 44 N -1.55 0.00 -4.10 -0.14 0.63 -1.26 -5.00 116.66 105.24 3eea n ARG 44 Ca 0.00 0.25 -0.14 0.00 -0.92 0.00 0.00 57.85 57.04 3eea n ARG 44 Cb 0.00 -3.08 -0.05 0.00 0.45 0.00 0.00 32.46 29.78 3eea n ARG 44 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3eea s ASP 45 N -2.50 0.79 -0.21 6.15 1.47 -1.24 -4.48 116.67 116.66 3eea s ASP 45 Ca 0.00 -1.43 -0.12 0.00 1.18 0.00 0.00 52.55 52.18 3eea s ASP 45 Cb 0.00 0.63 -0.05 0.00 -0.34 0.00 0.00 42.92 43.16 3eea s ASP 45 CO 0.00 -1.23 0.24 -0.36 0.68 0.00 0.00 175.17 174.49 3eea s PHE 46 N -3.27 3.38 -0.12 2.11 0.08 -0.11 -1.18 117.98 118.87 3eea s PHE 46 Ca 0.31 0.41 -0.05 0.00 0.12 0.00 0.00 56.93 57.72 3eea s PHE 46 Cb 0.00 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 3eea s PHE 46 CO 0.19 0.12 0.07 0.00 -0.10 0.00 0.00 175.22 175.50 3eea s ALA 47 N 0.87 3.55 0.20 5.36 0.00 0.39 -1.00 121.76 131.12 3eea s ALA 47 Ca 0.12 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 3eea s ALA 47 Cb -0.13 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.13 3eea s ALA 47 CO 0.04 0.52 1.45 -1.25 0.00 0.00 0.00 175.76 176.52 3eea s PRO 48 N -0.70 4.27 -0.07 0.00 0.04 -1.26 -0.95 135.00 136.33 3eea s PRO 48 Ca 0.12 2.26 -0.08 0.00 0.04 0.00 0.00 61.00 63.33 3eea s PRO 48 Cb -0.12 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3eea s PRO 48 CO 0.02 -0.45 -0.17 0.00 0.04 0.00 0.00 177.00 176.44 3eea n ALA 49 N 3.04 2.01 -3.56 8.56 0.00 0.90 -4.82 120.51 126.63 3eea n ALA 49 Ca 0.09 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 3eea n ALA 49 Cb 0.40 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 3eea n ALA 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3eea s ARG 50 N -2.38 0.81 0.27 0.00 3.52 -0.97 -5.01 118.95 115.18 3eea s ARG 50 Ca -0.16 0.83 0.12 0.00 -0.13 0.00 0.00 55.73 56.39 3eea s ARG 50 Cb 0.04 0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 33.77 3eea s ARG 50 CO 0.22 -0.12 -0.20 -1.54 -0.81 0.00 0.00 175.30 172.85 3eea s SER 51 N 0.15 3.54 -0.07 -2.12 1.04 -1.26 -0.22 113.70 114.76 3eea s SER 51 Ca -0.01 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.37 3eea s SER 51 Cb -0.04 -0.29 0.04 0.00 0.10 0.00 0.00 66.02 65.83 3eea s SER 51 CO 0.02 0.04 0.15 -0.89 0.98 0.00 0.00 173.24 173.54 3eea s THR 52 N -2.44 -0.06 0.00 2.02 2.01 0.03 -4.88 115.64 112.33 3eea s THR 52 Ca 0.29 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3eea s THR 52 Cb -0.05 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.22 3eea s THR 52 CO 0.14 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3eea n GLY 53 N 4.24 0.75 3.77 4.40 0.00 -1.26 -1.35 105.19 115.74 3eea n GLY 53 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3eea n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3eea s LEU 54 N 0.00 4.04 0.33 0.99 1.43 -1.26 -4.56 118.68 119.65 3eea s LEU 54 Ca 0.00 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 55.07 3eea s LEU 54 Cb 0.00 -4.22 -0.12 0.00 0.03 0.00 0.00 46.19 41.88 3eea s LEU 54 CO 0.00 -0.83 1.45 -2.65 0.23 0.00 0.00 176.35 174.55 3eea n PRO 55 N -0.38 2.45 -0.28 1.29 -0.02 -1.26 -4.87 135.00 131.93 3eea n PRO 55 Ca 0.07 0.86 0.16 0.00 -2.02 0.00 0.00 63.50 62.57 3eea n PRO 55 Cb 0.48 -2.56 0.44 0.00 -0.02 0.00 0.00 33.50 31.84 3eea n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3eea h ALA 56 N 3.46 2.00 0.00 3.55 0.00 -2.02 0.16 119.26 126.41 3eea h ALA 56 Ca -0.48 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3eea h ALA 56 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3eea h ALA 56 CO 0.69 -0.31 -0.08 0.66 0.00 0.00 0.00 179.25 180.22 3eea h SER 57 N 0.55 0.00 0.20 0.00 4.64 -2.04 -2.63 113.55 114.27 3eea h SER 57 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3eea h SER 57 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3eea h SER 57 CO -0.24 0.08 -0.29 0.49 -0.87 0.00 0.00 176.83 176.00 3eea n PHE 58 N -3.78 0.00 -0.18 4.77 3.72 0.54 -4.31 117.46 118.23 3eea n PHE 58 Ca -0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 3eea n PHE 58 Cb 0.18 -0.10 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 3eea n PHE 58 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3eea h LEU 59 N 1.39 0.65 -1.44 4.37 5.85 -1.46 -0.84 115.31 123.83 3eea h LEU 59 Ca 0.00 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3eea h LEU 59 Cb 0.54 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3eea h LEU 59 CO 0.00 0.58 0.22 -0.65 -0.34 0.00 0.00 178.44 178.25 3eea h PRO 60 N 0.68 0.59 0.18 5.25 0.11 -1.77 -1.54 132.00 135.49 3eea h PRO 60 Ca 0.18 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3eea h PRO 60 Cb 0.