#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0s s GLY 6 N 0.00 1.80 0.05 1.09 0.00 -1.26 -4.54 107.32 104.46 1x0s s GLY 6 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1x0s s GLY 6 CO 0.00 1.43 0.00 -2.13 0.00 0.00 0.00 173.10 172.40 1x0s n ARG 7 N 6.07 0.00 0.26 2.90 3.00 -1.26 -4.92 116.66 122.71 1x0s n ARG 7 Ca -0.07 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.87 1x0s n ARG 7 Cb 0.45 0.00 0.66 0.00 0.00 0.00 0.00 32.46 33.57 1x0s n ARG 7 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1x0s h PRO 8 N 0.00 0.00 -0.64 -0.14 0.13 -2.01 -0.88 132.00 128.46 1x0s h PRO 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x0s h PRO 8 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x0s h PRO 8 CO 0.00 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 176.93 1x0s n GLU 9 N -4.46 2.66 -0.16 0.86 0.00 -1.26 -4.38 120.64 113.90 1x0s n GLU 9 Ca -0.03 -2.34 0.09 0.00 0.00 0.00 0.00 57.16 54.88 1x0s n GLU 9 Cb 0.10 -1.56 0.41 0.00 0.00 0.00 0.00 31.44 30.39 1x0s n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1x0s h TRP 10 N 3.71 0.65 -0.11 -1.84 5.08 -1.51 -2.64 115.95 119.29 1x0s h TRP 10 Ca 0.00 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.97 1x0s h TRP 10 Cb 0.94 -0.21 -0.00 0.00 -3.00 0.00 0.00 29.16 26.89 1x0s h TRP 10 CO 0.48 0.31 0.00 0.97 -1.28 0.00 0.00 178.44 178.92 1x0s h ILE 11 N 0.61 1.25 -0.67 0.12 2.10 -1.78 -0.93 117.51 118.22 1x0s h ILE 11 Ca 0.32 -0.81 0.01 0.00 1.08 0.00 0.00 64.86 65.46 1x0s h ILE 11 Cb 0.44 1.56 -0.03 0.00 -1.09 0.00 0.00 36.82 37.70 1x0s h ILE 11 CO -0.11 0.23 0.44 -0.50 -1.08 0.00 0.00 178.15 177.14 1x0s h TRP 12 N -0.07 0.83 -0.28 2.19 -0.00 -1.80 0.10 115.95 116.92 1x0s h TRP 12 Ca 0.03 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.91 1x0s h TRP 12 Cb 0.36 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.23 1x0s h TRP 12 CO 0.03 0.52 0.03 -0.07 -0.00 0.00 0.00 178.44 178.95 1x0s h LEU 13 N 0.89 0.45 -0.45 -4.49 3.38 -1.36 -1.13 115.31 112.61 1x0s h LEU 13 Ca 0.25 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1x0s h LEU 13 Cb -0.07 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1x0s h LEU 13 CO -0.06 0.61 0.18 0.00 0.09 0.00 0.00 178.44 179.27 1x0s h ALA 14 N 0.86 0.54 -0.31 1.53 0.00 0.21 0.52 119.26 122.60 1x0s h ALA 14 Ca 0.08 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1x0s h ALA 14 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1x0s h ALA 14 CO 0.01 -0.20 -0.22 1.25 0.00 0.00 0.00 179.25 180.09 1x0s h LEU 15 N 0.37 0.60 0.25 0.00 5.85 -0.98 -1.83 115.31 119.57 1x0s h LEU 15 Ca 0.20 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1x0s h LEU 15 Cb 0.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1x0s h LEU 15 CO -0.19 0.82 -0.12 1.23 -0.34 0.00 0.00 178.44 179.84 1x0s h GLY 16 N 1.00 -0.34 -0.02 3.75 0.00 -0.55 0.12 103.07 107.02 1x0s h GLY 16 Ca 0.08 0.13 0.12 0.00 0.00 0.00 0.00 47.33 47.66 1x0s h GLY 16 CO 0.05 -0.13 -0.02 -0.84 0.00 0.00 0.00 176.54 175.60 1x0s h THR 17 N -0.55 0.51 -0.42 4.70 2.02 -0.81 0.15 112.91 118.51 1x0s h THR 17 Ca -0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1x0s h THR 17 Cb 0.41 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1x0s h THR 17 CO 0.06 0.02 0.15 0.00 0.37 0.00 0.00 175.52 176.11 1x0s h ALA 18 N 1.54 0.55 -0.61 6.16 0.00 -1.12 -0.34 119.26 125.43 1x0s h ALA 18 Ca 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1x0s h ALA 18 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1x0s h ALA 18 CO -0.51 0.18 0.13 -0.07 0.00 0.00 0.00 179.25 178.97 1x0s h LEU 19 N 0.54 0.95 0.09 0.00 3.38 0.09 -0.06 115.31 120.29 1x0s h LEU 19 Ca 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x0s h LEU 19 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1x0s h LEU 19 CO -0.01 0.95 -0.04 0.24 0.09 0.00 0.00 178.44 179.67 1x0s h MET 20 N 0.91 -0.12 -0.39 1.13 2.86 -0.91 0.35 114.93 118.76 1x0s h MET 20 Ca 0.19 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.92 1x0s h MET 20 Cb 0.39 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.99 1x0s h MET 20 CO 0.01 0.10 -0.24 0.78 1.06 0.00 0.00 176.91 178.62 1x0s h GLY 21 N -0.32 -0.02 1.32 8.32 0.00 -0.81 0.30 103.07 111.86 1x0s h GLY 21 Ca -0.01 0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1x0s h GLY 21 CO 0.02 -0.20 0.01 1.41 0.00 0.00 0.00 176.54 177.77 1x0s h LEU 22 N -0.17 0.80 -0.86 3.11 3.38 -0.97 -1.65 115.31 118.95 1x0s h LEU 22 Ca 0.19 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1x0s h LEU 22 Cb 0.47 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1x0s h LEU 22 CO -0.49 0.86 0.51 1.23 0.09 0.00 0.00 178.44 180.65 1x0s h GLY 23 N 0.98 1.34 0.78 0.83 0.00 0.11 0.46 103.07 107.57 1x0s h GLY 23 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1x0s h GLY 23 CO 0.02 0.17 -0.18 -0.84 0.00 0.00 0.00 176.54 175.72 1x0s h THR 24 N 0.88 0.63 -0.50 4.70 2.02 -0.01 -1.97 112.91 118.66 1x0s h THR 24 Ca 0.41 -0.40 0.10 0.00 0.77 0.00 0.00 66.41 67.29 1x0s h THR 24 Cb 0.32 0.83 -0.10 0.00 -1.74 0.00 0.00 68.15 67.46 1x0s h THR 24 CO -0.23 0.08 -0.19 -0.07 0.37 0.00 0.00 175.52 175.48 1x0s h LEU 25 N -0.72 -0.68 -0.42 2.58 3.38 -0.40 0.47 115.31 119.53 1x0s h LEU 25 Ca -0.05 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1x0s h LEU 25 Cb 0.50 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1x0s h LEU 25 CO 0.08 -0.22 0.27 0.22 0.09 0.00 0.00 178.44 178.87 1x0s h TYR 26 N -0.08 0.50 -0.19 1.13 3.20 -0.08 0.22 116.97 121.67 1x0s h TYR 26 Ca 0.24 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 1x0s h TYR 26 Cb 0.44 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1x0s h TYR 26 CO -0.48 0.30 -0.33 0.74 -1.64 0.00 0.00 178.16 176.76 1x0s h PHE 27 N 0.54 0.45 0.01 -3.82 0.04 -0.51 -2.96 116.94 110.69 1x0s h PHE 27 Ca 0.16 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1x0s h PHE 27 Cb -0.03 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1x0s h PHE 27 CO -0.06 0.68 -0.00 -0.07 -0.60 0.00 0.00 178.31 178.26 1x0s h LEU 28 N 0.34 -0.01 -5.65 1.54 3.38 0.38 -3.22 115.31 112.07 1x0s h LEU 28 Ca 0.04 -0.29 -0.70 0.00 0.09 0.00 0.00 57.88 57.02 1x0s h LEU 28 Cb 0.75 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1x0s h LEU 28 CO 0.06 0.29 3.30 0.52 0.09 0.00 0.00 178.44 182.70 1x0s n VAL 29 N -4.95 3.91 0.00 1.22 0.31 0.72 -3.13 118.33 116.41 1x0s n VAL 29 Ca -0.08 -3.00 0.00 0.00 -0.01 0.00 0.00 64.34 61.25 1x0s n VAL 29 Cb 0.17 -2.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.52 1x0s n VAL 29 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1x0s n LYS 30 N 4.84 0.00 -0.32 5.55 4.81 -1.24 -4.87 118.16 126.93 1x0s n LYS 30 Ca 0.62 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 58.14 1x0s n LYS 30 Cb 0.32 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.61 1x0s n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x0s n GLY 31 N -0.09 2.81 0.49 3.14 0.00 -1.18 -4.67 105.19 105.68 1x0s n GLY 31 Ca 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 1x0s n GLY 31 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x0s h MET 32 N 2.92 -1.02 -2.55 1.61 2.86 -1.87 -3.23 114.93 113.65 1x0s h MET 32 Ca 0.00 0.07 -0.81 0.00 -2.06 0.00 0.00 59.70 56.90 1x0s h MET 32 Cb 0.97 0.23 -0.28 0.00 0.06 0.00 0.00 31.60 32.59 1x0s h MET 32 CO 0.05 -0.68 0.92 0.41 1.06 0.00 0.00 176.91 178.67 1x0s n GLY 33 N -1.58 5.70 3.13 8.32 0.00 -1.26 -4.93 105.19 114.57 1x0s n GLY 33 Ca -0.13 -2.62 -0.34 0.00 0.00 0.00 0.00 46.02 42.93 1x0s n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0s s VAL 34 N -3.64 2.66 0.01 1.61 1.01 -1.22 -4.98 120.40 115.84 1x0s s VAL 34 Ca 0.35 -1.51 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 1x0s s VAL 34 Cb 0.13 -2.56 -0.22 0.00 0.00 0.00 0.00 36.38 33.73 1x0s s VAL 34 CO -0.02 -0.10 1.13 0.77 0.00 0.00 0.00 175.10 176.89 1x0s h SER 35 N 7.90 0.49 -0.46 3.32 4.64 -1.93 -3.45 113.55 124.07 