#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6f s GLN 2 N 0.00 2.96 0.26 0.00 2.00 -1.26 -5.10 119.66 118.52 1f6f s GLN 2 Ca 0.00 0.85 0.02 0.00 -2.00 0.00 0.00 55.36 54.23 1f6f s GLN 2 Cb 0.00 -2.00 -0.03 0.00 0.80 0.00 0.00 33.01 31.78 1f6f s GLN 2 CO 0.00 -1.06 0.21 -1.01 -0.50 0.00 0.00 175.29 172.93 1f6f s HIS 3 N -3.10 1.37 0.55 1.67 3.76 -1.26 -5.15 115.29 113.12 1f6f s HIS 3 Ca 0.58 -1.47 -0.16 0.00 -0.15 0.00 0.00 55.06 53.86 1f6f s HIS 3 Cb -0.13 -0.59 -0.06 0.00 1.11 0.00 0.00 32.58 32.91 1f6f s HIS 3 CO 0.55 -0.75 1.01 -2.14 -0.85 0.00 0.00 174.74 172.55 1f6f s PRO 4 N -3.85 3.73 0.10 8.40 0.02 -1.26 -4.96 135.00 137.18 1f6f s PRO 4 Ca 0.39 1.02 -0.19 0.00 0.02 0.00 0.00 61.00 62.23 1f6f s PRO 4 Cb 0.05 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 1f6f s PRO 4 CO 0.18 -0.46 1.24 -2.30 -0.33 0.00 0.00 177.00 175.33 1f6f n PRO 5 N -1.80 -0.27 0.29 5.54 -0.02 -1.26 -1.21 135.00 136.26 1f6f n PRO 5 Ca 0.07 1.22 0.18 0.00 -2.02 0.00 0.00 63.50 62.95 1f6f n PRO 5 Cb 0.54 -1.80 0.96 0.00 -0.02 0.00 0.00 33.50 33.18 1f6f n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1f6f h TYR 6 N 0.00 0.00 0.00 6.00 -0.00 -1.99 -0.86 116.97 120.11 1f6f h TYR 6 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.83 1f6f h TYR 6 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.98 1f6f h TYR 6 CO -0.90 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 177.26 1f6f n ARG 8 N -0.56 0.98 -4.75 0.00 3.00 -0.33 -4.80 116.66 110.20 1f6f n ARG 8 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.63 1f6f n ARG 8 Cb 0.01 -1.08 -0.16 0.00 0.00 0.00 0.00 32.46 31.24 1f6f n ARG 8 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1f6f s ASN 9 N 0.86 1.97 0.00 6.15 0.02 -1.22 -5.08 114.94 117.64 1f6f s ASN 9 Ca 0.00 -0.32 0.00 0.00 -1.02 0.00 0.00 52.86 51.52 1f6f s ASN 9 Cb 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 41.25 40.75 1f6f s ASN 9 CO 0.00 0.14 0.00 0.00 0.02 0.00 0.00 177.10 177.26 1f6f n GLN 10 N 3.13 0.00 -1.61 -0.60 6.02 -1.26 -4.65 117.38 118.41 1f6f n GLN 10 Ca -0.18 0.00 -0.63 0.00 -0.01 0.00 0.00 57.00 56.19 1f6f n GLN 10 Cb 0.53 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.70 1f6f n GLN 10 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1f6f n PRO 11 N -3.11 0.00 -0.33 -1.09 -0.04 -1.26 -4.76 135.00 124.41 1f6f n PRO 11 Ca 0.00 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.69 1f6f n PRO 11 Cb 0.00 -1.40 0.51 0.00 -0.04 0.00 0.00 33.50 32.57 1f6f n PRO 11 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1f6f h GLY 12 N 4.47 1.26 0.00 0.55 0.00 -2.00 -3.40 103.07 103.95 1f6f h GLY 12 Ca -0.42 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1f6f h GLY 12 CO 0.88 -0.15 0.00 0.28 0.00 0.00 0.00 176.54 177.55 1f6f n LYS 13 N -4.65 2.67 0.00 4.80 5.02 -1.26 -5.08 118.16 119.66 1f6f n LYS 13 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1f6f n LYS 13 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.90 1f6f n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f6f s GLN 15 N 0.00 2.00 0.20 0.00 -0.21 -1.26 -5.09 119.66 115.30 1f6f s GLN 15 Ca 0.00 -1.40 -0.30 0.00 0.02 0.00 0.00 55.36 53.68 1f6f s GLN 15 Cb 0.00 -2.07 -0.09 0.00 1.00 0.00 0.00 33.01 31.85 1f6f s GLN 15 CO 0.00 0.40 1.37 0.42 -2.12 0.00 0.00 175.29 175.36 1f6f s ILE 16 N -1.95 3.04 0.72 1.08 1.01 -1.26 -4.93 121.20 118.92 1f6f s ILE 16 Ca 0.27 0.84 -0.15 0.00 0.00 0.00 0.00 60.65 61.60 1f6f s ILE 16 Cb -0.08 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.89 1f6f s ILE 16 CO 0.16 0.12 1.21 -2.84 0.00 0.00 0.00 174.94 173.58 1f6f s PRO 17 N 0.00 2.18 0.36 2.79 0.02 -1.26 -4.88 135.00 134.21 1f6f s PRO 17 Ca 0.59 1.75 0.05 0.00 0.02 0.00 0.00 61.00 63.41 1f6f s PRO 17 Cb -0.38 -1.84 0.67 0.00 0.02 0.00 0.00 34.50 32.97 1f6f s PRO 17 CO 0.38 -1.81 1.94 1.25 -0.33 0.00 0.00 177.00 178.44 1f6f h LEU 18 N -0.26 0.53 -0.42 -5.54 5.85 -2.00 -2.45 115.31 111.01 1f6f h LEU 18 Ca -0.48 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.20 1f6f h LEU 18 Cb 1.29 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1f6f h LEU 18 CO 0.50 0.50 0.25 -0.61 -0.34 0.00 0.00 178.44 178.74 1f6f h GLN 19 N 0.58 0.49 -0.65 1.25 5.75 -1.96 -1.95 115.11 118.63 1f6f h GLN 19 Ca 0.14 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1f6f h GLN 19 Cb 0.16 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1f6f h GLN 19 CO -0.01 0.32 0.22 0.77 -2.65 0.00 0.00 178.83 177.49 1f6f h SER 20 N 0.51 0.92 -0.50 -0.69 0.02 -1.82 -1.64 113.55 110.35 1f6f h SER 20 Ca 0.17 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1f6f h SER 20 Cb 0.01 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1f6f h SER 20 CO -0.08 0.87 0.32 -0.07 -1.14 0.00 0.00 176.83 