#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfl s LEU 2 N 0.00 3.97 0.58 6.55 1.43 -1.26 -5.02 118.68 124.93 1lfl s LEU 2 Ca 0.00 1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 54.22 1lfl s LEU 2 Cb 0.00 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1lfl s LEU 2 CO 0.00 -0.93 1.03 -0.94 0.23 0.00 0.00 176.35 175.74 1lfl s SER 3 N 2.20 6.02 0.50 2.29 1.04 -1.26 -4.83 113.70 119.66 1lfl s SER 3 Ca 0.52 1.71 0.28 0.00 0.48 0.00 0.00 55.95 58.93 1lfl s SER 3 Cb -0.16 -2.52 1.37 0.00 0.10 0.00 0.00 66.02 64.81 1lfl s SER 3 CO 0.18 -1.00 1.88 -0.65 0.98 0.00 0.00 173.24 174.63 1lfl h PRO 4 N 0.46 0.11 -0.22 4.02 0.11 -2.00 0.41 132.00 134.89 1lfl h PRO 4 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1lfl h PRO 4 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1lfl h PRO 4 CO 0.59 0.07 0.03 0.00 -0.21 0.00 0.00 178.00 178.48 1lfl h ALA 5 N 1.57 0.29 -0.33 -0.75 0.00 -1.99 -1.46 119.26 116.60 1lfl h ALA 5 Ca 0.44 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1lfl h ALA 5 Cb 1.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1lfl h ALA 5 CO -0.06 -0.02 0.15 -0.44 0.00 0.00 0.00 179.25 178.88 1lfl h ASP 6 N 0.16 0.20 -0.18 0.00 3.32 -0.57 -0.19 116.42 119.16 1lfl h ASP 6 Ca 0.07 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.19 1lfl h ASP 6 Cb 0.34 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1lfl h ASP 6 CO 0.01 0.16 -0.14 0.11 -1.72 0.00 0.00 179.24 177.65 1lfl h LYS 7 N 0.31 -0.14 -0.49 3.56 1.57 -1.10 0.24 116.57 120.53 1lfl h LYS 7 Ca 0.14 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 1lfl h LYS 7 Cb 0.07 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1lfl h LYS 7 CO -0.11 -0.09 0.20 1.15 -0.57 0.00 0.00 179.45 180.02 1lfl h THR 8 N -0.14 0.87 -0.96 -0.16 2.02 -0.87 0.42 112.91 114.08 1lfl h THR 8 Ca 0.11 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1lfl h THR 8 Cb 0.31 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1lfl h THR 8 CO -0.27 0.07 0.63 0.78 0.37 0.00 0.00 175.52 177.10 1lfl h ASN 9 N 0.39 1.07 0.63 4.18 4.21 -0.04 0.15 115.58 126.17 1lfl h ASN 9 Ca 0.23 -0.02 -0.23 0.00 1.21 0.00 0.00 56.30 57.50 1lfl h ASN 9 Cb 0.22 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 1lfl h ASN 9 CO -0.22 0.75 -1.02 1.62 -1.29 0.00 0.00 177.43 177.28 1lfl h VAL 10 N 1.25 1.52 0.62 2.81 3.04 -0.60 -0.03 116.25 124.87 1lfl h VAL 10 Ca 0.37 -2.86 -0.03 0.00 -1.01 0.00 0.00 66.70 63.17 1lfl h VAL 10 Cb -0.06 2.67 0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1lfl h VAL 10 CO -0.10 0.83 -0.30 0.11 -1.01 0.00 0.00 177.57 177.10 1lfl h LYS 11 N 0.10 -0.81 0.17 4.17 1.57 -0.34 0.54 116.57 121.98 1lfl h LYS 11 Ca -0.07 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1lfl h LYS 11 Cb 1.70 0.18 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1lfl h LYS 11 CO 0.16 -0.49 -0.08 0.00 -0.57 0.00 0.00 179.45 178.46 1lfl h ALA 12 N -0.71 -0.23 -0.51 3.86 0.00 -0.81 0.52 119.26 121.38 1lfl h ALA 12 Ca -0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1lfl h ALA 12 Cb 0.68 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1lfl h ALA 12 CO 0.14 -0.62 0.28 0.00 0.00 0.00 0.00 179.25 179.06 1lfl h ALA 13 N 0.56 0.65 -0.32 0.00 0.00 -0.98 -1.69 119.26 117.48 1lfl h ALA 13 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1lfl h ALA 13 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lfl h ALA 13 CO 0.04 -0.04 -0.38 2.35 0.00 0.00 0.00 179.25 181.23 1lfl h TRP 14 N 0.56 1.00 0.00 0.00 2.91 0.22 -2.58 115.95 118.06 1lfl h TRP 14 Ca 0.21 -0.31 -0.01 0.00 1.13 0.00 0.00 58.89 59.91 1lfl h TRP 14 Cb 0.07 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 28.52 1lfl h TRP 14 CO -0.08 1.11 -0.05 0.78 -1.03 0.00 0.00 178.44 179.17 1lfl h GLY 15 N 0.60 0.00 2.00 2.65 0.00 -0.69 0.88 103.07 108.51 1lfl h GLY 15 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1lfl h GLY 15 CO 0.09 0.00 -0.05 1.70 0.00 0.00 0.00 176.54 178.28 1lfl h LYS 16 N 0.00 0.00 -0.03 4.80 1.63 -0.89 -2.20 116.57 119.88 1lfl h LYS 16 Ca -0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1lfl h LYS 16 Cb 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1lfl h LYS 16 CO 0.01 0.05 -0.27 0.28 -3.45 0.00 0.00 179.45 176.06 1lfl h VAL 17 N 0.00 1.49 0.00 2.00 2.07 -0.82 -3.48 116.25 117.51 1lfl h VAL 17 Ca -0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1lfl h VAL 17 Cb 0.41 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1lfl h VAL 17 CO 0.01 0.51 0.00 0.61 0.02 0.00 0.00 177.57 178.72 1lfl n GLY 18 N 0.88 2.96 1.05 2.17 0.00 -0.83 -2.34 105.19 109.08 1lfl n GLY 18 Ca -0.09 0.26 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1lfl n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfl n ALA 19 N 11.54 2.86 0.76 4.61 0.00 -1.26 -3.87 120.51 135.16 1lfl n ALA 19 Ca 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 