#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 -0.15 0.54 2.02 -1.25 -2.71 117.35 118.77 11gs s TYR 3 Ca 0.00 -0.08 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 11gs s TYR 3 Cb 0.00 -1.45 0.07 0.00 -0.40 0.00 0.00 41.96 40.18 11gs s TYR 3 CO 0.00 0.51 0.32 0.99 -1.57 0.00 0.00 175.55 175.80 11gs s THR 4 N -1.66 -0.37 -0.18 -0.71 2.01 -0.59 -0.80 115.64 113.34 11gs s THR 4 Ca 0.28 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 11gs s THR 4 Cb -0.10 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 11gs s THR 4 CO 0.20 0.09 -0.02 0.68 -0.69 0.00 0.00 174.62 174.88 11gs s VAL 5 N 2.16 3.90 -0.26 3.82 -7.23 -0.01 -1.09 120.40 121.70 11gs s VAL 5 Ca -0.03 -0.34 -0.07 0.00 -1.81 0.00 0.00 61.98 59.74 11gs s VAL 5 Cb -0.11 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 11gs s VAL 5 CO -0.10 0.46 0.05 -0.69 -0.31 0.00 0.00 175.10 174.51 11gs s VAL 6 N 0.74 4.02 0.35 1.32 1.01 0.14 -0.84 120.40 127.14 11gs s VAL 6 Ca -0.01 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 11gs s VAL 6 Cb -0.14 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.36 11gs s VAL 6 CO 0.02 0.27 0.84 -0.47 0.00 0.00 0.00 175.10 175.76 11gs s TYR 7 N 1.55 0.12 0.74 5.22 5.04 -0.75 -1.35 117.35 127.92 11gs s TYR 7 Ca 0.05 -0.75 -0.10 0.00 -2.44 0.00 0.00 57.07 53.83 11gs s TYR 7 Cb -0.16 0.82 0.05 0.00 0.35 0.00 0.00 41.96 43.03 11gs s TYR 7 CO 0.02 -1.47 1.09 -0.06 -1.34 0.00 0.00 175.55 173.79 11gs s PHE 8 N -2.25 3.07 -1.47 4.97 0.08 -1.26 -0.41 117.98 120.71 11gs s PHE 8 Ca 0.17 0.75 -0.11 0.00 0.12 0.00 0.00 56.93 57.85 11gs s PHE 8 Cb -0.05 -3.24 0.03 0.00 -0.57 0.00 0.00 43.02 39.19 11gs s PHE 8 CO 0.10 -1.45 2.40 -0.35 -0.10 0.00 0.00 175.22 175.83 11gs n PRO 9 N -3.08 3.38 -3.81 0.24 -0.04 -1.25 -4.79 135.00 125.65 11gs n PRO 9 Ca 0.07 -2.71 -0.09 0.00 -0.04 0.00 0.00 63.50 60.73 11gs n PRO 9 Cb 0.60 -3.03 -0.07 0.00 -0.04 0.00 0.00 33.50 30.96 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 2.05 0.12 -0.04 0.52 -7.23 -1.26 -4.35 120.40 110.21 11gs s VAL 10 Ca 0.53 -1.02 -0.13 0.00 -1.81 0.00 0.00 61.98 59.56 11gs s VAL 10 Cb 0.15 -1.25 -0.07 0.00 0.56 0.00 0.00 36.38 35.77 11gs s VAL 10 CO -0.07 -0.56 0.56 0.03 -0.31 0.00 0.00 175.10 174.75 11gs h ARG 11 N 2.77 -0.44 0.00 4.82 3.08 -1.17 -3.45 114.38 119.99 11gs h ARG 11 Ca -0.34 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.74 11gs h ARG 11 Cb 1.21 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.36 11gs h ARG 11 CO 0.53 -0.30 0.00 0.41 -1.07 0.00 0.00 179.97 179.55 11gs n GLY 12 N 0.54 2.15 0.00 0.04 0.00 -0.09 -0.89 105.19 106.95 11gs n GLY 12 Ca -0.06 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 11.81 0.79 -0.00 1.61 1.74 -1.26 -2.74 116.66 128.61 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 -1.15 -0.07 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.24 0.06 0.62 0.00 0.00 -1.22 -0.67 119.26 119.29 11gs h ALA 15 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 11gs h ALA 15 Cb 0.37 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.65 11gs h ALA 15 CO 0.00 -0.58 -0.34 0.00 0.00 0.00 0.00 179.25 178.33 11gs h ALA 16 N 1.09 -0.90 -0.05 0.00 0.00 -1.83 -0.87 119.26 116.70 11gs h ALA 16 Ca 0.19 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.93 11gs h ALA 16 Cb 0.44 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 11gs h ALA 16 CO -0.48 -1.02 0.04 1.37 0.00 0.00 0.00 179.25 179.17 11gs h LEU 17 N -0.90 0.00 -0.16 0.00 8.10 -1.78 0.16 115.31 120.74 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 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.93 11gs h LEU 17 CO 0.11 0.00 -0.51 0.03 -4.11 0.00 0.00 178.44 173.96 11gs h ARG 18 N 0.00 0.63 -0.65 0.17 3.08 -0.73 -2.20 114.38 114.68 11gs h ARG 18 Ca 0.02 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 59.64 11gs h ARG 18 Cb 0.10 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 11gs h ARG 18 CO -0.00 1.08 0.40 0.52 -1.07 0.00 0.00 179.97 180.90 11gs h MET 19 N 0.30 0.75 0.67 0.04 2.86 0.68 -1.39 114.93 118.84 11gs h MET 19 Ca -0.02 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 11gs h MET 19 Cb 1.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 11gs h MET 19 CO 0.11 0.50 -0.49 1.25 1.06 0.00 0.00 176.91 179.34 11gs h LEU 20 N 0.77 -1.27 -0.37 1.22 6.46 -1.06 0.12 115.31 121.20 11gs h LEU 20 Ca 0.27 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 58.19 11gs h LEU 20 Cb 0.04 0.39 -0.08 0.00 -0.73 0.00 0.00 40.66 40.28 11gs h LEU 20 CO -0.11 -0.71 -0.18 -0.07 -0.62 0.00 0.00 178.44 176.74 11gs h LEU 21 N -1.11 -0.62 0.24 2.25 3.38 -1.19 0.24 115.31 118.51 11gs h LEU 21 Ca -0.09 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.03 11gs h LEU 21 Cb 0.92 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 11gs h LEU 21 CO 0.04 -0.22 -0.26 0.00 0.09 0.00 0.00 178.44 178.10 11gs h ALA 22 N 1.14 -0.52 -0.49 1.53 0.00 -1.09 0.23 119.26 120.06 11gs h ALA 22 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.05 11gs h ALA 22 Cb 0.40 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 11gs h ALA 22 CO -0.44 -0.83 0.33 0.22 0.00 0.00 0.00 179.25 178.53 11gs h ASP 23 N -0.54 0.48 -0.08 0.00 3.58 -0.23 0.04 116.42 119.68 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 0.50 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.44 11gs h ASP 23 CO -0.07 0.33 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 11gs n GLN 24 N -4.47 1.32 -1.64 0.28 1.13 0.80 -4.84 117.38 109.96 11gs n GLN 24 Ca 0.06 -0.49 -0.09 0.00 -1.94 0.00 0.00 57.00 54.53 11gs n GLN 24 Cb 0.15 -1.33 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 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 0.93 0.64 3.88 1.08 0.00 0.00 -5.01 105.19 106.72 11gs n GLY 25 Ca 0.14 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.48 3.77 -0.06 1.61 -1.52 0.74 -5.01 119.66 115.71 11gs s GLN 26 Ca 0.00 0.29 -0.00 0.00 -1.95 0.00 0.00 55.36 53.69 11gs s GLN 26 Cb 0.00 -2.57 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 11gs s GLN 26 CO 0.00 0.20 -0.01 -1.12 -0.25 0.00 0.00 175.29 174.10 11gs s SER 27 N -2.74 5.09 0.07 5.90 0.01 -1.26 -4.40 113.70 116.37 11gs s SER 27 Ca 0.48 0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.69 11gs s SER 27 Cb -0.11 -1.38 0.02 0.00 0.21 0.00 0.00 66.02 64.76 11gs s SER 27 CO 0.25 0.35 0.29 -1.66 0.41 0.00 0.00 173.24 172.88 11gs s TRP 28 N -0.92 -0.06 -0.11 2.43 -2.14 -1.26 -3.94 118.94 112.94 11gs s TRP 28 Ca 0.15 -0.18 -0.06 0.00 2.66 0.00 0.00 56.10 58.67 11gs s TRP 28 Cb -0.11 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.30 11gs s TRP 28 CO 0.04 -0.55 0.11 0.21 -2.66 0.00 0.00 176.95 174.10 