176.74 1f6f h LEU 21 N 0.92 0.55 -1.13 5.07 3.38 -1.20 -2.17 115.31 120.73 1f6f h LEU 21 Ca 0.21 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1f6f h LEU 21 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1f6f h LEU 21 CO -0.01 0.40 -0.39 -0.26 0.09 0.00 0.00 178.44 178.27 1f6f h PHE 22 N 0.66 0.09 0.28 1.13 -1.00 -1.20 -2.41 116.94 114.49 1f6f h PHE 22 Ca 0.19 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 1f6f h PHE 22 Cb -0.06 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.48 1f6f h PHE 22 CO -0.05 0.46 -0.14 -0.44 -1.61 0.00 0.00 178.31 176.54 1f6f h ASP 23 N 0.07 -0.32 -0.96 2.17 3.32 -0.71 -1.75 116.42 118.24 1f6f h ASP 23 Ca 0.01 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1f6f h ASP 23 Cb 0.73 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 1f6f h ASP 23 CO 0.05 -0.18 0.63 0.03 -1.72 0.00 0.00 179.24 178.05 1f6f h ARG 24 N -0.44 1.16 -0.39 3.56 3.08 -1.31 -1.91 114.38 118.14 1f6f h ARG 24 Ca -0.04 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1f6f h ARG 24 Cb 0.33 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1f6f h ARG 24 CO 0.06 0.77 -0.04 0.00 -1.07 0.00 0.00 179.97 179.69 1f6f h ALA 25 N 1.45 0.53 0.00 0.04 0.00 -1.34 -1.64 119.26 118.30 1f6f h ALA 25 Ca 0.38 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1f6f h ALA 25 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1f6f h ALA 25 CO -0.12 0.35 -0.48 1.79 0.00 0.00 0.00 179.25 180.79 1f6f h THR 26 N 0.54 1.23 0.00 0.00 1.35 -1.03 -1.68 112.91 113.31 1f6f h THR 26 Ca 0.11 -1.72 -0.20 0.00 -0.55 0.00 0.00 66.41 64.04 1f6f h THR 26 Cb 0.54 1.96 -0.03 0.00 -1.73 0.00 0.00 68.15 68.89 1f6f h THR 26 CO 0.03 0.47 -0.97 0.71 -0.25 0.00 0.00 175.52 175.51 1f6f h THR 27 N 0.00 1.68 -0.06 6.82 1.35 -1.10 -1.02 112.91 120.58 1f6f h THR 27 Ca -0.00 -3.36 -0.01 0.00 -0.55 0.00 0.00 66.41 62.49 1f6f h THR 27 Cb 0.92 2.82 -0.00 0.00 -1.73 0.00 0.00 68.15 70.16 1f6f h THR 27 CO 0.06 0.95 -0.01 0.58 -0.25 0.00 0.00 175.52 176.85 1f6f h VAL 28 N 0.00 1.29 -0.80 6.82 2.07 -1.26 -2.24 116.25 122.12 1f6f h VAL 28 Ca -0.01 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.66 1f6f h VAL 28 Cb 1.74 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 33.24 1f6f h VAL 28 CO 0.13 0.25 0.52 0.00 0.02 0.00 0.00 177.57 178.49 1f6f h ALA 29 N 0.67 1.58 -0.54 1.67 0.00 -1.28 -1.56 119.26 119.79 1f6f h ALA 29 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1f6f h ALA 29 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1f6f h ALA 29 CO 0.01 0.31 0.30 -0.97 0.00 0.00 0.00 179.25 178.89 1f6f h ASN 30 N 0.91 0.68 -0.10 0.00 -1.24 -1.01 -2.22 115.58 112.61 1f6f h ASN 30 Ca 0.33 -0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.26 1f6f h ASN 30 Cb 0.16 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1f6f h ASN 30 CO -0.11 0.58 0.01 0.22 -1.29 0.00 0.00 177.43 176.84 1f6f h TYR 31 N 0.73 0.02 -0.63 0.67 3.20 -0.72 -1.73 116.97 118.51 1f6f h TYR 31 Ca 0.19 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1f6f h TYR 31 Cb 0.05 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1f6f h TYR 31 CO -0.01 0.00 0.36 -0.91 -1.64 0.00 0.00 178.16 175.96 1f6f h ASN 32 N 0.05 0.76 -0.29 -2.11 2.35 -1.24 -1.09 115.58 114.01 1f6f h ASN 32 Ca 0.04 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1f6f h ASN 32 Cb 0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1f6f h ASN 32 CO -0.06 0.60 -0.10 -1.28 -1.65 0.00 0.00 177.43 174.94 1f6f h SER 33 N 0.87 0.69 0.11 5.81 0.87 -0.98 -0.71 113.55 120.21 1f6f h SER 33 Ca 0.23 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1f6f h SER 33 Cb -0.00 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1f6f h SER 33 CO -0.04 0.83 -0.05 0.11 -0.53 0.00 0.00 176.83 177.14 1f6f h LYS 34 N 0.64 -0.14 -0.55 2.24 1.79 -0.42 -2.16 116.57 117.98 1f6f h LYS 34 Ca 0.11 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.69 1f6f h LYS 34 Cb 0.55 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.15 1f6f h LYS 34 CO 0.03 0.18 0.09 -0.07 -1.08 0.00 0.00 179.45 178.61 1f6f h LEU 35 N -0.48 -0.04 -1.07 2.94 3.38 -1.09 -0.82 115.31 118.13 1f6f h LEU 35 Ca -0.01 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1f6f h LEU 35 Cb 0.39 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1f6f h LEU 35 CO 0.02 -0.00 0.61 0.00 0.09 0.00 0.00 178.44 179.16 1f6f h ALA 36 N 1.45 1.32 -0.44 1.53 0.00 -1.09 -1.38 119.26 120.65 1f6f h ALA 36 Ca 0.28 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1f6f h ALA 36 Cb 0.41 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1f6f h ALA 36 CO -0.38 0.62 -0.06 0.78 0.00 0.00 0.00 179.25 180.21 1f6f h GLY 37 N 1.27 0.81 0.97 0.00 0.00 -0.55 -1.46 103.07 104.12 1f6f h GLY 37 Ca 0.34 