#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s51 n GLY 6 N 0.00 -0.52 3.74 1.09 0.00 -1.26 -5.00 105.19 103.24 1s51 n GLY 6 Ca 0.00 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1s51 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s51 n ARG 7 N -3.89 2.11 -0.10 1.61 1.74 -1.26 -4.92 116.66 111.95 1s51 n ARG 7 Ca -0.13 0.75 0.22 0.00 -0.77 0.00 0.00 57.85 57.93 1s51 n ARG 7 Cb 0.63 -2.56 0.67 0.00 -1.02 0.00 0.00 32.46 30.17 1s51 n ARG 7 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1s51 h PRO 8 N 2.16 0.08 -0.00 5.56 0.11 -2.00 -2.11 132.00 135.80 1s51 h PRO 8 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1s51 h PRO 8 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1s51 h PRO 8 CO 0.60 0.05 -0.06 -0.85 -0.21 0.00 0.00 178.00 177.54 1s51 n GLU 9 N -4.36 0.35 -0.13 1.05 0.00 -1.26 -4.25 120.64 112.03 1s51 n GLU 9 Ca 0.14 -0.05 0.08 0.00 0.00 0.00 0.00 57.16 57.33 1s51 n GLU 9 Cb 0.73 -1.50 0.41 0.00 0.00 0.00 0.00 31.44 31.08 1s51 n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1s51 h TRP 10 N 0.13 0.63 -0.25 -1.84 5.08 -1.74 -1.59 115.95 116.36 1s51 h TRP 10 Ca 0.00 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 59.94 1s51 h TRP 10 Cb 0.37 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.31 1s51 h TRP 10 CO 0.00 0.32 -0.06 0.97 -1.28 0.00 0.00 178.44 178.39 1s51 h ILE 11 N 0.61 1.19 0.00 0.12 6.09 -1.82 0.17 117.51 123.87 1s51 h ILE 11 Ca 0.29 -0.78 -0.12 0.00 -1.37 0.00 0.00 64.86 62.88 1s51 h ILE 11 Cb 0.33 1.07 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 1s51 h ILE 11 CO -0.09 0.25 -0.57 -0.50 -3.07 0.00 0.00 178.15 174.18 1s51 h TRP 12 N 0.37 0.00 -0.10 2.19 -0.00 -1.59 -2.14 115.95 114.68 1s51 h TRP 12 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 58.89 58.77 1s51 h TRP 12 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.51 1s51 h TRP 12 CO 0.01 0.57 -0.74 -0.07 -0.00 0.00 0.00 178.44 178.20 1s51 h LEU 13 N 0.00 0.60 -0.78 -4.49 4.07 -0.81 -1.47 115.31 112.43 1s51 h LEU 13 Ca -0.01 -0.40 -0.13 0.00 0.08 0.00 0.00 57.88 57.43 1s51 h LEU 13 Cb 1.11 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 1s51 h LEU 13 CO 0.07 1.15 -0.48 0.00 -1.08 0.00 0.00 178.44 178.10 1s51 h ALA 14 N 0.84 0.96 0.00 1.53 0.00 -0.58 -2.03 119.26 119.98 1s51 h ALA 14 Ca -0.04 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.21 1s51 h ALA 14 Cb 1.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1s51 h ALA 14 CO 0.13 0.65 -0.88 1.25 0.00 0.00 0.00 179.25 180.40 1s51 h LEU 15 N 0.24 0.31 -0.25 0.00 6.46 -1.32 -1.78 115.31 118.97 1s51 h LEU 15 Ca 0.01 -0.25 -0.17 0.00 -0.12 0.00 0.00 57.88 57.35 1s51 h LEU 15 Cb 0.94 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1s51 h LEU 15 CO 0.08 1.05 -0.52 1.23 -0.62 0.00 0.00 178.44 179.66 1s51 h GLY 16 N 1.71 0.86 0.98 3.75 0.00 -1.14 -1.92 103.07 107.31 1s51 h GLY 16 Ca -0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.24 1s51 h GLY 16 CO 0.14 0.92 -0.09 -0.84 0.00 0.00 0.00 176.54 176.67 1s51 h THR 17 N 0.53 0.83 -0.78 4.70 2.02 -1.40 -1.22 112.91 117.59 1s51 h THR 17 Ca 0.00 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1s51 h THR 17 Cb 1.13 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 1s51 h THR 17 CO 0.11 0.01 0.49 0.00 0.37 0.00 0.00 175.52 176.50 1s51 h ALA 18 N 0.56 1.03 -0.07 6.16 0.00 -1.33 -1.19 119.26 124.42 1s51 h ALA 18 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1s51 h ALA 18 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1s51 h ALA 18 CO 0.04 0.28 -0.72 -0.07 0.00 0.00 0.00 179.25 178.78 1s51 h LEU 19 N 0.94 0.42 -0.28 0.00 3.38 -1.19 -2.21 115.31 116.38 1s51 h LEU 19 Ca 0.32 -0.28 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1s51 h LEU 19 Cb 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1s51 h LEU 19 CO -0.12 1.01 -0.55 0.24 0.09 0.00 0.00 178.44 179.11 1s51 h MET 20 N 0.24 0.87 0.34 1.13 2.86 -1.11 -1.16 114.93 118.10 1s51 h MET 20 Ca -0.03 -0.56 -0.02 0.00 -2.06 0.00 0.00 59.70 57.04 1s51 h MET 20 Cb 1.29 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1s51 h MET 20 CO 0.12 1.19 -0.16 0.78 1.06 0.00 0.00 176.91 179.90 1s51 h GLY 21 N 0.65 -0.48 0.59 8.32 0.00 -1.22 -0.42 103.07 110.51 1s51 h GLY 21 Ca 0.01 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.56 1s51 h GLY 21 CO 0.12 -0.17 0.02 1.41 0.00 0.00 0.00 176.54 177.92 1s51 h LEU 22 N -0.75 -0.06 -0.75 3.11 3.38 -1.46 -1.70 115.31 117.09 1s51 h LEU 22 Ca -0.05 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1s51 h LEU 22 Cb 0.50 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1s51 h LEU 22 CO 0.08 0.00 0.49 1.23 0.09 0.00 0.00 178.44 180.33 1s51 h GLY 23 N 0.12 1.06 0.99 0.83 0.00 -1.20 -2.18 103.07 102.69 1s51 h GLY 23 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1s51 h GLY 23 CO -0.21 0.36 0.17 0.23 0.00 0.00 0.00 176.54 177.09 1s51 h SER 24 N 0.99 0.30 -0.12 0.19 0.87 -0.69 -1.89 113.55 113.18 1s51 h SER 24 Ca 0.28 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1s51 h SER 24 Cb -0.08 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1s51 h SER 24 CO -0.07 0.21 0.03 -0.07 -0.53 0.00 0.00 176.83 176.40 1s51 h LEU 25 N 0.35 0.01 -1.10 2.23 3.38 -1.10 0.18 115.31 119.27 1s51 h LEU 25 Ca 0.10 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1s51 h LEU 25 Cb -0.04 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1s51 h LEU 25 CO -0.03 0.03 0.22 0.22 0.09 0.00 0.00 178.44 178.97 1s51 h TYR 26 N 0.08 0.86 -0.35 1.13 3.20 -1.34 0.39 116.97 120.94 1s51 h TYR 26 Ca 0.05 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1s51 h TYR 26 Cb 0.04 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1s51 h TYR 26 CO -0.12 0.67 -0.23 0.74 -1.64 0.00 0.00 178.16 177.59 1s51 h PHE 27 N 0.84 0.90 0.25 -3.82 0.04 -0.67 -1.19 116.94 113.29 1s51 h PHE 27 Ca 0.20 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1s51 h PHE 27 Cb 0.19 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1s51 h PHE 27 CO 0.01 0.99 -0.12 1.25 -0.60 0.00 0.00 178.31 179.84 1s51 h LEU 28 N 0.55 -0.28 -0.34 1.54 7.12 -0.25 0.51 115.31 124.16 1s51 h LEU 28 Ca 0.07 -0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.08 1s51 h LEU 28 Cb 0.78 0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 40.91 1s51 h LEU 28 CO 0.06 -0.11 -0.14 0.58 -0.13 0.00 0.00 178.44 178.70 1s51 h VAL 29 N -0.44 0.54 -0.41 1.05 2.07 -0.23 -0.91 116.25 117.92 1s51 h VAL 29 Ca -0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1s51 h VAL 29 Cb 0.33 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1s51 h VAL 29 CO 0.06 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.09 1s51 h LYS 30 N -0.08 0.69 -0.20 1.57 3.64 -1.08 -3.09 116.57 118.01 1s51 h LYS 30 Ca 0.17 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1s51 h LYS 30 Cb 0.34 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1s51 h LYS 30 CO -0.39 0.75 -0.40 0.78 -2.27 0.00 0.00 179.45 177.92 1s51 h GLY 31 N 0.95 0.50 0.33 5.01 0.00 0.81 -3.14 103.07 107.53 1s51 h GLY 31 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1s51 h GLY 31 CO 0.02 0.44 0.00 1.03 0.00 0.00 0.00 176.54 178.03 1s51 n MET 32 N -4.03 1.20 -0.08 4.80 2.81 -0.42 -3.23 117.12 118.17 1s51 n MET 32 Ca -0.01 -0.30 -0.07 0.00 -1.81 0.00 0.00 57.70 55.50 1s51 n MET 32 Cb 0.50 -1.39 -0.14 0.00 -0.71 0.00 0.00 33.22 31.48 1s51 n MET 32 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s51 n GLY 33 N 0.95 -0.90 3.76 3.03 0.00 -1.19 -4.97 105.19 105.87 1s51 n GLY 33 Ca 0.18 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1s51 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s51 s VAL 34 N -2.52 2.84 -0.02 1.61 1.01 -1.20 -4.97 120.40 117.16 1s51 s VAL 34 Ca -0.09 0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.55 1s51 s VAL 34 Cb 0.06 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 1s51 s VAL 34 CO 0.75 -0.04 0.10 -1.54 0.00 0.00 0.00 175.10 