#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 11gs s TYR 3 N 0.00 2.97 -0.14 0.54 2.02 -1.25 -2.70 117.35 118.79 11gs s TYR 3 Ca 0.00 -0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 11gs s TYR 3 Cb 0.00 -1.46 0.06 0.00 -0.40 0.00 0.00 41.96 40.17 11gs s TYR 3 CO 0.00 0.51 0.30 0.99 -1.57 0.00 0.00 175.55 175.77 11gs s THR 4 N -1.62 -0.35 -0.18 -0.71 2.01 -0.57 -0.80 115.64 113.42 11gs s THR 4 Ca 0.28 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 11gs s THR 4 Cb -0.10 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 11gs s THR 4 CO 0.20 0.09 -0.01 0.68 -0.69 0.00 0.00 174.62 174.89 11gs s VAL 5 N 2.15 3.95 -0.26 3.82 -7.23 0.02 -1.02 120.40 121.83 11gs s VAL 5 Ca -0.02 -0.32 -0.06 0.00 -1.81 0.00 0.00 61.98 59.76 11gs s VAL 5 Cb -0.11 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 11gs s VAL 5 CO -0.10 0.45 0.05 -0.69 -0.31 0.00 0.00 175.10 174.51 11gs s VAL 6 N 0.73 3.97 0.36 1.32 1.01 0.18 -0.88 120.40 127.09 11gs s VAL 6 Ca -0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 11gs s VAL 6 Cb -0.14 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.37 11gs s VAL 6 CO 0.02 0.25 0.81 -0.47 0.00 0.00 0.00 175.10 175.71 11gs s TYR 7 N 1.54 0.09 0.76 5.22 5.04 -0.77 -1.33 117.35 127.91 11gs s TYR 7 Ca 0.05 -0.73 -0.11 0.00 -2.44 0.00 0.00 57.07 53.83 11gs s TYR 7 Cb -0.16 0.82 0.06 0.00 0.35 0.00 0.00 41.96 43.03 11gs s TYR 7 CO 0.02 -1.50 1.13 -0.06 -1.34 0.00 0.00 175.55 173.80 11gs s PHE 8 N -2.41 3.05 -1.47 4.97 0.08 -1.26 -0.24 117.98 120.70 11gs s PHE 8 Ca 0.16 0.79 -0.11 0.00 0.12 0.00 0.00 56.93 57.89 11gs s PHE 8 Cb -0.05 -3.33 0.02 0.00 -0.57 0.00 0.00 43.02 39.09 11gs s PHE 8 CO 0.11 -1.55 2.46 -0.35 -0.10 0.00 0.00 175.22 175.79 11gs n PRO 9 N -3.17 3.52 -3.84 0.24 -0.04 -1.25 -4.79 135.00 125.67 11gs n PRO 9 Ca 0.08 -2.72 -0.09 0.00 -0.04 0.00 0.00 63.50 60.73 11gs n PRO 9 Cb 0.60 -2.97 -0.07 0.00 -0.04 0.00 0.00 33.50 31.02 11gs n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 11gs s VAL 10 N 1.79 0.13 -0.04 0.52 -7.23 -1.26 -4.35 120.40 109.96 11gs s VAL 10 Ca 0.55 -1.09 -0.14 0.00 -1.81 0.00 0.00 61.98 59.50 11gs s VAL 10 Cb 0.15 -1.25 -0.08 0.00 0.56 0.00 0.00 36.38 35.77 11gs s VAL 10 CO -0.07 -0.60 0.60 0.03 -0.31 0.00 0.00 175.10 174.75 11gs h ARG 11 N 2.85 -0.48 0.00 4.82 3.08 -1.20 -3.45 114.38 120.00 11gs h ARG 11 Ca -0.34 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.75 11gs h ARG 11 Cb 1.20 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.36 11gs h ARG 11 CO 0.54 -0.32 0.00 0.41 -1.07 0.00 0.00 179.97 179.53 11gs n GLY 12 N 0.46 2.12 0.00 0.04 0.00 -0.10 -0.85 105.19 106.86 11gs n GLY 12 Ca -0.06 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.00 11gs n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 11gs n ARG 13 N 11.87 0.77 -0.00 1.61 1.74 -1.26 -2.74 116.66 128.64 11gs n ARG 13 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 11gs n ARG 13 Cb 0.00 -1.16 -0.07 0.00 -1.02 0.00 0.00 32.46 30.21 11gs n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 11gs h ALA 15 N 1.25 0.04 0.61 0.00 0.00 -1.22 -0.78 119.26 119.17 11gs h ALA 15 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 11gs h ALA 15 Cb 0.38 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.67 11gs h ALA 15 CO 0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 179.25 178.34 11gs h ALA 16 N 1.07 -0.86 -0.04 0.00 0.00 -1.83 -0.92 119.26 116.67 11gs h ALA 16 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.93 11gs h ALA 16 Cb 0.44 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 11gs h ALA 16 CO -0.48 -0.99 0.04 1.37 0.00 0.00 0.00 179.25 179.19 11gs h LEU 17 N -0.86 0.00 -0.18 0.00 8.10 -1.77 0.23 115.31 120.83 11gs h LEU 17 Ca -0.08 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.75 11gs h LEU 17 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 11gs h LEU 17 CO 0.11 0.00 -0.53 0.03 -4.11 0.00 0.00 178.44 173.94 11gs h ARG 18 N 0.00 0.67 -0.58 0.17 3.08 -0.77 -2.12 114.38 114.83 11gs h ARG 18 Ca 0.02 -0.49 0.03 0.00 0.07 0.00 0.00 59.98 59.61 11gs h ARG 18 Cb 0.09 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 11gs h ARG 18 CO -0.00 1.11 0.35 0.52 -1.07 0.00 0.00 179.97 180.87 11gs h MET 19 N 0.35 0.67 0.62 0.04 2.86 0.79 -1.22 114.93 119.04 11gs h MET 19 Ca -0.02 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 11gs h MET 19 Cb 1.15 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 11gs h MET 19 CO 0.11 0.44 -0.46 1.25 1.06 0.00 0.00 176.91 179.32 11gs h LEU 20 N 0.69 -1.19 -0.33 1.22 6.46 -1.05 0.12 115.31 121.22 11gs h LEU 20 Ca 0.24 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 58.15 11gs h LEU 20 Cb 0.03 0.37 -0.07 0.00 -0.73 0.00 0.00 40.66 40.26 11gs h LEU 20 CO -0.11 -0.67 -0.17 -0.07 -0.62 0.00 0.00 178.44 176.81 11gs h LEU 21 N -1.04 -0.56 0.22 2.25 3.38 -1.15 0.27 115.31 118.68 11gs h LEU 21 Ca -0.08 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.03 11gs h LEU 21 Cb 0.87 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 11gs h LEU 21 CO 0.03 -0.20 -0.24 0.00 0.09 0.00 0.00 178.44 178.12 11gs h ALA 22 N 1.13 -0.48 -0.48 1.53 0.00 -1.04 0.20 119.26 120.13 11gs h ALA 22 Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.04 11gs h ALA 22 Cb 0.37 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 11gs h ALA 22 CO -0.41 -0.80 0.32 0.22 0.00 0.00 0.00 179.25 178.58 11gs h ASP 23 N -0.50 0.46 -0.10 0.00 3.58 -0.26 -0.06 116.42 119.54 11gs h ASP 23 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 11gs h ASP 23 Cb 0.47 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.42 11gs h ASP 23 CO -0.07 0.32 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 11gs n GLN 24 N -4.47 1.35 -1.67 0.28 1.13 0.91 -4.84 117.38 110.07 11gs n GLN 24 Ca 0.05 -0.54 -0.11 0.00 -1.94 0.00 0.00 57.00 54.47 11gs n GLN 24 Cb 0.14 -1.29 -0.03 0.00 0.11 0.00 0.00 30.24 29.17 11gs n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 11gs n GLY 25 N 0.91 0.69 3.88 1.08 0.00 -0.04 -5.01 105.19 106.71 11gs n GLY 25 Ca 0.13 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 11gs n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 11gs s GLN 26 N -3.56 3.77 -0.06 1.61 -1.52 0.64 -5.01 119.66 115.53 11gs s GLN 26 Ca 0.00 0.30 -0.00 0.00 -1.95 0.00 0.00 55.36 53.71 11gs s GLN 26 Cb 0.00 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 30.21 11gs s GLN 26 CO 0.00 0.17 -0.03 -1.12 -0.25 0.00 0.00 175.29 174.06 11gs s SER 27 N -2.80 4.99 0.06 5.90 0.01 -1.26 -4.41 113.70 116.19 11gs s SER 27 Ca 0.48 0.05 -0.13 0.00 1.31 0.00 0.00 55.95 57.66 11gs s SER 27 Cb -0.11 -1.33 0.02 0.00 0.21 0.00 0.00 66.02 64.81 11gs s SER 27 CO 0.26 0.35 0.30 -1.66 0.41 0.00 0.00 173.24 172.90 11gs s TRP 28 N -0.89 -0.08 -0.11 2.43 -2.14 -1.26 -3.96 118.94 112.93 11gs s TRP 28 Ca 0.14 -0.14 -0.06 0.00 2.66 0.00 0.00 56.10 58.71 11gs s TRP 28 Cb -0.11 0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.31 11gs s TRP 28 CO 0.03 -0.54 0.12 0.21 -2.66 0.00 0.00 176.95 174.11 11gs s LYS 29 N -2.97 3.36 -0.31 3.25 2.47 0.02 -4.97 119.74 120.60 11gs s LYS 29 Ca -0.02 -0.18 -0.08 0.00 -1.56 0.00 