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1f6f h GLY 37 CO -0.07 0.53 0.24 0.83 0.00 0.00 0.00 176.54 178.07 1f6f h GLU 38 N 0.70 0.66 -0.67 4.80 5.08 -0.34 -1.85 114.58 122.96 1f6f h GLU 38 Ca 0.13 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1f6f h GLU 38 Cb 0.51 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1f6f h GLU 38 CO 0.03 0.54 0.12 0.52 -1.00 0.00 0.00 179.01 179.22 1f6f h MET 39 N 0.62 1.10 -0.81 2.33 2.86 -1.05 -2.15 114.93 117.83 1f6f h MET 39 Ca 0.16 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1f6f h MET 39 Cb 0.08 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 1f6f h MET 39 CO -0.02 1.00 0.51 0.28 1.06 0.00 0.00 176.91 179.74 1f6f h VAL 40 N 1.03 1.11 0.44 -2.22 2.07 -1.03 -2.48 116.25 115.17 1f6f h VAL 40 Ca 0.21 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1f6f h VAL 40 Cb 0.42 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1f6f h VAL 40 CO 0.01 0.18 -0.21 0.78 0.02 0.00 0.00 177.57 178.35 1f6f h ASN 41 N 0.99 -0.50 -1.23 0.57 2.35 -0.98 -2.64 115.58 114.13 1f6f h ASN 41 Ca 0.33 0.02 0.37 0.00 -0.55 0.00 0.00 56.30 56.47 1f6f h ASN 41 Cb 0.04 0.13 -0.11 0.00 0.05 0.00 0.00 38.32 38.44 1f6f h ASN 41 CO -0.12 -0.27 0.81 -0.09 -1.65 0.00 0.00 177.43 176.10 1f6f h ARG 42 N -0.77 0.18 0.03 0.81 9.65 -1.43 0.28 114.38 123.13 1f6f h ARG 42 Ca -0.06 -0.01 -0.22 0.00 -1.10 0.00 0.00 59.98 58.59 1f6f h ARG 42 Cb 0.46 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1f6f h ARG 42 CO 0.10 0.12 -1.01 0.35 2.80 0.00 0.00 179.97 182.33 1f6f h PHE 43 N 0.19 0.19 0.00 2.20 3.57 -1.48 -3.23 116.94 118.37 1f6f h PHE 43 Ca 0.72 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 62.04 1f6f h PHE 43 Cb 2.20 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.92 1f6f h PHE 43 CO -0.00 1.04 -0.23 -0.44 -2.23 0.00 0.00 178.31 176.44 1f6f h ASP 44 N 0.04 0.00 -2.13 0.41 3.45 -0.11 -2.47 116.42 115.62 1f6f h ASP 44 Ca -0.05 0.00 -0.76 0.00 0.43 0.00 0.00 57.03 56.65 1f6f h ASP 44 Cb 1.72 0.00 -0.30 0.00 -0.56 0.00 0.00 39.33 40.19 1f6f h ASP 44 CO 0.15 0.23 0.75 -0.62 -1.57 0.00 0.00 179.24 178.18 1f6f n GLU 45 N -3.19 4.22 0.00 3.56 -0.58 -0.57 -4.23 120.64 119.85 1f6f n GLU 45 Ca 0.02 -4.31 0.00 0.00 -0.42 0.00 0.00 57.16 52.45 1f6f n GLU 45 Cb 0.58 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.09 1f6f n GLU 45 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1f6f n GLN 46 N -0.26 0.00 0.00 3.49 6.02 -1.23 -4.95 117.38 120.44 1f6f n GLN 46 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1f6f n GLN 46 Cb 0.29 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.55 1f6f n GLN 46 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1f6f n TYR 47 N -0.58 0.00 -2.19 1.08 4.02 -0.93 -5.13 117.16 113.43 1f6f n TYR 47 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1f6f n TYR 47 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 1f6f n TYR 47 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1f6f s VAL 57 N 3.41 3.68 0.34 -0.72 1.01 -1.26 -4.98 120.40 121.88 1f6f s VAL 57 Ca 0.00 0.67 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 1f6f s VAL 57 Cb 0.00 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 1f6f s VAL 57 CO 0.00 -0.66 0.88 -0.38 0.00 0.00 0.00 175.10 174.94 1f6f n ILE 58 N 7.21 2.06 -3.13 2.22 -0.00 -1.26 -4.96 119.36 121.51 1f6f n ILE 58 Ca 0.19 -0.50 -0.20 0.00 -0.00 0.00 0.00 62.75 62.24 1f6f n ILE 58 Cb 0.48 -0.88 -0.04 0.00 -0.00 0.00 0.00 39.64 39.20 1f6f n ILE 58 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1f6f n ASN 59 N 1.11 -0.04 -4.67 4.38 4.05 -1.26 -5.12 115.26 113.70 1f6f n ASN 59 Ca 0.10 -2.90 -0.44 0.00 0.45 0.00 0.00 54.58 51.79 1f6f n ASN 59 Cb 0.35 -0.27 -0.02 0.00 1.23 0.00 0.00 39.78 41.07 1f6f n ASN 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1f6f h HIS 61 N 3.49 0.00 -0.02 0.00 2.07 -1.98 -2.44 115.15 116.27 1f6f h HIS 61 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1f6f h HIS 61 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1f6f h HIS 61 CO 0.54 0.01 0.00 0.25 -3.07 0.00 0.00 177.93 175.66 1f6f n THR 62 N -3.13 0.02 0.33 6.12 -2.24 -1.26 -3.90 114.28 110.22 1f6f n THR 62 Ca -0.01 -0.14 0.21 0.00 -2.27 0.00 0.00 64.05 61.84 1f6f n THR 62 Cb 0.21 0.04 1.11 0.00 -2.10 0.00 0.00 70.33 69.59 1f6f n THR 62 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1f6f h SER 63 N 1.24 0.00 0.64 3.42 4.64 -1.81 -1.71 113.55 119.97 1f6f h SER 63 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1f6f h SER 63 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1f6f h SER 63 CO 0.00 0.00 -0.25 0.77 -0.87 0.00 0.00 176.83 176.48 1f6f h SER 64 N 0.00 0.00 -3.24 4.97 4.64 -1.82 -3.40 113.55 114.70 1f6f h SER 64 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1f6f