11gs s LYS 29 N -3.10 3.33 -0.32 3.25 2.47 0.02 -4.97 119.74 120.43 11gs s LYS 29 Ca -0.01 -0.20 -0.08 0.00 -1.56 0.00 0.00 55.97 54.12 11gs s LYS 29 Cb 0.01 -3.10 0.01 0.00 -1.46 0.00 0.00 37.83 33.29 11gs s LYS 29 CO -0.07 0.76 0.13 -1.21 0.16 0.00 0.00 175.35 175.12 11gs s GLU 30 N -1.01 3.07 -0.49 4.03 0.41 -1.26 -0.83 118.70 122.61 11gs s GLU 30 Ca 0.15 -0.89 -0.16 0.00 -0.41 0.00 0.00 54.97 53.65 11gs s GLU 30 Cb -0.12 -3.50 0.08 0.00 -1.78 0.00 0.00 34.13 28.81 11gs s GLU 30 CO 0.04 -0.50 0.47 -1.21 -0.49 0.00 0.00 175.26 173.56 11gs s GLU 31 N 1.53 3.01 -0.05 1.61 0.41 -0.02 -4.99 118.70 120.20 11gs s GLU 31 Ca 0.03 -1.31 -0.26 0.00 -0.41 0.00 0.00 54.97 53.02 11gs s GLU 31 Cb -0.18 -4.15 -0.03 0.00 -1.78 0.00 0.00 34.13 27.99 11gs s GLU 31 CO 0.04 -1.13 0.82 0.08 -0.49 0.00 0.00 175.26 174.59 11gs s VAL 32 N 1.88 4.96 -0.16 2.63 1.01 -1.26 -1.80 120.40 127.66 11gs s VAL 32 Ca 0.06 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 11gs s VAL 32 Cb -0.24 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 11gs s VAL 32 CO 0.07 0.19 -0.11 -0.69 0.00 0.00 0.00 175.10 174.57 11gs s VAL 33 N 1.03 3.12 0.37 2.92 1.01 0.45 -4.95 120.40 124.35 11gs s VAL 33 Ca 0.43 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.81 11gs s VAL 33 Cb -0.19 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 11gs s VAL 33 CO 0.21 0.50 0.56 0.42 0.00 0.00 0.00 175.10 176.79 11gs s THR 34 N 0.70 4.59 0.37 3.92 -4.23 -1.26 -3.96 115.64 115.77 11gs s THR 34 Ca -0.05 -0.60 0.09 0.00 -1.18 0.00 0.00 61.69 59.95 11gs s THR 34 Cb -0.15 -3.67 0.32 0.00 1.34 0.00 0.00 72.50 70.35 11gs s THR 34 CO 0.02 -0.40 1.90 1.62 -0.54 0.00 0.00 174.62 177.22 11gs h VAL 35 N 0.69 0.87 0.01 2.29 3.04 -1.99 -0.54 116.25 120.61 11gs h VAL 35 Ca -0.48 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 64.98 11gs h VAL 35 Cb 1.24 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 11gs h VAL 35 CO 0.59 0.12 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.93 11gs h GLU 36 N 0.65 -0.01 -0.63 4.17 3.07 -1.97 0.64 114.58 120.50 11gs h GLU 36 Ca 0.40 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.29 11gs h GLU 36 Cb 0.64 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.52 11gs h GLU 36 CO -0.16 0.26 0.42 1.15 -1.40 0.00 0.00 179.01 179.27 11gs h THR 37 N -0.28 1.11 -0.04 1.13 2.02 -1.64 -2.38 112.91 112.83 11gs h THR 37 Ca -0.00 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 11gs h THR 37 Cb 0.28 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 11gs h THR 37 CO 0.00 0.14 -0.24 -0.25 0.37 0.00 0.00 175.52 175.55 11gs h TRP 38 N 0.78 0.32 0.00 3.16 2.91 -0.95 -3.09 115.95 119.09 11gs h TRP 38 Ca 0.25 -0.14 0.00 0.00 1.13 0.00 0.00 58.89 60.12 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 -4.52 0.22 0.21 2.65 6.02 0.20 -0.85 117.38 121.30 11gs n GLN 39 Ca -0.09 0.10 0.10 0.00 -0.01 0.00 0.00 57.00 57.11 11gs n GLN 39 Cb 0.46 -1.50 0.15 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 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 11gs h GLU 40 CO 0.00 0.09 0.00 0.41 -2.18 0.00 0.00 179.01 177.33 11gs n GLY 41 N 1.11 2.81 0.33 1.92 0.00 -0.03 -4.91 105.19 106.43 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 -0.93 -0.53 1.61 4.64 -1.83 -1.16 113.55 115.35 11gs h SER 42 Ca 0.00 0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.31 11gs h SER 42 Cb 0.00 0.36 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 11gs h SER 42 CO 0.00 -0.39 -0.15 0.25 -0.87 0.00 0.00 176.83 175.67 11gs h LEU 43 N -0.50 1.04 -0.67 5.97 7.12 -1.88 -2.93 115.31 123.47 11gs h LEU 43 Ca 0.05 -0.37 0.08 0.00 0.13 0.00 0.00 57.88 57.77 11gs h LEU 43 Cb 0.56 -0.29 -0.06 0.00 -0.53 0.00 0.00 40.66 40.34 11gs h LEU 43 CO -0.23 1.17 0.34 0.50 -0.13 0.00 0.00 178.44 180.09 11gs h LYS 44 N 0.91 0.58 -0.25 1.25 3.64 -1.77 -1.47 116.57 119.45 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 0.73 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 11gs h LYS 44 CO 0.06 0.39 -0.14 0.00 -2.27 0.00 0.00 179.45 177.48 11gs h ALA 45 N 1.38 1.28 0.00 5.00 0.00 -1.11 -2.57 119.26 123.25 11gs h ALA 45 Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.96 11gs h ALA 45 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 11gs h ALA 45 CO -0.23 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 11gs n SER 46 N -4.20 0.10 -4.73 0.00 3.41 -0.59 -4.77 113.62 102.83 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 0.32 -0.54 -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 6.23 -0.71 -3.41 0.00 5.85 -1.86 0.69 115.31 122.10 11gs h LEU 48 Ca -0.42 0.22 -0.17 0.00 0.84 0.00 0.00 57.88 58.35 11gs h LEU 48 Cb 1.21 0.46 -0.10 0.00 0.37 0.00 0.00 40.66 42.60 11gs h LEU 48 CO 0.73 -0.25 0.03 -1.22 -0.34 0.00 0.00 178.44 177.40 11gs n TYR 49 N -5.48 1.30 -2.35 1.25 4.01 -1.26 -4.96 117.16 109.67 11gs n TYR 49 Ca 0.09 -1.42 -0.15 0.00 -0.16 0.00 0.00 57.90 56.26 11gs n TYR 49 Cb 0.37 -0.50 -0.01 0.00 -0.31 0.00 0.00 39.34 38.89 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 -0.93 -0.35 3.21 2.72 0.00 0.23 -4.95 105.19 105.12 11gs n GLY 50 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.90 0.91 0.36 1.61 -0.21 -1.26 -4.91 119.66 111.26 11gs s GLN 51 Ca 0.00 -1.16 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 0.20 -0.51 -2.12 0.00 0.00 175.29 172.57 11gs s LEU 52 N -2.94 3.28 0.64 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 44.49 11gs s LEU 52 CO -0.05 -0.40 1.17 -2.16 0.23 0.00 0.00 176.35 175.14 11gs s PRO 53 N -3.91 2.77 0.04 1.29 0.04 -1.26 -4.94 135.00 129.03 11gs s PRO 53 Ca 0.40 1.67 0.08 0.00 0.04 0.00 0.00 61.00 63.19 11gs s PRO 53 Cb -0.02 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 11gs s PRO 53 CO 0.24 -1.33 -0.22 0.21 0.04 0.00 0.00 177.00 175.94 11gs s LYS 54 N -3.67 1.93 0.02 4.56 2.20 -0.46 -3.85 119.74 120.47 11gs s LYS 54 Ca 0.73 -1.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 11gs s LYS 54 Cb -0.27 -2.