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3eea h PRO 60 CO -0.02 0.45 -0.09 0.28 -0.21 0.00 0.00 178.00 178.41 3eea h VAL 61 N 0.60 0.90 -0.47 3.15 2.07 -1.65 -2.62 116.25 118.23 3eea h VAL 61 Ca 0.15 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.40 3eea h VAL 61 Cb 0.05 1.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3eea h VAL 61 CO -0.02 0.09 -0.09 0.15 0.02 0.00 0.00 177.57 177.71 3eea h PHE 62 N -0.42 -0.20 0.00 1.57 3.57 -1.05 -2.40 116.94 118.02 3eea h PHE 62 Ca -0.02 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3eea h PHE 62 Cb 0.32 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3eea h PHE 62 CO -0.01 -0.18 -0.18 0.00 -2.23 0.00 0.00 178.31 175.71 3eea h ARG 63 N 0.03 0.00 -0.01 1.11 3.08 -1.20 -3.16 114.38 114.23 3eea h ARG 63 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3eea h ARG 63 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3eea h ARG 63 CO -0.47 0.18 -0.55 -0.85 -1.07 0.00 0.00 179.97 177.21 3eea n GLU 64 N -3.43 1.62 -3.48 0.04 0.28 -0.99 -4.85 120.64 109.82 3eea n GLU 64 Ca -0.00 -0.45 -0.42 0.00 -0.16 0.00 0.00 57.16 56.12 3eea n GLU 64 Cb 0.36 -1.29 -0.07 0.00 1.43 0.00 0.00 31.44 31.87 3eea n GLU 64 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3eea s MET 65 N -2.24 2.76 0.73 3.44 1.75 -0.92 -5.08 119.30 119.74 3eea s MET 65 Ca 0.10 -1.94 -0.13 0.00 -1.25 0.00 0.00 55.69 52.48 3eea s MET 65 Cb 0.13 -4.06 0.04 0.00 2.84 0.00 0.00 34.83 33.78 3eea s MET 65 CO 0.54 -1.24 1.12 -1.25 -0.65 0.00 0.00 175.02 173.54 3eea s PRO 66 N 1.08 2.37 -0.26 4.11 0.04 -1.26 -4.66 135.00 136.42 3eea s PRO 66 Ca 0.08 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 3eea s PRO 66 Cb -0.24 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.43 3eea s PRO 66 CO -0.01 -1.58 -0.04 -0.51 0.04 0.00 0.00 177.00 174.89 3eea s LEU 67 N -5.45 3.33 -0.32 -3.56 1.43 -0.17 -4.95 118.68 108.98 3eea s LEU 67 Ca 0.65 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 3eea s LEU 67 Cb -0.20 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3eea s LEU 67 CO 0.49 -0.15 0.20 0.00 0.23 0.00 0.00 176.35 177.11 3eea s ALA 68 N 1.32 3.41 0.48 4.21 0.00 -1.26 -0.94 121.76 128.98 3eea s ALA 68 Ca -0.01 -1.36 0.22 0.00 0.00 0.00 0.00 51.96 50.82 3eea s ALA 68 Cb -0.17 -2.52 1.24 0.00 0.00 0.00 0.00 23.12 21.67 3eea s ALA 68 CO -0.04 -0.90 1.93 -1.35 0.00 0.00 0.00 175.76 175.41 3eea h PRO 69 N 8.42 0.20 0.00 0.00 0.11 -1.83 0.21 132.00 139.11 3eea h PRO 69 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3eea h PRO 69 Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3eea h PRO 69 CO 0.62 0.13 0.00 -0.44 -0.21 0.00 0.00 178.00 178.10 3eea h ASP 70 N 0.21 0.00 0.00 -2.05 3.32 -1.93 -2.72 116.42 113.25 3eea h ASP 70 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3eea h ASP 70 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3eea h ASP 70 CO -0.07 0.00 -1.51 0.29 -1.72 0.00 0.00 179.24 176.23 3eea n LYS 71 N -2.38 0.60 -3.83 3.56 4.76 0.65 -4.91 118.16 116.60 3eea n LYS 71 Ca 0.01 -0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.04 3eea n LYS 71 Cb 0.19 -1.29 -0.14 0.00 -1.84 0.00 0.00 35.03 31.94 3eea n LYS 71 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3eea s ILE 72 N -2.84 1.58 0.34 -0.18 1.01 -0.59 -4.63 121.20 115.89 3eea s ILE 72 Ca -0.04 -2.14 0.09 0.00 0.00 0.00 0.00 60.65 58.56 3eea s ILE 72 Cb 0.08 -2.15 0.32 0.00 0.01 0.00 0.00 42.46 40.72 3eea s ILE 72 CO 0.54 -0.72 1.83 -0.65 0.00 0.00 0.00 174.94 175.94 3eea h PRO 73 N 7.48 0.67 -0.99 2.79 0.11 -1.71 -0.30 132.00 140.04 3eea h PRO 73 Ca -0.07 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.12 3eea h PRO 73 Cb 0.98 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.86 3eea h PRO 73 CO 0.51 0.45 0.63 1.25 -0.21 0.00 0.00 178.00 180.62 3eea h LEU 74 N 0.69 0.90 -0.03 2.35 5.85 -1.50 -0.54 115.31 123.03 3eea h LEU 74 Ca 0.51 0.05 -0.26 0.00 0.84 0.00 0.00 57.88 59.02 3eea h LEU 74 Cb 0.87 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.78 3eea h LEU 74 CO -0.27 0.47 -1.08 0.25 -0.34 0.00 0.00 178.44 177.47 3eea h LEU 75 N 0.96 0.68 -0.73 2.25 5.85 -1.35 -0.02 115.31 122.95 3eea h LEU 75 Ca 0.50 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3eea h LEU 75 Cb 0.53 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3eea h LEU 75 CO -0.26 1.40 0.31 0.50 -0.34 0.00 0.00 178.44 180.05 3eea h LYS 76 N 0.25 1.07 -0.25 1.25 3.64 -0.84 -1.25 116.57 120.44 3eea h LYS 76 Ca -0.12 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 3eea h LYS 76 Cb 1.74 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 3eea h LYS 76 CO 0.20 0.87 0.09 0.77 -2.27 0.00 0.00 179.45 179.10 3eea h SER 77 N 1.03 0.36 -0.25 4.20 0.02 -0.98 -0.74 113.55 117.20 3eea h SER 77 Ca 0.24 -0.19 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3eea h SER 77 Cb 0.18 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 3eea h SER 77 CO -0.02 0.45 -0.06 -0.03 -1.14 0.00 0.00 176.83 176.03 3eea h MET 78 N 0.25 0.00 -0.30 3.45 1.85 -0.88 -1.42 114.93 117.89 3eea h MET 78 Ca 0.08 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.17 3eea h MET 78 Cb 0.21 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 3eea h MET 78 CO -0.00 0.00 0.16 1.25 -0.40 0.00 0.00 176.91 177.92 3eea h LEU 79 N 0.00 0.37 -0.52 3.39 5.85 -1.12 0.17 115.31 123.44 3eea h LEU 79 Ca 0.12 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3eea h LEU 79 Cb 0.18 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3eea h LEU 79 CO -0.25 0.36 0.13 0.03 -0.34 0.00 0.00 178.44 178.37 3eea h ARG 80 N 0.36 0.83 0.00 1.25 2.47 -1.01 -3.06 114.38 115.22 3eea h ARG 80 Ca 0.10 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3eea h ARG 80 Cb 0.07 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 3eea h ARG 80 CO -0.02 0.79 -0.61 0.87 0.56 0.00 0.00 179.97 181.56 3eea h LYS 81 N 0.73 0.00 -6.04 0.04 1.57 -1.26 -3.48 116.57 108.13 3eea h LYS 81 Ca 0.16 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.51 3eea h LYS 81 Cb 0.32 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.69 3eea h LYS 81 CO 0.00 0.00 -0.71 0.54 -0.57 0.00 0.00 179.45 178.71 3eea n ARG 82 N -2.42 -6.77 -4.15 3.15 3.00 0.57 -4.99 116.66 105.05 3eea n ARG 82 Ca 0.03 0.72 -0.11 0.00 -0.01 0.00 0.00 57.85 58.48 3eea n ARG 82 Cb 0.48 -5.70 -0.10 0.00 0.00 0.00 0.00 32.46 27.14 3eea n ARG 82 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3eea s GLN 83 N -6.45 0.77 0.57 5.56 -0.21 -1.13 -4.96 119.66 113.80 3eea s GLN 83 Ca 0.62 -1.23 -0.18 0.00 0.02 0.00 0.00 55.36 54.60 3eea s GLN 83 Cb -0.29 -0.20 -0.05 0.00 1.00 0.00 0.00 33.01 33.47 3eea s GLN 83 CO 0.77 -0.01 1.10 -3.38 -2.12 0.00 0.00 175.29 171.65 3eea s HIS 84 N -3.24 2.75 0.03 0.91 -3.43 -1.26 -4.61 115.29 106.45 3eea s HIS 84 Ca 0.08 1.55 0.01 0.00 -0.80 0.00 0.00 55.06 55.90 3eea s HIS 84 Cb 0.03 -3.18 -0.02 0.00 -1.43 0.00 0.00 32.58 27.97 3eea s HIS 84 CO -0.04 -1.42 -0.06 -0.51 -2.00 0.00 0.00 174.74 170.71 3eea s LEU 85 N -4.11 2.23 -0.06 5.38 1.43 -0.38 -5.01 118.68 118.16 3eea s LEU 85 Ca 0.69 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3eea s LEU 85 Cb -0.21 -0.08 0.00 0.00 0.03 0.00 0.00 46.19 45.94 3eea s LEU 85 CO 0.31 -0.21 -0.16 -0.32 0.23 0.00 0.00 176.35 176.20 3eea s MET 86 N -1.42 1.89 -0.26 1.70 1.75 -1.26 -0.44 119.30 121.25 3eea s MET 86 Ca -0.11 -0.55 -0.07 0.00 -1.25 0.00 0.00 55.69 53.71 3eea s MET 86 Cb -0.09 -1.56 -0.02 0.00 2.84 0.00 0.00 34.83 36.00 3eea s MET 86 CO -0.00 0.14 0.08 -0.51 -0.65 0.00 0.00 175.02 174.07 3eea s LEU 87 N 0.35 3.58 0.00 4.11 1.43 0.63 -4.96 118.68 123.82 3eea s LEU 87 Ca -0.10 -0.36 0.24 0.00 -1.03 0.00 0.00 54.13 52.88 3eea s LEU 87 Cb -0.14 -1.92 