0.00 55.97 54.13 11gs s LYS 29 Cb 0.01 -3.12 0.01 0.00 -1.46 0.00 0.00 37.83 33.27 11gs s LYS 29 CO -0.06 0.76 0.11 -1.21 0.16 0.00 0.00 175.35 175.12 11gs s GLU 30 N -1.05 3.07 -0.49 4.03 0.41 -1.26 -0.80 118.70 122.62 11gs s GLU 30 Ca 0.15 -0.88 -0.16 0.00 -0.41 0.00 0.00 54.97 53.67 11gs s GLU 30 Cb -0.12 -3.46 0.07 0.00 -1.78 0.00 0.00 34.13 28.84 11gs s GLU 30 CO 0.04 -0.49 0.46 -1.21 -0.49 0.00 0.00 175.26 173.57 11gs s GLU 31 N 1.52 3.01 -0.07 1.61 0.41 -0.06 -4.99 118.70 120.14 11gs s GLU 31 Ca 0.03 -1.28 -0.25 0.00 -0.41 0.00 0.00 54.97 53.05 11gs s GLU 31 Cb -0.18 -4.14 -0.03 0.00 -1.78 0.00 0.00 34.13 28.00 11gs s GLU 31 CO 0.04 -1.10 0.79 0.08 -0.49 0.00 0.00 175.26 174.58 11gs s VAL 32 N 1.87 4.97 -0.16 2.63 1.01 -1.26 -1.84 120.40 127.62 11gs s VAL 32 Ca 0.06 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 63.66 11gs s VAL 32 Cb -0.24 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 11gs s VAL 32 CO 0.07 0.19 -0.08 -0.69 0.00 0.00 0.00 175.10 174.59 11gs s VAL 33 N 1.08 3.31 0.36 2.92 1.01 0.67 -4.95 120.40 124.80 11gs s VAL 33 Ca 0.41 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.87 11gs s VAL 33 Cb -0.18 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 11gs s VAL 33 CO 0.20 0.49 0.55 0.42 0.00 0.00 0.00 175.10 176.75 11gs s THR 34 N 0.72 4.55 0.38 3.92 -4.23 -1.26 -3.96 115.64 115.76 11gs s THR 34 Ca -0.04 -0.66 0.10 0.00 -1.18 0.00 0.00 61.69 59.91 11gs s THR 34 Cb -0.15 -3.64 0.32 0.00 1.34 0.00 0.00 72.50 70.37 11gs s THR 34 CO 0.02 -0.37 1.92 1.62 -0.54 0.00 0.00 174.62 177.27 11gs h VAL 35 N 0.72 0.89 -0.00 2.29 3.04 -1.99 -0.50 116.25 120.70 11gs h VAL 35 Ca -0.48 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 64.99 11gs h VAL 35 Cb 1.24 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 11gs h VAL 35 CO 0.58 0.11 0.00 -0.33 -1.01 0.00 0.00 177.57 176.93 11gs h GLU 36 N 0.63 0.00 -0.66 4.17 3.07 -1.97 0.75 114.58 120.57 11gs h GLU 36 Ca 0.37 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.26 11gs h GLU 36 Cb 0.59 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 11gs h GLU 36 CO -0.14 0.28 0.44 1.15 -1.40 0.00 0.00 179.01 179.34 11gs h THR 37 N -0.28 1.11 -0.05 1.13 2.02 -1.62 -2.40 112.91 112.83 11gs h THR 37 Ca 0.00 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 11gs h THR 37 Cb 0.28 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 11gs h THR 37 CO 0.00 0.15 -0.24 -0.25 0.37 0.00 0.00 175.52 175.55 11gs h TRP 38 N 0.82 0.33 0.00 3.16 2.91 -0.94 -3.09 115.95 119.15 11gs h TRP 38 Ca 0.26 -0.15 0.00 0.00 1.13 0.00 0.00 58.89 60.13 11gs h TRP 38 Cb 0.02 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.62 11gs h TRP 38 CO -0.00 0.87 0.00 1.04 -1.03 0.00 0.00 178.44 179.32 11gs n GLN 39 N -4.51 0.24 0.20 2.65 6.02 0.24 -0.84 117.38 121.39 11gs n GLN 39 Ca -0.09 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.09 11gs n GLN 39 Cb 0.46 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.37 11gs n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 11gs h GLU 40 N 0.00 0.00 0.00 -1.09 4.22 -1.35 -3.48 114.58 112.88 11gs h GLU 40 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 11gs h GLU 40 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 11gs h GLU 40 CO 0.00 0.07 0.00 0.41 -2.18 0.00 0.00 179.01 177.31 11gs n GLY 41 N 1.12 2.81 0.34 1.92 0.00 -0.02 -4.91 105.19 106.45 11gs n GLY 41 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 11gs n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 11gs h SER 42 N 0.00 -0.94 -0.53 1.61 4.64 -1.83 -1.16 113.55 115.34 11gs h SER 42 Ca 0.00 0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 11gs h SER 42 Cb 0.00 0.37 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 11gs h SER 42 CO 0.00 -0.39 -0.14 0.25 -0.87 0.00 0.00 176.83 175.68 11gs h LEU 43 N -0.50 1.04 -0.68 5.97 7.12 -1.88 -2.92 115.31 123.46 11gs h LEU 43 Ca 0.05 -0.36 0.07 0.00 0.13 0.00 0.00 57.88 57.77 11gs h LEU 43 Cb 0.56 -0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.35 11gs h LEU 43 CO -0.23 1.16 0.36 0.50 -0.13 0.00 0.00 178.44 180.10 11gs h LYS 44 N 0.91 0.62 -0.27 1.25 3.64 -1.77 -1.51 116.57 119.44 11gs h LYS 44 Ca 0.13 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 11gs h LYS 44 Cb 0.71 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 11gs h LYS 44 CO 0.05 0.41 -0.13 0.00 -2.27 0.00 0.00 179.45 177.52 11gs h ALA 45 N 1.38 1.29 0.00 5.00 0.00 -1.11 -2.57 119.26 123.26 11gs h ALA 45 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.97 11gs h ALA 45 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 11gs h ALA 45 CO -0.22 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 11gs n SER 46 N -4.21 0.08 -4.73 0.00 3.41 -0.61 -4.77 113.62 102.79 11gs n SER 46 Ca 0.00 0.51 -0.40 0.00 -0.26 0.00 0.00 58.87 58.72 11gs n SER 46 Cb 0.31 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 11gs n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 11gs h LEU 48 N 6.35 -0.62 -3.35 0.00 5.85 -1.86 0.59 115.31 122.26 11gs h LEU 48 Ca -0.42 0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.39 11gs h LEU 48 Cb 1.20 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 11gs h LEU 48 CO 0.74 -0.24 -0.00 -1.22 -0.34 0.00 0.00 178.44 177.37 11gs n TYR 49 N -5.47 1.14 -2.30 1.25 4.01 -1.26 -4.96 117.16 109.58 11gs n TYR 49 Ca 0.12 -1.34 -0.16 0.00 -0.16 0.00 0.00 57.90 56.36 11gs n TYR 49 Cb 0.42 -0.45 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 11gs n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 11gs n GLY 50 N -0.90 -0.24 3.21 2.72 0.00 0.20 -4.95 105.19 105.23 11gs n GLY 50 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 11gs n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 11gs s GLN 51 N -4.82 0.91 0.36 1.61 -0.21 -1.26 -4.91 119.66 111.34 11gs s GLN 51 Ca 0.00 -1.15 0.08 0.00 0.02 0.00 0.00 55.36 54.30 11gs s GLN 51 Cb 0.00 0.31 -0.04 0.00 1.00 0.00 0.00 33.01 34.28 11gs s GLN 51 CO 0.00 -0.28 0.19 -0.51 -2.12 0.00 0.00 175.29 172.57 11gs s LEU 52 N -2.94 3.28 0.63 2.90 1.43 -1.26 -4.66 118.68 118.07 11gs s LEU 52 Ca 0.12 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 11gs s LEU 52 Cb 0.05 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 11gs s LEU 52 CO -0.05 -0.40 1.16 -2.16 0.23 0.00 0.00 176.35 175.13 11gs s PRO 53 N -3.91 2.81 0.04 1.29 0.04 -1.26 -4.94 135.00 129.07 11gs s PRO 53 Ca 0.40 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.15 11gs s PRO 53 Cb -0.02 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 11gs s PRO 53 CO 0.24 -1.29 -0.22 0.21 0.04 0.00 0.00 177.00 175.98 11gs s LYS 54 N -3.69 1.95 0.03 4.56 2.20 -0.44 -3.84 119.74 120.50 11gs s LYS 54 Ca 0.73 -1.