174.38 1s51 n SER 35 N -0.84 3.57 -4.70 3.32 3.41 -1.26 -4.95 113.62 112.18 1s51 n SER 35 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 1s51 n SER 35 Cb 0.48 1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 65.48 1s51 n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s51 n ASP 36 N -1.88 4.06 0.13 4.04 2.03 -1.26 -4.90 116.55 118.78 1s51 n ASP 36 Ca -0.04 1.01 -0.13 0.00 0.52 0.00 0.00 54.79 56.15 1s51 n ASP 36 Cb 0.33 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 39.11 1s51 n ASP 36 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1s51 h PRO 37 N 8.01 -0.42 -0.80 -0.67 0.11 -1.97 -0.69 132.00 135.56 1s51 h PRO 37 Ca -0.45 0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.72 1s51 h PRO 37 Cb 1.21 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.37 1s51 h PRO 37 CO 0.95 -0.28 0.51 -0.44 -0.21 0.00 0.00 178.00 178.53 1s51 h ASP 38 N -0.44 0.83 -0.51 -2.05 3.32 -1.90 0.08 116.42 115.74 1s51 h ASP 38 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1s51 h ASP 38 Cb 0.44 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1s51 h ASP 38 CO -0.09 0.56 0.32 0.00 -1.72 0.00 0.00 179.24 178.31 1s51 h ALA 39 N 1.35 1.58 -0.21 3.45 0.00 -1.24 -1.86 119.26 122.33 1s51 h ALA 39 Ca 0.33 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1s51 h ALA 39 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s51 h ALA 39 CO -0.13 0.37 0.12 0.87 0.00 0.00 0.00 179.25 180.49 1s51 h LYS 40 N 0.72 0.24 -0.38 0.00 1.79 0.54 -0.29 116.57 119.19 1s51 h LYS 40 Ca 0.19 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.69 1s51 h LYS 40 Cb -0.04 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.48 1s51 h LYS 40 CO -0.04 0.16 -0.51 -0.22 -1.08 0.00 0.00 179.45 177.76 1s51 h LYS 41 N 0.25 -0.35 -0.72 3.15 3.64 -0.42 -1.33 116.57 120.79 1s51 h LYS 41 Ca 0.08 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1s51 h LYS 41 Cb -0.00 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1s51 h LYS 41 CO -0.04 -0.23 0.44 0.74 -2.27 0.00 0.00 179.45 178.09 1s51 h PHE 42 N -0.36 0.93 -0.80 1.91 0.04 -1.33 -2.70 116.94 114.64 1s51 h PHE 42 Ca 0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1s51 h PHE 42 Cb 0.54 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 1s51 h PHE 42 CO -0.72 0.62 0.48 1.88 -0.60 0.00 0.00 178.31 179.97 1s51 h TYR 43 N 0.98 1.05 -0.41 -0.55 0.05 -0.50 -1.54 116.97 116.05 1s51 h TYR 43 Ca 0.26 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.90 1s51 h TYR 43 Cb -0.05 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.33 1s51 h TYR 43 CO -0.01 0.70 -0.29 0.00 -1.05 0.00 0.00 178.16 177.51 1s51 h ALA 44 N 1.26 0.73 -0.06 3.88 0.00 -1.11 -1.13 119.26 122.82 1s51 h ALA 44 Ca 0.29 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1s51 h ALA 44 Cb -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1s51 h ALA 44 CO -0.05 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.67 1s51 h ILE 45 N 0.74 1.28 0.00 0.00 2.04 -1.31 -2.66 117.51 117.61 1s51 h ILE 45 Ca 0.08 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1s51 h ILE 45 Cb 0.84 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1s51 h ILE 45 CO 0.07 0.24 -0.15 0.74 0.00 0.00 0.00 178.15 179.05 1s51 h THR 46 N -0.21 0.50 0.13 -0.27 2.02 -1.22 -2.38 112.91 111.48 1s51 h THR 46 Ca 0.02 -0.76 -0.22 0.00 0.77 0.00 0.00 66.41 66.21 1s51 h THR 46 Cb 0.38 1.52 0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1s51 h THR 46 CO 0.00 0.15 -1.08 0.74 0.37 0.00 0.00 175.52 175.70 1s51 h THR 47 N 0.00 1.29 -0.86 3.16 2.02 -1.25 -3.36 112.91 113.92 1s51 h THR 47 Ca -0.00 -2.47 0.12 0.00 0.77 0.00 0.00 66.41 64.83 1s51 h THR 47 Cb 0.51 2.97 -0.08 0.00 -1.74 0.00 0.00 68.15 69.80 1s51 h THR 47 CO 0.02 0.70 0.48 0.25 0.37 0.00 0.00 175.52 177.34 1s51 h LEU 48 N -0.37 0.65 0.12 2.58 5.85 -1.24 -2.64 115.31 120.26 1s51 h LEU 48 Ca -0.22 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1s51 h LEU 48 Cb 1.68 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.61 1s51 h LEU 48 CO 0.10 0.32 -0.47 0.58 -0.34 0.00 0.00 178.44 178.63 1s51 h VAL 49 N 0.74 0.08 0.00 1.05 2.07 -1.57 -0.65 116.25 117.96 1s51 h VAL 49 Ca 0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.96 1s51 h VAL 49 Cb 0.52 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1s51 h VAL 49 CO -0.30 0.00 0.00 1.55 0.02 0.00 0.00 177.57 178.84 1s51 h PRO 50 N -0.71 0.00 -0.20 1.57 0.13 -1.69 -2.74 132.00 128.36 1s51 h PRO 50 Ca 0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.04 1s51 h PRO 50 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1s51 h PRO 50 CO -0.27 0.00 -0.27 0.00 -0.23 0.00 0.00 178.00 177.24 1s51 h ALA 51 N 2.27 0.30 -0.27 -0.56 0.00 -1.08 -0.34 119.26 119.57 1s51 h ALA 51 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1s51 h ALA 51 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1s51 h ALA 51 CO 0.00 0.29 0.12 0.82 0.00 0.00 0.00 179.25 180.47 1s51 h ILE 52 N 0.19 1.16 -0.83 0.00 2.04 -1.06 -2.34 117.51 116.67 1s51 h ILE 52 Ca 0.02 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1s51 h ILE 52 Cb 0.84 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1s51 h ILE 52 CO 0.06 0.16 0.54 0.00 0.00 0.00 0.00 178.15 178.91 1s51 h ALA 53 N 0.97 1.07 0.01 1.87 0.00 -1.43 -2.47 119.26 119.27 1s51 h ALA 53 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1s51 h ALA 53 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s51 h ALA 53 CO -0.01 0.41 -0.05 0.35 0.00 0.00 0.00 179.25 179.95 1s51 h PHE 54 N 1.08 -0.13 -0.39 0.00 3.57 -0.93 0.68 116.94 120.82 1s51 h PHE 54 Ca 0.32 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1s51 h PHE 54 Cb -0.06 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1s51 h PHE 54 CO -0.02 -0.09 0.26 1.79 -2.23 0.00 0.00 178.31 178.02 1s51 h THR 55 N -0.10 1.09 0.14 4.41 1.35 -1.13 0.24 112.91 118.90 1s51 h THR 55 Ca 0.02 -0.18 -0.30 0.00 -0.55 0.00 0.00 66.41 65.40 1s51 h THR 55 Cb 0.12 0.53 0.03 0.00 -1.73 0.00 0.00 68.15 67.10 1s51 h THR 55 CO -0.05 0.09 -1.28 0.24 -0.25 0.00 0.00 175.52 174.27 1s51 h MET 56 N 0.51 0.57 -0.75 4.72 2.86 -1.00 -1.63 114.93 120.21 1s51 h MET 56 Ca 0.15 -0.80 -0.02 0.00 -2.06 0.00 0.00 59.70 56.96 1s51 h MET 56 Cb -0.03 0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1s51 h MET 56 CO -0.03 1.37 0.37 1.88 1.06 0.00 0.00 176.91 181.55 1s51 h TYR 57 N 0.23 1.07 0.17 -0.22 0.05 -0.56 -0.90 116.97 116.80 1s51 h TYR 57 Ca -0.19 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1s51 h TYR 57 Cb 1.96 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 39.36 1s51 h TYR 57 CO 0.11 0.78 -0.16 1.25 -1.05 0.00 0.00 178.16 179.09 1s51 h LEU 58 N 1.05 -0.41 -0.71 3.88 6.46 -0.96 1.07 115.31 125.69 1s51 h LEU 58 Ca 0.26 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.11 1s51 h LEU 58 Cb 0.10 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1s51 h LEU 58 CO -0.03 -0.24 0.42 0.28 -0.62 0.00 0.00 178.44 178.24 1s51 h SER 59 N -0.35 0.64 -0.46 1.25 0.02 -1.01 -0.43 113.55 113.22 1s51 h SER 59 Ca -0.00 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1s51 h SER 59 Cb 0.33 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1s51 h SER 59 CO -0.03 0.42 -0.18 0.24 -1.14 0.00 0.00 176.83 176.14 1s51 h MET 60 N 0.78 0.93 -0.96 3.45 2.86 -0.79 0.16 114.93 121.37 1s51 h MET 60 Ca 0.31 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1s51 h MET 60 Cb 0.14 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 1s51 h MET 60 CO -0.16 1.05 0.63 1.25 1.06 0.00 0.00 176.91 180.74 1s51 h LEU 61 N 0.78 1.03 -0.66 1.22 5.85 0.19 -2.08 115.31 121.63 1s51 h LEU 61 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1s51 h LEU 61 Cb 0.75 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1s51 h LEU 61 CO 0.06 0.70 0.00 0.18 -0.34 0.00 0.00 178.44 179.04 1s51 n LEU 62 N -4.45 0.92 0.00 2.25 4.77 -0.23 -4.88 117.00 115.38 1s51 n LEU 62 Ca 0.13 