0.34 0.00 0.03 0.00 0.00 46.19 44.50 3eea s LEU 87 CO 0.04 -0.09 1.30 0.35 0.23 0.00 0.00 176.35 178.18 3eea n THR 88 N 4.91 0.00 -3.10 5.49 -2.24 -1.26 -0.52 114.28 117.57 3eea n THR 88 Ca -0.16 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 3eea n THR 88 Cb 0.50 0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 3eea n THR 88 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3eea n ASP 89 N -1.48 -0.57 -0.18 3.42 2.03 -1.26 -4.64 116.55 113.87 3eea n ASP 89 Ca 0.05 -2.82 -0.03 0.00 0.52 0.00 0.00 54.79 52.52 3eea n ASP 89 Cb 0.33 -0.07 0.18 0.00 -0.72 0.00 0.00 41.12 40.85 3eea n ASP 89 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3eea h PRO 90 N 4.07 0.93 -0.96 -0.67 0.11 -1.78 -2.81 132.00 130.89 3eea h PRO 90 Ca 0.03 -0.15 0.29 0.00 0.11 0.00 0.00 66.00 66.28 3eea h PRO 90 Cb 0.92 -0.16 -0.17 0.00 0.11 0.00 0.00 31.00 31.70 3eea h PRO 90 CO 0.42 0.77 0.23 0.78 -0.21 0.00 0.00 178.00 179.99 3eea h GLY 91 N 1.01 1.55 -2.74 -0.55 0.00 -1.76 -1.03 103.07 99.55 3eea h GLY 91 Ca 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 3eea h GLY 91 CO -0.02 -0.53 0.02 -1.14 0.00 0.00 0.00 176.54 174.86 3eea n SER 92 N -5.34 4.90 -4.68 0.19 3.41 -1.06 -4.80 113.62 106.23 3eea n SER 92 Ca 0.26 -3.00 -0.37 0.00 -0.26 0.00 0.00 58.87 55.50 3eea n SER 92 Cb 0.86 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 64.10 3eea n SER 92 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3eea s SER 93 N -1.30 6.28 0.14 4.04 0.15 -0.39 -4.95 113.70 117.67 3eea s SER 93 Ca 0.50 0.31 0.21 0.00 0.70 0.00 0.00 55.95 57.67 3eea s SER 93 Cb 0.39 -2.16 0.86 0.00 -1.71 0.00 0.00 66.02 63.40 3eea s SER 93 CO 0.13 0.03 1.65 -0.90 1.20 0.00 0.00 173.24 175.34 3eea n ASP 94 N 4.21 0.40 0.00 5.45 5.75 -1.26 -3.34 116.55 127.76 3eea n ASP 94 Ca -0.12 0.59 0.14 0.00 -0.01 0.00 0.00 54.79 55.39 3eea n ASP 94 Cb 0.52 -0.68 0.81 0.00 -1.03 0.00 0.00 41.12 40.74 3eea n ASP 94 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3eea n LEU 95 N -1.93 0.00 -4.61 -2.12 4.77 -1.26 -4.78 117.00 107.07 3eea n LEU 95 Ca 0.03 0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 3eea n LEU 95 Cb 0.24 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3eea n LEU 95 CO 0.19 -0.01 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.16 3eea s LEU 96 N -2.16 2.96 0.58 2.23 1.02 -1.21 -1.18 118.68 120.91 3eea s LEU 96 Ca 0.39 -0.95 -0.20 0.00 0.02 0.00 0.00 54.13 53.39 3eea s LEU 96 Cb 0.20 -1.37 -0.04 0.00 0.02 0.00 0.00 46.19 45.00 3eea s LEU 96 CO 0.36 -0.17 1.25 -0.89 0.02 0.00 0.00 176.35 176.92 3eea s THR 97 N -2.49 2.47 0.23 5.49 2.01 -1.26 -4.86 115.64 117.23 3eea s THR 97 Ca 0.34 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.58 3eea s THR 97 Cb -0.02 -3.14 0.21 0.00 0.01 0.00 0.00 72.50 69.57 3eea s THR 97 CO 0.19 -0.04 1.69 -0.65 -0.69 0.00 0.00 174.62 175.12 3eea h PRO 98 N 1.08 0.26 -0.62 4.92 0.11 -1.97 0.49 132.00 136.27 3eea h PRO 98 Ca -0.51 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.71 3eea h PRO 98 Cb 1.30 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 3eea h PRO 98 CO 0.56 0.17 0.15 -0.22 -0.21 0.00 0.00 178.00 178.45 3eea h LYS 99 N 0.27 0.28 -0.03 1.05 3.64 -2.01 -2.74 116.57 117.03 3eea h LYS 99 Ca 0.38 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.50 3eea h LYS 99 Cb 0.61 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3eea h LYS 99 CO -0.47 0.18 -0.94 -0.07 -2.27 0.00 0.00 179.45 175.88 3eea h LEU 100 N 0.29 0.75 -1.05 5.20 3.38 -1.64 -1.99 115.31 120.25 3eea h LEU 100 Ca 0.33 -0.57 0.14 0.00 0.09 0.00 0.00 57.88 57.87 3eea h LEU 100 Cb 0.49 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 3eea h LEU 100 CO -0.40 1.37 0.62 0.03 0.09 0.00 0.00 178.44 180.15 3eea h ARG 101 N 0.35 0.88 -0.02 1.13 3.08 -0.80 -0.45 114.38 118.55 3eea h ARG 101 Ca -0.09 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3eea h ARG 101 Cb 1.58 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3eea h ARG 101 CO 0.18 0.58 -0.26 0.87 -1.07 0.00 0.00 179.97 180.27 3eea h LYS 102 N 0.90 0.20 -0.94 0.04 1.57 -1.32 -2.20 116.57 114.82 3eea h