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 11gs s LYS 54 Cb -0.26 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.95 11gs s LYS 54 CO 0.37 0.53 -0.08 0.12 -0.36 0.00 0.00 175.35 175.93 11gs s PHE 55 N -0.87 0.71 -0.05 4.03 5.36 0.09 -0.65 117.98 126.59 11gs s PHE 55 Ca 0.13 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 11gs s PHE 55 Cb -0.10 -0.43 0.01 0.00 -0.34 0.00 0.00 43.02 42.16 11gs s PHE 55 CO 0.04 -0.04 -0.09 -0.65 -1.46 0.00 0.00 175.22 173.02 11gs s GLN 56 N -0.99 1.29 -0.41 10.12 -0.21 -0.19 -0.37 119.66 128.91 11gs s GLN 56 Ca -0.04 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.06 11gs s GLN 56 Cb -0.07 -1.13 0.13 0.00 1.00 0.00 0.00 33.01 32.94 11gs s GLN 56 CO 0.00 0.02 0.21 0.34 -2.12 0.00 0.00 175.29 173.74 11gs s ASP 57 N 0.63 3.63 0.84 5.90 -1.08 -0.27 -1.51 116.67 124.81 11gs s ASP 57 Ca -0.11 -2.41 0.00 0.00 -0.52 0.00 0.00 52.55 49.50 11gs s ASP 57 Cb -0.14 -0.93 0.00 0.00 -1.46 0.00 0.00 42.92 40.39 11gs s ASP 57 CO 0.02 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.02 11gs n GLY 58 N 3.81 1.36 0.78 2.66 0.00 -1.10 -1.98 105.19 110.71 11gs n GLY 58 Ca 0.07 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.55 11gs n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 11gs n ASP 59 N 4.60 2.26 -4.58 1.61 5.75 -1.26 -4.80 116.55 120.14 11gs n ASP 59 Ca 0.00 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.40 11gs n ASP 59 Cb 0.00 -0.26 -0.06 0.00 -1.03 0.00 0.00 41.12 39.77 11gs n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 11gs s LEU 60 N -1.09 4.20 -0.20 -2.12 0.20 -0.84 -5.03 118.68 113.80 11gs s LEU 60 Ca 0.30 0.23 -0.09 0.00 0.69 0.00 0.00 54.13 55.26 11gs s LEU 60 Cb 0.16 -2.91 -0.05 0.00 -0.43 0.00 0.00 46.19 42.96 11gs s LEU 60 CO 0.21 -0.68 0.10 -0.89 -0.29 0.00 0.00 176.35 174.81 11gs s THR 61 N 2.92 5.10 0.19 3.68 2.01 -1.26 -1.11 115.64 127.16 11gs s THR 61 Ca 0.28 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.45 11gs s THR 61 Cb -0.14 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 11gs s THR 61 CO 0.16 0.43 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.58 11gs s LEU 62 N 0.53 2.48 0.20 4.42 1.43 0.50 -4.98 118.68 123.26 11gs s LEU 62 Ca 0.06 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 11gs s LEU 62 Cb -0.12 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 11gs s LEU 62 CO 0.00 -0.05 0.02 -0.31 0.23 0.00 0.00 176.35 176.24 11gs s TYR 63 N -2.27 1.35 0.00 0.29 2.02 -1.26 -0.73 117.35 116.74 11gs s TYR 63 Ca 0.19 -1.02 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 11gs s TYR 63 Cb -0.05 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 11gs s TYR 63 CO 0.08 -0.19 0.00 1.04 -1.57 0.00 0.00 175.55 174.91 11gs n GLN 64 N -0.32 -0.18 -0.30 -0.62 1.13 -1.25 -4.53 117.38 111.32 11gs n GLN 64 Ca -0.05 0.61 0.11 0.00 -1.94 0.00 0.00 57.00 55.73 11gs n GLN 64 Cb 0.64 -0.63 0.27 0.00 0.11 0.00 0.00 30.24 30.63 11gs n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 11gs h SER 65 N 0.14 0.35 0.78 1.08 4.64 -1.87 0.14 113.55 118.82 11gs h SER 65 Ca 0.00 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 11gs h SER 65 Cb 0.00 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 11gs h SER 65 CO 0.00 0.06 -0.22 0.78 -0.87 0.00 0.00 176.83 176.58 11gs h ASN 66 N 0.45 0.00 -0.08 4.97 4.21 -1.91 0.69 115.58 123.91 11gs h ASN 66 Ca 0.52 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.83 11gs h ASN 66 Cb 0.91 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 11gs h ASN 66 CO -0.48 0.22 -0.69 0.74 -1.29 0.00 0.00 177.43 175.93 11gs h THR 67 N 0.00 1.30 -0.08 2.81 2.02 -0.98 0.61 112.91 118.59 11gs h THR 67 Ca -0.00 -1.93 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 11gs h THR 67 Cb 0.67 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 11gs h THR 67 CO 0.03 0.61 0.01 0.40 0.37 0.00 0.00 175.52 176.94 11gs h ILE 68 N 0.51 1.22 -0.14 3.11 2.04 -0.58 0.15 117.51 123.81 11gs h ILE 68 Ca -0.03 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.19 11gs h ILE 68 Cb 1.29 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 11gs h ILE 68 CO 0.14 0.19 -0.12 -0.07 0.00 0.00 0.00 178.15 178.29 11gs h LEU 69 N -0.10 -0.39 -0.52 1.44 3.38 -0.82 0.83 115.31 119.13 11gs h LEU 69 Ca 0.03 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 11gs h LEU 69 Cb 0.29 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 11gs h LEU 69 CO 0.00 -0.16 0.25 0.03 0.09 0.00 0.00 178.44 178.65 11gs h ARG 70 N -0.14 0.75 -0.18 1.13 3.08 -0.78 0.14 114.38 118.37 11gs h ARG 70 Ca 0.09 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.07 11gs h ARG 70 Cb 0.28 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 11gs h ARG 70 CO -0.22 0.62 -0.05 1.25 -1.07 0.00 0.00 179.97 180.50 11gs h HIS 71 N 0.69 -0.10 -0.77 3.04 2.76 -0.06 0.15 115.15 120.87 11gs h HIS 71 Ca 0.18 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 11gs h HIS 71 Cb 0.12 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 11gs h HIS 71 CO -0.01 -0.08 0.32 -0.07 -1.30 0.00 0.00 177.93 176.79 11gs h LEU 72 N -0.00 1.05 -1.03 0.26 4.07 -0.62 -0.97 115.31 118.08 11gs h LEU 72 Ca 0.09 -0.15 -0.08 0.00 0.08 0.00 0.00 57.88 57.81 11gs h LEU 72 Cb 0.14 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 11gs h LEU 72 CO -0.19 0.93 -0.21 1.23 -1.08 0.00 0.00 178.44 179.11 11gs h GLY 73 N 1.15 0.48 0.36 0.83 0.00 -0.27 0.16 103.07 105.77 11gs h GLY 73 Ca 0.26 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 11gs h GLY 73 CO -0.02 0.34 -0.00 -0.09 0.00 0.00 0.00 176.54 176.76 11gs h ARG 74 N 0.40 0.00 0.00 4.80 2.43 -0.34 0.38 114.38 122.06 11gs h ARG 74 Ca 0.06 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 11gs h ARG 74 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 11gs h ARG 74 CO 0.04 0.65 -0.29 1.79 -1.51 0.00 0.00 179.97 180.65 11gs h THR 75 N -0.64 0.61 -0.02 0.20 1.35 -1.11 -3.18 112.91 110.13 11gs h THR 75 Ca -0.00 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 11gs h THR 75 Cb 0.65 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 11gs h THR 75 CO 0.00 0.28 -0.33 0.18 -0.25 0.00 0.00 175.52 175.41 11gs n LEU 76 N -3.33 2.19 -0.89 3.87 7.99 0.54 -5.00 117.00 122.36 11gs n LEU 76 Ca 0.01 -0.82 -0.03 0.00 -0.01 0.00 0.00 56.01 55.15 11gs n LEU 76 Cb 0.52 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.84 11gs n LEU 76 CO 0.35 0.40 0.03 0.61 -1.51 0.00 0.00 177.39 177.27 11gs n GLY 77 N 1.33 0.70 2.13 -0.72 0.00 -0.76 -4.97 105.19 102.90 11gs n GLY 77 Ca 0.10 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 11gs n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 11gs n LEU 78 N -1.09 5.22 -1.26 0.99 4.77 0.13 -4.75 117.00 121.01 11gs n LEU 78 Ca -0.00 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 11gs n LEU 78 Cb 0.51 -0.43 0.11 0.00 -2.33 0.00 0.00 43.42 41.28 11gs n LEU 78 CO 0.09 2.06 0.22 0.00 -1.33 0.00 0.00 177.39 178.42 11gs n TYR 79 N -0.70 0.51 0.00 -1.77 4.19 -1.18 -1.45 117.16 116.77 11gs n TYR 79 Ca 0.45 -1.38 0.00 0.00 3.31 0.00 0.00 57.90 60.29 11gs n TYR 79 Cb 0.88 -0.23 0.00 0.00 0.49 0.00 0.00 39.34 40.48 11gs n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 11gs n GLY 80 N -0.55 -0.84 0.06 2.98 0.00 -1.26 -3.87 105.19 101.71 11gs n GLY 80 Ca 0.18 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.68 11gs n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 11gs n LYS 81 N -0.68 0.30 -3.45 1.61 2.85 -1.26 -4.85 118.16 112.68 11gs n LYS 81 Ca 0.00 0.08 -0.09 0.00 -1.05 0.00 0.00 58.31 57.25 11gs n LYS 81 Cb 0.00 -1.68 0.01 0.00 -0.65 