1x0s h SER 35 Ca -0.20 -0.72 -0.68 0.00 -0.47 0.00 0.00 61.79 59.73 1x0s h SER 35 Cb 1.05 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 1x0s h SER 35 CO 0.51 1.13 1.44 -0.67 -0.87 0.00 0.00 176.83 178.37 1x0s n ASP 36 N -4.29 1.23 -0.19 4.97 -0.08 -1.26 -4.82 116.55 112.10 1x0s n ASP 36 Ca -0.09 0.44 0.15 0.00 -1.51 0.00 0.00 54.79 53.78 1x0s n ASP 36 Cb 0.61 -1.06 0.49 0.00 2.34 0.00 0.00 41.12 43.49 1x0s n ASP 36 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x0s h PRO 37 N 11.22 0.44 -0.07 -0.67 0.13 -1.97 0.87 132.00 141.96 1x0s h PRO 37 Ca -0.16 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1x0s h PRO 37 Cb 1.36 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1x0s h PRO 37 CO 1.12 0.29 -0.38 -0.44 -0.23 0.00 0.00 178.00 178.36 1x0s h ASP 38 N 0.46 0.46 -0.70 1.44 5.19 -1.88 -2.81 116.42 118.58 1x0s h ASP 38 Ca 0.40 -0.66 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1x0s h ASP 38 Cb 0.88 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.22 1x0s h ASP 38 CO -0.14 1.04 0.43 0.00 -3.12 0.00 0.00 179.24 177.46 1x0s h ALA 39 N 0.43 1.43 -0.63 3.45 0.00 -0.95 -1.63 119.26 121.36 1x0s h ALA 39 Ca -0.03 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1x0s h ALA 39 Cb 1.04 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1x0s h ALA 39 CO 0.08 0.50 0.32 -0.22 0.00 0.00 0.00 179.25 179.93 1x0s h LYS 40 N 0.97 0.57 -0.20 0.00 3.64 -0.80 -0.70 116.57 120.05 1x0s h LYS 40 Ca 0.26 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1x0s h LYS 40 Cb -0.05 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1x0s h LYS 40 CO -0.05 0.38 0.12 0.87 -2.27 0.00 0.00 179.45 178.50 1x0s h LYS 41 N 0.59 0.28 -0.77 1.90 1.57 -1.05 -1.13 116.57 117.96 1x0s h LYS 41 Ca 0.29 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 1x0s h LYS 41 Cb 0.23 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1x0s h LYS 41 CO -0.21 0.23 0.48 0.74 -0.57 0.00 0.00 179.45 180.13 1x0s h PHE 42 N 0.24 0.90 -0.28 -1.35 0.04 -0.87 0.86 116.94 116.48 1x0s h PHE 42 Ca 0.07 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 1x0s h PHE 42 Cb 0.03 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 1x0s h PHE 42 CO -0.05 0.51 0.01 1.88 -0.60 0.00 0.00 178.31 180.06 1x0s h TYR 43 N 0.93 0.53 0.53 -0.55 -1.99 -0.98 0.42 116.97 115.87 1x0s h TYR 43 Ca 0.31 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.94 1x0s h TYR 43 Cb 0.04 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.61 1x0s h TYR 43 CO -0.04 0.63 -0.46 0.00 -0.00 0.00 0.00 178.16 178.29 1x0s h ALA 44 N 0.83 -1.06 0.20 3.88 0.00 -0.64 0.62 119.26 123.09 1x0s h ALA 44 Ca 0.08 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x0s h ALA 44 Cb 0.41 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1x0s h ALA 44 CO 0.01 -1.13 -0.39 0.82 0.00 0.00 0.00 179.25 178.56 1x0s h ILE 45 N -0.98 0.20 -0.56 0.00 2.04 -0.84 -1.70 117.51 115.67 1x0s h ILE 45 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1x0s h ILE 45 Cb 0.84 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1x0s h ILE 45 CO -0.02 0.00 0.34 0.74 0.00 0.00 0.00 178.15 179.21 1x0s h THR 46 N -0.68 1.07 -0.88 -0.27 2.02 -0.79 -2.75 112.91 110.64 1x0s h THR 46 Ca 0.01 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1x0s h THR 46 Cb 0.67 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1x0s h THR 46 CO -0.18 0.12 0.46 0.74 0.37 0.00 0.00 175.52 177.03 1x0s h THR 47 N 0.68 1.26 0.00 3.16 2.02 0.42 -2.47 112.91 117.98 1x0s h THR 47 Ca 0.22 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1x0s h THR 47 Cb 0.01 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1x0s h THR 47 CO -0.09 0.30 -0.06 -0.07 0.37 0.00 0.00 175.52 175.96 1x0s h LEU 48 N 1.24 0.00 0.59 2.58 3.38 -1.01 -2.79 115.31 119.30 1x0s h LEU 48 Ca 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1x0s h LEU 48 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1x0s h LEU 48 CO -0.04 0.06 -0.28 0.58 0.09 0.00 0.00 178.44 178.84 1x0s h VAL 49 N 0.00 0.30 -0.29 1.22 2.07 -1.32 -2.22 116.25 116.01 1x0s h VAL 49 Ca -0.00 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1x0s h VAL 49 Cb 0.20 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1x0s h VAL 49 CO 0.01 0.03 -0.05 1.55 0.02 0.00 0.00 177.57 179.13 1x0s h PRO 50 N -1.01 0.46 -0.57 1.57 0.13 -1.64 -1.74 132.00 129.20 1x0s h PRO 50 Ca -0.08 -0.11 0.03 0.00 -0.87 0.00 0.00 66.00 64.97 1x0s h PRO 50 Cb 0.67 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 1x0s h PRO 50 CO 0.13 0.53 0.34 0.00 -0.23 0.00 0.00 178.00 178.78 1x0s h ALA 51 N 1.51 0.73 -0.18 -0.56 0.00 -1.47 0.14 119.26 119.43 1x0s h ALA 51 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1x0s h ALA 51 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1x0s h ALA 51 CO 0.02 0.07 -0.02 0.82 0.00 0.00 0.00 179.25 180.13 1x0s h ILE 52 N 0.68 1.27 -1.00 0.00 2.04 -1.13 -2.70 117.51 116.66 1x0s h ILE 52 Ca 0.23 -0.94 0.22 0.00 1.00 0.00 0.00 64.86 65.36 1x0s h ILE 52 Cb 0.03 1.54 -0.12 0.00 -0.74 0.00 0.00 36.82 37.53 1x0s h ILE 52 CO -0.10 0.28 0.60 0.00 0.00 0.00 0.00 178.15 178.94 1x0s h ALA 53 N 0.75 1.73 -0.23 1.87 0.00 -0.73 -0.79 119.26 121.87 1x0s h ALA 53 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1x0s h ALA 53 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1x0s h ALA 53 CO 0.01 -0.15 0.12 0.35 0.00 0.00 0.00 179.25 179.58 1x0s h PHE 54 N 0.68 0.31 -0.67 0.00 3.57 -0.43 0.11 116.94 120.52 1x0s h PHE 54 Ca 0.61 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 62.02 1x0s h PHE 54 Cb 1.05 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1x0s h PHE 54 CO -0.01 0.29 0.10 1.79 -2.23 0.00 0.00 178.31 178.26 1x0s h THR 55 N 0.25 1.26 -0.07 4.41 1.35 -0.95 -1.41 112.91 117.76 1x0s h THR 55 Ca 0.08 -1.05 -0.18 0.00 -0.55 0.00 0.00 66.41 64.71 1x0s h THR 55 Cb 0.08 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1x0s h THR 55 CO -0.01 0.39 -0.72 0.24 -0.25 0.00 0.00 175.52 175.17 1x0s h MET 56 N 1.04 0.35 -0.20 4.72 2.86 -1.15 -2.44 114.93 120.11 1x0s h MET 56 Ca 0.20 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1x0s h MET 56 Cb 0.45 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1x0s h MET 56 CO 0.01 0.93 -0.24 1.88 1.06 0.00 0.00 176.91 180.55 1x0s h TYR 57 N 0.23 0.41 -0.10 -0.22 -1.99 -0.57 -2.46 116.97 112.27 1x0s h TYR 57 Ca -0.03 -0.08 -0.09 0.00 2.00 0.00 0.00 58.73 60.53 1x0s h TYR 57 Cb 1.29 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.91 1x0s h TYR 57 CO 0.04 0.58 -0.36 1.25 -0.00 0.00 0.00 178.16 179.67 1x0s h LEU 58 N 0.33 0.21 -0.85 3.88 5.85 -1.10 -1.34 115.31 122.29 1x0s h LEU 58 Ca 0.05 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1x0s h LEU 58 Cb 0.60 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1x0s h LEU 58 CO 0.04 0.56 -0.57 0.77 -0.34 0.00 0.00 178.44 178.90 1x0s h SER 59 N 0.18 0.00 -0.03 1.25 4.64 -0.99 0.09 113.55 118.69 1x0s h SER 59 Ca 0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 1x0s h SER 59 Cb 0.72 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1x0s h SER 59 CO 0.05 0.57 -0.48 0.24 -0.87 0.00 0.00 176.83 176.34 1x0s h MET 60 N 0.00 0.38 -0.40 4.77 2.86 -1.09 0.27 114.93 121.71 1x0s h MET 60 Ca -0.01 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1x0s h MET 60 Cb 1.02 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 1x0s h MET 60 CO 0.07 1.03 0.25 1.25 1.06 0.00 0.00 176.91 180.58 1x0s h LEU 61 N -0.14 0.42 0.00 1.22 5.85 -1.12 -1.79 115.31 119.75 1x0s h LEU 61 Ca -0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1x0s h LEU 61 Cb 1.18 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1x0s h LEU 61 CO 0.10 0.31 0.00 0.18 -0.34 0.00 0.00 178.44 178.68 1x0s n LEU 62 N -4.83 0.00 0.00 2.25 4.77 0.01 -4.90 117.00 114.29 1x0s n LEU 62 Ca 0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1x0s n LEU 62 Cb 0.04 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1x0s