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.96 11gs s LYS 54 CO 0.37 0.53 -0.07 0.12 -0.36 0.00 0.00 175.35 175.94 11gs s PHE 55 N -0.87 0.60 -0.05 4.03 5.36 0.23 -0.69 117.98 126.59 11gs s PHE 55 Ca 0.13 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 11gs s PHE 55 Cb -0.10 -0.37 0.02 0.00 -0.34 0.00 0.00 43.02 42.22 11gs s PHE 55 CO 0.04 -0.05 -0.09 -0.65 -1.46 0.00 0.00 175.22 173.01 11gs s GLN 56 N -0.94 1.23 -0.41 10.12 -0.21 -0.25 -0.28 119.66 128.93 11gs s GLN 56 Ca -0.04 -0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.08 11gs s GLN 56 Cb -0.06 -1.09 0.13 0.00 1.00 0.00 0.00 33.01 32.99 11gs s GLN 56 CO 0.00 -0.00 0.21 0.34 -2.12 0.00 0.00 175.29 173.72 11gs s ASP 57 N 0.68 3.61 0.81 5.90 -1.08 -0.22 -1.54 116.67 124.83 11gs s ASP 57 Ca -0.12 -2.42 0.00 0.00 -0.52 0.00 0.00 52.55 49.49 11gs s ASP 57 Cb -0.14 -0.92 0.00 0.00 -1.46 0.00 0.00 42.92 40.40 11gs s ASP 57 CO 0.02 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 176.02 11gs n GLY 58 N 3.80 1.32 0.75 2.66 0.00 -1.10 -1.99 105.19 110.64 11gs n GLY 58 Ca 0.08 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 4.55 2.20 -4.58 1.61 5.75 -1.26 -4.80 116.55 120.02 11gs n ASP 59 Ca 0.00 -1.95 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 11gs n ASP 59 Cb 0.00 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 39.79 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 -1.13 4.16 -0.19 -2.12 0.20 -0.84 -5.03 118.68 113.73 11gs s LEU 60 Ca 0.29 0.31 -0.09 0.00 0.69 0.00 0.00 54.13 55.34 11gs s LEU 60 Cb 0.16 -2.97 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 11gs s LEU 60 CO 0.21 -0.70 0.09 -0.89 -0.29 0.00 0.00 176.35 174.77 11gs s THR 61 N 3.01 5.07 0.18 3.68 2.01 -1.26 -1.05 115.64 127.27 11gs s THR 61 Ca 0.30 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.45 11gs s THR 61 Cb -0.13 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 11gs s THR 61 CO 0.16 0.45 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.61 11gs s LEU 62 N 0.38 2.48 0.20 4.42 1.43 0.62 -4.98 118.68 123.22 11gs s LEU 62 Ca 0.05 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 11gs s LEU 62 Cb -0.12 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 11gs s LEU 62 CO -0.01 -0.08 0.02 -0.31 0.23 0.00 0.00 176.35 176.21 11gs s TYR 63 N -2.35 1.32 0.00 0.29 2.02 -1.26 -0.60 117.35 116.77 11gs s TYR 63 Ca 0.18 -1.05 -0.00 0.00 -0.37 0.00 0.00 57.07 55.83 11gs s TYR 63 Cb -0.04 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 40.76 11gs s TYR 63 CO 0.07 -0.22 0.00 1.04 -1.57 0.00 0.00 175.55 174.86 11gs n GLN 64 N -0.31 -0.41 -0.30 -0.62 1.13 -1.25 -4.53 117.38 111.09 11gs n GLN 64 Ca -0.05 0.76 0.12 0.00 -1.94 0.00 0.00 57.00 55.89 11gs n GLN 64 Cb 0.64 -0.84 0.28 0.00 0.11 0.00 0.00 30.24 30.43 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 0.34 0.29 0.76 1.08 4.64 -1.87 0.11 113.55 118.90 11gs h SER 65 Ca -0.00 0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 11gs h SER 65 Cb 0.00 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 11gs h SER 65 CO 0.00 0.00 -0.21 0.78 -0.87 0.00 0.00 176.83 176.53 11gs h ASN 66 N 0.39 0.00 -0.02 4.97 4.21 -1.91 0.62 115.58 123.84 11gs h ASN 66 Ca 0.53 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.84 11gs h ASN 66 Cb 0.98 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 11gs h ASN 66 CO -0.52 0.21 -0.71 0.74 -1.29 0.00 0.00 177.43 175.87 11gs h THR 67 N 0.00 1.31 -0.11 2.81 2.02 -1.04 0.89 112.91 118.80 11gs h THR 67 Ca -0.00 -1.97 -0.02 0.00 0.77 0.00 0.00 66.41 65.18 11gs h THR 67 Cb 0.65 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 11gs h THR 67 CO 0.03 0.62 -0.01 0.40 0.37 0.00 0.00 175.52 176.92 11gs h ILE 68 N 0.46 1.27 -0.13 3.11 2.04 -0.58 0.15 117.51 123.84 11gs h ILE 68 Ca -0.03 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.00 11gs h ILE 68 Cb 1.31 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 11gs h ILE 68 CO 0.14 0.25 -0.12 -0.07 0.00 0.00 0.00 178.15 178.34 11gs h LEU 69 N -0.10 -0.39 -0.53 1.44 3.38 -0.84 0.68 115.31 118.95 11gs h LEU 69 Ca 0.03 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 11gs h LEU 69 Cb 0.39 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 11gs h LEU 69 CO 0.01 -0.17 0.25 0.03 0.09 0.00 0.00 178.44 178.66 11gs h ARG 70 N -0.15 0.77 -0.17 1.13 3.08 -0.74 0.09 114.38 118.39 11gs h ARG 70 Ca 0.09 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.06 11gs h ARG 70 Cb 0.28 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 11gs h ARG 70 CO -0.22 0.63 -0.05 1.25 -1.07 0.00 0.00 179.97 180.52 11gs h HIS 71 N 0.71 -0.10 -0.82 3.04 2.76 -0.04 0.17 115.15 120.86 11gs h HIS 71 Ca 0.18 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 11gs h HIS 71 Cb 0.12 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 11gs h HIS 71 CO -0.00 -0.08 0.35 -0.07 -1.30 0.00 0.00 177.93 176.82 11gs h LEU 72 N -0.01 1.11 -1.01 0.26 4.07 -0.65 -0.92 115.31 118.17 11gs h LEU 72 Ca 0.08 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 11gs h LEU 72 Cb 0.13 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 11gs h LEU 72 CO -0.18 0.97 -0.12 1.23 -1.08 0.00 0.00 178.44 179.26 11gs h GLY 73 N 1.19 0.61 0.40 0.83 0.00 -0.32 0.16 103.07 105.94 11gs h GLY 73 Ca 0.28 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 11gs h GLY 73 CO -0.03 0.40 -0.01 -0.09 0.00 0.00 0.00 176.54 176.82 11gs h ARG 74 N 0.52 -0.01 0.00 4.80 2.43 -0.31 0.40 114.38 122.20 11gs h ARG 74 Ca 0.09 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 11gs h ARG 74 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 11gs h ARG 74 CO 0.03 0.57 -0.26 1.79 -1.51 0.00 0.00 179.97 180.59 11gs h THR 75 N -0.61 0.56 -0.02 0.20 1.35 -1.10 -3.18 112.91 110.11 11gs h THR 75 Ca -0.00 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 11gs h THR 75 Cb 0.59 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 11gs h THR 75 CO 0.00 0.26 -0.35 0.18 -0.25 0.00 0.00 175.52 175.37 11gs n LEU 76 N -3.32 2.13 -0.74 3.87 7.99 0.54 -5.00 117.00 122.48 11gs n LEU 76 Ca 0.01 -0.81 -0.03 0.00 -0.01 0.00 0.00 56.01 55.17 11gs n LEU 76 Cb 0.51 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.83 11gs n LEU 76 CO 0.35 0.39 0.02 0.61 -1.51 0.00 0.00 177.39 177.24 11gs n GLY 77 N 1.33 0.71 2.17 -0.72 0.00 -0.74 -4.97 105.19 102.96 11gs n GLY 77 Ca 0.09 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.88 5.23 -1.38 0.99 4.77 0.13 -4.75 117.00 121.12 11gs n LEU 78 Ca -0.00 -4.80 -0.01 0.00 -0.03 0.00 0.00 56.01 51.17 11gs n LEU 78 Cb 0.51 -0.45 0.10 0.00 -2.33 0.00 0.00 43.42 41.26 11gs n LEU 78 CO 0.06 2.06 0.20 0.00 -1.33 0.00 0.00 177.39 178.39 11gs n TYR 79 N -0.68 0.66 0.00 -1.77 4.19 -1.18 -1.42 117.16 116.95 11gs n TYR 79 Ca 0.45 -1.43 0.00 0.00 3.31 0.00 0.00 57.90 60.23 11gs n TYR 79 Cb 0.86 -0.24 0.00 0.00 0.49 0.00 0.00 39.34 40.45 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 -0.53 -0.98 0.06 2.98 0.00 -1.26 -3.87 105.19 101.58 11gs n GLY 80 Ca 0.19 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.83 0.29 -3.51 1.61 2.85 -1.26 -4.85 118.16 112.46 11gs n LYS 81 Ca 0.00 0.07 -0.09 0.00 -1.05 0.00 0.00 58.31 57.24 11gs n LYS 81 Cb 0.00 -1.67 0.01 0.00 -0.65 0.00 0.00 35.03 32.72 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 -2.08 -1.78 -0.16 -5.58 5.68 -1.26 -5.03 116.55 106.34 11gs n ASP 