h SER 64 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.12 1f6f h SER 64 CO 0.00 0.25 0.89 -0.63 -0.87 0.00 0.00 176.83 176.47 1f6f s ILE 65 N -3.89 4.39 -0.02 0.95 1.01 -0.64 -4.99 121.20 118.00 1f6f s ILE 65 Ca -0.01 1.60 -0.28 0.00 0.00 0.00 0.00 60.65 61.95 1f6f s ILE 65 Cb 0.12 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1f6f s ILE 65 CO 0.65 -0.46 0.92 -0.89 0.00 0.00 0.00 174.94 175.16 1f6f s THR 66 N 3.85 4.90 0.22 2.92 2.01 -1.26 -5.05 115.64 123.22 1f6f s THR 66 Ca 0.49 1.92 0.09 0.00 0.31 0.00 0.00 61.69 64.51 1f6f s THR 66 Cb -0.14 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 1f6f s THR 66 CO 0.18 0.17 -0.18 0.42 -0.69 0.00 0.00 174.62 174.52 1f6f s THR 67 N 1.04 2.01 -0.14 -0.82 -4.23 -1.26 -5.08 115.64 107.16 1f6f s THR 67 Ca 0.48 -2.18 -0.29 0.00 -1.18 0.00 0.00 61.69 58.52 1f6f s THR 67 Cb -0.20 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 1f6f s THR 67 CO 0.25 -0.44 1.03 -2.16 -0.54 0.00 0.00 174.62 172.76 1f6f s PRO 68 N -3.32 4.37 0.00 3.99 0.04 -1.26 -4.92 135.00 133.89 1f6f s PRO 68 Ca 0.23 1.40 0.12 0.00 0.04 0.00 0.00 61.00 62.79 1f6f s PRO 68 Cb -0.04 -3.57 0.29 0.00 0.04 0.00 0.00 34.50 31.22 1f6f s PRO 68 CO 0.09 -0.42 1.20 0.09 0.04 0.00 0.00 177.00 178.01 1f6f n ASN 69 N 5.42 2.83 -4.22 6.66 5.03 -1.26 -4.74 115.26 124.97 1f6f n ASN 69 Ca 0.10 -1.89 -0.13 0.00 0.87 0.00 0.00 54.58 53.53 1f6f n ASN 69 Cb 0.48 -0.20 -0.10 0.00 -1.02 0.00 0.00 39.78 38.93 1f6f n ASN 69 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1f6f s SER 70 N -1.02 1.60 0.08 6.41 1.04 -1.26 -5.07 113.70 115.48 1f6f s SER 70 Ca 0.24 -1.01 -0.23 0.00 0.48 0.00 0.00 55.95 55.43 1f6f s SER 70 Cb 0.13 0.02 -0.15 0.00 0.10 0.00 0.00 66.02 66.12 1f6f s SER 70 CO 0.18 -0.37 1.69 0.50 0.98 0.00 0.00 173.24 176.22 1f6f h LYS 71 N 2.85 0.01 -0.57 4.02 3.64 -1.99 -2.10 116.57 122.44 1f6f h LYS 71 Ca -0.36 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.11 1f6f h LYS 71 Cb 1.18 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 1f6f h LYS 71 CO 0.64 0.06 -0.41 0.00 -2.27 0.00 0.00 179.45 177.46 1f6f h ALA 72 N 0.95 -0.28 -0.16 5.00 0.00 -1.99 -0.18 119.26 122.60 1f6f h ALA 72 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1f6f h ALA 72 Cb 0.05 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1f6f h ALA 72 CO -0.00 -0.80 -0.37 1.49 0.00 0.00 0.00 179.25 179.57 1f6f h GLU 73 N -0.22 0.34 -0.09 0.00 4.81 -1.97 -2.51 114.58 114.94 1f6f h GLU 73 Ca 0.19 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 1f6f h GLU 73 Cb 0.56 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.94 1f6f h GLU 73 CO -0.68 0.67 -0.44 0.00 -0.73 0.00 0.00 179.01 177.83 1f6f h ALA 74 N 1.32 0.18 -0.13 2.92 0.00 -0.81 -2.76 119.26 119.97 1f6f h ALA 74 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1f6f h ALA 74 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1f6f h ALA 74 CO 0.06 0.32 -0.07 0.82 0.00 0.00 0.00 179.25 180.38 1f6f h ILE 75 N 0.03 1.14 0.00 0.00 5.03 -1.02 -2.45 117.51 120.24 1f6f h ILE 75 Ca -0.03 -0.58 0.00 0.00 -0.12 0.00 0.00 64.86 64.13 1f6f h ILE 75 Cb 1.09 1.12 0.00 0.00 -3.03 0.00 0.00 36.82 36.00 1f6f h ILE 75 CO 0.09 0.18 0.00 0.59 -0.68 0.00 0.00 178.15 178.34 1f6f n ASN 76 N -4.34 0.81 -4.71 1.72 3.02 -0.95 -4.87 115.26 105.94 1f6f n ASN 76 Ca -0.01 0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 54.72 1f6f n ASN 76 Cb 0.22 -0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 38.55 1f6f n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1f6f s THR 77 N -3.16 3.02 0.42 3.41 2.01 -0.92 -4.96 115.64 115.45 1f6f s THR 77 Ca 0.09 0.67 -0.26 0.00 0.31 0.00 0.00 61.69 62.50 1f6f s THR 77 Cb 0.11 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.10 1f6f s THR 77 CO 0.55 0.04 1.28 1.21 -0.69 0.00 0.00 174.62 177.00 1f6f n GLU 78 N 4.42 1.95 0.07 4.92 2.13 -1.26 -4.83 120.64 128.05 1f6f n GLU 78 Ca 0.13 0.69 0.10 0.00 0.66 0.00 0.00 57.16 58.75 1f6f n GLU 78 Cb 0.41 -2.39 0.57 0.00 0.27 0.00 0.00 31.44 30.29 1f6f n GLU 78 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1f6f h ASP 79 N 2.11 0.19 -0.67 4.31 2.03 -1.98 -2.15 116.42 120.27 1f6f h ASP 79 Ca -0.48 -0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.80 1f6f h ASP 79 Cb 1.29 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 39.72 1f6f h ASP 79 CO 0.60 0.13 0.35 0.11 -1.03 0.00 0.00 179.24 179.40 1f6f h LYS 80 N 0.22 0.94 -0.09 4.15 1.57 -2.01 -2.69 116.57 118.67 1f6f h LYS 80 Ca 0.15 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1f6f h LYS 80 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1f6f h LYS 80 CO -0.03 0.72 -0.67 0.82 -0.57 0.00 0.00 179.45 179.73 1f6f h ILE 81 N 0.92 1.38 -0.37 1.86 2.04 -1.77 -2.94 117.51 118.64 1f6f h ILE 81 Ca 0.23 -2.