n LEU 62 CO 0.34 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1x0s n GLY 63 N 0.71 1.43 0.16 -0.72 0.00 -0.67 -4.95 105.19 101.14 1x0s n GLY 63 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1x0s n GLY 63 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1x0s h TYR 64 N 0.00 -0.27 0.00 1.61 3.20 -0.83 -3.18 116.97 117.50 1x0s h TYR 64 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1x0s h TYR 64 Cb 0.00 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1x0s h TYR 64 CO 0.00 0.08 0.00 0.41 -1.64 0.00 0.00 178.16 177.01 1x0s n GLY 65 N -0.15 -0.26 3.87 1.82 0.00 0.22 -4.63 105.19 106.06 1x0s n GLY 65 Ca -0.09 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1x0s n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x0s s LEU 66 N -2.44 4.41 0.35 0.99 0.20 -1.20 -0.65 118.68 120.34 1x0s s LEU 66 Ca 0.01 0.57 0.06 0.00 0.69 0.00 0.00 54.13 55.47 1x0s s LEU 66 Cb 0.01 -2.19 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 1x0s s LEU 66 CO 0.02 0.39 0.24 0.28 -0.29 0.00 0.00 176.35 176.98 1x0s s THR 67 N -1.05 0.15 -0.09 3.68 -1.32 -0.48 -4.94 115.64 111.59 1x0s s THR 67 Ca 0.17 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.67 1x0s s THR 67 Cb -0.13 -2.44 0.02 0.00 -1.51 0.00 0.00 72.50 68.43 1x0s s THR 67 CO 0.06 0.00 -0.13 -0.04 -2.21 0.00 0.00 174.62 172.30 1x0s s MET 68 N -3.52 1.95 -0.07 7.08 -1.94 -1.26 -1.14 119.30 120.41 1x0s s MET 68 Ca 0.36 -0.47 0.05 0.00 -1.71 0.00 0.00 55.69 53.92 1x0s s MET 68 Cb 0.02 -1.68 -0.01 0.00 2.01 0.00 0.00 34.83 35.17 1x0s s MET 68 CO 0.24 -0.06 -0.22 0.08 -0.01 0.00 0.00 175.02 175.05 1x0s s VAL 69 N 0.97 2.32 -0.26 -6.03 1.01 0.13 -4.84 120.40 113.70 1x0s s VAL 69 Ca -0.08 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 1x0s s VAL 69 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1x0s s VAL 69 CO -0.01 0.57 0.51 -2.16 0.00 0.00 0.00 175.10 174.01 1x0s s PRO 70 N -0.13 4.07 -0.22 2.72 0.04 -1.26 0.75 135.00 140.97 1x0s s PRO 70 Ca -0.04 0.31 -0.27 0.00 0.04 0.00 0.00 61.00 61.03 1x0s s PRO 70 Cb -0.14 -3.65 0.13 0.00 0.04 0.00 0.00 34.50 30.88 1x0s s PRO 70 CO 0.04 -0.34 1.03 -0.59 0.04 0.00 0.00 177.00 177.18 1x0s s PHE 71 N 2.27 -0.41 0.00 0.56 -0.12 0.34 -4.57 117.98 116.04 1x0s s PHE 71 Ca 0.21 0.87 0.00 0.00 -0.05 0.00 0.00 56.93 57.96 1x0s s PHE 71 Cb -0.16 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 1x0s s PHE 71 CO 0.09 -0.28 0.00 0.41 -0.05 0.00 0.00 175.22 175.39 1x0s n GLY 72 N 1.48 0.50 2.93 1.99 0.00 -1.26 -3.56 105.19 107.27 1x0s n GLY 72 Ca -0.11 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1x0s n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x0s n GLY 73 N -2.48 -0.13 3.69 -0.02 0.00 -1.26 -4.99 105.19 99.99 1x0s n GLY 73 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1x0s n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x0s s GLU 74 N -5.64 0.39 0.18 1.61 -1.05 -1.23 -5.15 118.70 107.81 1x0s s GLU 74 Ca 0.29 -0.23 -0.21 0.00 -0.15 0.00 0.00 54.97 54.67 1x0s s GLU 74 Cb -0.13 0.13 -0.08 0.00 -0.44 0.00 0.00 34.13 33.61 1x0s s GLU 74 CO 0.53 -0.18 0.72 -0.65 0.95 0.00 0.00 175.26 176.63 1x0s s GLN 75 N -2.33 4.35 -0.03 -4.83 -1.52 -1.26 -0.50 119.66 113.53 1x0s s GLN 75 Ca 0.17 0.94 0.02 0.00 -1.95 0.00 0.00 55.36 54.54 1x0s s GLN 75 Cb 0.04 -3.05 0.01 0.00 -0.22 0.00 0.00 33.01 29.78 1x0s s GLN 75 CO -0.03 0.49 -0.08 -0.80 -0.25 0.00 0.00 175.29 174.62 1x0s s ASN 76 N -1.42 1.09 -0.63 5.90 0.01 0.23 -4.91 114.94 115.22 1x0s s ASN 76 Ca 0.39 -0.17 -0.28 0.00 -0.71 0.00 0.00 52.86 52.09 1x0s s ASN 76 Cb -0.19 -0.33 0.02 0.00 0.41 0.00 0.00 41.25 41.17 1x0s s ASN 76 CO 0.22 0.04 1.31 -2.16 -1.51 0.00 0.00 177.10 175.00 1x0s s PRO 77 N 0.30 3.32 -0.27 -0.60 0.04 -1.26 0.19 135.00 136.73 1x0s s PRO 77 Ca -0.04 0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.15 1x0s s PRO 77 Cb -0.09 -4.11 0.04 0.00 0.04 0.00 0.00 34.50 30.38 1x0s s PRO 77 CO 0.00 -1.94 -0.05 0.42 0.04 0.00 0.00 177.00 175.48 1x0s s ILE 78 N 5.67 2.82 -0.85 0.56 -1.09 -0.29 -4.91 121.20 123.12 1x0s s ILE 78 Ca 0.44 -1.24 -0.25 0.00 -2.23 0.00 0.00 60.65 57.37 1x0s s ILE 78 Cb -0.09 -2.53 0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1x0s s ILE 78 CO 0.22 0.06 1.47 -0.31 -1.23 0.00 0.00 174.94 175.14 1x0s s TYR 79 N 1.27 2.27 0.15 3.97 2.02 -1.26 -1.39 117.35 124.38 1x0s s TYR 79 Ca -0.03 -0.21 0.15 0.00 -0.37 0.00 0.00 57.07 56.61 1x0s s TYR 79 Cb -0.18 -4.55 0.43 0.00 -0.40 0.00 0.00 41.96 37.26 1x0s s TYR 79 CO -0.03 -2.02 1.62 0.11 -1.57 0.00 0.00 175.55 173.66 1x0s h TRP 80 N 10.56 0.00 -0.57 2.71 5.08 -1.25 -3.26 115.95 129.21 1x0s h TRP 80 Ca -0.06 0.00 0.17 0.00 1.08 0.00 0.00 58.89 60.08 1x0s h TRP 80 Cb 1.04 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.18 1x0s h TRP 80 CO 1.19 0.51 0.59 0.00 -1.28 0.00 0.00 178.44 179.45 1x0s h ALA 81 N 1.49 2.34 -0.81 0.11 0.00 -1.82 -0.74 119.26 119.83 1x0s h ALA 81 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1x0s h ALA 81 Cb 1.09 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1x0s h ALA 81 CO 0.07 -0.88 0.54 0.00 0.00 0.00 0.00 179.25 178.97 1x0s h ARG 82 N 0.00 0.99 -0.25 0.00 3.08 -1.88 0.06 114.38 116.38 1x0s h ARG 82 Ca 0.27 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 60.06 1x0s h ARG 82 Cb 1.44 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1x0s h ARG 82 CO -0.00 0.65 -0.62 1.88 -1.07 0.00 0.00 179.97 180.81 1x0s h TYR 83 N 1.02 1.10 -0.98 3.04 -1.99 -1.40 0.78 116.97 118.54 1x0s h TYR 83 Ca 0.32 -0.42 0.04 0.00 2.00 0.00 0.00 58.73 60.67 1x0s h TYR 83 Cb 0.02 -0.20 -0.06 0.00 2.00 0.00 0.00 36.73 38.50 1x0s h TYR 83 CO -0.00 1.26 0.64 0.00 -0.00 0.00 0.00 178.16 180.06 1x0s h ALA 84 N 0.64 1.30 0.02 3.88 0.00 -1.37 0.17 119.26 123.91 1x0s h ALA 84 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x0s h ALA 84 Cb 1.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x0s h ALA 84 CO 0.14 0.52 -0.01 0.22 0.00 0.00 0.00 179.25 180.11 1x0s h ASP 85 N 1.23 -0.03 -0.86 0.00 1.82 -0.78 -3.32 116.42 114.48 1x0s h ASP 85 Ca 0.39 0.00 0.19 0.00 -0.39 0.00 0.00 57.03 57.22 1x0s h ASP 85 Cb 0.01 0.01 -0.11 0.00 0.68 0.00 0.00 39.33 39.92 1x0s h ASP 85 CO -0.13 -0.02 0.37 -0.50 -1.61 0.00 0.00 179.24 177.36 1x0s h TRP 86 N -0.04 0.62 -1.50 0.28 6.55 -0.78 -1.75 115.95 119.34 1x0s h TRP 86 Ca -0.00 0.04 0.46 0.00 0.95 0.00 0.00 58.89 60.33 1x0s h TRP 86 Cb 0.02 -0.14 -0.10 0.00 -0.86 0.00 0.00 29.16 28.08 1x0s h TRP 86 CO 0.17 0.01 1.02 1.25 -1.05 0.00 0.00 178.44 179.84 1x0s h LEU 87 N 0.44 0.14 0.00 -4.49 5.85 -0.76 0.43 115.31 116.92 1x0s h LEU 87 Ca 0.51 0.07 -0.31 0.00 0.84 0.00 0.00 57.88 59.00 1x0s h LEU 87 Cb 0.89 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1x0s h LEU 87 CO -0.48 -0.09 -2.14 0.49 -0.34 0.00 0.00 178.44 175.88 1x0s n PHE 88 N -4.38 0.00 -0.04 1.25 3.72 -0.73 -4.51 117.46 112.76 1x0s n PHE 88 Ca 0.37 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.72 1x0s n PHE 88 Cb 1.57 -0.76 0.15 0.00 -0.94 0.00 0.00 39.48 39.49 1x0s n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1x0s h THR 89 N -0.10 1.27 -0.55 4.37 1.35 -0.71 -2.62 112.91 115.91 1x0s h THR 89 Ca -0.46 -1.27 -0.08 0.00 -0.55 0.00 0.00 66.41 64.05 1x0s h THR 89 Cb 1.66 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 1x0s h THR 89 CO -0.10 0.42 0.01 0.71 -0.25 0.00 0.00 175.52 176.31 1x0s h THR 90 N 0.56 1.26 -0.30 6.82 1.35 -1.19 -0.61 112.91 120.81 1x0s h THR 90 Ca 0.08 -1.09 -0.04 0.00 -0.55 0.00 0.00 66.41 64.81 1x0s h THR 90 Cb 0.67 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1x0s h THR 90 CO 0.05 0.39 0.01 -0.65 -0.25 0.00 0.00 175.52 175.07 1x0s h PRO 91 N 0.84 0.52 -0.53 4.72 0.11 -1.75 -1.16 132.00 134.75 1x0s h PRO 91 Ca 0.16 -0.16 0.10 0.00 0.11 0.00 0.00 66.00 66.21 1x0s h PRO 91 Cb 0.52 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.50 1x0s h PRO 91 CO 0.03 0.65 0.04 -0.07 -0.21 0.00 0.00 178.00 178.44 1x0s h LEU 92 N 0.32 -0.14 -0.28 2.35 3.38 -1.29 0.93 115.31 120.58 1x0s h LEU 92 Ca 0.09 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1x0s h LEU 92 Cb 0.41 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1x0s h LEU 92 CO 0.01 -0.05 0.15 -0.07 0.09 0.00 0.00 178.44 178.58 1x0s h LEU 93 N 0.16 0.24 -0.51 1.67 3.38 -0.89 -1.22 115.31 118.13 1x0s h LEU 93 Ca 0.27 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1x0s h LEU 93 Cb 0.41 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1x0s h LEU 93 CO -0.41 0.17 0.23 -0.07 0.09 0.00 0.00 178.44 178.46 1x0s h LEU 94 N 0.31 0.31 -0.82 1.67 4.07 0.33 -0.95 115.31 120.23 1x0s h LEU 94 Ca 0.11 0.04 0.10 0.00 0.08 0.00 0.00 57.88 58.21 1x0s h LEU 94 Cb 0.01 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.66 1x0s h LEU 94 CO -0.06 0.21 0.46 0.25 -1.08 0.00 0.00 178.44 178.22 1x0s h LEU 95 N 0.46 0.64 -0.27 1.67 5.85 0.13 -0.59 115.31 123.19 1x0s h LEU 95 Ca 0.23 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1x0s h LEU 95 Cb 0.18 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1x0s h LEU 95 CO -0.19 0.35 -0.12 0.44 -0.34 0.00 0.00 178.44 178.58 1x0s h ASP 96 N 0.75 -0.42 -0.74 1.25 3.32 0.02 0.17 116.42 120.78 1x0s h ASP 96 Ca 0.41 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.58 1x0s h ASP 96 Cb 0.42 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 1x0s h ASP 96 CO -0.27 -0.16 0.48 -0.07 -1.72 0.00 0.00 179.24 177.50 1x0s h LEU 97 N -0.09 0.80 -0.54 1.55 -0.00 -0.94 -1.71 115.31 114.39 1x0s h LEU 97 Ca 0.14 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.98 1x0s h LEU 97 Cb 0.30 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1x0s h LEU 97 CO -0.32 0.57 0.21 0.00 -0.00 0.00 0.00 178.44 178.90 1x0s h ALA 98 N 1.29 0.70 -0.07 1.53 0.00 -0.28 -1.46 119.26 120.97 1x0s h ALA 98 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1x0s h ALA 98 Cb -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1x0s h ALA 98 CO -0.09 0.32 0.02 -0.07 0.00 0.00 0.00 179.25 179.44 1x0s h LEU 99 N 0.74 0.10 -0.70 0.00 3.38 -0.77 0.35 115.31 118.41 1x0s h LEU 99 Ca 0.18 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.08 1x0s h LEU 99 Cb 0.21 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 1x0s h LEU 99 CO -0.01 0.28 0.25 0.25 0.09 0.00 0.00 178.44 179.29 1x0s h LEU 100 N -0.07 0.21 -1.61 1.67 5.85 -1.21 -1.76 115.31 118.37 1x0s h LEU 100 Ca 0.02 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1x0s h LEU 100 Cb 0.21 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1x0s h LEU 100 CO -0.00 0.09 0.00 0.55 -0.34 0.00 0.00 178.44 178.74 1x0s n VAL 101 N -5.03 0.17 -3.51 1.05 3.14 -0.56 -4.99 118.33 108.60 1x0s n VAL 101 Ca 0.12 -0.47 -0.25 0.00 -2.96 0.00 0.00 64.34 60.78 1x0s n VAL 101 Cb 0.37 0.88 0.05 0.00 -1.06 0.00 0.00 33.84 34.09 1x0s n VAL 101 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1x0s n ASP 102 N 0.88 -5.86 -4.85 6.55 9.92 0.11 -4.56 116.55 118.74 1x0s n ASP 102 Ca 0.17 -0.90 -0.31 0.00 -0.53 0.00 0.00 54.79 53.22 1x0s n ASP 102 Cb 0.48 -4.10 0.01 0.00 -0.64 0.00 0.00 41.12 36.87 1x0s n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x0s s ALA 103 N -3.43 2.98 0.40 2.24 0.00 -0.42 -5.03 121.76 118.50 1x0s s ALA 103 Ca 0.47 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1x0s s ALA 103 Cb -0.13 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 1x0s s ALA 103 CO 0.81 -0.70 1.15 -0.51 0.00 0.00 0.00 175.76 176.51 1x0s s ASP 104 N -3.75 6.55 0.29 0.00 1.01 -1.26 -4.89 116.67 114.61 1x0s s ASP 104 Ca 0.57 2.30 0.02 0.00 0.71 0.00 0.00 52.55 56.15 1x0s s ASP 104 Cb -0.12 -2.61 0.58 0.00 1.01 0.00 0.00 42.92 41.79 1x0s s ASP 104 CO 0.48 -0.65 1.83 1.56 0.21 0.00 0.00 175.17 178.60 1x0s h GLN 105 N 2.62 0.94 0.09 8.23 4.20 -1.99 -1.36 115.11 127.82 1x0s h GLN 105 Ca -0.49 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.19 1x0s h GLN 105 Cb 1.23 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 1x0s h GLN 105 CO 0.62 0.62 -0.30 0.78 -0.67 0.00 0.00 178.83 179.88 1x0s h GLY 106 N 0.96 -0.54 1.16 3.46 0.00 -1.99 0.10 103.07 106.23 1x0s h GLY 106 Ca 0.51 0.35 0.00 0.00 0.00 0.00 0.00 47.33 48.20 1x0s h GLY 106 CO -0.28 -0.23 0.53 0.00 0.00 0.00 0.00 176.54 176.55 1x0s h THR 107 N -0.50 1.22 0.05 4.70 1.03 -1.72 0.68 112.91 118.37 1x0s h THR 107 Ca 0.04 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 1x0s h THR 107 Cb 0.54 0.02 -0.00 0.00 -1.07 0.00 0.00 68.15 67.64 1x0s h THR 107 CO -0.20 0.22 -0.03 0.40 -0.01 0.00 0.00 175.52 175.90 1x0s h ILE 108 N 1.14 0.92 -0.38 0.00 2.04 -0.70 0.77 117.51 121.31 1x0s h ILE 108 Ca 0.30 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.22 1x0s h ILE 108 Cb -0.09 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1x0s h ILE 108 CO -0.06 0.00 0.06 0.25 0.00 0.00 0.00 178.15 178.39 1x0s h LEU 109 N -0.08 -0.03 -0.72 1.44 5.85 -0.13 0.51 115.31 122.14 1x0s h LEU 109 Ca -0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1x0s h LEU 109 Cb 0.08 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1x0s h LEU 109 CO -0.00 0.02 0.44 0.00 -0.34 0.00 0.00 178.44 178.56 1x0s h ALA 110 N 1.30 0.92 -0.37 1.25 0.00 -0.37 0.46 119.26 122.45 1x0s h ALA 110 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1x0s h ALA 110 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1x0s h ALA 110 CO -0.26 0.39 0.05 1.25 0.00 0.00 0.00 179.25 180.69 1x0s h LEU 111 N 0.99 0.59 -0.57 0.00 5.85 0.15 -0.68 115.31 121.64 1x0s h LEU 111 Ca 0.26 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1x0s h LEU 111 Cb -0.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1x0s h LEU 111 CO -0.05 0.70 0.22 0.58 -0.34 0.00 0.00 178.44 179.56 1x0s h VAL 112 N 0.45 1.22 0.11 1.05 2.07 0.31 -1.79 116.25 119.67 1x0s h VAL 112 Ca 0.11 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1x0s h VAL 112 Cb 0.37 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1x0s h VAL 112 CO 0.01 0.27 -0.15 1.23 0.02 0.00 0.00 177.57 178.95 1x0s h GLY 113 N 0.78 -0.28 0.13 2.17 0.00 -0.75 -0.69 103.07 104.42 1x0s h GLY 113 Ca 0.19 0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.81 1x0s h GLY 113 CO -0.01 -0.15 0.16 0.00 0.00 0.00 0.00 176.54 176.53 1x0s h ALA 114 N 0.54 0.80 0.02 3.60 0.00 -0.96 -1.43 119.26 121.84 1x0s h ALA 114 Ca 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x0s h ALA 114 Cb 0.31 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x0s h ALA 114 CO -0.06 -0.30 -0.01 0.22 0.00 0.00 0.00 179.25 179.09 1x0s h ASP 115 N 0.28 -0.03 -0.97 0.00 1.82 -0.86 0.24 116.42 116.90 1x0s h ASP 115 Ca 0.35 -0.03 0.08 0.00 -0.39 0.00 0.00 57.03 57.03 1x0s h ASP 115 Cb 0.53 0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.48 1x0s h ASP 115 CO -0.43 0.01 0.62 1.23 -1.61 0.00 0.00 179.24 179.06 1x0s h GLY 116 N -0.07 1.49 0.78 -0.78 0.00 -0.63 0.12 103.07 103.98 1x0s h GLY 116 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1x0s h GLY 116 CO 0.01 0.28 -0.06 -2.22 0.00 0.00 0.00 176.54 174.55 1x0s h ILE 117 N 1.09 1.30 -0.49 2.60 2.04 -0.98 0.53 117.51 123.60 1x0s h ILE 117 Ca 0.43 -1.06 0.10 0.00 1.00 0.00 0.00 64.86 65.33 1x0s h ILE 117 Cb 0.23 1.64 -0.10 0.00 -0.74 0.00 0.00 36.82 37.85 1x0s h ILE 117 CO -0.19 0.32 -0.15 -0.03 0.00 0.00 0.00 178.15 178.09 1x0s h MET 118 N 0.05 -0.03 -0.06 2.37 4.05 0.93 0.78 114.93 123.01 1x0s h MET 118 Ca 0.04 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.34 1x0s h MET 118 Cb 0.51 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1x0s h MET 118 CO 0.02 -0.02 -0.45 0.82 0.23 0.00 0.00 176.91 177.51 1x0s h ILE 119 N -0.03 1.41 -0.54 1.77 1.08 -0.72 -1.50 117.51 118.98 1x0s h ILE 119 Ca 0.24 -1.86 0.11 0.00 -0.39 0.00 0.00 64.86 62.95 1x0s h ILE 119 Cb 0.39 2.37 -0.09 0.00 -3.07 0.00 0.00 36.82 36.43 1x0s h ILE 119 CO -0.52 0.54 0.00 1.23 -0.69 0.00 0.00 178.15 178.71 1x0s h GLY 120 N -0.07 