82 Ca 0.03 -2.48 0.01 0.00 -0.50 0.00 0.00 54.79 51.85 11gs n ASP 82 Cb 0.44 3.03 0.29 0.00 -1.14 0.00 0.00 41.12 43.74 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 0.87 0.55 0.11 4.20 -1.93 0.15 115.11 119.06 11gs h GLN 83 Ca -0.28 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.35 11gs h GLN 83 Cb 1.08 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.66 11gs h GLN 83 CO 0.36 0.58 -0.26 0.37 -0.67 0.00 0.00 178.83 179.21 11gs h GLN 84 N 0.90 -0.71 -0.82 1.46 4.15 -1.98 -1.54 115.11 116.58 11gs h GLN 84 Ca 0.24 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.72 11gs h GLN 84 Cb -0.10 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 11gs h GLN 84 CO -0.05 -0.45 0.54 0.93 -1.93 0.00 0.00 178.83 177.87 11gs h GLU 85 N -0.79 1.06 -0.82 1.69 5.08 -1.82 -1.11 114.58 117.87 11gs h GLU 85 Ca -0.07 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.30 11gs h GLU 85 Cb 0.59 -0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 11gs h GLU 85 CO 0.12 0.70 0.48 0.00 -1.00 0.00 0.00 179.01 179.32 11gs h ALA 86 N 1.50 1.14 -0.46 3.43 0.00 -0.68 0.31 119.26 124.49 11gs h ALA 86 Ca 0.31 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 11gs h ALA 86 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 11gs h ALA 86 CO -0.07 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.30 11gs h ALA 87 N 1.42 0.63 -0.49 0.00 0.00 -0.19 -1.86 119.26 118.77 11gs h ALA 87 Ca 0.38 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 11gs h ALA 87 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 11gs h ALA 87 CO -0.21 0.46 0.09 -0.07 0.00 0.00 0.00 179.25 179.52 11gs h LEU 88 N 0.69 0.70 -0.56 0.00 3.38 -0.47 -0.28 115.31 118.77 11gs h LEU 88 Ca 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 11gs h LEU 88 Cb 0.56 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 11gs h LEU 88 CO 0.03 0.72 0.18 0.58 0.09 0.00 0.00 178.44 180.04 11gs h VAL 89 N 0.72 1.24 -0.24 1.22 2.07 -0.13 -1.66 116.25 119.47 11gs h VAL 89 Ca 0.16 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 11gs h VAL 89 Cb 0.31 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 11gs h VAL 89 CO 0.00 0.30 0.09 0.44 0.02 0.00 0.00 177.57 178.42 11gs h ASP 90 N 0.79 0.33 -0.79 0.57 3.32 -0.77 -0.67 116.42 119.20 11gs h ASP 90 Ca 0.18 -0.17 0.11 0.00 0.02 0.00 0.00 57.03 57.17 11gs h ASP 90 Cb 0.28 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.66 11gs h ASP 90 CO -0.01 0.41 0.41 -0.03 -1.72 0.00 0.00 179.24 178.31 11gs h MET 91 N 0.23 0.64 -0.04 3.56 4.05 -0.70 0.37 114.93 123.03 11gs h MET 91 Ca 0.08 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 11gs h MET 91 Cb 0.19 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 11gs h MET 91 CO -0.01 0.42 -0.01 0.28 0.23 0.00 0.00 176.91 177.82 11gs h VAL 92 N 0.65 1.31 -0.88 -5.77 2.07 -1.02 -2.54 116.25 110.08 11gs h VAL 92 Ca 0.40 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 67.00 11gs h VAL 92 Cb 0.46 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 11gs h VAL 92 CO -0.30 0.26 0.56 -1.13 0.02 0.00 0.00 177.57 176.99 11gs h ASN 93 N -0.31 0.93 -0.85 0.57 -0.73 -0.12 -0.55 115.58 114.52 11gs h ASN 93 Ca 0.01 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 11gs h ASN 93 Cb 0.42 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.77 11gs h ASN 93 CO 0.00 0.63 0.47 0.44 -0.37 0.00 0.00 177.43 178.60 11gs h ASP 94 N 1.08 1.07 -0.60 1.15 5.19 -0.29 0.13 116.42 124.15 11gs h ASP 94 Ca 0.36 -0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 11gs h ASP 94 Cb 0.04 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 11gs h ASP 94 CO -0.13 0.86 -0.00 1.23 -3.12 0.00 0.00 179.24 178.07 11gs h GLY 95 N 1.21 1.15 0.98 2.75 0.00 -0.85 -0.58 103.07 107.72 11gs h GLY 95 Ca 0.30 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 11gs h GLY 95 CO -0.05 0.78 0.25 -2.08 0.00 0.00 0.00 176.54 175.45 11gs h VAL 96 N 0.96 1.15 -0.58 4.60 2.07 -0.34 -1.91 116.25 122.20 11gs h VAL 96 Ca 0.17 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.35 11gs h VAL 96 Cb 0.57 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 11gs h VAL 96 CO 0.03 0.15 0.37 -0.08 0.02 0.00 0.00 177.57 178.06 11gs h GLU 97 N 0.57 0.72 -0.37 1.57 4.57 -0.40 0.24 114.58 121.48 11gs h GLU 97 Ca 0.16 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 11gs h GLU 97 Cb 0.02 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 11gs h GLU 97 CO -0.03 0.48 0.17 -0.44 -1.18 0.00 0.00 179.01 178.01 11gs h ASP 98 N 0.74 0.25 0.19 1.04 3.32 -0.76 -0.55 116.42 120.66 11gs h ASP 98 Ca 0.22 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 11gs h ASP 98 Cb -0.03 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 11gs h ASP 98 CO -0.07 0.18 -0.46 0.25 -1.72 0.00 0.00 179.24 177.42 11gs h LEU 99 N 0.36 0.35 -0.97 1.55 5.85 -0.67 -2.89 115.31 118.88 11gs h LEU 99 Ca 0.16 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 11gs h LEU 99 Cb 0.08 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 11gs h LEU 99 CO -0.12 0.76 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.47 11gs h ARG 100 N 0.26 0.53 -0.63 1.25 2.43 0.16 -0.99 114.38 117.39 11gs h ARG 100 Ca 0.02 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 11gs h ARG 100 Cb 0.92 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 11gs h ARG 100 CO 0.08 0.69 0.08 0.00 -1.51 0.00 0.00 179.97 179.31 11gs h LYS 102 N 0.97 0.85 0.21 0.00 1.57 -1.29 0.37 116.57 119.25 11gs h LYS 102 Ca 0.19 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 11gs h LYS 102 Cb 0.46 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 11gs h LYS 102 CO 0.02 0.92 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.80 11gs h TYR 103 N 0.69 -0.26 -0.46 -1.35 3.20 -0.91 -0.35 116.97 117.53 11gs h TYR 103 Ca 0.12 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.04 11gs h TYR 103 Cb 0.57 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.88 11gs h TYR 103 CO 0.04 -0.15 0.18 0.82 -1.64 0.00 0.00 178.16 177.41 11gs h ILE 104 N -0.30 0.88 -0.54 1.81 2.04 -0.40 -0.69 117.51 120.32 11gs h ILE 104 Ca -0.03 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.77 11gs h ILE 104 Cb 0.23 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 11gs h ILE 104 CO 0.05 0.07 0.23 -1.28 0.00 0.00 0.00 178.15 177.22 11gs h SER 105 N 0.37 0.28 0.83 1.72 0.87 -0.53 -1.03 113.55 116.07 11gs h SER 105 Ca 0.21 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 11gs h SER 105 Cb 0.19 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 11gs h SER 105 CO -0.20 0.19 -0.41 0.25 -0.53 0.00 0.00 176.83 176.13 11gs h LEU 106 N 0.44 -0.97 -1.00 2.23 5.85 -0.06 0.86 115.31 