53.44 52.59 1lfl n ALA 19 Cb 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.47 1lfl n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 20 N 0.58 0.00 -0.34 0.00 8.25 -0.99 -4.63 115.22 118.09 1lfl n HIS 20 Ca 0.15 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 1lfl n HIS 20 Cb 0.58 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.71 1lfl n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lfl n ALA 21 N 0.41 -0.17 -0.31 -1.41 0.00 -1.25 -0.36 120.51 117.43 1lfl n ALA 21 Ca 0.09 0.85 -0.05 0.00 0.00 0.00 0.00 53.44 54.33 1lfl n ALA 21 Cb 0.41 -0.35 0.08 0.00 0.00 0.00 0.00 19.45 19.58 1lfl n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1lfl h GLY 22 N 0.00 1.27 1.45 0.00 0.00 -1.83 0.53 103.07 104.49 1lfl h GLY 22 Ca 0.28 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 1lfl h GLY 22 CO -0.86 0.58 -0.43 -2.09 0.00 0.00 0.00 176.54 173.73 1lfl h GLU 23 N 1.18 0.60 0.01 4.80 4.81 -1.01 -1.81 114.58 123.16 1lfl h GLU 23 Ca 0.29 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1lfl h GLU 23 Cb 0.07 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1lfl h GLU 23 CO -0.04 0.92 -0.00 1.88 -0.73 0.00 0.00 179.01 181.03 1lfl h TYR 24 N 0.48 -0.01 -0.72 0.92 0.99 -0.59 -2.40 116.97 115.64 1lfl h TYR 24 Ca 0.04 -0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.94 1lfl h TYR 24 Cb 0.95 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 38.65 1lfl h TYR 24 CO 0.04 0.58 0.50 0.78 -0.00 0.00 0.00 178.16 180.06 1lfl h GLY 25 N -0.62 0.34 1.92 3.88 0.00 0.06 0.50 103.07 109.14 1lfl h GLY 25 Ca -0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 1lfl h GLY 25 CO 0.00 0.02 -0.61 0.00 0.00 0.00 0.00 176.54 175.95 1lfl h ALA 26 N 1.66 0.94 0.07 3.60 0.00 -1.20 -2.94 119.26 121.38 1lfl h ALA 26 Ca 0.35 -0.55 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 1lfl h ALA 26 Cb 1.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1lfl h ALA 26 CO -0.06 0.75 -1.41 1.49 0.00 0.00 0.00 179.25 180.02 1lfl h GLU 27 N 0.06 0.14 0.06 0.00 4.81 0.28 -3.02 114.58 116.92 1lfl h GLU 27 Ca -0.01 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1lfl h GLU 27 Cb 1.09 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1lfl h GLU 27 CO 0.08 0.98 -0.07 0.00 -0.73 0.00 0.00 179.01 179.28 1lfl h ALA 28 N 0.71 -0.12 -0.48 2.92 0.00 -0.33 -0.48 119.26 121.47 1lfl h ALA 28 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1lfl h ALA 28 Cb 1.95 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 1lfl h ALA 28 CO 0.14 -0.58 0.31 -0.07 0.00 0.00 0.00 179.25 179.05 1lfl h LEU 29 N -0.15 0.57 -0.94 0.00 3.38 -1.64 0.10 115.31 116.63 1lfl h LEU 29 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1lfl h LEU 29 Cb 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1lfl h LEU 29 CO -0.02 0.43 0.54 -0.08 0.09 0.00 0.00 178.44 179.40 1lfl h GLU 30 N 0.65 1.27 -0.34 1.13 4.81 -1.37 0.47 114.58 121.20 1lfl h GLU 30 Ca 0.17 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1lfl h GLU 30 Cb -0.04 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 1lfl h GLU 30 CO -0.04 0.91 0.11 0.00 -0.73 0.00 0.00 179.01 179.27 1lfl h ARG 31 N 1.29 0.53 0.54 1.92 3.08 -0.69 -1.43 114.38 119.62 1lfl h ARG 31 Ca 0.33 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1lfl h ARG 31 Cb -0.02 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1lfl h ARG 31 CO -0.06 0.55 -0.32 1.98 -1.07 0.00 0.00 179.97 181.05 1lfl h MET 32 N 0.41 -0.77 -1.06 0.04 4.05 0.33 -0.94 114.93 117.00 1lfl h MET 32 Ca 0.11 0.05 0.29 0.00 -0.28 0.00 0.00 59.70 59.88 1lfl h MET 32 Cb 0.24 0.17 -0.12 0.00 -0.80 0.00 0.00 31.60 31.09 1lfl h MET 32 CO -0.00 -0.51 0.65 0.74 0.23 0.00 0.00 176.91 178.01 1lfl h PHE 33 N -0.80 0.81 0.12 1.39 0.04 -0.07 0.51 116.94 118.94 1lfl h PHE 33 Ca -0.07 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1lfl h PHE 33 Cb 0.63 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1lfl h PHE 33 CO -0.01 -0.03 -0.06 -0.07 -0.60 0.00 0.00 178.31 177.54 1lfl h LEU 34 N 0.39 -0.14 -0.40 1.54 3.38 -1.03 -3.22 115.31 115.84 1lfl h LEU 34 Ca 0.67 -0.42 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 1lfl h LEU 34 Cb 1.60 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 1lfl h LEU 34 CO -0.43 0.42 -0.79 0.28 0.09 0.00 0.00 178.44 178.01 1lfl h SER 35 N -0.77 0.00 -2.21 -0.43 0.02 -0.60 -3.37 113.55 106.19 1lfl h SER 35 Ca -0.02 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.34 1lfl h SER 35 Cb 0.55 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.67 1lfl h SER 35 CO 0.03 0.79 -0.66 0.49 -1.14 0.00 0.00 176.83 176.33 1lfl n PHE 36 N -3.57 3.43 -0.26 3.45 0.99 0.17 -4.99 117.46 116.68 1lfl n PHE 36 Ca -0.01 -4.06 -0.07 0.00 -0.00 0.00 0.00 57.45 53.32 1lfl n PHE 36 Cb 0.77 -0.52 -0.06 0.00 -1.00 0.00 0.00 39.48 38.67 1lfl n PHE 36 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1lfl