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 1f6f h ILE 81 Cb 0.07 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1f6f h ILE 81 CO -0.04 0.62 0.17 -0.07 0.00 0.00 0.00 178.15 178.83 1f6f h LEU 82 N 0.25 0.48 -0.15 1.44 3.38 -1.30 -1.50 115.31 117.91 1f6f h LEU 82 Ca -0.02 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1f6f h LEU 82 Cb 1.22 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1f6f h LEU 82 CO 0.11 0.48 -0.08 -0.26 0.09 0.00 0.00 178.44 178.78 1f6f h PHE 83 N 0.45 -0.20 -0.38 1.13 0.05 -1.51 -2.15 116.94 114.33 1f6f h PHE 83 Ca 0.12 0.02 0.06 0.00 3.82 0.00 0.00 57.97 62.00 1f6f h PHE 83 Cb 0.13 0.11 -0.06 0.00 2.00 0.00 0.00 35.95 38.14 1f6f h PHE 83 CO -0.01 -0.13 0.04 0.87 -0.18 0.00 0.00 178.31 178.89 1f6f h LYS 84 N -0.08 0.15 -0.98 1.51 1.79 -1.32 -1.23 116.57 116.41 1f6f h LYS 84 Ca 0.09 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1f6f h LYS 84 Cb 0.21 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1f6f h LYS 84 CO -0.20 0.10 0.65 -0.07 -1.08 0.00 0.00 179.45 178.85 1f6f h LEU 85 N 0.15 1.12 -0.22 2.94 3.38 -0.93 -1.73 115.31 120.03 1f6f h LEU 85 Ca 0.18 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1f6f h LEU 85 Cb 0.24 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1f6f h LEU 85 CO -0.27 0.81 -0.23 0.58 0.09 0.00 0.00 178.44 179.41 1f6f h VAL 86 N 1.32 1.32 -0.61 1.22 2.07 -0.91 -2.34 116.25 118.32 1f6f h VAL 86 Ca 0.36 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 1f6f h VAL 86 Cb -0.14 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1f6f h VAL 86 CO -0.08 0.43 0.08 0.40 0.02 0.00 0.00 177.57 178.43 1f6f h ILE 87 N 0.23 1.26 -0.00 4.57 2.04 -1.14 -2.31 117.51 122.16 1f6f h ILE 87 Ca 0.03 -1.03 -0.19 0.00 1.00 0.00 0.00 64.86 64.68 1f6f h ILE 87 Cb 0.79 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1f6f h ILE 87 CO 0.06 0.38 -0.85 0.77 0.00 0.00 0.00 178.15 178.51 1f6f h SER 88 N 0.93 0.23 -0.64 1.72 4.64 -1.34 -2.18 113.55 116.91 1f6f h SER 88 Ca 0.18 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1f6f h SER 88 Cb 0.45 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1f6f h SER 88 CO 0.01 0.97 0.38 -0.07 -0.87 0.00 0.00 176.83 177.26 1f6f h LEU 89 N 0.10 0.78 -0.45 5.97 3.38 -1.37 -0.90 115.31 122.82 1f6f h LEU 89 Ca -0.04 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1f6f h LEU 89 Cb 1.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1f6f h LEU 89 CO 0.13 0.62 -0.25 -0.07 0.09 0.00 0.00 178.44 178.96 1f6f h LEU 90 N 0.87 1.00 -0.88 1.67 3.38 -1.43 -3.01 115.31 116.91 1f6f h LEU 90 Ca 0.23 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1f6f h LEU 90 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1f6f h LEU 90 CO -0.04 1.20 0.15 0.45 0.09 0.00 0.00 178.44 180.29 1f6f h HIS 91 N 0.81 1.01 0.00 1.13 3.86 -1.20 -2.85 115.15 117.92 1f6f h HIS 91 Ca 0.10 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1f6f h HIS 91 Cb 0.83 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1f6f h HIS 91 CO 0.06 0.84 0.00 0.43 0.86 0.00 0.00 177.93 180.11 1f6f n SER 92 N -4.25 0.21 -0.14 2.45 7.64 -0.36 -2.98 113.62 116.19 1f6f n SER 92 Ca 0.05 0.58 0.08 0.00 1.01 0.00 0.00 58.87 60.59 1f6f n SER 92 Cb 0.24 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 1f6f n SER 92 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1f6f n TRP 93 N -1.77 0.00 -0.23 1.43 7.02 -1.07 -4.56 117.44 118.26 1f6f n TRP 93 Ca 0.01 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.43 1f6f n TRP 93 Cb 0.06 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.00 1f6f n TRP 93 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 1f6f h ASP 94 N 0.71 0.77 0.19 -0.99 3.58 -1.66 -2.55 116.42 116.46 1f6f h ASP 94 Ca 0.00 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1f6f h ASP 94 Cb 0.48 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1f6f h ASP 94 CO 0.00 0.58 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.52 1f6f h GLU 95 N 0.88 -0.24 -0.86 0.28 5.08 -1.81 -2.27 114.58 115.65 1f6f h GLU 95 Ca 0.24 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.74 1f6f h GLU 95 Cb -0.06 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 1f6f h GLU 95 CO -0.05 0.14 0.55 -1.35 -1.00 0.00 0.00 179.01 177.30 1f6f h PRO 96 N -0.71 0.67 -0.22 2.33 0.11 -1.81 -0.66 132.00 131.71 1f6f h PRO 96 Ca -0.03 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 1f6f h PRO 96 Cb 0.49 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1f6f h PRO 96 CO 0.04 0.44 -0.38 -0.07 -0.21 0.00 0.00 178.00 177.82 1f6f h LEU 97 N 0.69 0.53 -0.30 2.35 3.38 -1.47 -1.42 115.31 119.06 1f6f h LEU 97 Ca 0.42 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1f6f