122.67 11gs h LEU 106 Ca 0.26 0.04 0.25 0.00 0.84 0.00 0.00 57.88 59.26 11gs h LEU 106 Cb 0.24 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 11gs h LEU 106 CO -0.22 -0.68 0.58 0.40 -0.34 0.00 0.00 178.44 178.17 11gs h ILE 107 N -1.13 0.52 0.00 4.05 1.08 -0.71 -1.50 117.51 119.83 11gs h ILE 107 Ca -0.11 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.11 11gs h ILE 107 Cb 0.87 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 11gs h ILE 107 CO 0.18 0.10 -1.75 -1.22 -0.69 0.00 0.00 178.15 174.77 11gs n TYR 108 N -4.90 0.00 -0.10 1.37 4.01 -0.43 -4.60 117.16 112.51 11gs n TYR 108 Ca 0.27 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.79 11gs n TYR 108 Cb 0.75 -0.42 -0.12 0.00 -0.31 0.00 0.00 39.34 39.24 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 -2.13 1.56 -2.74 -0.72 -1.04 0.30 -4.87 114.28 104.64 11gs n THR 109 Ca -0.07 -0.48 -0.08 0.00 -2.04 0.00 0.00 64.05 61.38 11gs n THR 109 Cb 0.52 -1.66 0.05 0.00 -1.82 0.00 0.00 70.33 67.42 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 -3.68 -2.71 0.22 8.00 2.04 -0.91 -5.02 115.26 113.20 11gs n ASN 110 Ca -0.44 -3.13 -0.15 0.00 -0.44 0.00 0.00 54.58 50.42 11gs n ASN 110 Cb 0.94 1.70 -0.08 0.00 -2.53 0.00 0.00 39.78 39.81 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 3.89 -0.47 -0.24 -2.53 5.03 -1.54 -1.04 116.97 120.07 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 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.48 11gs h TYR 111 CO -0.00 -0.26 0.10 0.93 -1.32 0.00 0.00 178.16 177.62 11gs h GLU 112 N -0.57 0.35 -0.11 1.82 3.07 -1.96 -1.97 114.58 115.22 11gs h GLU 112 Ca -0.05 -0.06 -0.21 0.00 -0.50 0.00 0.00 59.36 58.54 11gs h GLU 112 Cb 0.42 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 11gs h GLU 112 CO 0.08 0.38 -0.74 0.00 -1.40 0.00 0.00 179.01 177.33 11gs h ALA 113 N 0.95 0.24 -0.01 3.43 0.00 -1.98 -3.37 119.26 118.53 11gs h ALA 113 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.40 11gs h ALA 113 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 11gs h ALA 113 CO -0.01 0.60 -0.37 0.41 0.00 0.00 0.00 179.25 179.88 11gs n GLY 114 N 0.77 -0.26 0.21 0.00 0.00 -0.39 -4.50 105.19 101.03 11gs n GLY 114 Ca -0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 1.87 0.38 0.06 1.61 3.64 -1.51 0.45 116.57 123.07 11gs h LYS 115 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 11gs h LYS 115 Cb 0.64 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 11gs h LYS 115 CO 0.00 0.25 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.94 11gs h ASP 116 N 0.40 -0.15 -0.46 4.20 3.32 -1.85 0.45 116.42 122.32 11gs h ASP 116 Ca 0.26 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 11gs h ASP 116 Cb 0.28 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 11gs h ASP 116 CO -0.25 -0.09 0.21 0.44 -1.72 0.00 0.00 179.24 177.82 11gs h ASP 117 N -0.12 0.66 -0.13 6.45 3.32 -1.74 -0.30 116.42 124.56 11gs h ASP 117 Ca 0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 11gs h ASP 117 Cb 0.12 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 11gs h ASP 117 CO -0.02 0.60 -0.01 0.22 -1.72 0.00 0.00 179.24 178.31 11gs h TYR 118 N 0.72 0.26 -0.24 4.55 5.03 -0.36 -1.56 116.97 125.37 11gs h TYR 118 Ca 0.18 -0.05 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 11gs h TYR 118 Cb 0.14 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 11gs h TYR 118 CO 0.01 0.48 -0.14 0.28 -1.32 0.00 0.00 178.16 177.47 11gs h VAL 119 N -0.04 1.22 -0.50 1.81 2.07 -0.61 -0.13 116.25 120.07 11gs h VAL 119 Ca 0.04 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 11gs h VAL 119 Cb 0.38 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 11gs h VAL 119 CO 0.01 0.31 -0.10 0.11 0.02 0.00 0.00 177.57 177.92 11gs h LYS 120 N 0.38 0.91 0.00 1.57 1.57 -0.83 -2.97 116.57 117.19 11gs h LYS 120 Ca 0.07 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 11gs h LYS 120 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 11gs h LYS 120 CO 0.03 0.96 -0.02 0.00 -0.57 0.00 0.00 179.45 179.85 11gs h ALA 121 N 1.06 0.99 -0.58 3.86 0.00 -0.55 -3.39 119.26 120.66 11gs h ALA 121 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.15 11gs h ALA 121 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 11gs h ALA 121 CO 0.04 0.00 -0.33 -0.07 0.00 0.00 0.00 179.25 178.90 11gs h LEU 122 N 0.00 -1.13 -0.90 0.00 3.38 -0.88 -2.22 115.31 113.57 11gs h LEU 122 Ca 0.00 0.22 0.20 0.00 0.09 0.00 0.00 57.88 58.40 11gs h LEU 122 Cb 0.95 0.56 -0.17 0.00 0.09 0.00 0.00 40.66 42.09 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 -0.16 0.02 0.00 1.13 0.11 -1.77 0.52 132.00 131.85 11gs h PRO 123 Ca 0.23 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 11gs h PRO 123 Cb 0.55 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 11gs h PRO 123 CO -0.67 0.01 -0.27 0.78 -0.21 0.00 0.00 178.00 177.65 11gs h GLY 124 N 0.02 0.00 2.00 -0.55 0.00 -1.70 0.59 103.07 103.43 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 -0.88 0.00 -0.67 1.46 0.00 0.00 0.00 176.54 176.45 11gs h GLN 125 N 0.00 0.00 0.03 4.80 1.08 0.10 -3.30 115.11 117.82 11gs h GLN 125 Ca -0.00 0.00 -0.30 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 0.67 -1.66 -0.07 -0.95 0.00 0.00 178.83 176.85 11gs h LEU 126 N 0.00 0.11 -0.96 1.46 3.38 -0.58 -3.39 115.31 115.33 11gs h LEU 126 Ca -0.01 -0.21 0.29 0.00 0.09 0.00 0.00 57.88 58.04 11gs h LEU 126 Cb 1.45 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 42.00 11gs h LEU 126 CO 0.09 1.19 0.16 0.50 0.09 0.00 0.00 178.44 180.46 11gs h LYS 127 N 0.02 0.05 -0.70 1.13 3.64 -0.97 -0.53 116.57 119.22 11gs h LYS 127 Ca -0.27 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.19 11gs h LYS 127 Cb 1.99 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.76 11gs h LYS 127 CO 0.10 0.04 0.46 -1.35 -2.27 0.00 0.00 179.45 176.42 11gs h PRO 128 N 0.06 0.58 0.00 1.90 0.11 -1.75 -1.37 132.00 131.53 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 1.36 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 11gs h PRO 128 CO -0.83 0.39 -0.83 0.74 -0.21 0.00 0.00 178.00 177.26 11gs h PHE 129 N 0.60 0.12 -0.27 0.65 0.04 -1.37 -1.34 116.94 115.38 11gs h PHE 129 Ca 0.32 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.93 11gs h PHE 129 Cb 0.44 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 11gs h PHE 129 CO -0.00 0.87 -0.19 1.49 -0.60 0.00 0.00 178.31 179.89 11gs h GLU 130 N 0.05 0.60 -0.24 1.51 4.57 -1.34 -2.01 114.58 117.72 11gs h GLU 130 Ca -0.02 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 11gs h GLU 130 Cb 1.45 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 11gs h GLU 130 CO 0.12 0.87 0.16 1.15 -1.18 0.00 0.00 