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1s51 n LEU 62 Cb 0.11 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1s51 n LEU 62 CO 0.34 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1s51 n GLY 63 N 0.62 0.72 3.99 -0.72 0.00 -0.78 -5.04 105.19 103.98 1s51 n GLY 63 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1s51 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s51 s TYR 64 N -2.28 2.90 -0.16 1.61 1.51 0.48 -4.61 117.35 116.81 1s51 s TYR 64 Ca 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1s51 s TYR 64 Cb 0.00 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1s51 s TYR 64 CO 0.00 -0.26 0.00 0.41 -1.11 0.00 0.00 175.55 174.59 1s51 n GLY 65 N -1.76 0.51 3.22 0.71 0.00 -1.26 -3.70 105.19 102.92 1s51 n GLY 65 Ca 0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1s51 n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s51 s LEU 66 N -0.34 2.01 0.01 0.99 2.96 -1.26 -0.32 118.68 122.73 1s51 s LEU 66 Ca 0.00 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1s51 s LEU 66 Cb 0.00 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 1s51 s LEU 66 CO 0.00 0.22 0.02 0.28 -1.32 0.00 0.00 176.35 175.55 1s51 s THR 67 N -0.12 0.08 -0.29 3.68 -1.32 -0.36 -4.94 115.64 112.36 1s51 s THR 67 Ca -0.03 -0.66 -0.19 0.00 -1.21 0.00 0.00 61.69 59.60 1s51 s THR 67 Cb -0.13 -0.26 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1s51 s THR 67 CO 0.03 -0.37 0.57 -0.04 -2.21 0.00 0.00 174.62 172.60 1s51 s MET 68 N -1.12 3.92 -0.12 7.08 -1.94 -1.25 0.70 119.30 126.56 1s51 s MET 68 Ca -0.12 0.24 -0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1s51 s MET 68 Cb -0.07 -3.71 -0.02 0.00 2.01 0.00 0.00 34.83 33.04 1s51 s MET 68 CO -0.00 -0.49 -0.11 0.08 -0.01 0.00 0.00 175.02 174.49 1s51 s VAL 69 N 2.46 3.27 -0.06 -6.03 1.01 0.45 -4.79 120.40 116.70 1s51 s VAL 69 Ca 0.23 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 1s51 s VAL 69 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1s51 s VAL 69 CO 0.11 0.53 0.83 -2.16 0.00 0.00 0.00 175.10 174.41 1s51 s PRO 70 N 0.15 4.46 -0.24 2.72 0.04 -1.26 0.84 135.00 141.71 1s51 s PRO 70 Ca -0.06 1.10 -0.34 0.00 0.04 0.00 0.00 61.00 61.75 1s51 s PRO 70 Cb -0.15 -3.48 0.16 0.00 0.04 0.00 0.00 34.50 31.08 1s51 s PRO 70 CO 0.04 -0.05 1.29 -0.59 0.04 0.00 0.00 177.00 177.73 1s51 s PHE 71 N 1.13 -0.09 -1.89 0.56 -0.12 -0.51 -4.43 117.98 112.63 1s51 s PHE 71 Ca 0.43 0.09 0.00 0.00 -0.05 0.00 0.00 56.93 57.40 1s51 s PHE 71 Cb -0.19 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 1s51 s PHE 71 CO 0.20 -0.11 0.00 0.41 -0.05 0.00 0.00 175.22 175.67 1s51 n GLY 72 N 0.16 0.52 2.17 1.99 0.00 -1.26 -0.90 105.19 107.87 1s51 n GLY 72 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1s51 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s51 n GLY 73 N -0.73 0.46 3.34 -0.02 0.00 -1.26 -5.01 105.19 101.97 1s51 n GLY 73 Ca -0.22 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1s51 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s51 s GLU 74 N -0.75 1.35 -0.68 1.61 0.41 -0.08 -5.09 118.70 115.48 1s51 s GLU 74 Ca 0.00 -1.67 -0.15 0.00 -0.41 0.00 0.00 54.97 52.73 1s51 s GLU 74 Cb 0.00 -0.75 0.16 0.00 -1.78 0.00 0.00 34.13 31.76 1s51 s GLU 74 CO 0.00 -0.04 0.65 -1.14 -0.49 0.00 0.00 175.26 174.24 1s51 s GLN 75 N -3.81 3.27 -0.10 1.61 2.00 -1.26 -1.43 119.66 119.93 1s51 s GLN 75 Ca 0.27 -1.99 -0.19 0.00 -2.00 0.00 0.00 55.36 51.45 1s51 s GLN 75 Cb 0.05 -4.37 -0.04 0.00 0.80 0.00 0.00 33.01 29.44 1s51 s GLN 75 CO 0.08 -1.35 0.52 -0.80 -0.50 0.00 0.00 175.29 173.24 1s51 s ASN 76 N 3.01 6.74 -0.56 6.67 -0.87 0.25 -4.77 114.94 125.41 1s51 s ASN 76 Ca 0.11 0.89 -0.28 0.00 -1.57 0.00 0.00 52.86 52.01 1s51 s ASN 76 Cb -0.20 -2.31 0.01 0.00 -0.02 0.00 0.00 41.25 38.73 1s51 s ASN 76 CO -0.02 -0.01 1.45 -2.16 -2.57 0.00 0.00 177.10 173.79 1s51 s PRO 77 N 0.59 3.26 -0.25 -0.60 0.04 -1.26 0.17 135.00 136.95 1s51 s PRO 77 Ca 0.28 0.46 -0.04 0.00 0.04 0.00 0.00 61.00 61.75 1s51 s PRO 77 Cb -0.16 -4.14 0.01 0.00 0.04 0.00 0.00 34.50 30.25 1s51 s PRO 77 CO 0.12 -1.99 -0.01 0.42 0.04 0.00 0.00 177.00 175.58 1s51 s ILE 78 N 6.24 3.35 -0.90 0.56 -1.09 0.22 -4.85 121.20 124.73 1s51 s ILE 78 Ca 0.53 -0.77 -0.24 0.00 -2.23 0.00 0.00 60.65 57.95 1s51 s ILE 78 Cb -0.11 -2.66 0.05 0.00 -1.58 0.00 0.00 42.46 38.16 1s51 s ILE 78 CO 0.25 0.23 1.34 -0.31 -1.23 0.00 0.00 174.94 175.21 1s51 s TYR 79 N 1.42 2.50 -0.47 3.97 2.02 -1.26 -1.23 117.35 124.31 1s51 s TYR 79 Ca 0.03 -0.60 0.26 0.00 -0.37 0.00 0.00 57.07 56.38 1s51 s TYR 79 Cb -0.16 -4.62 0.69 0.00 -0.40 0.00 0.00 41.96 37.47 1s51 s TYR 79 CO -0.02 -1.93 1.73 0.11 -1.57 0.00 0.00 175.55 173.86 1s51 h TRP 80 N 9.78 0.00 -0.29 2.71 5.08 -1.03 -3.09 115.95 129.11 1s51 h TRP 80 Ca 0.01 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.06 1s51 h TRP 80 Cb 1.03 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.18 1s51 h TRP 80 CO 1.20 0.00 0.22 0.00 -1.28 0.00 0.00 178.44 178.58 1s51 h ALA 81 N 2.20 2.20 -0.74 0.11 0.00 -1.63 -1.85 119.26 119.55 1s51 h ALA 81 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1s51 h ALA 81 Cb 0.79 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1s51 h ALA 81 CO 0.00 -0.37 0.36 0.00 0.00 0.00 0.00 179.25 179.24 1s51 h ARG 82 N 0.00 0.58 0.00 0.00 3.08 -1.81 -1.35 114.38 114.87 1s51 h ARG 82 Ca 0.14 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1s51 h ARG 82 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1s51 h ARG 82 CO -0.00 0.38 -0.18 1.88 -1.07 0.00 0.00 179.97 180.98 1s51 h TYR 83 N 0.59 0.00 0.00 3.04 0.05 -1.56 -1.93 116.97 117.16 1s51 h TYR 83 Ca 0.37 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.05 1s51 h TYR 83 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1s51 h TYR 83 CO -0.11 0.18 -0.47 0.00 -1.05 0.00 0.00 178.16 176.71 1s51 h ALA 84 N 1.82 1.19 0.05 3.88 0.00 -1.28 0.23 119.26 125.16 1s51 h ALA 84 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1s51 h ALA 84 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1s51 h ALA 84 CO 0.02 0.58 -0.02 0.22 0.00 0.00 0.00 179.25 180.05 1s51 h ASP 85 N 0.00 -0.06 -0.62 0.00 1.82 -1.18 -3.35 116.42 113.03 1s51 h ASP 85 Ca -0.00 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.82 1s51 h ASP 85 Cb 0.84 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 1s51 h ASP 85 CO 0.06 0.07 0.46 -0.50 -1.61 0.00 0.00 179.24 177.72 1s51 h TRP 86 N -0.30 0.00 -0.84 0.28 6.55 -1.38 -0.43 115.95 119.84 1s51 h TRP 86 Ca -0.01 0.00 0.12 0.00 0.95 0.00 0.00 58.89 59.96 1s51 h TRP 86 Cb 0.05 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.29 1s51 h TRP 86 CO 0.03 0.00 0.54 1.25 -1.05 0.00 0.00 178.44 179.21 1s51 h LEU 87 N 0.00 0.63 0.00 -4.49 5.85 -0.67 -1.91 115.31 114.72 1s51 h LEU 87 Ca 0.29 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.90 1s51 h LEU 87 Cb 1.20 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1s51 h LEU 87 CO -0.00 0.35 -1.88 0.49 -0.34 0.00 0.00 178.44 177.06 1s51 n PHE 88 N -4.53 0.00 0.09 1.25 3.72 -0.36 -4.40 117.46 113.23 1s51 n PHE 88 Ca 0.15 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.37 1s51 n PHE 88 Cb 0.41 -0.56 -0.14 0.00 -0.94 0.00 0.00 39.48 38.25 1s51 n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1s51 h THR 89 N 0.00 1.25 -0.58 4.37 1.35 -1.12 -3.14 112.91 115.05 1s51 h THR 89 Ca -0.22 -2.84 -0.08 0.00 -0.55 0.00 0.00 66.41 62.72 1s51 h THR 89 Cb 1.37 2.85 -0.02 0.00 -1.73 0.00 0.00 68.15 70.62 1s51 h THR 89 CO 0.01 0.84 0.03 0.71 -0.25 0.00 0.00 175.52 176.87 1s51 h THR 90 N 0.08 1.26 0.00 6.82 1.35 -1.58 -2.55 112.91 118.30 1s51 h THR 90 Ca -0.22 -1.09 -0.08 0.00 -0.55 0.00 0.00 66.41 64.48 1s51 h THR 90 Cb 2.03 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1s51 h THR 90 CO 0.19 0.39 -0.37 1.55 -0.25 0.00 0.00 175.52 177.04 1s51 h PRO 91 N 0.89 0.00 -0.33 4.72 0.13 -1.77 -2.51 132.00 133.14 1s51 h PRO 91 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 