h LEU 97 Cb 0.65 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1f6f h LEU 97 CO -0.18 0.87 0.17 -0.74 0.09 0.00 0.00 178.44 178.65 1f6f h HIS 98 N 0.42 0.40 -0.61 1.13 2.76 -0.53 -0.99 115.15 117.73 1f6f h HIS 98 Ca 0.04 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.12 1f6f h HIS 98 Cb 0.86 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 1f6f h HIS 98 CO 0.03 0.31 0.04 0.45 -1.30 0.00 0.00 177.93 177.46 1f6f h HIS 99 N 0.37 1.11 -0.03 5.26 3.86 -1.14 -2.53 115.15 122.05 1f6f h HIS 99 Ca 0.11 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1f6f h HIS 99 Cb 0.04 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.21 1f6f h HIS 99 CO -0.04 0.97 0.01 0.00 0.86 0.00 0.00 177.93 179.73 1f6f h ALA 100 N 1.07 0.04 -0.52 2.45 0.00 -1.03 -2.65 119.26 118.63 1f6f h ALA 100 Ca 0.18 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1f6f h ALA 100 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1f6f h ALA 100 CO 0.02 -0.36 0.34 0.28 0.00 0.00 0.00 179.25 179.54 1f6f h VAL 101 N -0.13 1.03 -0.13 0.00 2.07 -1.12 -1.17 116.25 116.80 1f6f h VAL 101 Ca 0.01 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1f6f h VAL 101 Cb 0.19 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1f6f h VAL 101 CO -0.00 0.10 -0.46 0.74 0.02 0.00 0.00 177.57 177.97 1f6f h THR 102 N 0.54 1.33 -0.02 2.57 2.02 -1.29 -2.43 112.91 115.63 1f6f h THR 102 Ca 0.22 -1.65 -0.08 0.00 0.77 0.00 0.00 66.41 65.66 1f6f h THR 102 Cb 0.18 1.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1f6f h THR 102 CO -0.06 0.50 -0.30 -0.08 0.37 0.00 0.00 175.52 175.95 1f6f h GLU 103 N 0.26 0.24 0.00 6.66 4.57 -1.00 -3.25 114.58 122.06 1f6f h GLU 103 Ca 0.02 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1f6f h GLU 103 Cb 0.92 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1f6f h GLU 103 CO 0.08 0.93 0.00 1.28 -1.18 0.00 0.00 179.01 180.11 1f6f n LEU 104 N -4.46 0.00 -0.01 1.64 4.77 -0.51 -2.55 117.00 115.88 1f6f n LEU 104 Ca -0.09 0.46 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 1f6f n LEU 104 Cb 0.52 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1f6f n LEU 104 CO 0.41 -0.20 -0.41 0.00 -1.33 0.00 0.00 177.39 175.85 1f6f h ALA 105 N 2.61 0.71 0.00 -1.18 0.00 -1.46 -3.46 119.26 116.48 1f6f h ALA 105 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1f6f h ALA 105 Cb 0.26 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1f6f h ALA 105 CO 0.00 1.52 0.00 0.09 0.00 0.00 0.00 179.25 180.86 1f6f n ASN 106 N -3.09 0.00 0.00 0.00 3.02 -1.06 -5.12 115.26 109.02 1f6f n ASN 106 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1f6f n ASN 106 Cb 1.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.20 1f6f n ASN 106 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1f6f n PRO 112 N 0.00 0.00 0.12 3.52 -0.04 -1.26 -5.04 135.00 132.30 1f6f n PRO 112 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1f6f n PRO 112 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 1f6f n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f6f h ALA 113 N -2.00 -0.06 -0.40 0.55 0.00 -2.01 -3.36 119.26 111.98 1f6f h ALA 113 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 54.91 54.05 1f6f h ALA 113 Cb 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1f6f h ALA 113 CO 0.00 0.81 -0.25 -0.07 0.00 0.00 0.00 179.25 179.73 1f6f h LEU 114 N 0.13 -0.85 -0.80 0.00 3.38 -1.99 -1.16 115.31 114.02 1f6f h LEU 114 Ca -0.28 0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.03 1f6f h LEU 114 Cb 2.14 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 43.22 1f6f h LEU 114 CO 0.25 -0.27 0.32 0.25 0.09 0.00 0.00 178.44 179.07 1f6f h LEU 115 N -0.19 0.28 -0.45 1.67 5.85 -1.89 -1.02 115.31 119.57 1f6f h LEU 115 Ca 0.19 0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.90 1f6f h LEU 115 Cb 0.48 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1f6f h LEU 115 CO -0.51 0.07 -0.23 0.00 -0.34 0.00 0.00 178.44 177.43 1f6f h THR 116 N 0.42 1.27 -0.03 1.05 1.03 -1.37 -2.63 112.91 112.66 1f6f h THR 116 Ca 0.46 -1.39 -0.15 0.00 -0.01 0.00 0.00 66.41 65.32 1f6f h THR 116 Cb 0.76 1.20 -0.01 0.00 -1.07 0.00 0.00 68.15 69.03 1f6f h THR 116 CO -0.45 0.47 -0.67 0.11 -0.01 0.00 0.00 175.52 174.97 1f6f h LYS 117 N 0.78 0.14 -0.55 0.00 1.57 -0.90 -2.88 116.57 114.73 1f6f h LYS 117 Ca 0.10 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1f6f h LYS 117 Cb 0.81 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1f6f h LYS 117 CO 0.07 0.76 0.13 0.00 -0.57 0.00 0.00 179.45 179.83 1f6f h ALA 118 N 1.21 1.19 -0.11 3.86 0.00 -1.11 -0.77 119.26 123.53 1f6f h ALA 118 Ca -0.01 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1f6f h ALA 118 Cb 1.