179.01 180.13 11gs h THR 131 N 0.33 1.05 -0.67 0.32 2.02 -1.17 -0.17 112.91 114.62 11gs h THR 131 Ca 0.05 -0.11 0.10 0.00 0.77 0.00 0.00 66.41 67.22 11gs h THR 131 Cb 0.72 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 11gs h THR 131 CO 0.05 0.06 0.29 -0.07 0.37 0.00 0.00 175.52 176.22 11gs h LEU 132 N 0.32 0.34 -0.33 2.58 3.38 -1.16 -1.84 115.31 118.60 11gs h LEU 132 Ca 0.09 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 11gs h LEU 132 Cb -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 11gs h LEU 132 CO -0.03 0.19 0.17 0.25 0.09 0.00 0.00 178.44 179.11 11gs h LEU 133 N 0.50 0.42 -2.43 1.67 5.85 -0.53 -2.31 115.31 118.48 11gs h LEU 133 Ca 0.34 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 11gs h LEU 133 Cb 0.41 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 11gs h LEU 133 CO -0.30 0.40 -0.00 0.77 -0.34 0.00 0.00 178.44 178.96 11gs h SER 134 N 0.40 0.00 0.18 1.25 4.64 -0.26 0.12 113.55 119.89 11gs h SER 134 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 11gs h SER 134 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 11gs h SER 134 CO -0.02 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 175.71 11gs n GLN 135 N -3.12 0.99 -3.90 4.77 6.02 -0.88 -4.00 117.38 117.26 11gs n GLN 135 Ca -0.02 -0.61 -0.30 0.00 -0.01 0.00 0.00 57.00 56.07 11gs n GLN 135 Cb 0.16 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 29.79 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 -2.43 4.19 -1.48 1.08 3.04 -0.61 -4.81 114.94 113.91 11gs s ASN 136 Ca 0.26 -2.88 -0.12 0.00 0.04 0.00 0.00 52.86 50.16 11gs s ASN 136 Cb 0.19 -1.50 0.07 0.00 -1.54 0.00 0.00 41.25 38.47 11gs s ASN 136 CO 0.50 -0.25 0.85 0.00 -3.04 0.00 0.00 177.10 175.16 11gs n GLN 137 N 3.27 -5.14 -1.94 0.43 6.02 -1.26 -1.57 117.38 117.19 11gs n GLN 137 Ca 0.06 0.63 -0.17 0.00 -0.01 0.00 0.00 57.00 57.50 11gs n GLN 137 Cb 0.33 -5.49 -0.04 0.00 1.02 0.00 0.00 30.24 26.06 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 -1.58 0.61 2.35 1.08 0.00 -1.26 -2.12 105.19 104.27 11gs n GLY 138 Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.95 1.13 0.07 -0.02 0.00 0.32 -4.80 105.19 100.93 11gs n GLY 139 Ca -0.19 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 0.05 0.00 0.00 1.61 6.56 -1.57 -3.45 116.57 119.77 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 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 11gs h LYS 140 CO 0.30 0.93 0.00 0.25 -2.06 0.00 0.00 179.45 178.86 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 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 11gs n THR 141 Cb 0.88 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.43 4.78 0.08 -1.25 -5.03 117.98 119.60 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 1.09 0.00 -0.57 0.00 0.00 43.02 42.16 11gs s PHE 142 CO 0.00 -0.05 1.99 0.97 -0.10 0.00 0.00 175.22 178.03 11gs h ILE 143 N 1.55 0.98 -3.03 0.64 6.09 -1.96 -3.41 117.51 118.37 11gs h ILE 143 Ca -0.39 -0.69 -0.22 0.00 -1.37 0.00 0.00 64.86 62.19 11gs h ILE 143 Cb 1.30 1.39 -0.31 0.00 0.47 0.00 0.00 36.82 39.66 11gs h ILE 143 CO 0.65 0.19 -0.53 -0.69 -3.07 0.00 0.00 178.15 174.70 11gs s VAL 144 N -4.44 -0.14 0.00 2.19 1.01 -1.26 -4.71 120.40 113.04 11gs s VAL 144 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.15 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 4.56 -0.67 0.67 4.51 0.00 -1.26 -4.36 105.19 108.64 11gs n GLY 145 Ca -0.20 -1.11 0.07 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 2.76 -4.34 1.61 5.68 -1.26 -3.85 116.55 115.75 11gs n ASP 146 Ca 0.00 -1.85 -0.27 0.00 -0.50 0.00 0.00 54.79 52.17 11gs n ASP 146 Cb 0.00 -0.18 -0.13 0.00 -1.14 0.00 0.00 41.12 39.67 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 -1.03 1.27 0.59 0.11 -2.07 -1.26 -4.83 119.66 112.45 11gs s GLN 147 Ca 0.23 -1.26 -0.17 0.00 -1.82 0.00 0.00 55.36 52.34 11gs s GLN 147 Cb 0.13 -1.66 -0.04 0.00 -1.09 0.00 0.00 33.01 30.35 11gs s GLN 147 CO 0.18 0.39 1.11 -1.50 -1.32 0.00 0.00 175.29 174.15 11gs s ILE 148 N -1.11 3.30 0.15 3.63 2.07 -1.26 -4.80 121.20 123.18 11gs s ILE 148 Ca 0.11 0.71 -0.01 0.00 -1.41 0.00 0.00 60.65 60.04 11gs s ILE 148 Cb -0.10 -3.23 -0.04 0.00 0.13 0.00 0.00 42.46 39.21 11gs s ILE 148 CO 0.05 -0.28 0.07 -0.94 -1.91 0.00 0.00 174.94 171.94 11gs s SER 149 N -2.20 0.34 0.56 4.50 1.04 -1.26 -4.57 113.70 112.11 11gs s SER 149 Ca 0.69 -1.26 0.25 0.00 0.48 0.00 0.00 55.95 56.11 11gs s SER 149 Cb -0.21 0.31 1.56 0.00 0.10 0.00 0.00 66.02 67.78 11gs s SER 149 CO 0.33 -0.75 2.14 2.19 0.98 0.00 0.00 173.24 178.13 11gs h PHE 150 N 2.78 0.00 -0.20 5.02 -0.00 -1.57 0.23 116.94 123.19 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 0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 178.31 178.64 11gs h ALA 151 N 1.89 1.48 0.27 12.09 0.00 -1.86 -2.21 119.26 130.91 11gs h ALA 151 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 11gs h ALA 151 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 11gs h ALA 151 CO -0.00 0.37 -0.13 -0.44 0.00 0.00 0.00 179.25 179.05 11gs h ASP 152 N 0.30 -0.30 -0.75 0.00 3.32 -0.94 0.15 116.42 118.20 11gs h ASP 152 Ca 0.06 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.10 11gs h ASP 152 Cb 0.35 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 11gs h ASP 152 CO 0.02 -0.18 0.50 1.88 -1.72 0.00 0.00 179.24 179.74 11gs h TYR 153 N -0.41 0.94 -0.12 4.55 0.05 -1.54 0.48 116.97 120.93 11gs h TYR 153 Ca -0.04 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 11gs h TYR 153 Cb 0.31 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 11gs h TYR 153 CO -0.05 0.59 -0.20 -0.97 -1.05 0.00 0.00 178.16 176.48 11gs h ASN 154 N 1.01 0.38 -0.74 3.88 -0.00 -1.17 -1.57 115.58 117.37 11gs h ASN 154 Ca 0.28 -0.54 -0.06 0.00 -0.00 0.00 0.00 56.30 55.98 11gs h ASN 154 Cb -0.09 -0.11 -0.03 0.00 -0.00 0.00 0.00 38.32 38.09 11gs h ASN 154 CO -0.06 0.84 0.22 0.25 -0.00 0.00 0.00 177.43 178.67 11gs h LEU 155 N -0.08 1.09 -0.12 0.34 5.85 -0.21 -0.76 115.31 121.43 11gs h LEU 155 Ca 0.01 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.53 11gs h LEU 155 Cb 0.77 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 11gs h LEU 155 CO 0.04 1.02 -0.00 0.25 -0.34 0.00 0.00 178.44 179.41 11gs h LEU 156 N 1.10 -0.05 -0.50 2.25 5.85 0.04 0.38 115.31 124.39 11gs h LEU 156 Ca 0.24 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.99 11gs h LEU 156 Cb 0.33 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 11gs h LEU 156 CO -0.00 -0.01 0.32 -0.78 -0.34 0.00 0.00 178.44 177.63 11gs h ASP 157 N 0.04 0.55 -0.30 1.25 3.58 -0.95 0.19 116.42 120.78 11gs h ASP 157 Ca 0.05 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.55 11gs h ASP 