LYS 102 Ca 0.51 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 59.16 3eea h LYS 102 Cb 0.62 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 3eea h LYS 102 CO -0.28 0.90 0.61 -0.07 -0.57 0.00 0.00 179.45 180.04 3eea h LEU 103 N -0.42 0.95 -2.88 2.94 4.07 -1.00 -2.99 115.31 115.97 3eea h LEU 103 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3eea h LEU 103 Cb 0.98 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.52 3eea h LEU 103 CO 0.05 0.61 0.00 0.18 -1.08 0.00 0.00 178.44 178.20 3eea n LEU 104 N -4.49 3.66 0.21 1.67 4.77 -0.21 -4.70 117.00 117.91 3eea n LEU 104 Ca 0.14 -2.10 0.07 0.00 -0.03 0.00 0.00 56.01 54.09 3eea n LEU 104 Cb 0.19 -0.40 0.59 0.00 -2.33 0.00 0.00 43.42 41.47 3eea n LEU 104 CO 0.33 0.85 1.08 0.08 -1.33 0.00 0.00 177.39 178.40 3eea h ARG 105 N 3.27 0.11 -0.46 3.23 0.11 -1.24 -1.51 114.38 117.89 3eea h ARG 105 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3eea h ARG 105 Cb 0.97 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.03 3eea h ARG 105 CO 0.04 0.08 0.00 0.09 0.10 0.00 0.00 179.97 180.28 3eea n ASN 106 N -4.52 2.39 -4.29 0.08 5.03 -1.26 -4.34 115.26 108.35 3eea n ASN 106 Ca -0.02 -2.06 -0.26 0.00 0.87 0.00 0.00 54.58 53.11 3eea n ASN 106 Cb 0.09 -0.32 -0.13 0.00 -1.02 0.00 0.00 39.78 38.40 3eea n ASN 106 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3eea s LEU 107 N -1.06 2.23 -0.17 3.41 1.43 -0.57 -0.44 118.68 123.51 3eea s LEU 107 Ca 0.28 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 3eea s LEU 107 Cb 0.16 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3eea s LEU 107 CO 0.18 0.14 0.42 0.00 0.23 0.00 0.00 176.35 177.31 3eea s VAL 109 N 0.99 1.69 -0.21 0.00 1.01 0.33 -2.04 120.40 122.17 3eea s VAL 109 Ca 0.21 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 3eea s VAL 109 Cb -0.15 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3eea s VAL 109 CO 0.08 0.48 0.08 -0.22 0.00 0.00 0.00 175.10 175.52 3eea s LEU 110 N 1.09 3.76 -0.28 3.92 2.96 -0.08 -0.27 118.68 129.78 3eea s LEU 110 Ca -0.03 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3eea s LEU 110 Cb -0.14 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.60 3eea s LEU 110 CO -0.05 0.11 0.02 0.00 -1.32 0.00 0.00 176.35 175.11 3eea s ALA 111 N 0.77 2.88 -0.22 5.97 0.00 0.41 -1.15 121.76 130.43 3eea s ALA 111 Ca 0.04 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.48 3eea s ALA 111 Cb -0.13 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.07 3eea s ALA 111 CO 0.02 -0.96 -0.13 0.08 0.00 0.00 0.00 175.76 174.76 3eea s VAL 112 N 1.39 2.37 0.39 0.00 1.01 0.06 -1.25 120.40 124.36 3eea s VAL 112 Ca 0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 3eea s VAL 112 Cb -0.18 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 3eea s VAL 112 CO -0.01 0.30 1.09 -2.16 0.00 0.00 0.00 175.10 174.32 3eea s PRO 113 N 1.26 4.16 -0.51 2.72 0.04 -1.26 -0.44 135.00 140.96 3eea s PRO 113 Ca 0.00 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.44 3eea s PRO 113 Cb -0.16 -2.63 0.04 0.00 0.04 0.00 0.00 34.50 31.79 3eea s PRO 113 CO -0.08 -0.18 0.91 -1.64 0.04 0.00 0.00 177.00 176.05 3eea s MET 114 N -2.35 3.39 -0.10 4.56 -1.94 0.27 -4.86 119.30 118.27 3eea s MET 114 Ca 0.57 -0.14 0.03 0.00 -1.71 0.00 0.00 55.69 54.44 3eea s MET 114 Cb -0.26 -4.00 -0.01 0.00 2.01 0.00 0.00 34.83 32.57 3eea s MET 114 CO 0.32 -1.36 -0.20 0.08 -0.01 0.00 0.00 175.02 173.85 3eea s VAL 115 N 3.77 2.41 -0.19 -6.03 1.01 -1.26 -0.50 120.40 119.61 3eea s VAL 115 Ca 0.32 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3eea s VAL 115 Cb -0.12 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.36 3eea s VAL 115 CO 0.22 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 175.10 3eea s VAL 116 N 0.20 1.44 0.00 2.92 1.01 -0.21 -4.72 120.40 121.03 3eea s VAL 116 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3eea s VAL 116 Cb -0.16 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3eea s VAL 116 CO 0.07 0.12 0.00 0.54 0.00 0.00 0.00 175.10 175.82 3eea n ARG 117 N 4.75 0.00 0.00 2.72 1.74 -1.26 -1.52 116.66 123.09 3eea n ARG 117 Ca -0.13 