0.56 0.96 5.37 0.00 0.74 0.36 103.07 110.99 1x0s h GLY 120 Ca -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1x0s h GLY 120 CO 0.09 -0.16 0.19 -0.84 0.00 0.00 0.00 176.54 175.83 1x0s h THR 121 N 0.12 1.15 -0.93 4.70 2.02 0.55 -1.11 112.91 119.41 1x0s h THR 121 Ca 0.27 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1x0s h THR 121 Cb 0.42 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1x0s h THR 121 CO -0.45 0.16 0.61 1.23 0.37 0.00 0.00 175.52 177.44 1x0s h GLY 122 N 0.46 1.30 0.78 2.16 0.00 -0.07 0.48 103.07 108.20 1x0s h GLY 122 Ca 0.13 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1x0s h GLY 122 CO -0.02 0.47 -0.01 -2.00 0.00 0.00 0.00 176.54 174.98 1x0s h LEU 123 N 1.25 -0.03 -0.30 3.11 5.85 -0.05 -0.69 115.31 124.45 1x0s h LEU 123 Ca 0.34 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1x0s h LEU 123 Cb -0.14 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1x0s h LEU 123 CO -0.08 0.19 0.00 0.58 -0.34 0.00 0.00 178.44 178.80 1x0s h VAL 124 N -0.25 0.78 -0.22 1.05 2.07 -0.94 -1.85 116.25 116.90 1x0s h VAL 124 Ca -0.00 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1x0s h VAL 124 Cb 0.23 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1x0s h VAL 124 CO 0.00 0.02 -0.17 1.23 0.02 0.00 0.00 177.57 178.67 1x0s h GLY 125 N 0.09 -0.02 1.55 2.17 0.00 -0.75 0.81 103.07 106.91 1x0s h GLY 125 Ca 0.14 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1x0s h GLY 125 CO -0.24 -0.17 0.22 0.00 0.00 0.00 0.00 176.54 176.35 1x0s h ALA 126 N 0.96 1.20 0.00 3.60 0.00 -0.33 -2.50 119.26 122.20 1x0s h ALA 126 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1x0s h ALA 126 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1x0s h ALA 126 CO -0.32 -0.20 -1.00 1.28 0.00 0.00 0.00 179.25 179.00 1x0s n LEU 127 N -2.79 0.27 -4.75 0.00 4.77 0.09 -4.97 117.00 109.61 1x0s n LEU 127 Ca -0.02 -0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 1x0s n LEU 127 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1x0s n LEU 127 CO 0.14 0.07 1.19 0.42 -1.33 0.00 0.00 177.39 177.87 1x0s s THR 128 N -2.40 2.23 0.03 -5.08 -4.23 -0.10 -4.94 115.64 101.15 1x0s s THR 128 Ca 0.00 0.20 0.10 0.00 -1.18 0.00 0.00 61.69 60.81 1x0s s THR 128 Cb 0.08 -3.13 -0.09 0.00 1.34 0.00 0.00 72.50 70.70 1x0s s THR 128 CO 0.46 0.03 1.37 0.11 -0.54 0.00 0.00 174.62 176.06 1x0s h LYS 129 N 4.54 0.00 -6.40 3.99 1.57 -1.90 -3.42 116.57 114.95 1x0s h LYS 129 Ca -0.47 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.76 1x0s h LYS 129 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 1x0s h LYS 129 CO 0.76 0.78 1.05 0.08 -0.57 0.00 0.00 179.45 181.55 1x0s s VAL 130 N -2.88 3.78 0.13 0.50 1.01 -1.26 -4.41 120.40 117.27 1x0s s VAL 130 Ca 0.02 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.35 1x0s s VAL 130 Cb 0.09 -4.86 0.06 0.00 0.00 0.00 0.00 36.38 31.67 1x0s s VAL 130 CO 0.79 -1.73 1.06 0.00 0.00 0.00 0.00 175.10 175.21 1x0s n TYR 131 N 9.24 -0.14 -0.28 5.22 9.36 -1.26 0.60 117.16 139.90 1x0s n TYR 131 Ca 0.04 0.85 0.10 0.00 3.32 0.00 0.00 57.90 62.21 1x0s n TYR 131 Cb 0.49 -0.66 0.24 0.00 -0.63 0.00 0.00 39.34 38.78 1x0s n TYR 131 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1x0s h SER 132 N 0.00 -0.03 0.33 2.98 0.87 -1.96 -0.93 113.55 114.81 1x0s h SER 132 Ca 0.18 0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.86 1x0s h SER 132 Cb 0.35 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1x0s h SER 132 CO -0.66 -0.12 -0.27 1.88 -0.53 0.00 0.00 176.83 177.13 1x0s h TYR 133 N 0.22 0.00 -0.57 2.24 0.05 -0.24 -2.49 116.97 116.18 1x0s h TYR 133 Ca 0.49 0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.42 1x0s h TYR 133 Cb 0.93 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.64 1x0s h TYR 133 CO -0.28 0.27 0.40 0.00 -1.05 0.00 0.00 178.16 177.50 1x0s h ARG 134 N 0.00 0.11 0.00 4.88 3.08 -1.00 -0.66 114.38 120.79 1x0s h ARG 134 Ca -0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1x0s h ARG 134 Cb 0.51 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1x0s h ARG 134 CO 0.04 0.07 -0.24 0.74 -1.07 0.00 0.00 179.97 179.51 1x0s h PHE 135 N 0.11 0.00 0.22 3.04 0.04 -1.55 -2.37 116.94 116.44 1x0s h PHE 135 Ca 0.27 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 1x0s h PHE 135 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1x0s h PHE 135 CO -0.00 0.24 -0.11 0.28 -0.60 0.00 0.00 178.31 178.13 1x0s h VAL 136 N 0.00 0.75 -0.95 -0.55 2.07 -1.24 -1.86 116.25 114.47 1x0s h VAL 136 Ca -0.00 -0.94 0.20 0.00 0.82 0.00 0.00 66.70 66.78 1x0s h VAL 136 Cb 1.07 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 1x0s h VAL 136 CO 0.03 0.17 0.61 -0.50 0.02 0.00 0.00 177.57 177.91 1x0s h TRP 137 N -0.85 0.75 -0.49 1.57 4.06 -1.53 0.44 115.95 119.89 1x0s h TRP 137 Ca -0.03 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 1x0s h TRP 137 Cb 0.51 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.42 1x0s h TRP 137 CO 0.06 0.18 0.17 2.35 -3.56 0.00 0.00 178.44 177.64 1x0s h TRP 138 N 0.55 0.78 -0.01 0.49 7.01 -1.34 0.63 115.95 124.05 1x0s h TRP 138 Ca 0.52 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.46 1x0s h TRP 138 Cb 1.09 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 1x0s h TRP 138 CO -0.00 0.67 -0.04 0.00 -2.79 0.00 0.00 178.44 176.27 1x0s h ALA 139 N 1.02 -0.03 0.10 2.65 0.00 0.67 -0.04 119.26 123.63 1x0s h ALA 139 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x0s h ALA 139 Cb 0.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x0s h ALA 139 CO -0.01 -0.53 -0.05 0.82 0.00 0.00 0.00 179.25 179.48 1x0s h ILE 140 N -0.07 0.91 -0.80 0.00 2.04 -0.92 -0.22 117.51 118.45 1x0s h ILE 140 Ca 0.02 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1x0s h ILE 140 Cb 0.10 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 1x0s h ILE 140 CO -0.05 0.01 0.43 -1.28 0.00 0.00 0.00 178.15 177.25 1x0s h SER 141 N -0.15 0.58 -0.17 1.72 0.87 -0.68 -0.06 113.55 115.66 1x0s h SER 141 Ca -0.01 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 1x0s h SER 141 Cb 0.11 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1x0s h SER 141 CO 0.02 0.31 -0.37 0.74 -0.53 0.00 0.00 176.83 177.01 1x0s h THR 142 N 0.70 1.29 -0.22 2.23 2.02 -0.72 -0.61 112.91 117.59 1x0s h THR 142 Ca 0.40 -1.53 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1x0s h THR 142 Cb 0.43 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1x0s h THR 142 CO -0.28 0.49 0.12 0.00 0.37 0.00 0.00 175.52 176.22 1x0s h ALA 143 N 1.02 0.26 -0.16 6.16 0.00 0.26 0.10 119.26 126.91 1x0s h ALA 143 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1x0s h ALA 143 Cb 0.89 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1x0s h ALA 143 CO 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 179.25 179.05 1x0s h ALA 144 N 1.10 0.14 -0.14 0.00 0.00 -0.87 -2.05 119.26 117.44 1x0s h ALA 144 Ca 0.09 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1x0s h ALA 144 Cb 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1x0s h ALA 144 CO -0.05 -0.44 -0.28 1.98 0.00 0.00 0.00 179.25 180.47 1x0s h MET 145 N 0.06 -0.33 -0.93 0.00 -1.53 -0.57 -2.17 114.93 109.46 1x0s h MET 145 Ca 0.07 0.02 0.18 0.00 -3.44 0.00 0.00 59.70 56.53 1x0s h MET 145 Cb 0.08 0.07 -0.10 0.00 -0.55 0.00 0.00 31.60 31.10 1x0s h MET 145 CO -0.12 -0.22 0.52 -0.07 0.14 0.00 0.00 176.91 177.17 1x0s h LEU 146 N -0.34 0.64 -0.43 3.39 3.38 -0.43 0.11 115.31 121.64 1x0s h LEU 146 Ca 0.10 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1x0s h LEU 146 Cb 0.50 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1x0s h LEU 146 CO -0.33 0.23 0.17 0.22 0.09 0.00 0.00 178.44 178.82 1x0s h TYR 147 N 0.68 0.31 0.28 1.13 3.20 -0.75 -0.86 116.97 120.96 1x0s h TYR 147 Ca 0.53 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.41 1x0s h TYR 147 Cb 0.82 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 1x0s h TYR 147 CO -0.05 0.13 -0.15 0.82 -1.64 