1s51 h PRO 91 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1s51 h PRO 91 CO 0.02 0.37 -0.24 -0.07 -0.23 0.00 0.00 178.00 177.85 1s51 h LEU 92 N 0.00 0.66 -0.76 1.56 3.38 -1.46 0.13 115.31 118.82 1s51 h LEU 92 Ca -0.00 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1s51 h LEU 92 Cb 0.84 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1s51 h LEU 92 CO 0.05 0.88 -0.26 -0.07 0.09 0.00 0.00 178.44 179.13 1s51 h LEU 93 N 0.57 0.66 -0.53 1.67 3.38 -1.25 -1.41 115.31 118.40 1s51 h LEU 93 Ca 0.08 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 1s51 h LEU 93 Cb 0.72 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1s51 h LEU 93 CO 0.06 0.90 -0.29 -0.07 0.09 0.00 0.00 178.44 179.13 1s51 h LEU 94 N 0.56 0.91 -0.62 1.67 4.07 -1.23 -2.72 115.31 117.96 1s51 h LEU 94 Ca 0.08 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 1s51 h LEU 94 Cb 0.74 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 1s51 h LEU 94 CO 0.06 1.14 0.35 0.25 -1.08 0.00 0.00 178.44 179.16 1s51 h LEU 95 N 0.74 0.77 -0.41 1.67 5.85 -0.37 -1.40 115.31 122.16 1s51 h LEU 95 Ca 0.08 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1s51 h LEU 95 Cb 0.85 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1s51 h LEU 95 CO 0.07 0.63 0.18 0.44 -0.34 0.00 0.00 178.44 179.42 1s51 h ASP 96 N 0.85 0.23 -0.40 1.25 3.32 -1.16 0.12 116.42 120.62 1s51 h ASP 96 Ca 0.22 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1s51 h ASP 96 Cb 0.02 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1s51 h ASP 96 CO -0.04 0.17 0.05 -0.07 -1.72 0.00 0.00 179.24 177.63 1s51 h LEU 97 N 0.37 0.72 -0.36 1.55 3.38 -1.14 -2.49 115.31 117.33 1s51 h LEU 97 Ca 0.18 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1s51 h LEU 97 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1s51 h LEU 97 CO -0.16 0.76 -0.62 0.00 0.09 0.00 0.00 178.44 178.51 1s51 h ALA 98 N 1.33 0.53 0.00 1.53 0.00 -0.74 -2.96 119.26 118.95 1s51 h ALA 98 Ca 0.15 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1s51 h ALA 98 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1s51 h ALA 98 CO 0.01 0.70 -0.34 -0.07 0.00 0.00 0.00 179.25 179.54 1s51 h LEU 99 N 0.51 0.00 -0.37 0.00 3.38 -0.88 -0.46 115.31 117.50 1s51 h LEU 99 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1s51 h LEU 99 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1s51 h LEU 99 CO 0.12 0.34 -0.24 0.25 0.09 0.00 0.00 178.44 179.01 1s51 h LEU 100 N 0.00 0.84 -2.58 1.67 5.85 -1.29 -3.24 115.31 116.56 1s51 h LEU 100 Ca -0.00 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1s51 h LEU 100 Cb 0.81 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1s51 h LEU 100 CO 0.04 1.09 0.00 1.33 -0.34 0.00 0.00 178.44 180.56 1s51 n VAL 101 N -4.23 0.79 -3.56 1.05 0.24 -1.14 -4.96 118.33 106.52 1s51 n VAL 101 Ca -0.02 -0.90 -0.23 0.00 -2.04 0.00 0.00 64.34 61.15 1s51 n VAL 101 Cb 0.45 0.71 0.08 0.00 -1.47 0.00 0.00 33.84 33.60 1s51 n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1s51 n ASP 102 N 1.59 -5.95 -4.54 -1.34 2.03 -0.79 -4.49 116.55 103.06 1s51 n ASP 102 Ca 0.22 -0.54 -0.35 0.00 0.52 0.00 0.00 54.79 54.65 1s51 n ASP 102 Cb 0.62 -4.96 0.10 0.00 -0.72 0.00 0.00 41.12 36.16 1s51 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s51 n ALA 103 N -4.89 -1.07 -1.83 -1.67 0.00 -0.25 -4.98 120.51 105.83 1s51 n ALA 103 Ca -0.02 -0.31 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 1s51 n ALA 103 Cb 0.57 -1.99 0.02 0.00 0.00 0.00 0.00 19.45 18.04 1s51 n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s51 s ASP 104 N -1.75 6.07 0.23 0.00 1.01 -1.26 -4.92 116.67 116.06 1s51 s ASP 104 Ca 0.68 1.44 -0.07 0.00 0.71 0.00 0.00 52.55 55.30 1s51 s ASP 104 Cb -0.31 -2.45 0.22 0.00 1.01 0.00 0.00 42.92 41.39 1s51 s ASP 104 CO 0.56 -0.97 1.89 -0.61 0.21 0.00 0.00 175.17 176.24 1s51 h GLN 105 N -0.39 1.24 -0.48 8.23 4.15 -1.99 -1.97 115.11 123.89 1s51 h GLN 105 Ca -0.44 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 58.85 1s51 h GLN 105 Cb 1.20 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 1s51 h GLN 105 CO 0.61 0.86 0.18 0.78 -1.93 0.00 0.00 178.83 179.34 1s51 h GLY 106 N 1.26 0.74 0.74 2.39 0.00 -1.99 -0.17 103.07 106.05 1s51 h GLY 106 Ca 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1s51 h GLY 106 CO -0.06 0.35 -0.11 -0.84 0.00 0.00 0.00 176.54 175.88 1s51 h THR 107 N 0.68 0.85 -0.19 4.70 2.02 -1.82 0.07 112.91 119.23 1s51 h THR 107 Ca 0.16 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.87 1s51 h THR 107 Cb 0.15 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1s51 h THR 107 CO -0.01 0.11 -0.00 0.40 0.37 0.00 0.00 175.52 176.38 1s51 h ILE 108 N -0.56 0.86 -0.19 3.11 2.04 -1.10 0.22 117.51 121.90 1s51 h ILE 108 Ca -0.03 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1s51 h ILE 108 Cb 0.41 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1s51 h ILE 108 CO 0.05 0.01 -0.05 0.25 0.00 0.00 0.00 178.15 178.41 1s51 h LEU 109 N 0.05 -0.19 -1.43 1.44 6.46 -0.98 0.21 115.31 120.88 1s51 h LEU 109 Ca 0.09 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1s51 h LEU 109 Cb 0.11 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1s51 h LEU 109 CO -0.15 -0.07 -0.16 0.00 -0.62 0.00 0.00 178.44 177.44 1s51 h ALA 110 N 1.18 1.53 -0.08 1.25 0.00 -0.30 0.11 119.26 122.96 1s51 h ALA 110 Ca 0.09 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1s51 h ALA 110 Cb 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1s51 h ALA 110 CO -0.20 0.34 -0.82 -0.07 0.00 0.00 0.00 179.25 178.50 1s51 h LEU 111 N 0.17 0.85 -0.82 0.00 3.38 0.51 -1.98 115.31 117.42 1s51 h LEU 111 Ca 0.03 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.23 1s51 h LEU 111 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1s51 h LEU 111 CO 0.02 1.41 -0.11 0.58 0.09 0.00 0.00 178.44 180.43 1s51 h VAL 112 N 0.36 1.26 -0.46 1.22 2.07 -0.38 -2.03 116.25 118.29 1s51 h VAL 112 Ca -0.08 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.16 1s51 h VAL 112 Cb 1.47 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1s51 h VAL 112 CO 0.16 0.40 -0.16 1.23 0.02 0.00 0.00 177.57 179.23 1s51 h GLY 113 N 0.97 0.96 1.46 2.17 0.00 -0.78 -0.64 103.07 107.21 1s51 h GLY 113 Ca 0.12 -0.78 -0.13 0.00 0.00 0.00 0.00 47.33 46.54 1s51 h GLY 113 CO 0.04 0.71 -0.37 0.00 0.00 0.00 0.00 176.54 176.93 1s51 h ALA 114 N 1.03 0.86 -0.53 3.60 0.00 -1.25 -2.70 119.26 120.27 1s51 h ALA 114 Ca 0.12 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1s51 h ALA 114 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1s51 h ALA 114 CO 0.05 0.64 -0.09 0.22 0.00 0.00 0.00 179.25 180.07 1s51 h ASP 115 N 0.51 0.98 -0.84 0.00 1.82 -1.28 -0.84 116.42 116.77 1s51 h ASP 115 Ca 0.05 -0.31 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 1s51 h ASP 115 Cb 0.87 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 40.57 1s51 h ASP 115 CO 0.07 1.08 0.39 1.23 -1.61 0.00 0.00 179.24 180.41 1s51 h GLY 116 N 0.96 1.30 0.85 -0.78 0.00 -0.94 -2.57 103.07 101.89 1s51 h GLY 116 Ca 0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1s51 h GLY 116 CO 0.04 0.62 0.04 -2.22 0.00 0.00 0.00 176.54 175.03 1s51 h ILE 117 N 1.20 1.17 -0.27 2.60 2.04 -1.16 -0.60 117.51 122.49 1s51 h ILE 117 Ca 0.29 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.69 1s51 h ILE 117 Cb 0.13 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1s51 h ILE 117 CO -0.03 0.16 -0.19 -0.03 0.00 0.00 0.00 178.15 178.05 1s51 h MET 118 N 0.03 -0.17 -0.17 2.37 4.05 -1.03 0.32 114.93 120.33 1s51 h MET 118 Ca 0.04 0.01 -0.19 0.00 -0.28 0.00 0.00 59.70 59.28 1s51 h MET 118 Cb 0.21 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1s51 h MET 118 CO -0.00 -0.11 -0.68 0.82 0.23 0.00 0.00 176.91 177.17 1s51 h ILE 119 N -0.18 1.31 0.13 1.77 1.08 -1.48 -1.22 117.51 118.93 1s51 h ILE 119 Ca 0.15 -1.93 -0.01 0.00 -0.39 0.00 0.00 64.86 62.68 1s51 h ILE 119 Cb 0.40 