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.06 3eea n ARG 117 Cb 0.47 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.96 3eea n ARG 117 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3eea n THR 118 N 0.00 0.00 -4.29 0.55 -2.24 -1.26 -4.98 114.28 102.06 3eea n THR 118 Ca 0.00 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.01 3eea n THR 118 Cb 0.00 1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 69.52 3eea n THR 118 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3eea s GLN 119 N -2.06 3.05 -0.26 -0.78 -1.52 -0.57 -5.03 119.66 112.49 3eea s GLN 119 Ca 0.23 -0.36 -0.17 0.00 -1.95 0.00 0.00 55.36 53.11 3eea s GLN 119 Cb 0.18 -2.86 -0.03 0.00 -0.22 0.00 0.00 33.01 30.08 3eea s GLN 119 CO 0.38 0.72 0.45 0.08 -0.25 0.00 0.00 175.29 176.67 3eea s VAL 120 N -0.91 5.12 -1.58 1.09 1.01 -1.26 -1.05 120.40 122.81 3eea s VAL 120 Ca 0.14 0.75 0.13 0.00 0.00 0.00 0.00 61.98 62.99 3eea s VAL 120 Cb -0.11 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.59 3eea s VAL 120 CO 0.03 0.12 0.90 2.30 0.00 0.00 0.00 175.10 178.44 3eea n ILE 121 N 5.14 0.00 -1.84 2.22 -5.35 0.35 -4.86 119.36 115.01 3eea n ILE 121 Ca -0.06 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 3eea n ILE 121 Cb 0.50 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 3eea n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3eea n GLY 122 N 0.72 -1.62 3.28 3.28 0.00 -1.23 -0.97 105.19 108.65 3eea n GLY 122 Ca 0.07 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 3eea n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eea s ALA 123 N -1.47 -0.94 -0.17 4.61 0.00 -0.01 -0.56 121.76 123.22 3eea s ALA 123 Ca 0.00 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.68 3eea s ALA 123 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.93 3eea s ALA 123 CO 0.00 -0.24 -0.19 0.08 0.00 0.00 0.00 175.76 175.41 3eea s VAL 124 N -0.73 2.22 -0.12 0.00 1.01 0.41 -1.35 120.40 121.84 3eea s VAL 124 Ca -0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 3eea s VAL 124 Cb -0.04 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3eea s VAL 124 CO 0.03 0.53 -0.03 -0.36 0.00 0.00 0.00 175.10 175.28 3eea s PHE 125 N 1.11 3.06 -0.02 5.22 0.08 0.04 -0.76 117.98 126.70 3eea s PHE 125 Ca 0.00 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.03 3eea s PHE 125 Cb -0.14 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.44 3eea s PHE 125 CO -0.08 0.20 -0.15 -1.64 -0.10 0.00 0.00 175.22 173.45 3eea s MET 126 N -0.24 1.32 0.02 0.44 -1.94 -0.30 -0.68 119.30 117.92 3eea s MET 126 Ca 0.05 -0.55 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 3eea s MET 126 Cb -0.13 -1.25 -0.01 0.00 2.01 0.00 0.00 34.83 35.45 3eea s MET 126 CO 0.02 0.31 -0.08 0.00 -0.01 0.00 0.00 175.02 175.27 3eea s ALA 127 N -0.28 0.61 0.13 3.03 0.00 -0.47 -0.90 121.76 123.88 3eea s ALA 127 Ca 0.04 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 3eea s ALA 127 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3eea s ALA 127 CO -0.00 0.08 0.14 -0.98 0.00 0.00 0.00 175.76 174.99 3eea s ARG 128 N -0.87 0.96 0.50 0.00 1.70 -0.87 0.51 118.95 120.87 3eea s ARG 128 Ca -0.03 -1.27 -0.21 0.00 -0.47 0.00 0.00 55.73 53.75 3eea s ARG 128 Cb -0.06 0.30 -0.07 0.00 -0.57 0.00 0.00 34.95 34.55 3eea s ARG 128 CO 0.00 -0.30 1.16 0.95 -1.08 0.00 0.00 175.30 176.04 3eea s THR 129 N -3.98 3.07 -1.01 4.99 -4.23 -1.26 0.59 115.64 113.81 3eea s THR 129 Ca 0.17 0.75 0.15 0.00 -1.18 0.00 0.00 61.69 61.58 3eea s THR 129 Cb 0.06 -3.35 0.13 0.00 1.34 0.00 0.00 72.50 70.67 3eea s THR 129 CO -0.02 -0.06 1.48 0.54 -0.54 0.00 0.00 174.62 176.02 3eea n ARG 130 N -0.83 0.00 0.07 3.99 1.74 0.41 -2.03 116.66 120.01 3eea n ARG 130 Ca 0.09 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 3eea n ARG 130 Cb 0.49 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.90 3eea n ARG 130 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3eea n ASP 131 N -1.50 0.56 -4.89 0.55 5.75 -1.26 -4.80 116.55 110.96 3eea n ASP 131 Ca 0.04 0.56 -0.29 0.00 -0.01 0.00 0.00 54.79 55.08 3eea n ASP 131 Cb 0.17 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.55 