n PRO 37 N 0.48 -0.28 0.17 -1.08 -0.02 -1.21 -0.86 135.00 132.20 1lfl n PRO 37 Ca 0.30 1.04 0.02 0.00 -2.02 0.00 0.00 63.50 62.83 1lfl n PRO 37 Cb 0.42 -1.53 0.08 0.00 -0.02 0.00 0.00 33.50 32.45 1lfl n PRO 37 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1lfl h THR 38 N 0.00 0.00 0.00 3.45 1.35 -1.94 1.98 112.91 117.75 1lfl h THR 38 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1lfl h THR 38 Cb 0.26 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1lfl h THR 38 CO -0.59 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.39 1lfl h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.35 -2.90 112.91 116.83 1lfl h THR 39 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1lfl h THR 39 Cb 1.33 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1lfl h THR 39 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1lfl n LYS 40 N -2.48 0.13 0.28 4.72 5.02 0.67 -2.43 118.16 124.08 1lfl n LYS 40 Ca 0.04 0.34 0.17 0.00 -2.02 0.00 0.00 58.31 56.84 1lfl n LYS 40 Cb 0.41 -1.73 0.79 0.00 -0.02 0.00 0.00 35.03 34.48 1lfl n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1lfl h THR 41 N 0.00 0.17 -0.01 -0.18 1.35 -1.67 -1.06 112.91 111.52 1lfl h THR 41 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1lfl h THR 41 Cb 0.35 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1lfl h THR 41 CO 0.00 0.05 -0.10 -1.22 -0.25 0.00 0.00 175.52 174.00 1lfl n TYR 42 N -3.23 0.00 -2.95 4.73 4.01 -1.02 -4.21 117.16 114.50 1lfl n TYR 42 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 1lfl n TYR 42 Cb 0.25 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 1lfl n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lfl n PHE 43 N -0.45 1.53 0.25 -0.72 3.01 -0.40 -4.89 117.46 115.79 1lfl n PHE 43 Ca 0.16 -3.55 0.14 0.00 1.01 0.00 0.00 57.45 55.21 1lfl n PHE 43 Cb 0.31 -0.39 0.45 0.00 -0.01 0.00 0.00 39.48 39.84 1lfl n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lfl h PRO 44 N 2.95 0.00 -0.54 -1.08 0.13 -1.72 -2.99 132.00 128.75 1lfl h PRO 44 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1lfl h PRO 44 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1lfl h PRO 44 CO 0.60 0.04 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 1lfl n HIS 45 N -3.13 0.81 -4.11 1.56 1.44 -1.26 -4.95 115.22 105.58 1lfl n HIS 45 Ca 0.02 -0.37 -0.23 0.00 -2.01 0.00 0.00 57.72 55.14 1lfl n HIS 45 Cb 0.42 -0.07 -0.06 0.00 0.12 0.00 0.00 29.99 30.39 1lfl n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1lfl s PHE 46 N -1.49 2.74 -0.31 -1.40 2.99 -1.13 -5.10 117.98 114.29 1lfl s PHE 46 Ca 0.34 -0.33 -0.14 0.00 0.00 0.00 0.00 56.93 56.80 1lfl s PHE 46 Cb 0.19 -1.56 -0.03 0.00 0.00 0.00 0.00 43.02 41.63 1lfl s PHE 46 CO 0.21 0.39 0.33 0.34 -0.00 0.00 0.00 175.22 176.48 1lfl s ASP 47 N -3.83 6.17 -0.24 1.36 2.15 -1.26 -4.97 116.67 116.04 1lfl s ASP 47 Ca 0.37 -0.04 0.13 0.00 0.43 0.00 0.00 52.55 53.43 1lfl s ASP 47 Cb -0.04 -2.18 0.53 0.00 -0.30 0.00 0.00 42.92 40.93 1lfl s ASP 47 CO 0.23 -0.23 1.47 0.18 -0.17 0.00 0.00 175.17 176.64 1lfl n LEU 48 N 5.29 4.14 -4.91 -1.34 4.77 -1.26 -4.56 117.00 119.14 1lfl n LEU 48 Ca -0.10 -3.38 -0.27 0.00 -0.03 0.00 0.00 56.01 52.22 1lfl n LEU 48 Cb 0.50 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1lfl n LEU 48 CO 0.38 0.95 0.55 -0.94 -1.33 0.00 0.00 177.39 177.00 1lfl s SER 49 N -2.17 5.69 0.11 -1.43 1.04 -1.26 -4.99 113.70 110.68 1lfl s SER 49 Ca 0.44 0.80 -0.31 0.00 0.48 0.00 0.00 55.95 57.36 1lfl s SER 49 Cb 0.38 -1.82 -0.09 0.00 0.10 0.00 0.00 66.02 64.59 1lfl s SER 49 CO 0.05 -1.02 1.58 -2.28 0.98 0.00 0.00 173.24 172.55 1lfl s HIS 50 N -3.00 2.76 0.00 5.02 2.46 -1.26 -2.40 115.29 118.88 1lfl s HIS 50 Ca 0.53 0.52 0.00 0.00 0.47 0.00 0.00 55.06 56.58 1lfl s HIS 50 Cb -0.11 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.44 1lfl s HIS 50 CO 0.46 -3.49 0.00 0.41 -2.47 0.00 0.00 174.74 169.65 1lfl n GLY 51 N 3.84 2.44 3.22 1.59 0.00 -1.26 -5.05 105.19 109.97 1lfl n GLY 51 Ca 0.15 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.64 1lfl n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lfl n SER 52 N 0.00 -0.24 0.09 1.61 2.88 -1.01 -4.84 113.62 112.11 1lfl n SER 52 Ca 0.00 1.07 -0.06 0.00 -1.33 0.00 0.00 58.87 58.54 1lfl n SER 52 Cb 0.00 -0.86 0.05 0.00 -0.75 0.00 0.00 64.21 62.66 1lfl n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lfl h ALA 53 N 2.41 0.68 -0.96 -1.46 0.00 -1.92 -2.65 119.26 115.35 1lfl h ALA 53 Ca -0.43 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 53.85 1lfl h ALA 53 Cb 1.33 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1lfl h ALA 53 CO 0.59 0.85 0.64 1.96 0.00 0.00 0.00 179.25 183.28 1lfl h GLN 54 N 0.11 1.24 0.24 0.00 4.20 -1.88 0.72 115.11 119.74 1lfl h GLN 54 Ca -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1lfl h GLN 54 Cb 1.33 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1lfl