0.00 0.00 35.03 32.71 11gs n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 11gs n ASP 82 N -2.11 -1.72 -0.20 -5.58 5.68 -1.26 -5.03 116.55 106.33 11gs n ASP 82 Ca 0.03 -2.44 0.02 0.00 -0.50 0.00 0.00 54.79 51.89 11gs n ASP 82 Cb 0.44 2.94 0.27 0.00 -1.14 0.00 0.00 41.12 43.63 11gs n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 11gs h GLN 83 N 0.00 0.92 0.60 0.11 4.20 -1.93 0.02 115.11 119.03 11gs h GLN 83 Ca -0.27 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 11gs h GLN 83 Cb 1.04 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.62 11gs h GLN 83 CO 0.35 0.61 -0.29 0.37 -0.67 0.00 0.00 178.83 179.20 11gs h GLN 84 N 0.95 -0.77 -0.83 1.46 4.15 -1.98 -1.54 115.11 116.56 11gs h GLN 84 Ca 0.27 0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.77 11gs h GLN 84 Cb -0.05 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 11gs h GLN 84 CO -0.07 -0.50 0.55 0.93 -1.93 0.00 0.00 178.83 177.81 11gs h GLU 85 N -0.83 1.04 -0.77 1.69 5.08 -1.82 -1.05 114.58 117.92 11gs h GLU 85 Ca -0.08 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 11gs h GLU 85 Cb 0.63 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 11gs h GLU 85 CO 0.13 0.69 0.45 0.00 -1.00 0.00 0.00 179.01 179.28 11gs h ALA 86 N 1.50 1.06 -0.44 3.43 0.00 -0.71 0.32 119.26 124.42 11gs h ALA 86 Ca 0.32 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 11gs h ALA 86 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 11gs h ALA 86 CO -0.08 0.13 0.01 0.00 0.00 0.00 0.00 179.25 179.30 11gs h ALA 87 N 1.40 0.60 -0.57 0.00 0.00 -0.18 -1.87 119.26 118.64 11gs h ALA 87 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 11gs h ALA 87 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 11gs h ALA 87 CO -0.20 0.38 0.20 -0.07 0.00 0.00 0.00 179.25 179.56 11gs h LEU 88 N 0.62 0.77 -0.57 0.00 3.38 -0.49 -0.26 115.31 118.77 11gs h LEU 88 Ca 0.13 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 11gs h LEU 88 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 11gs h LEU 88 CO 0.02 0.72 0.18 0.58 0.09 0.00 0.00 178.44 180.03 11gs h VAL 89 N 0.82 1.24 -0.22 1.22 2.07 -0.09 -1.60 116.25 119.68 11gs h VAL 89 Ca 0.19 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 11gs h VAL 89 Cb 0.21 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 11gs h VAL 89 CO -0.01 0.30 0.09 0.44 0.02 0.00 0.00 177.57 178.41 11gs h ASP 90 N 0.79 0.31 -0.83 0.57 3.32 -0.79 -0.75 116.42 119.04 11gs h ASP 90 Ca 0.18 -0.16 0.12 0.00 0.02 0.00 0.00 57.03 57.19 11gs h ASP 90 Cb 0.27 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.66 11gs h ASP 90 CO -0.01 0.38 0.45 -0.03 -1.72 0.00 0.00 179.24 178.31 11gs h MET 91 N 0.21 0.68 -0.03 3.56 4.05 -0.68 0.39 114.93 123.12 11gs h MET 91 Ca 0.08 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 11gs h MET 91 Cb 0.17 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 11gs h MET 91 CO -0.01 0.45 -0.02 0.28 0.23 0.00 0.00 176.91 177.85 11gs h VAL 92 N 0.70 1.34 -0.83 -5.77 2.07 -1.01 -2.53 116.25 110.22 11gs h VAL 92 Ca 0.43 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.92 11gs h VAL 92 Cb 0.50 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 11gs h VAL 92 CO -0.30 0.28 0.53 -1.13 0.02 0.00 0.00 177.57 176.97 11gs h ASN 93 N -0.35 0.88 -0.93 0.57 -0.73 -0.11 -0.62 115.58 114.28 11gs h ASN 93 Ca 0.01 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 11gs h ASN 93 Cb 0.47 -0.19 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 11gs h ASN 93 CO 0.01 0.60 0.59 0.44 -0.37 0.00 0.00 177.43 178.69 11gs h ASP 94 N 1.03 1.09 -0.61 1.15 5.19 -0.26 0.13 116.42 124.14 11gs h ASP 94 Ca 0.34 -0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.60 11gs h ASP 94 Cb 0.03 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.24 11gs h ASP 94 CO -0.12 0.82 -0.00 1.23 -3.12 0.00 0.00 179.24 178.04 11gs h GLY 95 N 1.28 1.17 0.96 2.75 0.00 -0.85 -0.79 103.07 107.58 11gs h GLY 95 Ca 0.34 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 11gs h GLY 95 CO -0.07 0.79 0.17 -2.08 0.00 0.00 0.00 176.54 175.36 11gs h VAL 96 N 0.98 1.12 -0.48 4.60 2.07 -0.33 -1.92 116.25 122.30 11gs h VAL 96 Ca 0.17 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.43 11gs h VAL 96 Cb 0.57 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 11gs h VAL 96 CO 0.03 0.12 0.23 -0.08 0.02 0.00 0.00 177.57 177.90 11gs h GLU 97 N 0.38 0.44 -0.44 1.57 4.57 -0.47 0.23 114.58 120.86 11gs h GLU 97 Ca 0.11 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 11gs h GLU 97 Cb 0.04 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 11gs h GLU 97 CO -0.02 0.29 0.21 -0.44 -1.18 0.00 0.00 179.01 177.87 11gs h ASP 98 N 0.46 0.28 0.35 1.04 3.32 -0.81 -0.69 116.42 120.36 11gs h ASP 98 Ca 0.21 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 11gs h ASP 98 Cb 0.14 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 11gs h ASP 98 CO -0.16 0.20 -0.56 0.25 -1.72 0.00 0.00 179.24 177.25 11gs h LEU 99 N 0.41 0.25 -0.96 1.55 5.85 -0.68 -2.91 115.31 118.82 11gs h LEU 99 Ca 0.20 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 11gs h LEU 99 Cb 0.13 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 11gs h LEU 99 CO -0.15 0.76 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.40 11gs h ARG 100 N 0.17 0.51 -0.60 1.25 2.43 0.13 -0.88 114.38 117.39 11gs h ARG 100 Ca -0.00 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 11gs h ARG 100 Cb 1.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 11gs h ARG 100 CO 0.09 0.69 0.04 0.00 -1.51 0.00 0.00 179.97 179.28 11gs h LYS 102 N 0.94 0.83 0.25 0.00 1.57 -1.30 0.30 116.57 119.16 11gs h LYS 102 Ca 0.18 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 11gs h LYS 102 Cb 0.51 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 11gs h LYS 102 CO 0.02 0.92 -0.15 -0.92 -0.57 0.00 0.00 179.45 178.76 11gs h TYR 103 N 0.66 -0.38 -0.50 -1.35 3.20 -0.88 -0.31 116.97 117.41 11gs h TYR 103 Ca 0.12 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.04 11gs h TYR 103 Cb 0.59 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 11gs h TYR 103 CO 0.05 -0.23 0.21 0.82 -1.64 0.00 0.00 178.16 177.36 11gs h ILE 104 N -0.38 0.88 -0.51 1.81 2.04 -0.42 -0.64 117.51 120.29 11gs h ILE 104 Ca -0.03 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.75 11gs h ILE 104 Cb 0.31 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 11gs h ILE 104 CO 0.03 0.07 0.22 -1.28 0.00 0.00 0.00 178.15 177.20 11gs h SER 105 N 0.41 0.28 0.87 1.72 0.87 -0.53 -1.01 113.55 116.16 11gs h SER 105 Ca 0.23 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 11gs h SER 105 Cb 0.20 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 11gs h SER 105 CO -0.21 0.19 -0.43 0.25 -0.53 0.00 0.00 176.83 176.10 11gs h LEU 106 N 0.43 -1.04 -0.97 2.23 5.85 -0.05 0.78 115.31 122.55 11gs h LEU 106 Ca 0.24 0.04 0.25 0.00 0.84 0.00 0.00 57.88 59.25 11gs h LEU 106 Cb 0.21 0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.38 11gs h LEU 106 CO -0.21 -0.72 0.53 0.40 -0.34 0.00 0.00 178.44 178.10 11gs h ILE 107 N -1.19 0.47 0.00 4.05 1.08 -0.73 -1.42 117.51 119.77 11gs h ILE 107 Ca -0.12 -0.16 