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1s51 h ILE 119 CO -0.38 0.61 -0.06 1.23 -0.69 0.00 0.00 178.15 178.85 1s51 h GLY 120 N 0.86 -0.19 1.95 5.37 0.00 -0.76 -1.63 103.07 108.67 1s51 h GLY 120 Ca -0.02 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1s51 h GLY 120 CO 0.13 -0.07 -0.46 -0.91 0.00 0.00 0.00 176.54 175.24 1s51 h THR 121 N -0.42 1.33 -0.09 4.70 1.35 -0.45 -2.09 112.91 117.24 1s51 h THR 121 Ca -0.02 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1s51 h THR 121 Cb 0.33 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1s51 h THR 121 CO 0.03 0.46 0.06 1.23 -0.25 0.00 0.00 175.52 177.05 1s51 h GLY 122 N 1.36 0.13 0.97 5.82 0.00 -1.12 0.52 103.07 110.75 1s51 h GLY 122 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1s51 h GLY 122 CO 0.06 0.05 0.22 -2.00 0.00 0.00 0.00 176.54 174.87 1s51 h LEU 123 N 0.11 0.71 -0.91 3.11 5.85 -1.17 0.29 115.31 123.30 1s51 h LEU 123 Ca 0.03 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1s51 h LEU 123 Cb 0.00 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 1s51 h LEU 123 CO -0.01 0.67 0.56 0.58 -0.34 0.00 0.00 178.44 179.90 1s51 h VAL 124 N 0.70 0.98 0.02 1.05 2.07 -1.18 0.11 116.25 119.99 1s51 h VAL 124 Ca 0.17 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1s51 h VAL 124 Cb 0.18 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1s51 h VAL 124 CO -0.02 0.17 -0.01 1.23 0.02 0.00 0.00 177.57 178.97 1s51 h GLY 125 N 0.96 -0.02 2.00 2.17 0.00 0.00 0.29 103.07 108.46 1s51 h GLY 125 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1s51 h GLY 125 CO -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.31 1s51 h ALA 126 N 0.76 1.00 0.00 3.60 0.00 0.41 -2.82 119.26 122.21 1s51 h ALA 126 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s51 h ALA 126 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s51 h ALA 126 CO 0.00 0.00 -1.60 1.28 0.00 0.00 0.00 179.25 178.93 1s51 n LEU 127 N -2.39 0.39 -4.76 0.00 4.77 0.29 -4.93 117.00 110.37 1s51 n LEU 127 Ca 0.00 -0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.37 1s51 n LEU 127 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1s51 n LEU 127 CO 0.16 0.10 1.11 -0.89 -1.33 0.00 0.00 177.39 176.55 1s51 s THR 128 N -3.31 2.47 -0.35 -5.08 2.01 0.04 -4.94 115.64 106.47 1s51 s THR 128 Ca -0.02 0.42 0.23 0.00 0.31 0.00 0.00 61.69 62.62 1s51 s THR 128 Cb 0.15 -3.27 -0.11 0.00 0.01 0.00 0.00 72.50 69.28 1s51 s THR 128 CO 0.89 0.08 0.93 0.29 -0.69 0.00 0.00 174.62 176.11 1s51 n LYS 129 N 1.76 0.48 -3.16 4.92 5.02 -1.26 -4.75 118.16 121.17 1s51 n LYS 129 Ca 0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 1s51 n LYS 129 Cb 0.40 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 1s51 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s51 s VAL 130 N -3.32 4.98 0.16 -0.18 1.01 -1.26 -4.47 120.40 117.31 1s51 s VAL 130 Ca -0.00 0.79 -0.25 0.00 0.00 0.00 0.00 61.98 62.52 1s51 s VAL 130 Cb 0.12 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1s51 s VAL 130 CO 0.82 -0.10 1.59 0.22 0.00 0.00 0.00 175.10 177.63 1s51 h TYR 131 N 8.19 -1.02 -0.33 5.22 5.03 -1.92 -2.53 116.97 129.61 1s51 h TYR 131 Ca -0.27 0.06 -0.04 0.00 2.58 0.00 0.00 58.73 61.05 1s51 h TYR 131 Cb 1.12 0.50 -0.02 0.00 1.55 0.00 0.00 36.73 39.89 1s51 h TYR 131 CO 0.75 -0.41 0.01 0.66 -1.32 0.00 0.00 178.16 177.86 1s51 h SER 132 N -0.29 0.47 0.29 -2.11 4.64 -1.98 -2.27 113.55 112.31 1s51 h SER 132 Ca 0.15 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1s51 h SER 132 Cb 0.56 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1s51 h SER 132 CO -0.53 0.53 -0.08 1.88 -0.87 0.00 0.00 176.83 177.76 1s51 h TYR 133 N 0.49 0.00 -0.71 4.77 0.05 -1.88 -1.54 116.97 118.15 1s51 h TYR 133 Ca 0.11 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.89 1s51 h TYR 133 Cb 0.30 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 1s51 h TYR 133 CO 0.01 0.08 0.47 0.00 -1.05 0.00 0.00 178.16 177.67 1s51 h ARG 134 N 0.00 0.93 0.00 4.88 3.08 -1.14 -1.68 114.38 120.45 1s51 h ARG 134 Ca -0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1s51 h ARG 134 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1s51 h ARG 134 CO 0.01 0.62 -0.26 0.74 -1.07 0.00 0.00 179.97 180.01 1s51 h PHE 135 N 0.96 0.00 -0.15 3.04 0.04 -1.39 -2.03 116.94 117.41 1s51 h PHE 135 Ca 0.26 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 1s51 h PHE 135 Cb -0.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1s51 h PHE 135 CO 0.00 0.26 -0.03 0.28 -0.60 0.00 0.00 178.31 178.22 1s51 h VAL 136 N 0.00 1.29 -0.64 -0.55 2.07 -1.11 -0.63 116.25 116.68 1s51 h VAL 136 Ca -0.00 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1s51 h VAL 136 Cb 1.15 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1s51 h VAL 136 CO 0.03 0.29 0.22 -0.50 0.02 0.00 0.00 177.57 177.63 1s51 h TRP 137 N -0.02 1.02 -0.23 1.57 4.06 -1.48 -2.33 115.95 118.54 1s51 h TRP 137 Ca 0.04 -0.10 0.04 0.00 2.06 0.00 0.00 58.89 60.93 1s51 h TRP 137 Cb 0.46 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 1s51 h TRP 137 CO 0.05 0.82 0.01 2.35 -3.56 0.00 0.00 178.44 178.11 1s51 h TRP 138 N 0.92 0.00 -0.78 0.49 7.01 -1.35 -0.60 115.95 121.65 1s51 h TRP 138 Ca 0.21 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.32 1s51 h TRP 138 Cb 0.27 0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.29 1s51 h TRP 138 CO 0.02 -0.03 0.42 0.00 -2.79 0.00 0.00 178.44 176.07 1s51 h ALA 139 N 1.19 1.11 -0.34 2.65 0.00 -0.91 -0.96 119.26 122.00 1s51 h ALA 139 Ca 0.11 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1s51 h ALA 139 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1s51 h ALA 139 CO -0.17 0.03 -0.47 0.82 0.00 0.00 0.00 179.25 179.45 1s51 h ILE 140 N 0.71 1.27 -0.50 0.00 2.04 -0.87 -2.50 117.51 117.66 1s51 h ILE 140 Ca 0.38 -1.65 0.01 0.00 1.00 0.00 0.00 64.86 64.61 1s51 h ILE 140 Cb 0.38 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1s51 h ILE 140 CO -0.26 0.55 0.32 -1.28 0.00 0.00 0.00 178.15 177.47 1s51 h SER 141 N 0.72 0.54 -0.26 1.72 0.87 -0.75 -1.99 113.55 114.41 1s51 h SER 141 Ca 0.04 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 1s51 h SER 141 Cb 1.08 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1s51 h SER 141 CO 0.11 0.39 0.02 0.74 -0.53 0.00 0.00 176.83 177.55 1s51 h THR 142 N 0.64 1.20 -0.05 2.23 2.02 -1.12 -1.74 112.91 116.09 1s51 h THR 142 Ca 0.19 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 1s51 h THR 142 Cb -0.04 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1s51 h THR 142 CO -0.06 0.27 -0.35 0.00 0.37 0.00 0.00 175.52 175.75 1s51 h ALA 143 N 1.49 1.32 -0.27 6.16 0.00 -1.06 0.60 119.26 127.50 1s51 h ALA 143 Ca 0.12 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1s51 h ALA 143 Cb 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1s51 h ALA 143 CO 0.01 0.49 -0.33 0.00 0.00 0.00 0.00 179.25 179.42 1s51 h ALA 144 N 1.56 0.41 -0.54 0.00 0.00 -0.69 -1.86 119.26 118.14 1s51 h ALA 144 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1s51 h ALA 144 Cb 0.67 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1s51 h ALA 144 CO 0.05 0.45 -0.03 1.98 0.00 0.00 0.00 179.25 181.70 1s51 h MET 145 N 0.44 0.94 -0.04 0.00 -1.53 -0.86 -1.94 114.93 111.94 1s51 h MET 145 Ca 0.04 -0.30 -0.09 0.00 -3.44 0.00 0.00 59.70 55.91 1s51 h MET 145 Cb 0.91 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.86 1s51 h MET 145 CO 0.08 0.95 -0.39 -0.07 0.14 0.00 0.00 176.91 177.62 1s51 h LEU 146 N 0.86 0.08 -0.05 3.39 3.38 -0.84 -0.65 115.31 121.49 1s51 h LEU 146 Ca 0.15 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1s51 h LEU 146 Cb 0.55 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1s51 h LEU 146 CO 0.03 0.47 0.01 0.22 0.09 0.00 0.00 178.44 179.26 1s51 h TYR 147 N 0.07 0.08 -0.26 1.13 3.20 -0.64 -1.05 116.97 119.49 1s51 h TYR 147 Ca 0.01 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1s51 h TYR 147 Cb 0.73 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1s51 