3eea n ASP 131 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3eea s ASN 132 N -4.05 6.36 0.53 -1.12 0.01 -0.86 -5.05 114.94 110.76 3eea s ASN 132 Ca 0.11 1.08 -0.22 0.00 -0.71 0.00 0.00 52.86 53.12 3eea s ASN 132 Cb 0.14 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 3eea s ASN 132 CO 0.56 -0.55 1.31 -2.84 -1.51 0.00 0.00 177.10 174.07 3eea s PRO 133 N -4.45 3.28 0.95 -0.60 0.02 -1.26 -4.96 135.00 127.98 3eea s PRO 133 Ca 0.50 2.11 -0.10 0.00 0.02 0.00 0.00 61.00 63.53 3eea s PRO 133 Cb -0.10 -2.28 0.17 0.00 0.02 0.00 0.00 34.50 32.30 3eea s PRO 133 CO 0.41 -1.04 1.13 -0.35 -0.33 0.00 0.00 177.00 176.82 3eea n PRO 134 N -0.91 -0.69 -1.68 5.54 -0.04 -1.26 -4.91 135.00 131.05 3eea n PRO 134 Ca 0.10 -0.14 -0.46 0.00 -0.04 0.00 0.00 63.50 62.96 3eea n PRO 134 Cb 0.46 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 3eea n PRO 134 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3eea n PHE 135 N -4.35 2.36 -1.91 0.54 3.72 -1.26 -4.97 117.46 111.59 3eea n PHE 135 Ca 0.11 0.16 -0.30 0.00 -0.05 0.00 0.00 57.45 57.38 3eea n PHE 135 Cb 0.52 -2.59 0.05 0.00 -0.94 0.00 0.00 39.48 36.52 3eea n PHE 135 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3eea s SER 136 N 1.60 5.29 0.24 4.37 1.04 -1.26 -4.88 113.70 120.10 3eea s SER 136 Ca 0.81 1.05 -0.06 0.00 0.48 0.00 0.00 55.95 58.23 3eea s SER 136 Cb -0.65 -1.80 0.29 0.00 0.10 0.00 0.00 66.02 63.97 3eea s SER 136 CO 0.39 -1.43 1.89 0.44 0.98 0.00 0.00 173.24 175.52 3eea h ASP 137 N -0.70 1.01 -0.44 7.02 5.19 -1.98 0.58 116.42 127.09 3eea h ASP 137 Ca -0.45 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3eea h ASP 137 Cb 1.27 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 3eea h ASP 137 CO 0.64 0.69 0.26 0.00 -3.12 0.00 0.00 179.24 177.71 3eea h ALA 138 N 1.38 0.57 -0.42 3.45 0.00 -2.00 -0.80 119.26 121.43 3eea h ALA 138 Ca 0.37 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3eea h ALA 138 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3eea h ALA 138 CO -0.12 0.06 0.11 0.93 0.00 0.00 0.00 179.25 180.23 3eea h GLU 139 N 0.59 0.67 -0.56 0.00 5.08 -1.88 -2.94 114.58 115.53 3eea h GLU 139 Ca 0.16 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3eea h GLU 139 Cb 0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3eea h GLU 139 CO -0.03 0.68 0.17 1.15 -1.00 0.00 0.00 179.01 179.98 3eea h THR 140 N 0.54 1.22 -0.33 1.13 2.02 -0.73 -1.57 112.91 115.19 3eea h THR 140 Ca 0.13 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3eea h THR 140 Cb 0.31 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3eea h THR 140 CO 0.00 0.29 0.22 0.00 0.37 0.00 0.00 175.52 176.40 3eea h ALA 141 N 1.37 0.42 0.05 6.16 0.00 -1.02 0.59 119.26 126.82 3eea h ALA 141 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3eea h ALA 141 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3eea h ALA 141 CO -0.01 -0.12 -0.06 0.82 0.00 0.00 0.00 179.25 179.89 3eea h ILE 142 N 0.44 0.86 -0.05 0.00 2.04 -1.31 -1.75 117.51 117.74 3eea h ILE 142 Ca 0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.01 3eea h ILE 142 Cb -0.05 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3eea h ILE 142 CO -0.03 0.00 -0.17 0.40 0.00 0.00 0.00 178.15 178.35 3eea h ILE 143 N -0.13 0.57 -0.88 -0.67 2.04 -1.13 -1.24 117.51 116.06 3eea h ILE 143 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3eea h ILE 143 Cb 0.13 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3eea h ILE 143 CO -0.03 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.72 3eea h ARG 144 N -0.26 1.07 0.19 2.37 3.08 -0.80 -0.86 114.38 119.18 3eea h ARG 144 Ca 0.07 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3eea h ARG 144 Cb 0.36 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3eea h ARG 144 CO -0.20 0.71 -0.09 -0.44 -1.07 0.00 0.00 179.97 178.87 3eea h ASP 145 N 1.10 -0.22 -0.60 7.04 3.32 -1.04 -0.75 116.42 125.28 3eea h ASP 145 Ca 0.35 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 3eea h ASP 145 Cb 0.01 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3eea h ASP 145 CO -0.12 -0.16 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.15 3eea h LEU 146 N -0.26 1.06 -0.79 1.55 3.38 -0.90 -0.37 115.31 118.97 3eea h LEU 146 Ca -0.03 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3eea h LEU 146 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3eea h LEU 146 CO 0.04 1.12 0.02 0.58 0.09 0.00 0.00 178.44 180.30 3eea h VAL 147 N 0.97 1.25 -0.34 1.22 2.07 -1.17 -1.43 116.25 118.82 3eea h VAL 147 Ca 0.17 -1.