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 11gs h ILE 107 Cb 0.92 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 11gs h ILE 107 CO 0.18 0.09 -1.80 -1.22 -0.69 0.00 0.00 178.15 174.71 11gs n TYR 108 N -4.97 0.00 -0.10 1.37 4.01 -0.42 -4.60 117.16 112.45 11gs n TYR 108 Ca 0.27 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.78 11gs n TYR 108 Cb 0.77 -0.46 -0.12 0.00 -0.31 0.00 0.00 39.34 39.22 11gs n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 11gs n THR 109 N -2.18 1.57 -2.74 -0.72 -1.04 0.27 -4.87 114.28 104.56 11gs n THR 109 Ca -0.09 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.05 61.38 11gs n THR 109 Cb 0.57 -1.68 0.05 0.00 -1.82 0.00 0.00 70.33 67.44 11gs n THR 109 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 11gs n ASN 110 N -3.72 -2.74 0.17 8.00 2.04 -0.92 -5.02 115.26 113.08 11gs n ASN 110 Ca -0.44 -3.15 -0.14 0.00 -0.44 0.00 0.00 54.58 50.41 11gs n ASN 110 Cb 0.94 1.72 -0.08 0.00 -2.53 0.00 0.00 39.78 39.83 11gs n ASN 110 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 11gs h TYR 111 N 3.92 -0.37 -0.20 -2.53 5.03 -1.53 -1.17 116.97 120.12 11gs h TYR 111 Ca -0.16 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.13 11gs h TYR 111 Cb 1.05 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 11gs h TYR 111 CO -0.00 -0.16 0.09 0.93 -1.32 0.00 0.00 178.16 177.70 11gs h GLU 112 N -0.49 0.30 -0.13 1.82 3.07 -1.95 -2.03 114.58 115.16 11gs h GLU 112 Ca -0.04 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.57 11gs h GLU 112 Cb 0.37 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.24 11gs h GLU 112 CO 0.07 0.33 -0.71 0.00 -1.40 0.00 0.00 179.01 177.29 11gs h ALA 113 N 0.95 0.26 -0.01 3.43 0.00 -1.98 -3.37 119.26 118.55 11gs h ALA 113 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.40 11gs h ALA 113 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 11gs h ALA 113 CO -0.01 0.60 -0.39 0.41 0.00 0.00 0.00 179.25 179.86 11gs n GLY 114 N 0.73 -0.30 0.21 0.00 0.00 -0.44 -4.49 105.19 100.89 11gs n GLY 114 Ca -0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 11gs n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 11gs h LYS 115 N 1.78 0.37 0.03 1.61 3.64 -1.52 0.61 116.57 123.09 11gs h LYS 115 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 11gs h LYS 115 Cb 0.63 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 11gs h LYS 115 CO 0.00 0.24 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.93 11gs h ASP 116 N 0.38 -0.15 -0.42 4.20 3.32 -1.85 0.36 116.42 122.25 11gs h ASP 116 Ca 0.25 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 11gs h ASP 116 Cb 0.28 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 11gs h ASP 116 CO -0.25 -0.08 0.17 0.44 -1.72 0.00 0.00 179.24 177.79 11gs h ASP 117 N -0.11 0.62 -0.10 6.45 3.32 -1.74 -0.40 116.42 124.46 11gs h ASP 117 Ca 0.01 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 11gs h ASP 117 Cb 0.12 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 11gs h ASP 117 CO -0.04 0.58 -0.01 0.22 -1.72 0.00 0.00 179.24 178.28 11gs h TYR 118 N 0.68 0.19 -0.25 4.55 5.03 -0.32 -1.59 116.97 125.26 11gs h TYR 118 Ca 0.16 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.38 11gs h TYR 118 Cb 0.16 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 11gs h TYR 118 CO 0.01 0.45 -0.08 0.28 -1.32 0.00 0.00 178.16 177.50 11gs h VAL 119 N -0.12 1.19 -0.42 1.81 2.07 -0.65 -0.00 116.25 120.13 11gs h VAL 119 Ca 0.03 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 11gs h VAL 119 Cb 0.38 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 11gs h VAL 119 CO 0.01 0.27 -0.18 0.11 0.02 0.00 0.00 177.57 177.80 11gs h LYS 120 N 0.37 0.81 0.00 1.57 1.57 -0.85 -3.01 116.57 117.04 11gs h LYS 120 Ca 0.08 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 11gs h LYS 120 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.64 11gs h LYS 120 CO 0.02 0.93 -0.06 0.00 -0.57 0.00 0.00 179.45 179.77 11gs h ALA 121 N 1.08 0.97 -0.62 3.86 0.00 -0.51 -3.39 119.26 120.65 11gs h ALA 121 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.12 11gs h ALA 121 Cb 0.69 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 11gs h ALA 121 CO 0.05 0.00 -0.34 -0.07 0.00 0.00 0.00 179.25 178.89 11gs h LEU 122 N 0.00 -1.19 -0.88 0.00 3.38 -0.88 -2.21 115.31 113.53 11gs h LEU 122 Ca 0.00 0.23 0.20 0.00 0.09 0.00 0.00 57.88 58.40 11gs h LEU 122 Cb 0.98 0.59 -0.16 0.00 0.09 0.00 0.00 40.66 42.16 11gs h LEU 122 CO 0.00 -0.30 -0.11 -0.65 0.09 0.00 0.00 178.44 177.47 11gs h PRO 123 N -0.15 0.03 0.00 1.13 0.11 -1.77 0.49 132.00 131.83 11gs h PRO 123 Ca 0.24 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.29 11gs h PRO 123 Cb 0.55 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 11gs h PRO 123 CO -0.70 0.02 -0.27 0.78 -0.21 0.00 0.00 178.00 177.62 11gs h GLY 124 N 0.03 0.00 2.00 -0.55 0.00 -1.70 0.48 103.07 103.32 11gs h GLY 124 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.66 11gs h GLY 124 CO -0.86 0.00 -0.66 1.46 0.00 0.00 0.00 176.54 176.48 11gs h GLN 125 N 0.00 0.00 0.04 4.80 1.08 0.02 -3.30 115.11 117.75 11gs h GLN 125 Ca -0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.90 11gs h GLN 125 Cb 0.49 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 11gs h GLN 125 CO 0.04 0.66 -1.63 -0.07 -0.95 0.00 0.00 178.83 176.87 11gs h LEU 126 N 0.00 0.12 -0.95 1.46 3.38 -0.63 -3.39 115.31 115.30 11gs h LEU 126 Ca -0.01 -0.22 0.29 0.00 0.09 0.00 0.00 57.88 58.03 11gs h LEU 126 Cb 1.43 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.98 11gs h LEU 126 CO 0.09 1.19 0.20 0.50 0.09 0.00 0.00 178.44 180.50 11gs h LYS 127 N 0.02 0.08 -0.70 1.13 3.64 -0.99 -0.47 116.57 119.28 11gs h LYS 127 Ca -0.26 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.20 11gs h LYS 127 Cb 1.99 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.74 11gs h LYS 127 CO 0.10 0.05 0.46 -1.35 -2.27 0.00 0.00 179.45 176.44 11gs h PRO 128 N 0.08 0.62 -0.00 1.90 0.11 -1.75 -1.27 132.00 131.68 11gs h PRO 128 Ca 0.63 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.52 11gs h PRO 128 Cb 1.38 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 11gs h PRO 128 CO -0.80 0.41 -0.82 0.74 -0.21 0.00 0.00 178.00 177.31 11gs h PHE 129 N 0.63 0.15 -0.29 0.65 0.04 -1.36 -1.32 116.94 115.45 11gs h PHE 129 Ca 0.31 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.92 11gs h PHE 129 Cb 0.40 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 11gs h PHE 129 CO -0.00 0.88 -0.14 1.49 -0.60 0.00 0.00 178.31 179.93 11gs h GLU 130 N 0.06 0.60 -0.19 1.51 4.57 -1.32 -1.96 114.58 117.85 11gs h GLU 130 Ca -0.02 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 11gs h GLU 130 Cb 1.44 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 11gs h GLU 130 CO 0.12 0.84 0.12 1.15 -1.18 0.00 0.00 179.01 180.06 11gs h THR 131 N 0.35 1.05 -0.63 0.32 2.02 -1.15 -0.18 112.91 114.69 11gs h THR 131 Ca 0.06 -0.09 0.10 0.00 0.77 0.00 0.00 66.41 67.26 11gs h THR 131 Cb 0.66 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 11gs h THR 131 CO 0.04 0.05 0.23 -0.07 0.37 0.00 0.00 175.52 176.14 11gs h LEU 132 N 0.25 0.20 -0.39 2.58 