h TYR 147 CO 0.00 0.28 0.09 0.82 -1.64 0.00 0.00 178.16 177.72 1s51 h ILE 148 N -0.14 0.94 -0.35 1.81 2.04 -1.18 -1.17 117.51 119.45 1s51 h ILE 148 Ca 0.01 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 1s51 h ILE 148 Cb 0.24 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1s51 h ILE 148 CO 0.00 0.04 -0.07 -0.07 0.00 0.00 0.00 178.15 178.05 1s51 h LEU 149 N 0.22 0.56 0.06 1.44 3.38 -1.08 -0.00 115.31 119.88 1s51 h LEU 149 Ca 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1s51 h LEU 149 Cb 0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1s51 h LEU 149 CO -0.11 0.67 -0.03 0.22 0.09 0.00 0.00 178.44 179.28 1s51 h TYR 150 N 0.54 -0.08 -0.58 1.13 3.20 -0.91 -1.17 116.97 119.11 1s51 h TYR 150 Ca 0.11 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1s51 h TYR 150 Cb 0.45 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1s51 h TYR 150 CO 0.02 0.03 0.37 0.28 -1.64 0.00 0.00 178.16 177.22 1s51 h VAL 151 N -0.17 1.16 -0.51 1.81 2.07 -0.82 0.38 116.25 120.16 1s51 h VAL 151 Ca -0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1s51 h VAL 151 Cb 0.15 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1s51 h VAL 151 CO 0.01 0.16 0.26 -0.07 0.02 0.00 0.00 177.57 177.95 1s51 h LEU 152 N 0.78 0.64 0.10 2.57 4.07 -0.86 0.11 115.31 122.72 1s51 h LEU 152 Ca 0.21 -0.05 -0.27 0.00 0.08 0.00 0.00 57.88 57.84 1s51 h LEU 152 Cb -0.06 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 1s51 h LEU 152 CO -0.04 0.54 -1.43 0.15 -1.08 0.00 0.00 178.44 176.57 1s51 h PHE 153 N 0.72 0.37 0.04 1.13 3.04 -0.92 -3.20 116.94 118.13 1s51 h PHE 153 Ca 0.18 -0.27 -0.29 0.00 3.98 0.00 0.00 57.97 61.57 1s51 h PHE 153 Cb 0.06 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 1s51 h PHE 153 CO 0.01 1.56 -1.56 1.19 -2.02 0.00 0.00 178.31 177.48 1s51 n PHE 154 N -3.96 1.07 0.00 0.41 3.72 0.13 -4.26 117.46 114.58 1s51 n PHE 154 Ca -0.26 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1s51 n PHE 154 Cb 0.88 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 1s51 n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s51 n GLY 155 N 1.62 -0.89 0.42 1.37 0.00 0.33 -3.72 105.19 104.33 1s51 n GLY 155 Ca -0.33 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1s51 n GLY 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1s51 h PHE 156 N 0.00 -1.81 -0.95 1.61 -1.00 -1.55 0.62 116.94 113.86 1s51 h PHE 156 Ca 0.00 0.12 0.29 0.00 2.81 0.00 0.00 57.97 61.19 1s51 h PHE 156 Cb 0.00 0.91 -0.15 0.00 3.61 0.00 0.00 35.95 40.32 1s51 h PHE 156 CO 0.03 -0.39 0.39 1.15 -1.61 0.00 0.00 178.31 177.88 1s51 h THR 157 N -0.05 0.26 -0.13 -1.55 2.02 -1.73 0.78 112.91 112.51 1s51 h THR 157 Ca 0.17 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1s51 h THR 157 Cb 0.45 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1s51 h THR 157 CO -0.90 0.04 0.08 -1.28 0.37 0.00 0.00 175.52 173.82 1s51 h SER 158 N 0.22 0.15 0.26 4.18 0.87 -0.97 -2.90 113.55 115.37 1s51 h SER 158 Ca 0.66 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 61.09 1s51 h SER 158 Cb 1.46 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1s51 h SER 158 CO -0.67 0.16 -0.33 0.50 -0.53 0.00 0.00 176.83 175.96 1s51 h LYS 159 N 0.14 0.12 0.00 2.24 3.64 0.74 -1.54 116.57 121.90 1s51 h LYS 159 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s51 h LYS 159 Cb 0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1s51 h LYS 159 CO -0.01 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.61 1s51 n ALA 160 N -2.47 1.84 1.11 5.00 0.00 0.11 -1.23 120.51 124.87 1s51 n ALA 160 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1s51 n ALA 160 Cb 0.40 -1.11 0.31 0.00 0.00 0.00 0.00 19.45 19.04 1s51 n ALA 160 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s51 n GLU 161 N -0.87 2.03 -0.00 0.00 -0.58 -0.58 -3.31 120.64 117.34 1s51 n GLU 161 Ca 0.05 -1.52 0.09 0.00 -0.42 0.00 0.00 57.16 55.36 1s51 n GLU 161 Cb 0.02 -1.46 -0.11 0.00 -0.57 0.00 0.00 31.44 29.32 1s51 n GLU 161 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1s51 n SER 162 N 0.80 0.87 -4.79 1.62 3.41 -0.36 -4.95 113.62 110.23 1s51 n SER 162 Ca 0.17 -0.93 -0.24 0.00 -0.26 0.00 0.00 58.87 57.61 1s51 n SER 162 Cb 0.47 1.01 0.08 0.00 -0.26 0.00 0.00 64.21 65.52 1s51 n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s51 s MET 163 N -2.76 1.98 0.31 4.33 -1.94 -1.21 -5.07 119.30 114.93 1s51 s MET 163 Ca 0.07 -0.67 -0.22 0.00 -1.71 0.00 0.00 55.69 53.15 1s51 s MET 163 Cb 0.14 -2.27 -0.09 0.00 2.01 0.00 0.00 34.83 34.61 1s51 s MET 163 CO 0.76 -1.28 0.85 1.03 -0.01 0.00 0.00 175.02 176.38 1s51 s ARG 164 N -5.15 4.36 0.33 2.03 1.81 -1.26 -4.76 118.95 116.30 1s51 s ARG 164 Ca 0.63 1.08 0.10 0.00 -1.72 0.00 0.00 55.73 55.81 1s51 s ARG 164 Cb -0.08 -2.68 0.98 0.00 -0.45 0.00 0.00 34.95 32.71 1s51 s ARG 164 CO 0.44 0.25 1.63 -1.00 -0.68 0.00 0.00 175.30 175.93 1s51 h PRO 165 N 2.93 0.16 -0.82 3.54 0.13 -1.96 0.66 132.00 136.64 1s51 h PRO 165 Ca -0.48 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1s51 h PRO 165 Cb 1.19 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1s51 h PRO 165 CO 0.64 0.11 0.49 1.49 -0.23 0.00 0.00 178.00 180.51 1s51 h GLU 166 N 0.17 0.85 -0.08 0.86 4.57 -1.98 1.41 114.58 120.38 1s51 h GLU 166 Ca 0.68 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.65 1s51 h GLU 166 Cb 1.56 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1s51 h GLU 166 CO -0.71 0.56 -0.58 0.28 -1.18 0.00 0.00 179.01 177.38 1s51 h VAL 167 N 0.88 1.36 -0.29 0.32 2.07 -0.19 -1.78 116.25 118.62 1s51 h VAL 167 Ca 0.37 -1.91 -0.10 0.00 0.82 0.00 0.00 66.70 65.88 1s51 h VAL 167 Cb 0.23 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1s51 h VAL 167 CO -0.20 0.58 -0.24 0.00 0.02 0.00 0.00 177.57 177.73 1s51 h ALA 168 N 0.45 1.05 0.00 1.67 0.00 -0.22 -1.57 119.26 120.65 1s51 h ALA 168 Ca -0.05 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1s51 h ALA 168 Cb 1.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1s51 h ALA 168 CO 0.12 0.57 -0.65 0.66 0.00 0.00 0.00 179.25 179.95 1s51 h SER 169 N 0.49 0.00 -0.11 0.00 4.64 0.19 -1.95 113.55 116.81 1s51 h SER 169 Ca 0.07 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 1s51 h SER 169 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1s51 h SER 169 CO 0.05 0.65 -0.66 0.74 -0.87 0.00 0.00 176.83 176.74 1s51 h THR 170 N 0.00 1.30 -0.57 2.95 2.02 -1.10 -3.09 112.91 114.42 1s51 h THR 170 Ca -0.01 -1.89 -0.07 0.00 0.77 0.00 0.00 66.41 65.22 1s51 h THR 170 Cb 1.28 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1s51 h THR 170 CO 0.09 0.60 0.09 0.15 0.37 0.00 0.00 175.52 176.82 1s51 h PHE 171 N 0.53 1.01 -0.31 3.16 3.57 -1.21 -2.25 116.94 121.44 1s51 h PHE 171 Ca -0.02 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.26 1s51 h PHE 171 Cb 1.27 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1s51 h PHE 171 CO 0.07 0.88 -0.15 1.57 -2.23 0.00 0.00 178.31 178.45 1s51 h LYS 172 N 0.85 0.54 -0.21 1.11 -0.00 -1.38 0.25 116.57 117.72 1s51 h LYS 172 Ca 0.17 -0.17 -0.04 0.00 -0.00 0.00 0.00 60.65 60.61 1s51 h LYS 172 Cb 0.41 -0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 32.59 1s51 h LYS 172 CO 0.01 0.68 -0.03 0.28 -0.00 0.00 0.00 179.45 180.39 1s51 h VAL 173 N 0.49 1.27 -0.54 0.07 2.07 -1.46 0.98 116.25 119.14 1s51 h VAL 173 Ca 0.09 -0.97 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1s51 h VAL 173 Cb 0.55 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1s51 h VAL 173 CO 0.04 0.30 -0.02 -0.07 0.02 0.00 0.00 177.57 177.83 1s51 h LEU 174 N 0.14 0.93 -0.32 2.57 3.38 -1.11 0.11 115.31 121.02 1s51 h LEU 174 Ca 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1s51 h LEU 174 Cb 0.46 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1s51 h LEU 174 CO 0.02 1.00 0.12 -0.09 0.09 0.00 0.00 178.44 179.58 1s51 h ARG 175 N 0.87 0.48 -0.00 1.13 2.43 -0.45 -0.60 114.38 118.24 1s51 h ARG 175 Ca 0.16 