0.00 0.00 178.16 177.27 1x0s h ILE 148 N 0.35 0.69 0.00 1.81 2.04 -0.48 -1.89 117.51 120.04 1x0s h ILE 148 Ca 0.19 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 1x0s h ILE 148 Cb 0.16 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1x0s h ILE 148 CO -0.18 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 177.90 1x0s h LEU 149 N -0.40 0.00 0.61 1.44 3.38 -1.06 -0.07 115.31 119.22 1x0s h LEU 149 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1x0s h LEU 149 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1x0s h LEU 149 CO 0.05 0.01 -0.29 0.22 0.09 0.00 0.00 178.44 178.51 1x0s h TYR 150 N 0.00 -0.76 -0.79 1.13 3.20 -0.77 0.37 116.97 119.35 1x0s h TYR 150 Ca -0.00 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.95 1x0s h TYR 150 Cb 0.01 0.25 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 1x0s h TYR 150 CO 0.00 -0.44 0.43 0.28 -1.64 0.00 0.00 178.16 176.79 1x0s h VAL 151 N -1.15 0.87 0.07 1.81 2.07 -1.01 0.11 116.25 119.02 1x0s h VAL 151 Ca -0.08 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1x0s h VAL 151 Cb 0.66 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1x0s h VAL 151 CO 0.14 0.13 -0.03 -0.07 0.02 0.00 0.00 177.57 177.75 1x0s h LEU 152 N 0.71 -0.08 -0.10 2.57 3.38 -1.00 0.31 115.31 121.11 1x0s h LEU 152 Ca 0.39 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1x0s h LEU 152 Cb 0.39 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1x0s h LEU 152 CO -0.26 -0.00 0.00 0.15 0.09 0.00 0.00 178.44 178.42 1x0s h PHE 153 N -0.15 0.18 0.01 1.13 3.57 -0.06 -2.95 116.94 118.67 1x0s h PHE 153 Ca -0.01 -0.03 -0.37 0.00 3.53 0.00 0.00 57.97 61.09 1x0s h PHE 153 Cb 0.12 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1x0s h PHE 153 CO -0.06 0.41 -2.31 1.19 -2.23 0.00 0.00 178.31 175.31 1x0s n PHE 154 N -4.83 0.22 0.04 0.41 3.72 0.32 -3.90 117.46 113.44 1x0s n PHE 154 Ca -0.06 0.06 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1x0s n PHE 154 Cb 0.19 -1.04 -0.01 0.00 -0.94 0.00 0.00 39.48 37.68 1x0s n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1x0s h GLY 155 N 2.93 -0.21 0.95 1.37 0.00 -0.85 -3.27 103.07 103.99 1x0s h GLY 155 Ca -0.52 0.08 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1x0s h GLY 155 CO -0.00 -0.07 0.52 0.74 0.00 0.00 0.00 176.54 177.72 1x0s h PHE 156 N -0.92 0.98 -0.61 5.60 -1.00 -0.37 -2.28 116.94 118.34 1x0s h PHE 156 Ca -0.02 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.89 1x0s h PHE 156 Cb 0.15 -0.33 -0.08 0.00 3.61 0.00 0.00 35.95 39.31 1x0s h PHE 156 CO 0.01 0.59 0.20 1.15 -1.61 0.00 0.00 178.31 178.65 1x0s h THR 157 N 1.04 0.73 -0.53 -1.55 2.02 -1.65 0.28 112.91 113.24 1x0s h THR 157 Ca 0.30 -0.13 0.08 0.00 0.77 0.00 0.00 66.41 67.44 1x0s h THR 157 Cb -0.06 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 66.61 1x0s h THR 157 CO -0.09 0.07 0.17 -1.28 0.37 0.00 0.00 175.52 174.76 1x0s h SER 158 N 0.37 0.15 0.57 4.18 0.87 -1.47 -0.55 113.55 117.66 1x0s h SER 158 Ca 0.31 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.90 1x0s h SER 158 Cb 0.41 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1x0s h SER 158 CO -0.34 0.10 -0.20 0.11 -0.53 0.00 0.00 176.83 175.98 1x0s h LYS 159 N 0.34 0.00 -0.02 2.24 1.79 -0.83 -2.76 116.57 117.33 1x0s h LYS 159 Ca 0.26 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.59 1x0s h LYS 159 Cb 0.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1x0s h LYS 159 CO -0.29 0.20 -0.66 0.00 -1.08 0.00 0.00 179.45 177.62 1x0s h ALA 160 N 1.80 0.85 0.00 3.86 0.00 0.58 -3.15 119.26 123.20 1x0s h ALA 160 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1x0s h ALA 160 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x0s h ALA 160 CO 0.03 0.80 0.00 -1.91 0.00 0.00 0.00 179.25 178.17 1x0s n GLU 161 N -3.78 0.14 0.00 0.00 4.07 -0.84 -1.13 120.64 119.10 1x0s n GLU 161 Ca -0.02 0.61 0.11 0.00 -0.06 0.00 0.00 57.16 57.80 1x0s n GLU 161 Cb 0.66 -1.93 0.01 0.00 -0.06 0.00 0.00 31.44 30.12 1x0s n GLU 161 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1x0s n SER 162 N -2.21 0.77 -4.57 4.31 3.41 -1.19 -4.93 113.62 109.20 1x0s n SER 162 Ca -0.01 -0.65 -0.26 0.00 -0.26 0.00 0.00 58.87 57.69 1x0s n SER 162 Cb 0.05 0.79 0.12 0.00 -0.26 0.00 0.00 64.21 64.91 1x0s n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1x0s s MET 163 N -3.04 1.48 0.52 4.33 -1.94 -0.28 -5.04 119.30 115.32 1x0s s MET 163 Ca 0.08 -0.63 -0.20 0.00 -1.71 0.00 0.00 55.69 53.23 1x0s s MET 163 Cb 0.16 -2.12 -0.07 0.00 2.01 0.00 0.00 34.83 34.81 1x0s s MET 163 CO 0.81 -1.71 1.12 -0.98 -0.01 0.00 0.00 175.02 174.25 1x0s s ARG 164 N -5.42 3.52 0.40 2.03 1.70 -1.26 -4.72 118.95 115.20 1x0s s ARG 164 Ca 0.67 1.59 0.25 0.00 -0.47 0.00 0.00 55.73 57.77 1x0s s ARG 164 Cb -0.06 -2.10 1.39 0.00 -0.57 0.00 0.00 34.95 33.60 1x0s s ARG 164 CO 0.47 -0.71 1.59 -1.00 -1.08 0.00 0.00 175.30 174.57 1x0s h PRO 165 N 1.44 0.03 0.04 3.89 0.13 -1.96 0.89 132.00 136.47 1x0s h PRO 165 Ca -0.50 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1x0s h PRO 165 Cb 1.25 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1x0s h PRO 165 CO 0.58 0.02 -0.19 0.93 -0.23 0.00 0.00 178.00 179.10 1x0s h GLU 166 N 0.03 -0.33 -0.42 0.86 5.08 -1.99 -1.47 114.58 116.35 1x0s h GLU 166 Ca 0.85 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 59.19 1x0s h GLU 166 Cb 2.43 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.73 1x0s h GLU 166 CO -0.64 -0.22 0.08 0.28 -1.00 0.00 0.00 179.01 177.52 1x0s h VAL 167 N -0.34 1.24 -0.56 3.13 2.07 -1.17 -1.79 116.25 118.83 1x0s h VAL 167 Ca 0.04 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.78 1x0s h VAL 167 Cb 0.39 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1x0s h VAL 167 CO -0.15 0.29 0.27 0.00 0.02 0.00 0.00 177.57 178.01 1x0s h ALA 168 N 0.95 0.72 -0.20 1.67 0.00 -1.24 -0.08 119.26 121.08 1x0s h ALA 168 Ca 0.13 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1x0s h ALA 168 Cb 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x0s h ALA 168 CO 0.01 -0.08 -0.25 0.66 0.00 0.00 0.00 179.25 179.58 1x0s h SER 169 N 0.52 0.56 -0.26 0.00 4.64 -1.16 -1.17 113.55 116.68 1x0s h SER 169 Ca 0.25 -0.50 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1x0s h SER 169 Cb 0.19 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1x0s h SER 169 CO -0.19 0.95 0.15 0.74 -0.87 0.00 0.00 176.83 177.61 1x0s h THR 170 N 0.18 1.09 -0.56 2.95 2.02 -1.16 -1.46 112.91 115.96 1x0s h THR 170 Ca 0.02 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.05 1x0s h THR 170 Cb 0.81 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 1x0s h THR 170 CO 0.06 0.09 0.23 0.15 0.37 0.00 0.00 175.52 176.42 1x0s h PHE 171 N 0.32 0.41 -0.53 3.16 3.57 -1.00 -0.30 116.94 122.58 1x0s h PHE 171 Ca 0.09 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.71 1x0s h PHE 171 Cb 0.02 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.58 1x0s h PHE 171 CO -0.05 0.14 0.09 0.87 -2.23 0.00 0.00 178.31 177.14 1x0s h LYS 172 N 0.43 0.21 0.58 1.11 1.79 -0.36 0.91 116.57 121.25 1x0s h LYS 172 Ca 0.27 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.70 1x0s h LYS 172 Cb 0.28 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1x0s h LYS 172 CO -0.25 0.14 -0.28 0.28 -1.08 0.00 0.00 179.45 178.26 1x0s h VAL 173 N 0.22 0.42 -0.61 0.50 2.07 -0.43 -1.12 116.25 117.30 1x0s h VAL 173 Ca 0.27 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.85 1x0s h VAL 173 Cb 0.39 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1x0s h VAL 173 CO -0.37 0.01 0.16 -0.07 0.02 0.00 0.00 177.57 177.32 1x0s h LEU 174 N -0.81 0.08 -0.10 2.57 3.38 -0.54 0.20 115.31 120.09 1x0s h LEU 174 Ca -0.08 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1x0s h LEU 174 Cb 0.61 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1x0s h LEU 174 CO 0.13 0.05 -0.10 -0.09 0.09 0.00 0.00 178.44 178.52 1x0s h ARG 175 N 0.31 -0.11 -0.64 1.13 2.43 0.98 0.55 114.38 119.02 1x0s h ARG 175 Ca 0.32 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1x0s h ARG 175 Cb 0.45 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1x0s h ARG 175 CO -0.37 -0.08 0.31 -0.91 -1.51 0.00 0.00 179.97 177.41 1x0s h ASN 176 N -0.12 0.84 -0.61 -3.80 2.35 -0.38 -1.23 115.58 112.63 1x0s h ASN 176 Ca 0.07 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1x0s h ASN 176 Cb 0.22 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1x0s h ASN 176 CO -0.17 0.74 0.14 0.58 -1.65 0.00 0.00 177.43 177.07 1x0s h VAL 177 N 0.89 1.25 -0.08 2.81 2.07 -0.64 -2.23 116.25 120.32 1x0s h VAL 177 Ca 0.22 -0.93 -0.24 0.00 0.82 0.00 0.00 66.70 66.57 1x0s h VAL 177 Cb 0.12 0.69 0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1x0s h VAL 177 CO -0.03 0.35 -0.88 0.71 0.02 0.00 0.00 177.57 177.74 1x0s h THR 178 N 0.90 1.28 -0.19 2.57 1.35 -0.73 -2.02 112.91 116.07 1x0s h THR 178 Ca 0.19 -2.09 0.02 0.00 -0.55 0.00 0.00 66.41 63.99 1x0s h THR 178 Cb 0.37 2.