h GLN 54 CO 0.11 0.82 -0.11 0.28 -0.67 0.00 0.00 178.83 179.26 1lfl h VAL 55 N 1.28 0.80 -0.96 -0.54 2.07 -1.77 -0.12 116.25 117.01 1lfl h VAL 55 Ca 0.36 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 67.28 1lfl h VAL 55 Cb -0.11 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 1lfl h VAL 55 CO -0.09 0.15 0.61 0.11 0.02 0.00 0.00 177.57 178.37 1lfl h LYS 56 N -0.73 0.78 0.00 1.57 1.57 -1.11 2.81 116.57 121.46 1lfl h LYS 56 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1lfl h LYS 56 Cb 0.49 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1lfl h LYS 56 CO 0.05 0.52 0.00 0.41 -0.57 0.00 0.00 179.45 179.86 1lfl n GLY 57 N -1.39 -2.27 0.37 3.86 0.00 0.25 -0.51 105.19 105.50 1lfl n GLY 57 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1lfl n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1lfl h HIS 58 N 0.00 0.66 -0.95 1.61 -0.00 -0.78 0.19 115.15 115.88 1lfl h HIS 58 Ca 0.00 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1lfl h HIS 58 Cb 0.00 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.14 1lfl h HIS 58 CO 0.15 0.27 0.61 0.78 -0.00 0.00 0.00 177.93 179.74 1lfl h GLY 59 N 0.58 1.41 2.00 5.26 0.00 0.51 -1.09 103.07 111.73 1lfl h GLY 59 Ca 0.38 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1lfl h GLY 59 CO -0.14 0.35 0.00 1.70 0.00 0.00 0.00 176.54 178.45 1lfl h LYS 60 N 1.14 0.00 0.00 4.80 3.64 0.20 -2.91 116.57 123.45 1lfl h LYS 60 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1lfl h LYS 60 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1lfl h LYS 60 CO -0.15 0.00 -0.94 0.36 -2.27 0.00 0.00 179.45 176.45 1lfl n LYS 61 N -3.08 0.32 0.07 1.90 2.85 -0.49 -3.04 118.16 116.70 1lfl n LYS 61 Ca 0.01 0.02 -0.09 0.00 -1.05 0.00 0.00 58.31 57.20 1lfl n LYS 61 Cb 0.32 -1.63 0.01 0.00 -0.65 0.00 0.00 35.03 33.08 1lfl n LYS 61 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1lfl h VAL 62 N 0.00 1.43 0.41 0.58 2.07 -1.15 -2.57 116.25 117.02 1lfl h VAL 62 Ca 0.00 -2.38 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 1lfl h VAL 62 Cb 0.76 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1lfl h VAL 62 CO 0.00 0.70 -0.20 0.00 0.02 0.00 0.00 177.57 178.10 1lfl h ALA 63 N 0.95 -0.55 -1.40 1.67 0.00 -1.64 -1.25 119.26 117.03 1lfl h ALA 63 Ca -0.04 -0.18 0.41 0.00 0.00 0.00 0.00 54.91 55.10 1lfl h ALA 63 Cb 1.42 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 1lfl h ALA 63 CO 0.13 -0.57 0.99 -0.44 0.00 0.00 0.00 179.25 179.37 1lfl h ASP 64 N -1.02 0.05 0.54 0.00 3.32 -1.60 1.40 116.42 119.11 1lfl h ASP 64 Ca -0.06 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1lfl h ASP 64 Cb 0.53 0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.10 1lfl h ASP 64 CO 0.09 -0.01 -0.26 0.00 -1.72 0.00 0.00 179.24 177.34 1lfl h ALA 65 N 1.33 -0.72 -0.78 3.45 0.00 -1.14 -2.48 119.26 118.92 1lfl h ALA 65 Ca 0.69 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.44 1lfl h ALA 65 Cb 2.64 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 20.66 1lfl h ALA 65 CO -0.06 -0.75 0.49 -0.07 0.00 0.00 0.00 179.25 178.86 1lfl h LEU 66 N -1.04 0.82 -0.04 0.00 3.38 0.27 -1.49 115.31 117.21 1lfl h LEU 66 Ca -0.07 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1lfl h LEU 66 Cb 0.63 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1lfl h LEU 66 CO 0.12 0.56 -0.10 0.74 0.09 0.00 0.00 178.44 179.85 1lfl h THR 67 N 0.96 0.73 -0.87 0.22 2.02 0.20 0.86 112.91 117.04 1lfl h THR 67 Ca 0.31 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.57 1lfl h THR 67 Cb 0.01 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1lfl h THR 67 CO -0.11 0.00 0.53 -1.13 0.37 0.00 0.00 175.52 175.17 1lfl h ASN 68 N -0.15 0.80 -0.71 4.18 -1.24 -1.14 0.18 115.58 117.48 1lfl h ASN 68 Ca 0.05 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.13 1lfl h ASN 68 Cb 0.22 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.10 1lfl h ASN 68 CO -0.13 0.48 0.44 0.00 -1.29 0.00 0.00 177.43 176.92 1lfl h ALA 69 N 1.44 0.94 0.07 1.57 0.00 -0.06 -2.17 119.26 121.05 1lfl h ALA 69 Ca 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1lfl h ALA 69 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1lfl h ALA 69 CO -0.21 0.19 -0.03 0.28 0.00 0.00 0.00 179.25 179.48 1lfl h VAL 70 N 0.84 1.21 0.00 0.00 2.07 -0.00 -2.31 116.25 118.05 1lfl h VAL 70 Ca 0.29 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1lfl h VAL 70 Cb 0.06 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1lfl h VAL 70 CO -0.13 0.25 0.36 0.00 0.02 0.00 0.00 177.57 178.07 1lfl n ALA 71 N -2.37 0.54 -2.66 1.67 0.00 -0.03 0.05 120.51 117.70 1lfl n ALA 71 Ca -0.08 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1lfl n ALA 71 Cb 0.24 -0.68 0.05 0.00 0.00 0.00 0.00 19.45 19.06 1lfl n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 72 N -2.02 1.11 0.00 0.00 8.25 -0.85 -4.90 115.22 