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1s51 h ARG 175 Cb 0.55 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1s51 h ARG 175 CO 0.03 0.50 0.00 -0.91 -1.51 0.00 0.00 179.97 178.08 1s51 h ASN 176 N 0.37 0.00 -0.99 -3.80 -0.26 -0.45 -0.30 115.58 110.15 1s51 h ASN 176 Ca 0.11 -0.15 0.07 0.00 -0.56 0.00 0.00 56.30 55.76 1s51 h ASN 176 Cb 0.20 -0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.39 1s51 h ASN 176 CO -0.01 0.15 0.64 0.58 -1.06 0.00 0.00 177.43 177.73 1s51 h VAL 177 N -0.15 1.07 -0.45 2.81 2.07 -0.68 -1.67 116.25 119.25 1s51 h VAL 177 Ca 0.00 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1s51 h VAL 177 Cb 0.15 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1s51 h VAL 177 CO -0.00 0.21 0.08 0.74 0.02 0.00 0.00 177.57 178.62 1s51 h THR 178 N 1.14 1.24 -0.45 2.57 2.02 -0.73 -0.13 112.91 118.57 1s51 h THR 178 Ca 0.43 -0.88 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 1s51 h THR 178 Cb 0.20 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1s51 h THR 178 CO -0.18 0.31 -0.10 0.58 0.37 0.00 0.00 175.52 176.50 1s51 h VAL 179 N 0.60 1.27 0.14 3.16 2.07 -0.72 -0.56 116.25 122.21 1s51 h VAL 179 Ca 0.14 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1s51 h VAL 179 Cb 0.37 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1s51 h VAL 179 CO 0.01 0.42 -0.07 0.58 0.02 0.00 0.00 177.57 178.52 1s51 h VAL 180 N 0.70 0.98 0.14 2.57 2.07 -1.24 -2.63 116.25 118.86 1s51 h VAL 180 Ca 0.12 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1s51 h VAL 180 Cb 0.64 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1s51 h VAL 180 CO 0.04 0.14 -0.07 -0.07 0.02 0.00 0.00 177.57 177.63 1s51 h LEU 181 N -0.47 -0.16 -1.56 2.57 3.38 -1.01 -3.08 115.31 114.99 1s51 h LEU 181 Ca -0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1s51 h LEU 181 Cb 0.37 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1s51 h LEU 181 CO 0.03 0.05 0.16 -0.50 0.09 0.00 0.00 178.44 178.27 1s51 h TRP 182 N -0.37 0.44 -0.90 1.13 4.06 -1.21 -0.88 115.95 118.22 1s51 h TRP 182 Ca -0.02 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.01 1s51 h TRP 182 Cb 0.29 -0.14 -0.06 0.00 -1.00 0.00 0.00 29.16 28.25 1s51 h TRP 182 CO -0.01 0.33 0.58 0.77 -3.56 0.00 0.00 178.44 176.55 1s51 h SER 183 N 0.46 0.85 0.28 -3.49 0.02 -1.38 -2.67 113.55 107.62 1s51 h SER 183 Ca 0.12 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 1s51 h SER 183 Cb 0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1s51 h SER 183 CO -0.02 0.51 -0.44 0.00 -1.14 0.00 0.00 176.83 175.74 1s51 h ALA 184 N 1.54 1.09 -0.71 3.77 0.00 -1.12 -3.33 119.26 120.49 1s51 h ALA 184 Ca 0.41 -0.43 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1s51 h ALA 184 Cb 0.33 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1s51 h ALA 184 CO -0.17 0.61 0.32 1.88 0.00 0.00 0.00 179.25 181.89 1s51 h TYR 185 N 0.17 0.57 -0.17 0.00 -1.99 -1.44 -1.74 116.97 112.37 1s51 h TYR 185 Ca 0.01 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 1s51 h TYR 185 Cb 0.86 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 1s51 h TYR 185 CO 0.01 0.17 -0.21 -1.00 -0.00 0.00 0.00 178.16 177.13 1s51 h PRO 186 N 0.54 0.29 -0.30 4.88 0.13 -1.74 -1.64 132.00 134.16 1s51 h PRO 186 Ca 0.36 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 65.29 1s51 h PRO 186 Cb 0.44 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1s51 h PRO 186 CO -0.31 0.50 -0.24 0.28 -0.23 0.00 0.00 178.00 178.00 1s51 h VAL 187 N 0.27 1.30 -0.71 1.56 2.07 -1.61 -1.54 116.25 117.59 1s51 h VAL 187 Ca 0.05 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1s51 h VAL 187 Cb 0.53 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1s51 h VAL 187 CO 0.04 0.45 0.46 0.58 0.02 0.00 0.00 177.57 179.11 1s51 h VAL 188 N 0.44 1.19 -0.26 2.57 2.07 -0.99 -2.22 116.25 119.05 1s51 h VAL 188 Ca 0.06 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1s51 h VAL 188 Cb 0.79 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1s51 h VAL 188 CO 0.06 0.19 0.14 -0.25 0.02 0.00 0.00 177.57 177.73 1s51 h TRP 189 N 0.96 0.37 -0.78 1.57 7.01 -1.23 -1.57 115.95 122.28 1s51 h TRP 189 Ca 0.26 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 1s51 h TRP 189 Cb -0.09 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.82 1s51 h TRP 189 CO -0.02 0.32 0.47 1.25 -2.79 0.00 0.00 178.44 177.67 1s51 h LEU 190 N 0.31 0.94 -1.12 0.65 5.85 -0.82 -2.16 115.31 118.95 1s51 h LEU 190 Ca 0.09 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1s51 h LEU 190 Cb 0.08 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1s51 h LEU 190 CO -0.01 0.72 -0.28 2.30 -0.34 0.00 0.00 178.44 180.83 1s51 n ILE 191 N -4.48 0.00 -2.06 4.05 -5.35 -0.88 0.94 119.36 111.57 1s51 n ILE 191 Ca 0.08 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1s51 n ILE 191 Cb 0.05 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 1s51 n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s51 n GLY 192 N 1.36 1.85 0.39 3.28 0.00 -0.59 0.46 105.19 111.94 1s51 n GLY 192 Ca 0.12 -2.04 0.19 0.00 0.00 0.00 0.00 46.02 44.29 1s51 n GLY 192 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s51 h SER 193 N 0.00 0.50 1.80 1.61 0.02 -1.80 0.30 113.55 115.99 1s51 h SER 193 Ca 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1s51 h SER 193 Cb 0.00 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1s51 h SER 193 CO 0.00 0.17 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.33 1s51 h GLU 194 N 0.48 0.00 0.00 3.45 3.07 -1.89 -3.43 114.58 116.26 1s51 h GLU 194 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1s51 h GLU 194 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1s51 h GLU 194 CO -0.25 0.05 0.00 0.41 -1.40 0.00 0.00 179.01 177.81 1s51 n GLY 195 N 1.13 1.33 0.16 -3.84 0.00 -0.62 -4.91 105.19 98.44 1s51 n GLY 195 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1s51 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s51 n ALA 196 N -3.00 0.99 -2.13 4.61 0.00 0.27 -4.84 120.51 116.40 1s51 n ALA 196 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.46 1s51 n ALA 196 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 1s51 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s51 n GLY 197 N -1.30 0.14 0.07 0.00 0.00 0.95 -4.91 105.19 100.14 1s51 n GLY 197 Ca -0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1s51 n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s51 h ILE 198 N 0.00 1.58 -3.38 -0.61 2.04 -0.79 -3.44 117.51 112.91 1s51 h ILE 198 Ca -0.39 -2.15 -0.58 0.00 1.00 0.00 0.00 64.86 62.74 1s51 h ILE 198 Cb 1.26 2.97 -0.08 0.00 -0.74 0.00 0.00 36.82 40.23 1s51 h ILE 198 CO 0.49 0.53 0.07 -0.69 0.00 0.00 0.00 178.15 178.54 1s51 s VAL 199 N -2.23 5.06 0.74 1.67 1.01 0.17 -4.99 120.40 121.84 1s51 s VAL 199 Ca -0.17 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1s51 s VAL 199 Cb -0.02 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.45 1s51 s VAL 199 CO 0.61 0.19 1.14 -2.16 0.00 0.00 0.00 175.10 174.88 1s51 s PRO 200 N 1.31 2.22 0.28 2.72 0.04 -1.26 -3.80 135.00 136.50 1s51 s PRO 200 Ca 0.31 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1s51 s PRO 200 Cb -0.16 -1.87 0.64 0.00 0.04 0.00 0.00 34.50 33.14 1s51 s PRO 200 CO 0.13 -1.71 1.73 1.25 0.04 0.00 0.00 177.00 178.43 1s51 h LEU 201 N -0.63 0.43 -0.04 -3.56 5.85 -1.96 0.58 115.31 115.99 1s51 h LEU 201 Ca -0.46 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1s51 h LEU 201 Cb 1.26 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1s51 h LEU 201 CO 0.50 0.11 0.02 -0.55 -0.34 0.00 0.00 178.44 178.18 1s51 h ASN 202 N 0.51 0.05 -0.55 1.25 -1.07 -1.91 0.59 115.58 114.44 1s51 h ASN 202 Ca 0.51 -0.07 -0.09 0.00 0.07 0.00 0.00 56.30 56.72 1s51 h ASN 202 Cb 0.87 -0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 37.08 1s51 h ASN 202 CO -0.45 0.11 -0.00 0.40 0.07 0.00 0.00 177.43 177.56 1s51 h ILE 203 N -0.02 1.26 -0.72 6.14 2.04 -1.78 -2.30 117.51 122.14 1s51 h ILE 203 