157 Cb 0.07 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 40.92 11gs h ASP 157 CO -0.09 0.40 -0.08 0.25 -2.88 0.00 0.00 179.24 176.83 11gs h LEU 158 N 0.66 -0.30 0.03 2.28 5.85 -0.62 0.44 115.31 123.65 11gs h LEU 158 Ca 0.18 0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.01 11gs h LEU 158 Cb -0.06 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 11gs h LEU 158 CO -0.05 -0.11 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.79 11gs h LEU 159 N -0.01 -0.24 -0.22 2.25 3.38 -0.08 -1.59 115.31 118.80 11gs h LEU 159 Ca 0.15 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.20 11gs h LEU 159 Cb 0.23 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 11gs h LEU 159 CO -0.32 -0.13 -0.14 -0.07 0.09 0.00 0.00 178.44 177.88 11gs h LEU 160 N -0.17 -0.45 -1.82 1.67 3.38 0.08 -1.05 115.31 116.95 11gs h LEU 160 Ca 0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 11gs h LEU 160 Cb 0.19 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 11gs h LEU 160 CO -0.06 -0.18 -0.15 0.16 0.09 0.00 0.00 178.44 178.30 11gs h ILE 161 N -0.13 0.77 -0.01 1.22 3.07 -0.70 -1.55 117.51 120.18 11gs h ILE 161 Ca 0.12 -0.58 -0.17 0.00 1.55 0.00 0.00 64.86 65.79 11gs h ILE 161 Cb 0.31 1.35 -0.02 0.00 -0.27 0.00 0.00 36.82 38.19 11gs h ILE 161 CO -0.30 0.14 -0.77 0.45 -1.05 0.00 0.00 178.15 176.63 11gs h HIS 162 N 0.00 0.16 -0.33 0.16 3.86 -0.21 -2.08 115.15 116.72 11gs h HIS 162 Ca -0.00 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 11gs h HIS 162 Cb 0.33 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 11gs h HIS 162 CO 0.00 0.83 0.03 0.93 0.86 0.00 0.00 177.93 180.58 11gs h GLU 163 N 0.07 0.49 -0.20 2.45 4.39 -0.32 0.50 114.58 121.96 11gs h GLU 163 Ca -0.02 -0.09 -0.19 0.00 0.34 0.00 0.00 59.36 59.40 11gs h GLU 163 Cb 1.35 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.92 11gs h GLU 163 CO 0.11 0.50 -0.62 0.28 -1.16 0.00 0.00 179.01 178.12 11gs h VAL 164 N 0.48 1.29 -0.10 3.13 2.07 -1.40 -0.66 116.25 121.05 11gs h VAL 164 Ca 0.11 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 11gs h VAL 164 Cb 0.27 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 11gs h VAL 164 CO 0.01 0.58 -0.01 0.25 0.02 0.00 0.00 177.57 178.42 11gs h LEU 165 N 0.50 0.19 -6.71 2.57 5.85 -0.53 -3.37 115.31 113.81 11gs h LEU 165 Ca -0.02 -0.33 -0.60 0.00 0.84 0.00 0.00 57.88 57.77 11gs h LEU 165 Cb 1.24 -0.05 -0.40 0.00 0.37 0.00 0.00 40.66 41.83 11gs h LEU 165 CO 0.13 0.47 -0.81 0.00 -0.34 0.00 0.00 178.44 177.90 11gs s ALA 166 N -4.90 2.16 0.01 1.25 0.00 0.16 -5.09 121.76 115.35 11gs s ALA 166 Ca -0.14 -2.80 -0.37 0.00 0.00 0.00 0.00 51.96 48.65 11gs s ALA 166 Cb 0.05 -1.81 -0.17 0.00 0.00 0.00 0.00 23.12 21.19 11gs s ALA 166 CO 0.70 -2.04 1.42 -2.30 0.00 0.00 0.00 175.76 173.54 11gs n PRO 167 N 2.88 1.14 -0.65 0.00 -0.02 -0.26 -1.44 135.00 136.65 11gs n PRO 167 Ca 0.21 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 11gs n PRO 167 Cb 0.41 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.84 0.80 0.12 -1.23 0.00 -1.26 -4.91 105.19 101.54 11gs n GLY 168 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.05 1.74 -0.22 0.00 4.32 -1.26 -4.33 117.00 115.20 11gs n LEU 170 Ca -0.01 -0.60 0.04 0.00 -0.02 0.00 0.00 56.01 55.42 11gs n LEU 170 Cb 0.03 -0.04 0.29 0.00 -1.62 0.00 0.00 43.42 42.07 11gs n LEU 170 CO 0.07 0.32 1.23 0.44 -1.22 0.00 0.00 177.39 178.23 11gs h ASP 171 N 2.22 0.79 0.00 -1.43 3.32 -1.16 -0.12 116.42 120.04 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 0.68 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.05 11gs h ASP 171 CO 0.00 0.54 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 11gs n ALA 172 N -2.43 2.65 -3.66 3.45 0.00 -1.26 -4.36 120.51 114.91 11gs n ALA 172 Ca 0.10 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 11gs n ALA 172 Cb 0.14 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 17.98 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 2.24 0.23 0.00 0.08 -0.06 -4.99 117.98 113.48 11gs s PHE 173 Ca 0.46 -2.74 -0.06 0.00 0.12 0.00 0.00 56.93 54.72 11gs s PHE 173 Cb 0.21 -1.81 0.39 0.00 -0.57 0.00 0.00 43.02 41.24 11gs s PHE 173 CO 0.36 -0.71 1.75 -1.00 -0.10 0.00 0.00 175.22 175.52 11gs h PRO 174 N 5.77 0.50 -0.40 0.24 0.13 -1.76 -0.35 132.00 136.12 11gs h PRO 174 Ca 0.16 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 11gs h PRO 174 Cb 0.85 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 11gs h PRO 174 CO 0.53 0.33 0.17 -0.07 -0.23 0.00 0.00 178.00 178.73 11gs h LEU 175 N 0.51 0.54 -0.27 1.56 4.07 -1.94 -0.31 115.31 119.47 11gs h LEU 175 Ca 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 11gs h LEU 175 Cb 0.49 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 11gs h LEU 175 CO -0.33 0.55 0.12 -0.07 -1.08 0.00 0.00 178.44 177.62 11gs h LEU 176 N 0.50 0.37 0.01 1.67 3.38 -1.74 0.16 115.31 119.67 11gs h LEU 176 Ca 0.14 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.98 11gs h LEU 176 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 11gs h LEU 176 CO -0.01 0.41 -0.17 0.28 0.09 0.00 0.00 178.44 179.04 11gs h SER 177 N 0.30 -0.50 -0.38 -0.43 0.02 -0.93 0.14 113.55 111.78 11gs h SER 177 Ca 0.09 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 11gs h SER 177 Cb 0.15 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 11gs h SER 177 CO -0.01 -0.24 0.12 0.00 -1.14 0.00 0.00 176.83 175.57 11gs h ALA 178 N 0.63 1.38 0.14 3.77 0.00 -0.80 -1.82 119.26 122.56 11gs h ALA 178 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 11gs h ALA 178 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 11gs h ALA 178 CO -0.15 0.45 -0.07 -0.92 0.00 0.00 0.00 179.25 178.56 11gs h TYR 179 N 0.65 -0.18 -0.07 0.00 3.20 0.11 0.19 116.97 120.86 11gs h TYR 179 Ca 0.15 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 11gs h TYR 179 Cb 0.22 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 11gs h TYR 179 CO 0.01 -0.06 -0.09 0.28 -1.64 0.00 0.00 178.16 176.66 11gs h VAL 180 N -0.24 0.75 -0.13 1.81 2.07 -0.35 0.10 116.25 120.26 11gs h VAL 180 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 11gs h VAL 180 Cb 0.19 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 11gs h VAL 180 CO 0.03 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.87 11gs h GLY 181 N -0.12 0.13 0.61 2.17 0.00 -1.11 0.10 103.07 104.85 11gs h GLY 181 Ca 0.06 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.40 11gs h GLY 181 CO -0.15 -0.00 -0.24 -0.09 0.00 0.00 0.00 176.54 176.06 11gs h ARG 182 N 0.07 -0.43 -0.57 4.80 2.43 -0.27 -0.11 114.38 120.30 11gs h ARG 182 Ca 0.06 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 11gs h ARG 182 Cb 0.05 