116.81 1lfl n HIS 72 Ca -0.01 -1.80 0.00 0.00 -0.26 0.00 0.00 57.72 55.65 1lfl n HIS 72 Cb 0.38 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1lfl n HIS 72 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1lfl n VAL 73 N -0.40 0.81 0.09 1.59 3.14 0.11 0.13 118.33 123.80 1lfl n VAL 73 Ca 0.11 0.33 0.04 0.00 -2.96 0.00 0.00 64.34 61.86 1lfl n VAL 73 Cb 0.88 -1.33 0.08 0.00 -1.06 0.00 0.00 33.84 32.42 1lfl n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1lfl n ASP 74 N -1.14 2.30 -1.60 6.55 8.00 -1.26 -4.51 116.55 124.89 1lfl n ASP 74 Ca 0.00 -1.72 0.01 0.00 0.71 0.00 0.00 54.79 53.78 1lfl n ASP 74 Cb 0.13 -0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1lfl n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1lfl n ASP 75 N 0.40 0.47 -0.11 -2.24 4.64 0.35 -4.97 116.55 115.09 1lfl n ASP 75 Ca 0.07 -2.01 -0.05 0.00 -1.38 0.00 0.00 54.79 51.42 1lfl n ASP 75 Cb 0.32 -0.13 0.01 0.00 -1.04 0.00 0.00 41.12 40.28 1lfl n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1lfl h MET 76 N 0.95 0.05 0.00 -0.67 2.86 -1.56 0.78 114.93 117.35 1lfl h MET 76 Ca -0.31 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1lfl h MET 76 Cb 1.68 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.32 1lfl h MET 76 CO 0.00 0.04 0.00 -0.35 1.06 0.00 0.00 176.91 177.66 1lfl n PRO 77 N -5.23 0.11 -0.10 -0.22 -0.04 -1.26 -1.97 135.00 126.29 1lfl n PRO 77 Ca 0.02 0.52 -0.11 0.00 -0.04 0.00 0.00 63.50 63.88 1lfl n PRO 77 Cb 0.20 -1.80 -0.14 0.00 -0.04 0.00 0.00 33.50 31.72 1lfl n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lfl n ASN 78 N -2.02 0.74 -0.05 3.54 5.03 -0.42 -4.00 115.26 118.08 1lfl n ASN 78 Ca 0.00 -0.04 0.14 0.00 0.87 0.00 0.00 54.58 55.56 1lfl n ASN 78 Cb 0.09 0.61 0.60 0.00 -1.02 0.00 0.00 39.78 40.06 1lfl n ASN 78 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lfl n ALA 79 N -2.85 2.70 -0.06 5.41 0.00 0.14 -3.87 120.51 121.98 1lfl n ALA 79 Ca -0.35 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1lfl n ALA 79 Cb 1.08 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1lfl n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1lfl n LEU 80 N -1.20 1.19 -0.33 0.00 4.77 -0.83 -4.80 117.00 115.80 1lfl n LEU 80 Ca 0.12 -1.19 0.23 0.00 -0.03 0.00 0.00 56.01 55.14 1lfl n LEU 80 Cb 0.29 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.82 1lfl n LEU 80 CO 0.26 0.30 0.98 0.77 -1.33 0.00 0.00 177.39 178.37 1lfl h SER 81 N 0.00 0.10 0.32 -1.43 4.64 -1.69 0.97 113.55 116.45 1lfl h SER 81 Ca 0.00 0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 1lfl h SER 81 Cb 0.16 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1lfl h SER 81 CO 0.00 -0.32 -0.23 0.00 -0.87 0.00 0.00 176.83 175.41 1lfl h ALA 82 N 1.94 1.46 0.13 5.18 0.00 -1.89 -1.17 119.26 124.91 1lfl h ALA 82 Ca 0.72 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 55.09 1lfl h ALA 82 Cb 1.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1lfl h ALA 82 CO -0.77 0.28 -1.72 -0.07 0.00 0.00 0.00 179.25 176.97 1lfl h LEU 83 N 0.00 0.42 -0.54 0.00 3.38 0.40 -2.47 115.31 116.49 1lfl h LEU 83 Ca -0.00 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.36 1lfl h LEU 83 Cb 0.45 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1lfl h LEU 83 CO 0.03 1.59 0.19 -1.28 0.09 0.00 0.00 178.44 179.06 1lfl h SER 84 N 0.07 0.18 0.40 -0.43 0.87 -0.14 -1.89 113.55 112.62 1lfl h SER 84 Ca -0.32 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 1lfl h SER 84 Cb 2.04 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 1lfl h SER 84 CO 0.14 0.12 -0.19 0.44 -0.53 0.00 0.00 176.83 176.81 1lfl h ASP 85 N 0.37 -0.46 -0.98 6.23 3.32 -1.32 -2.63 116.42 120.95 1lfl h ASP 85 Ca 0.27 0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.50 1lfl h ASP 85 Cb 0.31 0.12 -0.17 0.00 0.22 0.00 0.00 39.33 39.81 1lfl h ASP 85 CO -0.28 -0.22 -0.32 -0.11 -1.72 0.00 0.00 179.24 176.60 1lfl n LEU 86 N -4.08 -0.51 -0.19 1.55 7.94 -0.93 -0.54 117.00 120.25 1lfl n LEU 86 Ca -0.07 1.70 -0.10 0.00 -1.11 0.00 0.00 56.01 56.43 1lfl n LEU 86 Cb 0.21 -0.45 0.02 0.00 0.53 0.00 0.00 43.42 43.73 1lfl n LEU 86 CO 0.16 -1.57 0.75 0.45 -1.11 0.00 0.00 177.39 176.07 1lfl h HIS 87 N 0.00 1.17 0.11 1.96 3.86 -1.44 0.25 115.15 121.06 1lfl h HIS 87 Ca 0.40 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1lfl h HIS 87 Cb 0.65 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1lfl h HIS 87 CO -0.81 1.07 -0.05 0.00 0.86 0.00 0.00 177.93 179.00 1lfl h ALA 88 N 0.94 -0.48 0.14 2.45 0.00 -0.42 0.85 119.26 122.73 1lfl h ALA 88 Ca 0.14 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 1lfl h ALA 88 Cb 0.67 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1lfl h ALA 88 CO 0.05 -0.47 -1.25 0.45 0.00 0.00 0.00 179.25 178.02 1lfl h HIS 89 N -0.28 0.63 0.00 0.00 3.86 -1.08 -3.22 115.15 115.06 1lfl h HIS 89 Ca -0.02 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 