3.38 -1.16 -1.90 115.31 118.28 11gs h LEU 132 Ca 0.07 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 11gs h LEU 132 Cb -0.03 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 11gs h LEU 132 CO -0.01 0.11 0.23 0.25 0.09 0.00 0.00 178.44 179.11 11gs h LEU 133 N 0.39 0.47 -2.33 1.67 5.85 -0.52 -2.25 115.31 118.58 11gs h LEU 133 Ca 0.33 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 11gs h LEU 133 Cb 0.43 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 11gs h LEU 133 CO -0.34 0.39 -0.01 0.77 -0.34 0.00 0.00 178.44 178.91 11gs h SER 134 N 0.51 0.00 0.21 1.25 4.64 -0.30 0.14 113.55 120.00 11gs h SER 134 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 11gs h SER 134 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 11gs h SER 134 CO -0.03 0.01 -0.23 0.00 -0.87 0.00 0.00 176.83 175.71 11gs n GLN 135 N -3.15 0.93 -3.91 4.77 6.02 -0.86 -4.00 117.38 117.17 11gs n GLN 135 Ca -0.02 -0.55 -0.30 0.00 -0.01 0.00 0.00 57.00 56.13 11gs n GLN 135 Cb 0.17 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 29.80 11gs n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 11gs s ASN 136 N -2.45 4.21 -1.49 1.08 3.04 -0.65 -4.81 114.94 113.87 11gs s ASN 136 Ca 0.26 -2.88 -0.12 0.00 0.04 0.00 0.00 52.86 50.15 11gs s ASN 136 Cb 0.19 -1.52 0.08 0.00 -1.54 0.00 0.00 41.25 38.46 11gs s ASN 136 CO 0.50 -0.25 0.88 0.00 -3.04 0.00 0.00 177.10 175.19 11gs n GLN 137 N 3.27 -5.19 -1.97 0.43 6.02 -1.26 -1.56 117.38 117.11 11gs n GLN 137 Ca 0.05 0.61 -0.18 0.00 -0.01 0.00 0.00 57.00 57.48 11gs n GLN 137 Cb 0.33 -5.48 -0.04 0.00 1.02 0.00 0.00 30.24 26.07 11gs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 11gs n GLY 138 N -1.60 0.56 2.37 1.08 0.00 -1.26 -2.12 105.19 104.23 11gs n GLY 138 Ca 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 11gs n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 11gs n GLY 139 N -0.93 1.11 0.08 -0.02 0.00 0.38 -4.80 105.19 101.01 11gs n GLY 139 Ca -0.19 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 11gs n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 11gs h LYS 140 N 0.07 0.00 0.00 1.61 6.56 -1.57 -3.45 116.57 119.79 11gs h LYS 140 Ca -0.20 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 11gs h LYS 140 Cb 0.72 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 11gs h LYS 140 CO 0.29 0.90 0.00 0.25 -2.06 0.00 0.00 179.45 178.83 11gs n THR 141 N -3.42 0.00 -4.64 -0.16 -2.24 -1.26 -5.08 114.28 97.48 11gs n THR 141 Ca -0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 11gs n THR 141 Cb 0.87 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.94 11gs n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 11gs s PHE 142 N 0.79 1.82 0.42 4.78 0.08 -1.25 -5.03 117.98 119.59 11gs s PHE 142 Ca 0.00 -1.14 0.18 0.00 0.12 0.00 0.00 56.93 56.09 11gs s PHE 142 Cb 0.00 -1.38 1.07 0.00 -0.57 0.00 0.00 43.02 42.15 11gs s PHE 142 CO 0.00 -0.05 1.98 0.97 -0.10 0.00 0.00 175.22 178.02 11gs h ILE 143 N 1.56 1.00 -3.03 0.64 6.09 -1.96 -3.42 117.51 118.39 11gs h ILE 143 Ca -0.39 -0.72 -0.22 0.00 -1.37 0.00 0.00 64.86 62.16 11gs h ILE 143 Cb 1.29 1.41 -0.31 0.00 0.47 0.00 0.00 36.82 39.68 11gs h ILE 143 CO 0.65 0.20 -0.52 -0.69 -3.07 0.00 0.00 178.15 174.71 11gs s VAL 144 N -4.43 -0.14 0.00 2.19 1.01 -1.26 -4.72 120.40 113.06 11gs s VAL 144 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.14 11gs s VAL 144 Cb 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.16 11gs s VAL 144 CO 0.67 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.46 11gs n GLY 145 N 4.54 -0.62 0.67 4.51 0.00 -1.26 -4.36 105.19 108.66 11gs n GLY 145 Ca -0.20 -1.11 0.06 0.00 0.00 0.00 0.00 46.02 44.78 11gs n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 11gs n ASP 146 N -1.40 2.77 -4.34 1.61 5.68 -1.26 -3.86 116.55 115.75 11gs n ASP 146 Ca 0.00 -1.86 -0.27 0.00 -0.50 0.00 0.00 54.79 52.16 11gs n ASP 146 Cb 0.00 -0.19 -0.13 0.00 -1.14 0.00 0.00 41.12 39.66 11gs n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 11gs s GLN 147 N -1.02 1.30 0.61 0.11 -2.07 -1.26 -4.83 119.66 112.50 11gs s GLN 147 Ca 0.23 -1.24 -0.17 0.00 -1.82 0.00 0.00 55.36 52.36 11gs s GLN 147 Cb 0.13 -1.67 -0.02 0.00 -1.09 0.00 0.00 33.01 30.36 11gs s GLN 147 CO 0.17 0.40 1.12 -1.50 -1.32 0.00 0.00 175.29 174.16 11gs s ILE 148 N -1.08 3.22 0.15 3.63 2.07 -1.26 -4.80 121.20 123.13 11gs s ILE 148 Ca 0.10 0.64 -0.01 0.00 -1.41 0.00 0.00 60.65 59.97 11gs s ILE 148 Cb -0.10 -3.18 -0.04 0.00 0.13 0.00 0.00 42.46 39.27 11gs s ILE 148 CO 0.05 -0.28 0.09 -0.94 -1.91 0.00 0.00 174.94 171.94 11gs s SER 149 N -2.27 0.25 0.56 4.50 1.04 -1.26 -4.57 113.70 111.95 11gs s SER 149 Ca 0.69 -1.24 0.24 0.00 0.48 0.00 0.00 55.95 56.12 11gs s SER 149 Cb -0.22 0.33 1.53 0.00 0.10 0.00 0.00 66.02 67.76 11gs s SER 149 CO 0.36 -0.77 2.14 2.19 0.98 0.00 0.00 173.24 178.14 11gs h PHE 150 N 2.78 0.00 -0.19 5.02 -0.00 -1.59 0.19 116.94 123.15 11gs h PHE 150 Ca -0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.57 11gs h PHE 150 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 11gs h PHE 150 CO 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 178.31 178.63 11gs h ALA 151 N 1.90 1.50 0.29 12.09 0.00 -1.86 -2.21 119.26 130.98 11gs h ALA 151 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 11gs h ALA 151 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 11gs h ALA 151 CO -0.00 0.35 -0.14 -0.44 0.00 0.00 0.00 179.25 179.02 11gs h ASP 152 N 0.28 -0.33 -0.66 0.00 3.32 -1.02 0.15 116.42 118.17 11gs h ASP 152 Ca 0.06 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.08 11gs h ASP 152 Cb 0.34 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 11gs h ASP 152 CO 0.02 -0.18 0.43 1.88 -1.72 0.00 0.00 179.24 179.67 11gs h TYR 153 N -0.46 0.83 -0.11 4.55 0.05 -1.53 0.47 116.97 120.77 11gs h TYR 153 Ca -0.04 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 11gs h TYR 153 Cb 0.35 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.81 11gs h TYR 153 CO -0.04 0.53 -0.21 -0.97 -1.05 0.00 0.00 178.16 176.42 11gs h ASN 154 N 0.89 0.38 -0.72 3.88 -0.00 -1.17 -1.70 115.58 117.14 11gs h ASN 154 Ca 0.24 -0.55 -0.07 0.00 -0.00 0.00 0.00 56.30 55.92 11gs h ASN 154 Cb -0.10 -0.11 -0.03 0.00 -0.00 0.00 0.00 38.32 38.09 11gs h ASN 154 CO -0.05 0.86 0.18 0.25 -0.00 0.00 0.00 177.43 178.67 11gs h LEU 155 N -0.09 1.08 -0.11 0.34 5.85 -0.22 -0.80 115.31 121.36 11gs h LEU 155 Ca 0.01 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.51 11gs h LEU 155 Cb 0.79 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 11gs h LEU 155 CO 0.05 1.03 -0.01 0.25 -0.34 0.00 0.00 178.44 179.41 11gs h LEU 156 N 1.08 -0.07 -0.46 2.25 5.85 0.01 0.27 115.31 124.24 11gs h LEU 156 Ca 0.23 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.99 11gs h LEU 156 Cb 0.37 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 11gs h LEU 156 CO 0.00 -0.02 0.29 -0.78 -0.34 0.00 0.00 178.44 177.59 11gs h ASP 157 N 0.02 0.48 -0.33 1.25 3.58 -0.99 0.18 116.42 120.61 11gs h ASP 157 Ca 0.05 -0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.56 11gs h ASP 157 Cb 0.07 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 11gs h