Ca 0.01 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.77 1s51 h ILE 203 Cb 0.07 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1s51 h ILE 203 CO -0.00 0.40 0.48 -0.08 0.00 0.00 0.00 178.15 178.95 1s51 h GLU 204 N 0.86 0.92 -0.35 2.37 4.81 0.51 -1.92 114.58 121.78 1s51 h GLU 204 Ca 0.16 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 1s51 h GLU 204 Cb 0.54 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1s51 h GLU 204 CO 0.03 0.61 -0.37 1.15 -0.73 0.00 0.00 179.01 179.70 1s51 h THR 205 N 0.94 1.28 -0.67 0.32 2.02 0.45 -2.28 112.91 114.97 1s51 h THR 205 Ca 0.27 -1.53 0.03 0.00 0.77 0.00 0.00 66.41 65.95 1s51 h THR 205 Cb -0.05 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1s51 h THR 205 CO -0.07 0.51 0.42 0.25 0.37 0.00 0.00 175.52 177.00 1s51 h LEU 206 N 0.68 0.69 -0.09 2.58 5.85 -0.90 -0.02 115.31 124.09 1s51 h LEU 206 Ca 0.06 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1s51 h LEU 206 Cb 0.93 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1s51 h LEU 206 CO 0.09 0.48 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.59 1s51 h LEU 207 N 0.82 0.16 -1.03 2.25 3.38 -1.29 -1.98 115.31 117.63 1s51 h LEU 207 Ca 0.27 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1s51 h LEU 207 Cb 0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1s51 h LEU 207 CO -0.10 0.44 0.58 -0.26 0.09 0.00 0.00 178.44 179.19 1s51 h PHE 208 N -0.12 1.20 -0.59 1.13 0.04 -1.30 -0.89 116.94 116.42 1s51 h PHE 208 Ca 0.03 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1s51 h PHE 208 Cb 0.36 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1s51 h PHE 208 CO 0.03 0.78 0.18 1.98 -0.60 0.00 0.00 178.31 180.69 1s51 h MET 209 N 1.27 0.91 -0.59 1.51 1.85 -0.89 0.19 114.93 119.19 1s51 h MET 209 Ca 0.34 -0.20 -0.10 0.00 -0.61 0.00 0.00 59.70 59.13 1s51 h MET 209 Cb -0.09 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.78 1s51 h MET 209 CO -0.07 0.82 -0.03 0.28 -0.40 0.00 0.00 176.91 177.52 1s51 h VAL 210 N 0.83 1.27 -0.26 -5.77 2.07 -1.07 -1.38 116.25 111.95 1s51 h VAL 210 Ca 0.19 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.42 1s51 h VAL 210 Cb 0.29 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1s51 h VAL 210 CO -0.01 0.43 -0.25 -0.07 0.02 0.00 0.00 177.57 177.69 1s51 h LEU 211 N 0.96 0.66 -0.19 2.57 3.38 -0.94 -2.20 115.31 119.56 1s51 h LEU 211 Ca 0.17 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1s51 h LEU 211 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1s51 h LEU 211 CO 0.04 1.00 0.07 0.44 0.09 0.00 0.00 178.44 180.08 1s51 h ASP 212 N 0.34 0.26 -0.21 -0.43 3.32 -0.53 -0.15 116.42 119.01 1s51 h ASP 212 Ca 0.04 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1s51 h ASP 212 Cb 0.81 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1s51 h ASP 212 CO 0.06 0.36 0.06 0.58 -1.72 0.00 0.00 179.24 178.58 1s51 h VAL 213 N 0.14 1.19 -0.53 -1.35 2.07 -1.34 -1.66 116.25 114.78 1s51 h VAL 213 Ca 0.06 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1s51 h VAL 213 Cb 0.18 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1s51 h VAL 213 CO -0.00 0.19 0.33 0.28 0.02 0.00 0.00 177.57 178.39 1s51 h SER 214 N 0.17 0.54 1.12 0.57 0.02 -1.33 0.15 113.55 114.79 1s51 h SER 214 Ca 0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1s51 h SER 214 Cb 0.24 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1s51 h SER 214 CO -0.00 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 1s51 h ALA 215 N 1.23 1.00 0.00 3.77 0.00 -0.88 -1.13 119.26 123.25 1s51 h ALA 215 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1s51 h ALA 215 Cb -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1s51 h ALA 215 CO -0.08 0.00 -0.68 1.63 0.00 0.00 0.00 179.25 180.12 1s51 n LYS 216 N -2.88 0.29 0.09 0.00 5.02 -0.64 -4.29 118.16 115.76 1s51 n LYS 216 Ca 0.02 0.12 -0.17 0.00 -2.02 0.00 0.00 58.31 56.25 1s51 n LYS 216 Cb 0.33 -1.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.19 1s51 n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s51 h VAL 217 N -0.54 1.32 0.16 -0.18 2.07 -0.92 0.10 116.25 118.27 1s51 h VAL 217 Ca -0.04 -2.90 -0.01 0.00 0.82 0.00 0.00 66.70 64.57 1s51 h VAL 217 Cb 0.62 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1s51 h VAL 217 CO -0.02 0.85 -0.08 1.23 0.02 0.00 0.00 177.57 179.57 1s51 h GLY 218 N 1.45 -0.22 0.95 2.17 0.00 -0.76 -1.20 103.07 105.46 1s51 h GLY 218 Ca -0.20 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1s51 h GLY 218 CO 0.19 -0.08 0.13 -2.75 0.00 0.00 0.00 176.54 174.04 1s51 h PHE 219 N -0.36 0.25 -0.37 5.60 3.04 -1.31 -2.85 116.94 120.94 1s51 h PHE 219 Ca -0.02 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.97 1s51 h PHE 219 Cb 0.28 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 1s51 h PHE 219 CO -0.02 0.15 0.18 0.78 -2.02 0.00 0.00 178.31 177.37 1s51 h GLY 220 N 0.28 0.50 0.64 2.40 0.00 -0.68 -0.88 103.07 105.33 1s51 h GLY 220 Ca 0.09 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.36 1s51 h GLY 220 CO -0.04 0.08 0.35 1.41 0.00 0.00 0.00 176.54 178.34 1s51 h LEU 221 N 0.36 0.50 -0.05 3.11 3.38 -1.16 0.27 115.31 121.72 1s51 h LEU 221 Ca 0.16 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1s51 h LEU 221 Cb 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1s51 h LEU 221 CO -0.12 0.32 0.01 0.40 0.09 0.00 0.00 178.44 179.14 1s51 h ILE 222 N 0.64 1.18 -0.13 1.22 2.04 -1.29 -2.22 117.51 118.94 1s51 h ILE 222 Ca 0.30 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1s51 h ILE 222 Cb 0.22 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1s51 h ILE 222 CO -0.20 0.15 -0.01 0.25 0.00 0.00 0.00 178.15 178.33 1s51 h LEU 223 N -0.13 0.24 -0.75 1.44 5.85 -0.79 -3.23 115.31 117.95 1s51 h LEU 223 Ca 0.02 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1s51 h LEU 223 Cb 0.22 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1s51 h LEU 223 CO -0.00 0.52 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.41 1s51 h LEU 224 N -0.04 0.00 -0.86 2.25 3.38 -0.52 -2.55 115.31 116.96 1s51 h LEU 224 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1s51 h LEU 224 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1s51 h LEU 224 CO 0.01 0.14 0.00 -2.11 0.09 0.00 0.00 178.44 176.57 1s51 n ARG 225 N -3.21 1.57 -3.54 1.13 1.85 -0.84 -4.88 116.66 108.75 1s51 n ARG 225 Ca 0.02 -0.85 -0.24 0.00 -1.00 0.00 0.00 57.85 55.78 1s51 n ARG 225 Cb 0.47 -1.39 -0.02 0.00 -1.05 0.00 0.00 32.46 30.47 1s51 n ARG 225 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1s51 s SER 226 N -1.64 6.32 0.08 2.89 1.04 -0.96 -5.00 113.70 116.41 1s51 s SER 226 Ca 0.33 0.38 0.25 0.00 0.48 0.00 0.00 55.95 57.38 1s51 s SER 226 Cb 0.17 -2.00 0.47 0.00 0.10 0.00 0.00 66.02 64.77 1s51 s SER 226 CO 0.27 -0.22 1.41 -2.11 0.98 0.00 0.00 173.24 173.57 1s51 n ARG 227 N -1.55 0.18 0.31 4.02 1.85 -1.26 -4.06 116.66 116.15 1s51 n ARG 227 Ca -0.06 0.06 0.21 0.00 -1.00 0.00 0.00 57.85 57.06 1s51 n ARG 227 Cb 0.56 -1.62 1.04 0.00 -1.05 0.00 0.00 32.46 31.39 1s51 n ARG 227 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s51 h ALA 228 N 2.69 1.00 0.00 2.89 0.00 -1.89 -2.65 119.26 121.30 1s51 h ALA 228 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s51 h ALA 228 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1s51 h ALA 228 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 179.25 178.41 1s51 h ILE 229 N 0.00 0.00 -3.74 0.00 3.07 -1.85 -3.46 117.51 111.53 1s51 h ILE 229 Ca 0.00 -0.48 -0.51 0.00 1.55 0.00 0.00 64.86 65.43 1s51 h ILE 229 Cb 0.14 1.39 0.01 0.00 -0.27 0.00 0.00 36.82 38.09 1s51 h ILE 229 CO 0.00 0.00 0.47 -0.36 -1.05 0.00 0.00 178.15 177.21 1s51 s PHE 230 N -3.27 3.62 -1.94 0.16 0.40 -1.00 -2.61 117.98 113.33 1s51 s PHE 230 Ca 0.07 1.69 0.00 0.00 -0.60 0.00 0.00 56.93 58.09 1s51 s PHE 230 Cb 0.10 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.37 1s51 s PHE 230 CO 0.53 -0.48 0.48 0.41 0.70 0.00 0.00 175.22 176.87