1lfl h HIS 89 Cb 0.11 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1lfl h HIS 89 CO 0.08 1.33 -0.04 -0.22 0.86 0.00 0.00 177.93 179.94 1lfl h LYS 90 N 0.12 0.00 0.15 2.45 1.63 -1.30 -3.42 116.57 116.20 1lfl h LYS 90 Ca -0.15 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.35 1lfl h LYS 90 Cb 1.96 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.60 1lfl h LYS 90 CO 0.22 0.00 -1.37 -0.07 -3.45 0.00 0.00 179.45 174.78 1lfl h LEU 91 N -0.34 0.49 -2.59 5.20 3.38 -0.66 -3.49 115.31 117.30 1lfl h LEU 91 Ca 0.00 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 1lfl h LEU 91 Cb 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1lfl h LEU 91 CO 0.00 1.44 -0.80 0.54 0.09 0.00 0.00 178.44 179.72 1lfl n ARG 92 N -3.54 -2.38 -4.53 1.13 1.74 0.29 -5.01 116.66 104.35 1lfl n ARG 92 Ca -0.12 2.04 -0.34 0.00 -0.77 0.00 0.00 57.85 58.66 1lfl n ARG 92 Cb 1.04 -4.51 -0.12 0.00 -1.02 0.00 0.00 32.46 27.86 1lfl n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1lfl s VAL 93 N -2.02 3.79 0.23 1.55 1.01 -1.18 -5.04 120.40 118.74 1lfl s VAL 93 Ca 0.19 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 1lfl s VAL 93 Cb -0.04 -2.60 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 1lfl s VAL 93 CO 0.73 0.56 1.58 -0.62 0.00 0.00 0.00 175.10 177.34 1lfl s ASP 94 N -0.34 6.50 0.31 3.32 3.68 -1.26 -4.89 116.67 123.99 1lfl s ASP 94 Ca 0.05 2.77 0.05 0.00 2.13 0.00 0.00 52.55 57.56 1lfl s ASP 94 Cb -0.12 -2.61 0.84 0.00 -1.45 0.00 0.00 42.92 39.57 1lfl s ASP 94 CO 0.02 -0.85 1.61 -0.65 0.13 0.00 0.00 175.17 175.43 1lfl h PRO 95 N 5.89 0.11 -0.42 4.34 0.11 -1.99 -0.65 132.00 139.39 1lfl h PRO 95 Ca -0.45 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1lfl h PRO 95 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1lfl h PRO 95 CO 0.86 0.07 0.45 -0.24 -0.21 0.00 0.00 178.00 178.94 1lfl h VAL 96 N 0.11 0.37 0.00 3.15 3.04 -2.02 0.08 116.25 120.98 1lfl h VAL 96 Ca 0.62 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 66.26 1lfl h VAL 96 Cb 1.35 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 1lfl h VAL 96 CO -0.76 0.00 -0.23 0.78 -1.01 0.00 0.00 177.57 176.35 1lfl h ASN 97 N 0.00 0.00 0.14 3.17 2.35 -1.47 -2.52 115.58 117.25 1lfl h ASN 97 Ca 0.20 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1lfl h ASN 97 Cb 1.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1lfl h ASN 97 CO -0.00 0.23 -0.34 -0.26 -1.65 0.00 0.00 177.43 175.41 1lfl h PHE 98 N 0.00 0.32 0.00 1.19 0.04 -1.15 -1.81 116.94 115.53 1lfl h PHE 98 Ca -0.00 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 1lfl h PHE 98 Cb 0.60 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1lfl h PHE 98 CO 0.00 0.59 -0.26 1.57 -0.60 0.00 0.00 178.31 179.61 1lfl h LYS 99 N 0.25 0.00 0.03 1.51 2.10 -1.56 -2.02 116.57 116.88 1lfl h LYS 99 Ca 0.03 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.45 1lfl h LYS 99 Cb 0.72 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1lfl h LYS 99 CO 0.05 0.26 -1.00 -0.07 -2.00 0.00 0.00 179.45 176.70 1lfl h LEU 100 N 0.00 0.43 -0.09 7.07 3.38 -1.34 -2.99 115.31 121.77 1lfl h LEU 100 Ca -0.00 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1lfl h LEU 100 Cb 0.86 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1lfl h LEU 100 CO 0.03 1.20 -0.22 0.25 0.09 0.00 0.00 178.44 179.79 1lfl h LEU 101 N 0.16 0.34 -0.53 1.67 5.85 -1.16 -3.13 115.31 118.51 1lfl h LEU 101 Ca -0.08 -0.59 0.08 0.00 0.84 0.00 0.00 57.88 58.13 1lfl h LEU 101 Cb 1.65 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.52 1lfl h LEU 101 CO 0.16 0.87 0.16 0.28 -0.34 0.00 0.00 178.44 179.57 1lfl h SER 102 N -0.17 0.12 -0.98 1.25 0.02 -1.44 -1.69 113.55 110.67 1lfl h SER 102 Ca -0.00 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1lfl h SER 102 Cb 0.83 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.38 1lfl h SER 102 CO 0.05 0.09 0.63 -0.74 -1.14 0.00 0.00 176.83 175.72 1lfl h HIS 103 N 0.32 1.16 0.00 3.45 -0.00 -1.58 -0.22 115.15 118.28 1lfl h HIS 103 Ca 0.26 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 1lfl h HIS 103 Cb 0.32 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1lfl h HIS 103 CO -0.19 0.59 -0.03 0.00 -0.00 0.00 0.00 177.93 178.30 1lfl h LEU 105 N 0.00 0.03 -0.25 0.00 5.85 -0.29 -1.94 115.31 118.70 1lfl h LEU 105 Ca -0.00 -0.66 0.02 0.00 0.84 0.00 0.00 57.88 58.08 1lfl h LEU 105 Cb 0.69 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1lfl h LEU 105 CO 0.00 0.68 0.12 -0.07 -0.34 0.00 0.00 178.44 178.84 1lfl h LEU 106 N -0.63 0.18 -1.44 2.25 4.07 -1.03 1.11 115.31 119.82 1lfl h LEU 106 Ca -0.00 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.03 1lfl h LEU 106 Cb 0.68 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.36 1lfl h LEU 106 CO 0.00 0.14 0.44 0.58 -1.08 0.00 0.00 178.44 178.52 1lfl h VAL 107 N 0.26 1.01 0.14 1.22 2.07 -1.04 0.36 