ASP 157 CO -0.10 0.34 -0.06 0.25 -2.88 0.00 0.00 179.24 176.79 11gs h LEU 158 N 0.58 -0.27 0.03 2.28 5.85 -0.58 0.21 115.31 123.41 11gs h LEU 158 Ca 0.18 0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.00 11gs h LEU 158 Cb -0.02 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 11gs h LEU 158 CO -0.06 -0.09 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.82 11gs h LEU 159 N 0.02 -0.16 -0.22 2.25 3.38 -0.14 -1.66 115.31 118.79 11gs h LEU 159 Ca 0.16 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.20 11gs h LEU 159 Cb 0.24 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 11gs h LEU 159 CO -0.32 -0.09 -0.12 -0.07 0.09 0.00 0.00 178.44 177.93 11gs h LEU 160 N -0.12 -0.38 -1.79 1.67 3.38 0.08 -0.96 115.31 117.19 11gs h LEU 160 Ca 0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 11gs h LEU 160 Cb 0.13 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 11gs h LEU 160 CO -0.04 -0.15 -0.15 0.16 0.09 0.00 0.00 178.44 178.35 11gs h ILE 161 N -0.09 0.73 -0.00 1.22 3.07 -0.75 -1.57 117.51 120.11 11gs h ILE 161 Ca 0.12 -0.63 -0.17 0.00 1.55 0.00 0.00 64.86 65.73 11gs h ILE 161 Cb 0.27 1.38 -0.02 0.00 -0.27 0.00 0.00 36.82 38.19 11gs h ILE 161 CO -0.28 0.15 -0.80 0.45 -1.05 0.00 0.00 178.15 176.62 11gs h HIS 162 N 0.00 0.10 -0.36 0.16 3.86 -0.24 -2.04 115.15 116.64 11gs h HIS 162 Ca -0.00 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 11gs h HIS 162 Cb 0.37 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 11gs h HIS 162 CO 0.00 0.84 0.03 0.93 0.86 0.00 0.00 177.93 180.59 11gs h GLU 163 N 0.04 0.54 -0.21 2.45 4.39 -0.33 0.57 114.58 122.02 11gs h GLU 163 Ca -0.02 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.41 11gs h GLU 163 Cb 1.41 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 11gs h GLU 163 CO 0.11 0.55 -0.51 0.28 -1.16 0.00 0.00 179.01 178.28 11gs h VAL 164 N 0.52 1.31 -0.06 3.13 2.07 -1.39 -0.67 116.25 121.16 11gs h VAL 164 Ca 0.12 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 11gs h VAL 164 Cb 0.29 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 11gs h VAL 164 CO 0.01 0.54 0.01 0.25 0.02 0.00 0.00 177.57 178.39 11gs h LEU 165 N 0.44 0.10 -6.74 2.57 5.85 -0.53 -3.37 115.31 113.61 11gs h LEU 165 Ca -0.00 -0.28 -0.60 0.00 0.84 0.00 0.00 57.88 57.83 11gs h LEU 165 Cb 1.12 -0.03 -0.40 0.00 0.37 0.00 0.00 40.66 41.72 11gs h LEU 165 CO 0.11 0.36 -0.80 0.00 -0.34 0.00 0.00 178.44 177.77 11gs s ALA 166 N -5.07 2.18 0.01 1.25 0.00 0.19 -5.09 121.76 115.23 11gs s ALA 166 Ca -0.14 -2.79 -0.37 0.00 0.00 0.00 0.00 51.96 48.65 11gs s ALA 166 Cb 0.04 -1.82 -0.16 0.00 0.00 0.00 0.00 23.12 21.18 11gs s ALA 166 CO 0.69 -2.04 1.43 -2.30 0.00 0.00 0.00 175.76 173.53 11gs n PRO 167 N 2.93 1.16 -0.64 0.00 -0.02 -0.26 -1.45 135.00 136.73 11gs n PRO 167 Ca 0.20 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 11gs n PRO 167 Cb 0.40 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 11gs n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 11gs n GLY 168 N 2.89 0.79 0.11 -1.23 0.00 -1.26 -4.91 105.19 101.57 11gs n GLY 168 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 11gs n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 11gs n LEU 170 N -1.99 1.84 -0.15 0.00 4.32 -1.26 -4.32 117.00 115.44 11gs n LEU 170 Ca -0.01 -0.63 0.03 0.00 -0.02 0.00 0.00 56.01 55.38 11gs n LEU 170 Cb 0.03 -0.03 0.32 0.00 -1.62 0.00 0.00 43.42 42.11 11gs n LEU 170 CO 0.07 0.33 1.21 0.44 -1.22 0.00 0.00 177.39 178.22 11gs h ASP 171 N 2.44 0.71 -0.00 -1.43 3.32 -1.13 -0.05 116.42 120.29 11gs h ASP 171 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 11gs h ASP 171 Cb 0.70 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.07 11gs h ASP 171 CO 0.00 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 11gs n ALA 172 N -2.44 2.68 -3.64 3.45 0.00 -1.26 -4.37 120.51 114.93 11gs n ALA 172 Ca 0.07 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 11gs n ALA 172 Cb 0.07 -1.49 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 11gs n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 11gs s PHE 173 N -2.00 2.18 0.24 0.00 0.08 -0.03 -4.99 117.98 113.47 11gs s PHE 173 Ca 0.46 -2.72 -0.04 0.00 0.12 0.00 0.00 56.93 54.75 11gs s PHE 173 Cb 0.21 -1.77 0.44 0.00 -0.57 0.00 0.00 43.02 41.34 11gs s PHE 173 CO 0.35 -0.71 1.76 -1.00 -0.10 0.00 0.00 175.22 175.52 11gs h PRO 174 N 5.76 0.54 -0.37 0.24 0.13 -1.76 -0.39 132.00 136.16 11gs h PRO 174 Ca 0.17 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.24 11gs h PRO 174 Cb 0.85 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 11gs h PRO 174 CO 0.52 0.36 0.13 -0.07 -0.23 0.00 0.00 178.00 178.71 11gs h LEU 175 N 0.56 0.53 -0.26 1.56 4.07 -1.94 -0.22 115.31 119.61 11gs h LEU 175 Ca 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 11gs h LEU 175 Cb 0.55 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 11gs h LEU 175 CO -0.35 0.58 0.12 -0.07 -1.08 0.00 0.00 178.44 177.65 11gs h LEU 176 N 0.45 0.34 0.04 1.67 3.38 -1.75 0.17 115.31 119.61 11gs h LEU 176 Ca 0.12 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.99 11gs h LEU 176 Cb 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 11gs h LEU 176 CO -0.01 0.37 -0.21 0.28 0.09 0.00 0.00 178.44 178.96 11gs h SER 177 N 0.28 -0.60 -0.49 -0.43 0.02 -0.94 0.14 113.55 111.54 11gs h SER 177 Ca 0.09 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 11gs h SER 177 Cb 0.12 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 11gs h SER 177 CO -0.01 -0.28 0.24 0.00 -1.14 0.00 0.00 176.83 175.63 11gs h ALA 178 N 0.49 1.42 0.08 3.77 0.00 -0.79 -1.80 119.26 122.44 11gs h ALA 178 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 11gs h ALA 178 Cb 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.99 11gs h ALA 178 CO -0.16 0.45 -0.04 -0.92 0.00 0.00 0.00 179.25 178.58 11gs h TYR 179 N 0.75 -0.10 -0.15 0.00 3.20 0.16 0.18 116.97 121.00 11gs h TYR 179 Ca 0.18 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.08 11gs h TYR 179 Cb 0.11 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 11gs h TYR 179 CO 0.01 -0.01 -0.04 0.28 -1.64 0.00 0.00 178.16 176.76 11gs h VAL 180 N -0.17 0.84 -0.10 1.81 2.07 -0.35 0.02 116.25 120.37 11gs h VAL 180 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 11gs h VAL 180 Cb 0.14 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 11gs h VAL 180 CO 0.02 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.86 11gs h GLY 181 N -0.01 0.11 0.60 2.17 0.00 -1.09 0.75 103.07 105.61 11gs h GLY 181 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.40 11gs h GLY 181 CO -0.16 0.01 -0.26 -0.09 0.00 0.00 0.00 176.54 176.04 11gs h ARG 182 N 0.07 -0.48 -0.63 4.80 2.43 -0.33 -0.18 114.38 120.05 11gs h ARG 182 Ca 0.04 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 11gs h ARG 182 Cb 0.03 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 11gs h ARG 182 CO -0.05 -0.32 0.31 -0.07 -1.51 0.00 0.00 179.97 178.33 11gs h LEU 183 N -0.50 0.82 -2.55 3.80 3.38 -0.88 -1.61 115.31 117.77 11gs h LEU 183 Ca 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 11gs h LEU 183 Cb 0.50 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 