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.95 1x0s h THR 178 CO 0.00 0.65 0.06 0.58 -0.25 0.00 0.00 175.52 176.56 1x0s h VAL 179 N 0.44 0.94 -0.06 6.82 2.07 -1.22 0.81 116.25 126.05 1x0s h VAL 179 Ca -0.09 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1x0s h VAL 179 Cb 1.52 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1x0s h VAL 179 CO 0.18 0.03 0.00 0.58 0.02 0.00 0.00 177.57 178.38 1x0s h VAL 180 N 0.14 1.24 0.21 2.57 2.07 -1.47 -3.14 116.25 117.87 1x0s h VAL 180 Ca 0.08 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1x0s h VAL 180 Cb 0.06 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1x0s h VAL 180 CO -0.10 0.20 -0.10 -0.07 0.02 0.00 0.00 177.57 177.53 1x0s h LEU 181 N -0.17 -0.23 -0.98 2.57 3.38 -1.28 -3.22 115.31 115.38 1x0s h LEU 181 Ca 0.02 -0.18 0.18 0.00 0.09 0.00 0.00 57.88 57.99 1x0s h LEU 181 Cb 0.32 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 1x0s h LEU 181 CO 0.00 0.06 0.58 -0.50 0.09 0.00 0.00 178.44 178.67 1x0s h TRP 182 N -0.54 1.01 0.00 1.13 4.06 -0.95 -0.47 115.95 120.19 1x0s h TRP 182 Ca -0.03 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1x0s h TRP 182 Cb 0.40 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1x0s h TRP 182 CO 0.01 0.22 0.00 -1.13 -3.56 0.00 0.00 178.44 173.98 1x0s n SER 183 N -4.79 0.00 0.05 -3.49 3.41 -1.19 -2.35 113.62 105.26 1x0s n SER 183 Ca 0.22 0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 1x0s n SER 183 Cb 0.55 -0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 1x0s n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x0s h ALA 184 N 2.64 0.38 0.01 7.33 0.00 -1.15 -3.35 119.26 125.12 1x0s h ALA 184 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 54.91 53.92 1x0s h ALA 184 Cb 0.20 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1x0s h ALA 184 CO 0.00 1.26 -0.28 1.88 0.00 0.00 0.00 179.25 182.11 1x0s h TYR 185 N 0.02 -0.75 -0.07 0.00 -1.99 -1.54 0.13 116.97 112.76 1x0s h TYR 185 Ca -0.09 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.68 1x0s h TYR 185 Cb 1.86 0.33 -0.00 0.00 2.00 0.00 0.00 36.73 40.92 1x0s h TYR 185 CO 0.01 -0.37 0.05 -1.00 -0.00 0.00 0.00 178.16 176.86 1x0s h PRO 186 N -0.43 0.00 -0.09 4.88 0.13 -1.73 0.26 132.00 135.02 1x0s h PRO 186 Ca 0.06 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.96 1x0s h PRO 186 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 1x0s h PRO 186 CO -0.24 0.00 -0.83 0.28 -0.23 0.00 0.00 178.00 176.98 1x0s h VAL 187 N 0.00 1.29 0.27 1.56 2.07 -1.37 -1.54 116.25 118.52 1x0s h VAL 187 Ca 0.03 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 1x0s h VAL 187 Cb 0.14 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1x0s h VAL 187 CO -0.00 0.64 -0.13 0.58 0.02 0.00 0.00 177.57 178.68 1x0s h VAL 188 N 0.43 0.78 -0.49 2.57 2.07 0.45 -2.15 116.25 119.90 1x0s h VAL 188 Ca -0.08 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.07 1x0s h VAL 188 Cb 1.48 1.04 -0.10 0.00 -1.52 0.00 0.00 31.29 32.19 1x0s h VAL 188 CO 0.17 0.10 -0.16 -0.25 0.02 0.00 0.00 177.57 177.45 1x0s h TRP 189 N -0.61 -0.37 -0.51 1.57 7.01 -0.59 0.23 115.95 122.68 1x0s h TRP 189 Ca -0.04 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.09 1x0s h TRP 189 Cb 0.44 0.24 -0.07 0.00 -2.10 0.00 0.00 29.16 27.67 1x0s h TRP 189 CO 0.01 -0.25 0.13 1.25 -2.79 0.00 0.00 178.44 176.78 1x0s h LEU 190 N -0.05 0.06 -0.48 0.65 5.85 -1.15 -2.61 115.31 117.58 1x0s h LEU 190 Ca 0.24 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1x0s h LEU 190 Cb 0.41 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1x0s h LEU 190 CO -0.53 0.06 -0.26 2.30 -0.34 0.00 0.00 178.44 179.67 1x0s n ILE 191 N -5.08 0.00 -1.38 4.05 -5.35 -0.75 -1.79 119.36 109.07 1x0s n ILE 191 Ca 0.06 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1x0s n ILE 191 Cb 0.24 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 1x0s n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x0s n GLY 192 N 1.34 0.65 0.26 3.28 0.00 0.75 -0.81 105.19 110.65 1x0s n GLY 192 Ca 0.12 -1.87 0.17 0.00 0.00 0.00 0.00 46.02 44.44 1x0s n GLY 192 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x0s h SER 193 N 0.00 0.00 1.12 1.61 4.64 -1.82 -2.47 113.55 116.64 1x0s h SER 193 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1x0s h SER 193 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1x0s h SER 193 CO 0.00 0.00 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.20 1x0s h GLU 194 N 0.00 0.00 0.00 4.77 3.07 -1.91 -3.45 114.58 117.05 1x0s h GLU 194 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1x0s h GLU 194 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1x0s h GLU 194 CO 0.00 0.43 0.00 0.41 -1.40 0.00 0.00 179.01 178.45 1x0s n GLY 195 N 0.66 2.41 3.64 -3.84 0.00 -0.94 -4.87 105.19 102.25 1x0s n GLY 195 Ca 0.01 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1x0s n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0s s ALA 196 N -2.00 3.37 0.00 4.61 0.00 -0.74 -4.85 121.76 122.15 1x0s s ALA 196 Ca 0.00 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 1x0s s ALA 196 Cb 0.00 -3.79 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 1x0s s ALA 196 CO 0.00 -1.76 0.48 0.41 0.00 0.00 0.00 175.76 174.89 1x0s n GLY 197 N 4.38 0.96 0.26 0.00 0.00 -1.20 -3.47 105.19 106.12 1x0s n GLY 197 Ca 0.17 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1x0s n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x0s h ILE 198 N 1.86 1.00 -4.49 -0.61 2.04 -1.57 -3.41 117.51 112.33 1x0s h ILE 198 Ca 0.00 -0.04 -0.70 0.00 1.00 0.00 0.00 64.86 65.12 1x0s h ILE 198 Cb 0.22 1.02 -0.29 0.00 -0.74 0.00 0.00 36.82 37.04 1x0s h ILE 198 CO 0.03 0.01 -0.88 -0.69 0.00 0.00 0.00 178.15 176.62 1x0s s VAL 199 N -5.04 2.15 0.49 1.67 1.01 0.01 -5.03 120.40 115.65 1x0s s VAL 199 Ca -0.05 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 1x0s s VAL 199 Cb 0.17 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.70 1x0s s VAL 199 CO 0.67 0.52 1.08 -2.16 0.00 0.00 0.00 175.10 175.21 1x0s s PRO 200 N -0.79 3.73 0.55 2.72 0.04 -1.26 -4.10 135.00 135.88 1x0s s PRO 200 Ca 0.11 1.48 0.30 0.00 0.04 0.00 0.00 61.00 62.93 1x0s s PRO 200 Cb -0.10 -2.16 1.47 0.00 0.04 0.00 0.00 34.50 33.75 1x0s s PRO 200 CO -0.00 -0.51 1.90 1.25 0.04 0.00 0.00 177.00 179.67 1x0s h LEU 201 N 1.63 0.00 0.41 -3.56 5.85 -1.96 0.74 115.31 118.43 1x0s h LEU 201 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1x0s h LEU 201 Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1x0s h LEU 201 CO 0.59 0.00 -0.35 -1.13 -0.34 0.00 0.00 178.44 177.21 1x0s h ASN 202 N 0.00 -0.93 -0.39 1.25 -0.00 -1.93 -0.59 115.58 113.00 1x0s h ASN 202 Ca 0.35 0.07 -0.08 0.00 -0.00 0.00 0.00 56.30 56.64 1x0s h ASN 202 Cb 1.51 0.30 -0.02 0.00 -0.00 0.00 0.00 38.32 40.10 1x0s h ASN 202 CO -0.00 -0.48 -0.05 0.40 -0.00 0.00 0.00 177.43 177.29 1x0s h ILE 203 N -0.74 1.25 -0.29 2.57 1.08 -1.58 -2.91 117.51 