116.25 120.27 1lfl h VAL 107 Ca 0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1lfl h VAL 107 Cb 0.03 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1lfl h VAL 107 CO -0.08 0.12 -0.07 0.74 0.02 0.00 0.00 177.57 178.31 1lfl h THR 108 N 0.68 0.91 -0.98 2.57 2.02 -0.27 -2.90 112.91 114.94 1lfl h THR 108 Ca 0.29 -1.21 0.15 0.00 0.77 0.00 0.00 66.41 66.41 1lfl h THR 108 Cb 0.26 1.55 -0.10 0.00 -1.74 0.00 0.00 68.15 68.12 1lfl h THR 108 CO -0.09 0.24 0.59 -0.07 0.37 0.00 0.00 175.52 176.56 1lfl h LEU 109 N -0.86 0.81 -1.27 2.58 4.07 0.14 -1.09 115.31 119.70 1lfl h LEU 109 Ca -0.02 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1lfl h LEU 109 Cb 0.54 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.18 1lfl h LEU 109 CO 0.03 0.36 0.22 0.00 -1.08 0.00 0.00 178.44 177.97 1lfl h ALA 110 N 1.59 1.43 -0.00 1.53 0.00 -0.98 -0.78 119.26 122.04 1lfl h ALA 110 Ca 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1lfl h ALA 110 Cb 0.68 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1lfl h ALA 110 CO -0.33 0.44 -0.08 0.00 0.00 0.00 0.00 179.25 179.29 1lfl n ALA 111 N -2.46 2.70 -0.00 0.00 0.00 -0.43 -3.90 120.51 116.42 1lfl n ALA 111 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.24 1lfl n ALA 111 Cb 0.14 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 1lfl n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 112 N -0.96 0.00 -2.87 0.00 -0.00 -1.01 -4.82 115.22 105.57 1lfl n HIS 112 Ca 0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.60 1lfl n HIS 112 Cb 0.26 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.99 30.16 1lfl n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lfl n LEU 113 N -1.63 4.62 -0.24 2.41 4.77 -0.33 -4.94 117.00 121.66 1lfl n LEU 113 Ca -0.01 -5.62 -0.00 0.00 -0.03 0.00 0.00 56.01 50.35 1lfl n LEU 113 Cb 0.11 -0.57 0.07 0.00 -2.33 0.00 0.00 43.42 40.70 1lfl n LEU 113 CO 0.04 2.33 0.70 1.55 -1.33 0.00 0.00 177.39 180.69 1lfl h PRO 114 N 2.97 -0.03 0.00 3.23 0.13 -1.84 -1.11 132.00 135.35 1lfl h PRO 114 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1lfl h PRO 114 Cb 0.54 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1lfl h PRO 114 CO 0.84 -0.02 -0.06 0.00 -0.23 0.00 0.00 178.00 178.53 1lfl h ALA 115 N 1.58 1.03 0.03 -0.56 0.00 -1.94 -3.29 119.26 116.11 1lfl h ALA 115 Ca 0.32 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.83 1lfl h ALA 115 Cb 0.53 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1lfl h ALA 115 CO -0.73 0.07 -2.09 0.39 0.00 0.00 0.00 179.25 176.89 1lfl n GLU 116 N -3.20 0.68 -1.09 0.00 4.71 -0.51 -4.63 120.64 116.61 1lfl n GLU 116 Ca 0.00 0.19 -0.35 0.00 -0.01 0.00 0.00 57.16 56.99 1lfl n GLU 116 Cb 0.31 -1.66 -0.03 0.00 -1.01 0.00 0.00 31.44 29.05 1lfl n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1lfl n PHE 117 N -3.13 1.96 -2.26 -0.32 7.35 -0.69 -4.68 117.46 115.68 1lfl n PHE 117 Ca -0.30 -2.14 -0.27 0.00 -0.76 0.00 0.00 57.45 53.97 1lfl n PHE 117 Cb 1.06 -1.88 0.04 0.00 0.35 0.00 0.00 39.48 39.05 1lfl n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfl s THR 118 N 3.90 3.36 0.43 -2.13 -4.23 -1.26 -4.77 115.64 110.94 1lfl s THR 118 Ca 0.50 0.04 0.18 0.00 -1.18 0.00 0.00 61.69 61.23 1lfl s THR 118 Cb 0.13 -3.37 0.38 0.00 1.34 0.00 0.00 72.50 70.97 1lfl s THR 118 CO 0.02 -0.41 1.89 -0.65 -0.54 0.00 0.00 174.62 174.93 1lfl h PRO 119 N -0.35 0.37 -0.34 3.99 0.11 -1.99 0.91 132.00 134.71 1lfl h PRO 119 Ca -0.45 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1lfl h PRO 119 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1lfl h PRO 119 CO 0.61 0.25 -0.29 0.00 -0.21 0.00 0.00 178.00 178.36 1lfl h ALA 120 N 1.62 0.49 -0.25 -0.75 0.00 -1.94 -2.08 119.26 116.36 1lfl h ALA 120 Ca 0.42 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1lfl h ALA 120 Cb 1.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1lfl h ALA 120 CO -0.14 0.52 -0.51 0.28 0.00 0.00 0.00 179.25 179.40 1lfl h VAL 121 N 0.58 1.29 -0.38 0.00 2.07 -1.61 -2.32 116.25 115.88 1lfl h VAL 121 Ca 0.06 -1.71 0.06 0.00 0.82 0.00 0.00 66.70 65.93 1lfl h VAL 121 Cb 0.86 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 1lfl h VAL 121 CO 0.07 0.55 0.05 -0.74 0.02 0.00 0.00 177.57 177.52 1lfl h HIS 122 N 0.53 0.07 -0.12 1.57 6.17 -0.84 0.41 115.15 122.94 1lfl h HIS 122 Ca 0.01 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1lfl h HIS 122 Cb 1.12 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 31.07 1lfl h HIS 122 CO 0.08 -0.02 0.08 0.00 0.71 0.00 0.00 177.93 178.78 1lfl h ALA 123 N 1.30 0.16 -0.21 5.26 0.00 -1.35 -2.00 119.26 122.42 1lfl h ALA 123 Ca 0.18 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1lfl h ALA 123 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1lfl h ALA 123 CO -0.26 -0.34 -0.01 0.77 0.00 0.00 0.00 179.25 179.40 1lfl h SER 124 N 0.16 -0.11 0.41 0.00 0.02 -0.69 -1.89 113.55 111.46 