11gs h LEU 183 CO -0.12 0.72 -0.02 0.28 0.09 0.00 0.00 178.44 179.39 11gs h SER 184 N 0.87 0.00 1.22 -0.43 0.02 -0.41 -1.47 113.55 113.34 11gs h SER 184 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 11gs h SER 184 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 11gs h SER 184 CO -0.03 0.02 -0.22 0.00 -1.14 0.00 0.00 176.83 175.46 11gs n ALA 185 N -2.15 2.54 -1.68 3.77 0.00 -0.12 -3.58 120.51 119.29 11gs n ALA 185 Ca -0.02 -0.11 -0.47 0.00 0.00 0.00 0.00 53.44 52.83 11gs n ALA 185 Cb 0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 11gs n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 11gs n ARG 186 N -2.14 2.31 -0.02 0.00 1.74 -0.55 -4.71 116.66 113.28 11gs n ARG 186 Ca 0.05 0.85 -0.01 0.00 -0.77 0.00 0.00 57.85 57.97 11gs n ARG 186 Cb 0.43 -2.71 -0.00 0.00 -1.02 0.00 0.00 32.46 29.15 11gs n ARG 186 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 11gs n PRO 187 N 6.78 -0.02 -0.29 5.56 -0.02 -1.26 0.09 135.00 145.83 11gs n PRO 187 Ca 0.22 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.25 11gs n PRO 187 Cb 0.32 -0.80 0.21 0.00 -0.02 0.00 0.00 33.50 33.21 11gs n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 11gs h LYS 188 N 0.00 1.08 -0.12 -0.52 1.57 -1.89 -1.60 116.57 115.08 11gs h LYS 188 Ca 0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 11gs h LYS 188 Cb 0.02 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 11gs h LYS 188 CO -0.04 0.71 -0.05 1.25 -0.57 0.00 0.00 179.45 180.75 11gs h LEU 189 N 1.11 0.26 -0.02 2.94 6.46 -1.31 -1.72 115.31 123.03 11gs h LEU 189 Ca 0.34 -0.39 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 11gs h LEU 189 Cb -0.00 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.81 11gs h LEU 189 CO -0.10 0.59 -0.26 0.50 -0.62 0.00 0.00 178.44 178.56 11gs h LYS 190 N -0.08 -0.37 -0.80 1.25 3.64 0.00 0.34 116.57 120.55 11gs h LYS 190 Ca 0.03 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 11gs h LYS 190 Cb 0.49 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 11gs h LYS 190 CO 0.02 -0.25 0.47 0.00 -2.27 0.00 0.00 179.45 177.42 11gs h ALA 191 N 0.45 1.10 0.08 5.00 0.00 -1.28 -0.85 119.26 123.76 11gs h ALA 191 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 11gs h ALA 191 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 11gs h ALA 191 CO -0.24 0.15 -0.04 0.35 0.00 0.00 0.00 179.25 179.48 11gs h PHE 192 N 0.83 -0.10 -0.08 0.00 3.57 -0.32 -1.35 116.94 119.50 11gs h PHE 192 Ca 0.36 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.88 11gs h PHE 192 Cb 0.24 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 11gs h PHE 192 CO -0.05 0.10 0.07 -0.07 -2.23 0.00 0.00 178.31 176.12 11gs h LEU 193 N -0.29 0.00 0.00 0.59 3.38 0.28 0.63 115.31 119.90 11gs h LEU 193 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 11gs h LEU 193 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 11gs h LEU 193 CO 0.02 0.00 -0.63 0.00 0.09 0.00 0.00 178.44 177.92 11gs n ALA 194 N -2.45 3.52 -1.77 1.53 0.00 -0.38 -4.33 120.51 116.63 11gs n ALA 194 Ca -0.01 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.73 11gs n ALA 194 Cb 0.17 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 11gs n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 11gs s SER 195 N -3.32 6.07 0.48 0.00 1.04 0.21 -4.78 113.70 113.40 11gs s SER 195 Ca 0.09 1.99 0.16 0.00 0.48 0.00 0.00 55.95 58.67 11gs s SER 195 Cb 0.16 -2.56 1.16 0.00 0.10 0.00 0.00 66.02 64.88 11gs s SER 195 CO 0.73 -0.97 2.03 -0.65 0.98 0.00 0.00 173.24 175.36 11gs h PRO 196 N 1.28 0.22 -0.50 4.02 0.11 -1.91 0.13 132.00 135.35 11gs h PRO 196 Ca -0.49 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.72 11gs h PRO 196 Cb 1.23 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 11gs h PRO 196 CO 0.58 0.15 0.35 1.49 -0.21 0.00 0.00 178.00 180.35 11gs h GLU 197 N 0.23 0.17 0.00 1.05 4.81 -1.91 -0.09 114.58 118.83 11gs h GLU 197 Ca 0.19 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 11gs h GLU 197 Cb 0.46 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 11gs h GLU 197 CO -0.04 0.11 -1.33 0.98 -0.73 0.00 0.00 179.01 178.01 11gs n TYR 198 N -4.44 0.00 -0.28 0.92 9.36 -0.51 -4.61 117.16 117.61 11gs n TYR 198 Ca 0.08 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.45 11gs n TYR 198 Cb 0.45 -0.56 0.40 0.00 -0.63 0.00 0.00 39.34 39.00 11gs n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 11gs h VAL 199 N -0.85 0.76 -0.33 2.97 2.07 -0.81 -1.93 116.25 118.13 11gs h VAL 199 Ca -0.19 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.11 11gs h VAL 199 Cb 1.07 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 11gs h VAL 199 CO -0.12 0.11 0.00 0.59 0.02 0.00 0.00 177.57 178.18 11gs n ASN 200 N -4.59 1.95 -4.67 0.57 3.02 -0.05 -4.81 115.26 106.69 11gs n ASN 200 Ca 0.19 -2.05 -0.35 0.00 -0.03 0.00 0.00 54.58 52.35 11gs n ASN 200 Cb 0.56 -0.26 -0.09 0.00 -0.61 0.00 0.00 39.78 39.37 11gs n ASN 200 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 11gs s LEU 201 N -1.03 3.86 0.58 3.41 2.96 -0.73 -5.06 118.68 122.68 11gs s LEU 201 Ca 0.23 0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 54.10 11gs s LEU 201 Cb 0.13 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 11gs s LEU 201 CO 0.14 0.23 1.11 -2.16 -1.32 0.00 0.00 176.35 174.36 11gs s PRO 202 N 0.02 3.21 0.11 0.98 0.04 -1.26 -4.72 135.00 133.38 11gs s PRO 202 Ca 0.06 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 11gs s PRO 202 Cb -0.12 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 11gs s PRO 202 CO 0.01 -0.94 1.68 0.82 0.04 0.00 0.00 177.00 178.61 11gs h ILE 203 N 0.78 1.16 -1.91 0.56 2.04 -1.95 -1.32 117.51 116.87 11gs h ILE 203 Ca -0.49 -0.47 -0.61 0.00 1.00 0.00 0.00 64.86 64.30 11gs h ILE 203 Cb 1.25 0.94 -0.13 0.00 -0.74 0.00 0.00 36.82 38.14 11gs h ILE 203 CO 0.56 0.16 -0.64 0.20 0.00 0.00 0.00 178.15 178.44 11gs s ASN 204 N -5.67 3.66 0.00 1.72 -0.87 -1.26 -0.92 114.94 111.60 11gs s ASN 204 Ca -0.13 -1.29 0.27 0.00 -1.57 0.00 0.00 52.86 50.14 11gs s ASN 204 Cb 0.09 -0.35 0.92 0.00 -0.02 0.00 0.00 41.25 41.89 11gs s ASN 204 CO 0.72 -0.35 1.68 0.61 -2.57 0.00 0.00 177.10 177.19 11gs n GLY 205 N -0.86 -1.11 1.02 0.66 0.00 -1.26 -3.81 105.19 99.84 11gs n GLY 205 Ca -0.05 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.79 11gs n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 11gs n ASN 206 N -1.20 3.36 0.00 1.61 6.94 -1.26 -4.95 115.26 119.76 11gs n ASN 206 Ca 0.10 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 11gs n ASN 206 Cb 0.32 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 11gs n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 11gs n GLY 207 N 1.21 0.55 3.76 4.83 0.00 -1.25 -5.02 105.19 109.27 11gs n GLY 207 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 11gs n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 11gs s LYS 208 N -0.20 3.06 0.00 1.61 1.02 -1.26 -5.04 119.74 118.93 11gs s LYS 208 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.55 11gs s LYS 208 Cb 0.00 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 11gs s LYS 208 CO 0.00 0.67 0.00 0.00 -0.92 0.00 0.00 175.35 175.10