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 3eea h VAL 147 Cb 0.60 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3eea h VAL 147 CO 0.04 0.38 -0.23 0.28 0.02 0.00 0.00 177.57 178.05 3eea h SER 148 N 0.87 0.69 -0.23 0.57 0.02 -0.51 0.53 113.55 115.48 3eea h SER 148 Ca 0.17 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3eea h SER 148 Cb 0.48 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3eea h SER 148 CO 0.02 0.90 0.14 0.45 -1.14 0.00 0.00 176.83 177.21 3eea h HIS 149 N 0.59 0.30 -0.79 3.45 -0.00 -0.61 -2.52 115.15 115.57 3eea h HIS 149 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.40 3eea h HIS 149 Cb 0.72 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.99 3eea h HIS 149 CO 0.03 0.22 0.29 0.00 -0.00 0.00 0.00 177.93 178.48 3eea h ALA 150 N 1.05 1.03 -0.82 2.45 0.00 -0.99 -2.59 119.26 119.38 3eea h ALA 150 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3eea h ALA 150 Cb 0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3eea h ALA 150 CO -0.02 0.67 0.53 0.00 0.00 0.00 0.00 179.25 180.43 3eea h ALA 151 N 1.16 1.04 -0.45 0.00 0.00 -0.81 0.31 119.26 120.51 3eea h ALA 151 Ca 0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3eea h ALA 151 Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3eea h ALA 151 CO -0.02 0.47 0.09 1.25 0.00 0.00 0.00 179.25 181.05 3eea h LEU 152 N 1.12 0.70 0.10 0.00 5.85 -1.23 0.06 115.31 121.90 3eea h LEU 152 Ca 0.30 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3eea h LEU 152 Cb -0.10 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.75 3eea h LEU 152 CO -0.06 0.76 -0.05 0.58 -0.34 0.00 0.00 178.44 179.33 3eea h VAL 153 N 0.60 0.91 -0.94 1.05 2.07 -1.18 -1.47 116.25 117.29 3eea h VAL 153 Ca 0.14 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3eea h VAL 153 Cb 0.35 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3eea h VAL 153 CO 0.00 0.01 0.60 0.58 0.02 0.00 0.00 177.57 178.79 3eea h VAL 154 N -0.16 1.25 -0.47 2.57 2.07 -0.79 -1.63 116.25 119.10 3eea h VAL 154 Ca -0.01 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3eea h VAL 154 Cb 0.12 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 3eea h VAL 154 CO 0.02 0.25 0.12 0.77 0.02 0.00 0.00 177.57 178.75 3eea h SER 155 N 1.28 0.70 -0.72 0.57 4.64 -0.78 0.24 113.55 119.49 3eea h SER 155 Ca 0.34 -0.23 0.09 0.00 -0.47 0.00 0.00 61.79 61.52 3eea h SER 155 Cb -0.11 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 61.72 3eea h SER 155 CO -0.07 0.75 0.38 0.45 -0.87 0.00 0.00 176.83 177.46 3eea h HIS 156 N 0.62 0.68 -0.34 4.77 3.86 -0.84 -2.21 115.15 121.69 3eea h HIS 156 Ca 0.15 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 3eea h HIS 156 Cb 0.32 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3eea h HIS 156 CO 0.02 0.27 -0.12 0.52 0.86 0.00 0.00 177.93 179.48 3eea h MET 157 N 0.65 0.68 0.00 2.45 2.86 -0.40 -3.20 114.93 117.97 3eea h MET 157 Ca 0.35 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3eea h MET 157 Cb 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3eea h MET 157 CO -0.25 0.87 0.00 1.96 1.06 0.00 0.00 176.91 180.55 3eea h GLN 158 N 0.46 0.00 -0.60 1.72 4.20 -0.31 -2.15 115.11 118.44 3eea h GLN 158 Ca 0.08 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.96 3eea h GLN 158 Cb 0.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 3eea h GLN 158 CO 0.04 0.00 0.65 -0.07 -0.67 0.00 0.00 178.83 178.78 3eea h LEU 159 N 0.00 0.00 -1.73 1.46 3.38 -1.40 -3.51 115.31 113.52 3eea h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3eea h LEU 159 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3eea h LEU 159 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02