1lfl h SER 124 Ca 0.05 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1lfl h SER 124 Cb -0.00 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1lfl h SER 124 CO -0.01 -0.02 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.46 1lfl h LEU 125 N 0.05 0.00 -0.11 5.07 3.38 -0.09 0.29 115.31 123.90 1lfl h LEU 125 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1lfl h LEU 125 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1lfl h LEU 125 CO -0.18 0.12 -0.52 -0.78 0.09 0.00 0.00 178.44 177.18 1lfl h ASP 126 N 0.00 0.64 -0.51 -0.43 3.58 -0.68 -1.38 116.42 117.64 1lfl h ASP 126 Ca -0.00 -0.64 -0.09 0.00 0.42 0.00 0.00 57.03 56.72 1lfl h ASP 126 Cb 0.36 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1lfl h ASP 126 CO 0.02 1.18 -0.04 0.11 -2.88 0.00 0.00 179.24 177.62 1lfl h LYS 127 N 0.15 0.93 0.54 0.28 1.57 -0.91 -1.49 116.57 117.65 1lfl h LYS 127 Ca -0.03 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1lfl h LYS 127 Cb 1.16 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1lfl h LYS 127 CO 0.11 0.97 -0.41 0.35 -0.57 0.00 0.00 179.45 179.90 1lfl h PHE 128 N 0.80 -1.11 -0.53 -1.35 3.57 -0.89 -1.15 116.94 116.28 1lfl h PHE 128 Ca 0.14 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.77 1lfl h PHE 128 Cb 0.58 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1lfl h PHE 128 CO 0.04 -0.58 0.37 -0.07 -2.23 0.00 0.00 178.31 175.84 1lfl h LEU 129 N -0.92 0.12 -0.13 0.59 3.38 -1.25 -0.99 115.31 116.12 1lfl h LEU 129 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1lfl h LEU 129 Cb 0.76 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1lfl h LEU 129 CO 0.02 0.07 0.04 0.00 0.09 0.00 0.00 178.44 178.66 1lfl h ALA 130 N 1.74 0.16 0.00 1.53 0.00 -0.62 -1.98 119.26 120.09 1lfl h ALA 130 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1lfl h ALA 130 Cb 0.81 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1lfl h ALA 130 CO -0.03 -0.22 -0.23 0.66 0.00 0.00 0.00 179.25 179.43 1lfl h SER 131 N 0.02 0.00 0.88 0.00 4.64 -0.01 -0.76 113.55 118.32 1lfl h SER 131 Ca 0.04 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1lfl h SER 131 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1lfl h SER 131 CO -0.00 0.23 -0.28 0.58 -0.87 0.00 0.00 176.83 176.49 1lfl h VAL 132 N 0.00 0.67 0.20 0.95 2.07 -0.95 -2.49 116.25 116.70 1lfl h VAL 132 Ca -0.00 -1.25 -0.34 0.00 0.82 0.00 0.00 66.70 65.93 1lfl h VAL 132 Cb 0.64 1.82 0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1lfl h VAL 132 CO 0.03 0.27 -1.60 0.28 0.02 0.00 0.00 177.57 176.57 1lfl h SER 133 N 0.00 0.65 -0.99 0.57 0.02 -0.54 -2.36 113.55 110.89 1lfl h SER 133 Ca -0.00 -0.83 0.06 0.00 -0.84 0.00 0.00 61.79 60.18 1lfl h SER 133 Cb 0.79 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 1lfl h SER 133 CO 0.04 1.68 0.64 0.74 -1.14 0.00 0.00 176.83 178.79 1lfl h THR 134 N 0.11 1.10 -0.03 -2.27 2.02 -0.95 -2.19 112.91 110.70 1lfl h THR 134 Ca -0.29 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 1lfl h THR 134 Cb 2.10 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1lfl h THR 134 CO 0.21 0.21 -0.26 -0.37 0.37 0.00 0.00 175.52 175.68 1lfl h VAL 135 N 1.17 1.48 0.00 3.16 -1.51 -1.53 -0.73 116.25 118.28 1lfl h VAL 135 Ca 0.42 -1.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1lfl h VAL 135 Cb 0.14 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1lfl h VAL 135 CO -0.16 0.50 0.00 0.18 -1.23 0.00 0.00 177.57 176.86 1lfl n LEU 136 N -4.49 0.16 0.00 4.19 4.77 -0.87 -1.92 117.00 118.82 1lfl n LEU 136 Ca -0.09 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1lfl n LEU 136 Cb 0.48 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1lfl n LEU 136 CO 0.40 0.04 0.00 0.41 -1.33 0.00 0.00 177.39 176.91 1lfl n THR 137 N 0.06 0.00 0.08 -5.08 -1.04 -0.90 -4.71 114.28 102.69 1lfl n THR 137 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 1lfl n THR 137 Cb 0.04 0.22 0.72 0.00 -1.82 0.00 0.00 70.33 69.49 1lfl n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1lfl h SER 138 N 0.00 0.00 -0.76 8.00 4.64 -0.44 -1.92 113.55 123.07 1lfl h SER 138 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1lfl h SER 138 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1lfl h SER 138 CO 0.00 0.00 0.30 0.29 -0.87 0.00 0.00 176.83 176.55 1lfl n LYS 139 N -3.64 2.36 0.08 4.77 5.02 -1.26 -4.46 118.16 121.03 1lfl n LYS 139 Ca 0.08 -3.27 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 1lfl n LYS 139 Cb 0.68 -2.10 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1lfl n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1lfl h TYR 140 N 1.36 0.00 0.00 2.13 0.05 -1.69 -3.42 116.97 115.40 1lfl h TYR 140 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.25 1lfl h TYR 140 Cb 1.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.59 1lfl h TYR 140 CO 1.30 0.58 0.00 2.89 -1.05 0.00 0.00 178.16 181.88