116.89 1x0s h ILE 203 Ca -0.05 -1.10 0.05 0.00 -0.39 0.00 0.00 64.86 63.37 1x0s h ILE 203 Cb 0.62 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 1x0s h ILE 203 CO -0.01 0.38 0.03 -0.08 -0.69 0.00 0.00 178.15 177.78 1x0s h GLU 204 N 0.74 0.12 -0.42 2.37 4.81 -0.80 0.14 114.58 121.54 1x0s h GLU 204 Ca 0.13 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1x0s h GLU 204 Cb 0.53 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1x0s h GLU 204 CO 0.03 0.08 0.19 1.15 -0.73 0.00 0.00 179.01 179.73 1x0s h THR 205 N 0.12 1.15 0.00 0.32 2.02 -1.00 0.12 112.91 115.64 1x0s h THR 205 Ca 0.14 -0.44 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 1x0s h THR 205 Cb 0.17 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1x0s h THR 205 CO -0.21 0.18 -0.53 0.25 0.37 0.00 0.00 175.52 175.58 1x0s h LEU 206 N 0.59 0.00 0.21 2.58 7.12 -1.09 -1.23 115.31 123.49 1x0s h LEU 206 Ca 0.15 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 1x0s h LEU 206 Cb 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1x0s h LEU 206 CO -0.02 0.53 -0.10 -0.07 -0.13 0.00 0.00 178.44 178.65 1x0s h LEU 207 N 0.00 -0.24 -1.28 2.25 3.38 0.12 -2.60 115.31 116.94 1x0s h LEU 207 Ca -0.01 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.81 1x0s h LEU 207 Cb 0.99 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1x0s h LEU 207 CO 0.07 0.29 0.55 -0.26 0.09 0.00 0.00 178.44 179.17 1x0s h PHE 208 N -0.93 0.86 0.01 1.13 0.04 -0.85 -0.94 116.94 116.25 1x0s h PHE 208 Ca -0.03 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1x0s h PHE 208 Cb 0.48 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 1x0s h PHE 208 CO 0.06 0.39 -0.18 1.98 -0.60 0.00 0.00 178.31 179.96 1x0s h MET 209 N 0.79 -0.29 -0.52 1.51 4.05 -1.24 0.46 114.93 119.70 1x0s h MET 209 Ca 0.39 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.80 1x0s h MET 209 Cb 0.46 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 1x0s h MET 209 CO -0.16 -0.19 0.20 0.28 0.23 0.00 0.00 176.91 177.26 1x0s h VAL 210 N -0.30 1.22 0.01 -5.77 2.07 -0.90 -1.46 116.25 111.12 1x0s h VAL 210 Ca 0.05 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1x0s h VAL 210 Cb 0.37 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1x0s h VAL 210 CO -0.17 0.26 -0.00 -0.07 0.02 0.00 0.00 177.57 177.61 1x0s h LEU 211 N 0.70 -0.01 0.64 2.57 4.07 -0.93 -1.68 115.31 120.67 1x0s h LEU 211 Ca 0.17 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1x0s h LEU 211 Cb 0.22 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 1x0s h LEU 211 CO -0.01 0.11 -0.38 0.44 -1.08 0.00 0.00 178.44 177.52 1x0s h ASP 212 N -0.13 -0.94 -0.99 -0.43 3.32 0.04 0.24 116.42 117.53 1x0s h ASP 212 Ca -0.00 0.05 0.20 0.00 0.02 0.00 0.00 57.03 57.30 1x0s h ASP 212 Cb 0.13 0.27 -0.10 0.00 0.22 0.00 0.00 39.33 39.85 1x0s h ASP 212 CO 0.00 -0.59 0.62 0.58 -1.72 0.00 0.00 179.24 178.13 1x0s h VAL 213 N -0.95 0.67 0.30 -1.35 2.07 -1.32 0.14 116.25 115.82 1x0s h VAL 213 Ca -0.09 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1x0s h VAL 213 Cb 0.75 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1x0s h VAL 213 CO 0.10 0.12 -0.15 0.28 0.02 0.00 0.00 177.57 177.94 1x0s h SER 214 N 0.63 -0.34 0.08 0.57 0.02 -1.13 0.18 113.55 113.56 1x0s h SER 214 Ca 0.56 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1x0s h SER 214 Cb 1.05 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1x0s h SER 214 CO -0.33 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.43 1x0s h ALA 215 N -0.34 1.00 0.00 3.77 0.00 0.41 -1.47 119.26 122.63 1x0s h ALA 215 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x0s h ALA 215 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x0s h ALA 215 CO 0.07 0.00 -0.06 1.63 0.00 0.00 0.00 179.25 180.89 1x0s n LYS 216 N -2.81 0.03 -0.06 0.00 5.02 0.40 -4.39 118.16 116.35 1x0s n LYS 216 Ca -0.02 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1x0s n LYS 216 Cb 0.08 -0.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.79 1x0s n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x0s h VAL 217 N -0.06 1.03 0.19 -0.18 2.07 -0.82 0.73 116.25 119.22 1x0s h VAL 217 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1x0s h VAL 217 Cb 0.06 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1x0s h VAL 217 CO 0.00 0.05 -0.10 1.23 0.02 0.00 0.00 177.57 178.77 1x0s h GLY 218 N 0.30 -0.28 0.39 2.17 0.00 -0.37 0.40 103.07 105.67 1x0s h GLY 218 Ca 0.10 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1x0s h GLY 218 CO -0.05 -0.11 -0.17 -2.75 0.00 0.00 0.00 176.54 173.46 1x0s h PHE 219 N -0.28 -0.45 -0.42 5.60 3.04 -1.13 0.23 116.94 123.52 1x0s h PHE 219 Ca -0.02 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.03 1x0s h PHE 219 Cb 0.22 0.22 -0.07 0.00 2.56 0.00 0.00 35.95 38.88 1x0s h PHE 219 CO -0.07 -0.25 -0.01 0.78 -2.02 0.00 0.00 178.31 176.74 1x0s h GLY 220 N -0.21 0.41 0.62 2.40 0.00 0.93 -0.14 103.07 107.08 1x0s h GLY 220 Ca 0.10 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.51 1x0s h GLY 220 CO -0.27 -0.11 -0.24 1.41 0.00 0.00 0.00 176.54 177.32 1x0s h LEU 221 N 0.10 -0.67 -0.13 3.11 3.38 0.80 0.76 115.31 122.66 1x0s h LEU 221 Ca 0.21 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1x0s h LEU 221 Cb 0.30 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1x0s h LEU 221 CO -0.36 -0.33 -0.20 0.40 0.09 0.00 0.00 178.44 178.04 1x0s h ILE 222 N -0.46 0.49 0.53 1.22 2.04 -0.17 -2.24 117.51 118.92 1x0s h ILE 222 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1x0s h ILE 222 Cb 0.47 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1x0s h ILE 222 CO -0.11 0.00 -0.26 0.25 0.00 0.00 0.00 178.15 178.03 1x0s h LEU 223 N -0.25 -0.61 0.00 1.44 5.85 -0.79 -3.24 115.31 117.71 1x0s h LEU 223 Ca 0.10 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1x0s h LEU 223 Cb 0.40 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1x0s h LEU 223 CO -0.28 -0.28 0.00 0.18 -0.34 0.00 0.00 178.44 177.71 1x0s n LEU 224 N -5.32 0.00 -0.68 2.25 4.77 0.26 -2.34 117.00 115.94 1x0s n LEU 224 Ca -0.11 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1x0s n LEU 224 Cb 0.32 -0.26 0.22 0.00 -2.33 0.00 0.00 43.42 41.37 1x0s n LEU 224 CO 0.32 -0.17 0.67 0.54 -1.33 0.00 0.00 177.39 177.42 1x0s n ARG 225 N -1.26 2.61 -4.31 3.23 1.74 -0.85 -4.98 116.66 112.84 1x0s n ARG 225 Ca 0.05 -2.67 -0.24 0.00 -0.77 0.00 0.00 57.85 54.22 1x0s n ARG 225 Cb 0.08 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 29.74 1x0s n ARG 225 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x0s s SER 226 N -1.99 4.25 0.00 0.55 1.04 -0.99 -5.00 113.70 111.55 1x0s s SER 226 Ca 0.37 -0.95 0.18 0.00 0.48 0.00 0.00 55.95 56.03 1x0s s SER 226 Cb 0.30 -0.57 0.69 0.00 0.10 0.00 0.00 66.02 66.54 1x0s s SER 226 CO 0.08 -0.23 1.50 0.54 0.98 0.00 0.00 173.24 176.11 1x0s n ARG 227 N -0.97 1.66 0.11 4.02 5.12 -1.26 -4.05 116.66 121.29 1x0s n ARG 227 Ca -0.04 -1.01 0.02 0.00 -1.93 0.00 0.00 57.85 54.90 1x0s n ARG 227 Cb 0.62 -1.36 0.38 0.00 -1.16 0.00 0.00 32.46 30.95 1x0s n ARG 227 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x0s h ALA 228 N 3.92 1.50 0.00 7.54 0.00 -1.87 -2.76 119.26 127.59 1x0s h ALA 228 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1x0s h ALA 228 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x0s h ALA 228 CO 0.00 0.36 0.00 0.44 0.00 0.00 0.00 179.25 180.05 1x0s n ILE 229 N -4.28 0.25 -3.78 0.00 -5.35 -1.26 -4.80 119.36 100.15 1x0s n ILE 229 Ca -0.01 0.06 -0.26 0.00 -0.27 0.00 0.00 62.75 62.28 1x0s n ILE 229 Cb 0.26 -0.75 -0.03 0.00 -1.74 0.00 0.00 39.64 37.38 1x0s n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1x0s s PHE 230 N -2.33 3.48 -2.00 4.28 0.08 -1.04 -2.30 117.98 118.15 1x0s s PHE 230 Ca 0.23 0.23 0.25 0.00 0.12 0.00 0.00 56.93 57.76 1x0s s PHE 230 Cb 0.13 -1.77 1.48 0.00 -0.57 0.00 0.00 43.02 42.29 1x0s s PHE 230 CO 0.26 0.41 1.84 0.41 -0.10 0.00 0.00 175.22 178.04