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 11gs h ARG 182 CO -0.08 -0.29 0.27 -0.07 -1.51 0.00 0.00 179.97 178.29 11gs h LEU 183 N -0.45 0.76 -2.58 3.80 3.38 -0.85 -1.64 115.31 117.73 11gs h LEU 183 Ca 0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 11gs h LEU 183 Cb 0.46 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 11gs h LEU 183 CO -0.12 0.69 -0.02 0.28 0.09 0.00 0.00 178.44 179.36 11gs h SER 184 N 0.78 0.00 1.27 -0.43 0.02 -0.37 -1.46 113.55 113.36 11gs h SER 184 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 11gs h SER 184 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 11gs h SER 184 CO -0.02 0.02 -0.20 0.00 -1.14 0.00 0.00 176.83 175.48 11gs n ALA 185 N -2.17 2.49 -1.68 3.77 0.00 -0.09 -3.59 120.51 119.25 11gs n ALA 185 Ca -0.02 -0.10 -0.47 0.00 0.00 0.00 0.00 53.44 52.85 11gs n ALA 185 Cb 0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.20 2.30 -0.04 0.00 1.74 -0.55 -4.71 116.66 113.20 11gs n ARG 186 Ca 0.05 0.84 -0.01 0.00 -0.77 0.00 0.00 57.85 57.96 11gs n ARG 186 Cb 0.43 -2.71 -0.01 0.00 -1.02 0.00 0.00 32.46 29.16 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 6.74 -0.04 -0.28 5.56 -0.02 -1.26 0.10 135.00 145.80 11gs n PRO 187 Ca 0.22 0.58 -0.00 0.00 -2.02 0.00 0.00 63.50 62.28 11gs n PRO 187 Cb 0.31 -0.86 0.19 0.00 -0.02 0.00 0.00 33.50 33.13 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 1.12 -0.13 -0.52 1.57 -1.89 -1.60 116.57 115.11 11gs h LYS 188 Ca 0.01 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 11gs h LYS 188 Cb 0.04 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 11gs h LYS 188 CO -0.09 0.74 -0.04 1.25 -0.57 0.00 0.00 179.45 180.74 11gs h LEU 189 N 1.15 0.27 0.02 2.94 6.46 -1.32 -1.81 115.31 123.02 11gs h LEU 189 Ca 0.32 -0.38 0.03 0.00 -0.12 0.00 0.00 57.88 57.73 11gs h LEU 189 Cb -0.11 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.70 11gs h LEU 189 CO -0.07 0.58 -0.26 0.50 -0.62 0.00 0.00 178.44 178.57 11gs h LYS 190 N -0.05 -0.40 -0.85 1.25 3.64 0.03 0.35 116.57 120.55 11gs h LYS 190 Ca 0.03 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 11gs h LYS 190 Cb 0.47 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 11gs h LYS 190 CO 0.01 -0.26 0.51 0.00 -2.27 0.00 0.00 179.45 177.44 11gs h ALA 191 N 0.40 1.20 0.04 5.00 0.00 -1.29 -0.71 119.26 123.89 11gs h ALA 191 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 11gs h ALA 191 Cb 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.09 11gs h ALA 191 CO -0.22 0.19 -0.02 0.35 0.00 0.00 0.00 179.25 179.55 11gs h PHE 192 N 0.89 -0.05 -0.04 0.00 3.57 -0.37 -1.40 116.94 119.53 11gs h PHE 192 Ca 0.39 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.90 11gs h PHE 192 Cb 0.27 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 11gs h PHE 192 CO -0.04 0.18 0.04 -0.07 -2.23 0.00 0.00 178.31 176.19 11gs h LEU 193 N -0.29 0.00 0.00 0.59 3.38 0.32 0.48 115.31 119.79 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 11gs h LEU 193 CO 0.01 0.00 -0.57 0.00 0.09 0.00 0.00 178.44 177.97 11gs n ALA 194 N -2.46 3.41 -1.76 1.53 0.00 -0.33 -4.33 120.51 116.57 11gs n ALA 194 Ca -0.02 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 11gs n ALA 194 Cb 0.13 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.33 6.06 0.48 0.00 1.04 0.16 -4.78 113.70 113.32 11gs s SER 195 Ca 0.09 1.96 0.16 0.00 0.48 0.00 0.00 55.95 58.64 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 0.71 -0.98 2.04 -0.65 0.98 0.00 0.00 173.24 175.35 11gs h PRO 196 N 1.20 0.22 -0.49 4.02 0.11 -1.91 0.12 132.00 135.27 11gs h PRO 196 Ca -0.49 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.71 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 0.14 0.34 1.49 -0.21 0.00 0.00 178.00 180.34 11gs h GLU 197 N 0.22 0.18 0.00 1.05 4.81 -1.91 -0.06 114.58 118.87 11gs h GLU 197 Ca 0.17 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 11gs h GLU 197 Cb 0.40 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 11gs h GLU 197 CO -0.03 0.12 -1.27 0.98 -0.73 0.00 0.00 179.01 178.08 11gs n TYR 198 N -4.44 0.00 -0.31 0.92 9.36 -0.51 -4.60 117.16 117.57 11gs n TYR 198 Ca 0.08 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.45 11gs n TYR 198 Cb 0.43 -0.55 0.39 0.00 -0.63 0.00 0.00 39.34 38.98 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 -0.86 0.72 -0.30 2.97 2.07 -0.82 -1.90 116.25 118.12 11gs h VAL 199 Ca -0.17 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.13 11gs h VAL 199 Cb 1.05 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 11gs h VAL 199 CO -0.10 0.12 0.00 0.59 0.02 0.00 0.00 177.57 178.20 11gs n ASN 200 N -4.64 1.77 -4.66 0.57 3.02 -0.04 -4.81 115.26 106.46 11gs n ASN 200 Ca 0.21 -2.04 -0.35 0.00 -0.03 0.00 0.00 54.58 52.38 11gs n ASN 200 Cb 0.60 -0.24 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.01 3.84 0.59 3.41 2.96 -0.72 -5.06 118.68 122.69 11gs s LEU 201 Ca 0.21 0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 54.07 11gs s LEU 201 Cb 0.11 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 11gs s LEU 201 CO 0.13 0.22 1.11 -2.16 -1.32 0.00 0.00 176.35 174.33 11gs s PRO 202 N 0.06 3.15 0.11 0.98 0.04 -1.26 -4.73 135.00 133.36 11gs s PRO 202 Ca 0.05 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 11gs s PRO 202 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 11gs s PRO 202 CO 0.01 -0.98 1.66 0.82 0.04 0.00 0.00 177.00 178.55 11gs h ILE 203 N 0.63 1.18 -2.01 0.56 2.04 -1.95 -1.21 117.51 116.75 11gs h ILE 203 Ca -0.48 -0.54 -0.60 0.00 1.00 0.00 0.00 64.86 64.25 11gs h ILE 203 Cb 1.25 0.97 -0.13 0.00 -0.74 0.00 0.00 36.82 38.16 11gs h ILE 203 CO 0.56 0.19 -0.65 0.20 0.00 0.00 0.00 178.15 178.45 11gs s ASN 204 N -5.73 3.55 0.00 1.72 -0.87 -1.26 -0.91 114.94 111.44 11gs s ASN 204 Ca -0.13 -1.26 0.27 0.00 -1.57 0.00 0.00 52.86 50.16 11gs s ASN 204 Cb 0.09 -0.32 0.93 0.00 -0.02 0.00 0.00 41.25 41.93 11gs s ASN 204 CO 0.73 -0.33 1.70 0.61 -2.57 0.00 0.00 177.10 177.24 11gs n GLY 205 N -0.81 -1.23 1.03 0.66 0.00 -1.26 -3.79 105.19 99.78 11gs n GLY 205 Ca -0.05 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.34 3.36 0.00 1.61 6.94 -1.26 -4.95 115.26 119.62 11gs n ASN 206 Ca 0.08 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 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 1.22 0.58 3.76 4.83 0.00 -1.25 -5.02 105.19 109.32 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 -0.13 3.08 0.00 1.61 1.02 -1.26 -5.04 119.74 119.02 11gs s LYS 208 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.57 11gs s LYS 208 Cb 0.00 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 11gs s LYS 208 CO 0.00 0.68 0.00 0.00 -0.92 0.00 0.00 175.35 175.11