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1f6f h ALA 118 CO 0.10 0.55 -0.61 1.96 0.00 0.00 0.00 179.25 181.25 1f6f h GLN 119 N 0.82 0.38 -0.08 0.00 4.20 -1.40 -2.32 115.11 116.70 1f6f h GLN 119 Ca 0.18 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1f6f h GLN 119 Cb 0.31 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1f6f h GLN 119 CO -0.00 0.87 -0.21 0.93 -0.67 0.00 0.00 178.83 179.75 1f6f h GLU 120 N 0.28 0.29 -0.42 1.46 4.39 -1.25 -2.53 114.58 116.79 1f6f h GLU 120 Ca -0.01 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 1f6f h GLU 120 Cb 1.14 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1f6f h GLU 120 CO 0.10 0.81 0.02 0.97 -1.16 0.00 0.00 179.01 179.75 1f6f h ILE 121 N -0.18 1.22 -0.72 3.13 2.10 -1.17 -0.12 117.51 121.76 1f6f h ILE 121 Ca -0.00 -0.87 -0.06 0.00 1.08 0.00 0.00 64.86 65.01 1f6f h ILE 121 Cb 0.81 0.87 -0.03 0.00 -1.09 0.00 0.00 36.82 37.38 1f6f h ILE 121 CO 0.05 0.30 0.22 0.50 -1.08 0.00 0.00 178.15 178.14 1f6f h LYS 122 N 0.64 1.13 -0.37 2.19 3.64 -1.43 0.04 116.57 122.41 1f6f h LYS 122 Ca 0.13 -0.24 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 1f6f h LYS 122 Cb 0.36 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1f6f h LYS 122 CO 0.01 0.97 -0.40 0.93 -2.27 0.00 0.00 179.45 178.69 1f6f h GLU 123 N 1.07 0.92 0.00 1.90 4.39 -0.98 -3.07 114.58 118.81 1f6f h GLU 123 Ca 0.23 -0.50 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 1f6f h GLU 123 Cb 0.31 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1f6f h GLU 123 CO -0.01 1.15 -0.45 0.87 -1.16 0.00 0.00 179.01 179.41 1f6f h LYS 124 N 0.73 0.00 -0.38 2.33 1.79 -0.87 -2.46 116.57 117.71 1f6f h LYS 124 Ca 0.05 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 1f6f h LYS 124 Cb 1.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 1f6f h LYS 124 CO 0.10 0.45 -0.16 0.00 -1.08 0.00 0.00 179.45 178.76 1f6f h ALA 125 N 1.55 1.00 -0.16 3.86 0.00 -0.96 0.13 119.26 124.68 1f6f h ALA 125 Ca -0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1f6f h ALA 125 Cb 1.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1f6f h ALA 125 CO 0.06 0.60 -0.49 0.87 0.00 0.00 0.00 179.25 180.29 1f6f h LYS 126 N 0.63 0.43 -0.31 0.00 1.57 -1.42 -1.26 116.57 116.22 1f6f h LYS 126 Ca 0.10 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1f6f h LYS 126 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1f6f h LYS 126 CO 0.04 0.83 0.03 0.28 -0.57 0.00 0.00 179.45 180.06 1f6f h VAL 127 N 0.34 1.25 -0.47 0.50 2.07 -1.01 -3.03 116.25 115.90 1f6f h VAL 127 Ca 0.02 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1f6f h VAL 127 Cb 0.98 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1f6f h VAL 127 CO 0.09 0.29 0.19 0.25 0.02 0.00 0.00 177.57 178.40 1f6f h LEU 128 N 0.34 0.65 -1.57 2.57 5.85 -0.53 -2.97 115.31 119.66 1f6f h LEU 128 Ca 0.09 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1f6f h LEU 128 Cb 0.39 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1f6f h LEU 128 CO 0.01 0.65 0.22 -0.37 -0.34 0.00 0.00 178.44 178.60 1f6f h VAL 129 N 0.62 1.11 -0.39 1.05 -1.51 -1.22 -1.29 116.25 114.62 1f6f h VAL 129 Ca 0.16 -0.26 0.03 0.00 -1.23 0.00 0.00 66.70 65.39 1f6f h VAL 129 Cb 0.20 0.60 -0.03 0.00 -2.13 0.00 0.00 31.29 29.92 1f6f h VAL 129 CO -0.01 0.12 0.19 -0.78 -1.23 0.00 0.00 177.57 175.86 1f6f h ASP 130 N 0.51 0.28 -0.30 4.19 3.58 -1.40 -1.29 116.42 122.00 1f6f h ASP 130 Ca 0.13 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1f6f h ASP 130 Cb -0.00 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1f6f h ASP 130 CO -0.02 0.20 -0.03 1.23 -2.88 0.00 0.00 179.24 177.74 1f6f h GLY 131 N 0.39 0.59 1.98 -0.78 0.00 -1.30 -2.36 103.07 101.59 1f6f h GLY 131 Ca 0.16 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1f6f h GLY 131 CO -0.12 0.42 -0.06 -2.08 0.00 0.00 0.00 176.54 174.71 1f6f h VAL 132 N 0.33 1.05 -0.13 4.60 2.07 -0.93 -1.25 116.25 122.00 1f6f h VAL 132 Ca 0.08 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 67.15 1f6f h VAL 132 Cb 0.49 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1f6f h VAL 132 CO 0.02 0.07 -0.73 -0.33 0.02 0.00 0.00 177.57 176.62 1f6f h GLU 133 N 0.02 0.61 -0.46 1.57 5.08 -1.07 -1.92 114.58 118.41 1f6f h GLU 133 Ca 0.01 -0.48 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1f6f h GLU 133 Cb 0.12 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1f6f h GLU 133 CO 0.01 1.11 0.18 0.28 -1.00 0.00 0.00 179.01 179.59 1f6f h VAL 134 N 0.42 1.21 -0.21 3.13 2.07 -0.81 -0.20 116.25 121.86 1f6f h VAL 134 Ca -0.04 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1f6f h VAL 134 Cb 1.33 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1f6f h VAL 134 CO 0.14 0.24 -0.01 0.40 0.02 0.00 0.00 177.57 178.36 1f6f h ILE 135 N 0.61 1.26 -0.84 4.57 2.04 -1.28 -2.49 117.51 121.38 1f6f h ILE 135 Ca 0.15 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1f6f h ILE 135 Cb 0.20 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1f6f h ILE 135 CO -0.01 0.28 0.55 -0.61 0.00 0.00 0.00 178.15 178.36 1f6f h GLN 136 N 0.14 1.12 0.00 2.37 4.15 -1.20 -2.20 115.11 119.49 1f6f h GLN 136 Ca 0.06 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1f6f h GLN 136 Cb 0.42 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1f6f h GLN 136 CO 0.01 0.75 0.00 0.87 -1.93 0.00 0.00 178.83 178.53 1f6f h LYS 137 N 1.15 0.00 0.02 1.69 1.57 -0.97 -1.26 116.57 118.76 1f6f h LYS 137 Ca 0.31 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.84 1f6f h LYS 137 Cb -0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.20 1f6f h LYS 137 CO -0.06 0.00 -1.01 -0.09 -0.57 0.00 0.00 179.45 177.71 1f6f h ARG 138 N 0.00 0.51 0.00 3.15 9.65 -0.94 -3.10 114.38 123.65 1f6f h ARG 138 Ca 0.00 -0.57 -0.32 0.00 -1.10 0.00 0.00 59.98 57.99 1f6f h ARG 138 Cb 0.83 0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 29.52 1f6f h ARG 138 CO 0.00 1.20 -1.95 -0.89 2.80 0.00 0.00 179.97 181.13 1f6f n ILE 139 N -3.77 1.54 -3.56 1.20 5.41 -0.97 -4.69 119.36 114.52 1f6f n ILE 139 Ca -0.09 -0.81 -0.27 0.00 1.00 0.00 0.00 62.75 62.58 1f6f n ILE 139 Cb 0.87 -0.85 -0.10 0.00 -0.71 0.00 0.00 39.64 38.84 1f6f n ILE 139 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1f6f n HIS 140 N -2.95 0.72 -1.69 1.39 8.25 -0.48 -5.12 115.22 115.34 1f6f n HIS 140 Ca -0.23 -3.70 -0.43 0.00 -0.26 0.00 0.00 57.72 53.10 1f6f n HIS 140 Cb 1.09 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 32.07 1f6f n HIS 140 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1f6f n PRO 141 N 2.37 2.15 -2.09 -0.41 -0.02 -1.17 -3.10 135.00 132.73 1f6f n PRO 141 Ca 0.26 0.76 -0.04 0.00 -2.02 0.00 0.00 63.50 62.46 1f6f n PRO 141 Cb 0.44 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1f6f n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f6f n GLY 142 N 1.53 0.20 3.88 -1.23 0.00 -1.26 -5.04 105.19 103.26 1f6f n GLY 142 Ca 0.08 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1f6f n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f6f s GLU 143 N -4.23 3.78 0.00 1.61 0.41 -1.18 -5.08 118.70 114.01 1f6f s GLU 143 Ca 0.00 0.36 0.05 0.00 -0.41 0.00 0.00 54.97 54.97 1f6f s GLU 143 Cb -0.00 -2.49 -0.02 0.00 -1.78 0.00 0.00 34.13 29.84 1f6f s GLU 143 CO 0.00 0.10 -0.16 0.15 -0.49 0.00 0.00 175.26 174.87 1f6f s LYS 144 N -3.49 1.24 -0.14 1.61 1.02 -1.26 -5.06 119.74 113.65 1f6f s LYS 144 Ca 0.49 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.73 1f6f s LYS 144 Cb -0.10 -1.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.94 1f6f s LYS 144 CO 0.27 0.33 0.25 -0.80 -0.92 0.00 0.00 175.35 174.48 1f6f s ASN 145 N -0.58 6.43 0.71 2.83 -0.87 -1.26 -5.09 114.94 117.11 1f6f s ASN 145 Ca 0.06 0.51 -0.06 0.00 -1.57 0.00 0.00 52.86 51.79 1f6f s ASN 145 Cb -0.07 -2.15 0.07 0.00 -0.02 0.00 0.00 41.25 39.08 1f6f s ASN 145 CO -0.00 0.21 1.02 -1.61 -2.57 0.00 0.00 177.10 174.14 1f6f s GLU 146 N -0.06 2.13 0.58 -0.60 0.41 -1.26 -5.04 118.70 114.86 1f6f s GLU 146 Ca 0.16 -0.32 -0.20 0.00 -0.41 0.00 0.00 54.97 54.20 1f6f s GLU 146 Cb -0.13 -2.18 -0.04 0.00 -1.78 0.00 0.00 34.13 30.01 1f6f s GLU 146 CO 0.04 -1.27 1.31 -0.35 -0.49 0.00 0.00 175.26 174.50 1f6f n PRO 147 N -2.93 1.45 -4.40 0.39 -0.04 -1.26 -4.95 135.00 123.26 1f6f n PRO 147 Ca 0.09 0.54 -0.26 0.00 -0.04 0.00 0.00 63.50 63.83 1f6f n PRO 147 Cb 0.60 -2.53 -0.12 0.00 -0.04 0.00 0.00 33.50 31.41 1f6f n PRO 147 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1f6f s TYR 148 N -1.33 2.20 0.96 0.54 -0.85 -1.26 -5.09 117.35 112.52 1f6f s TYR 148 Ca 0.76 -0.38 -0.11 0.00 -0.52 0.00 0.00 57.07 56.81 1f6f s TYR 148 Cb -0.41 -1.09 0.13 0.00 0.38 0.00 0.00 41.96 40.97 1f6f s TYR 148 CO 0.46 0.47 0.87 -0.35 -1.52 0.00 0.00 175.55 175.47 1f6f n PRO 149 N 0.27 -0.64 -4.24 -3.49 -0.04 -1.26 -4.97 135.00 120.62 1f6f n PRO 149 Ca -0.13 -0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.01 1f6f n PRO 149 Cb 0.56 -2.18 -0.12 0.00 -0.04 0.00 0.00 33.50 31.72 1f6f n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1f6f s VAL 150 N -2.53 1.11 -0.61 0.52 1.01 -1.26 -4.76 120.40 113.89 1f6f s VAL 150 Ca 0.64 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1f6f s VAL 150 Cb -0.22 -1.04 0.15 0.00 0.00 0.00 0.00 36.38 35.26 1f6f s VAL 150 CO 0.62 -0.13 0.55 0.86 0.00 0.00 0.00 175.10 177.00 1f6f s TRP 151 N -1.10 3.39 0.29 5.22 -0.00 -1.26 -4.92 118.94 120.56 1f6f s TRP 151 Ca -0.00 -1.53 0.05 0.00 -0.00 0.00 0.00 56.10 54.62 1f6f s TRP 151 Cb -0.09 -3.77 0.42 0.00 -0.00 0.00 0.00 33.47 30.03 1f6f s TRP 151 CO 0.02 -1.01 1.69 0.66 -0.00 0.00 0.00 176.95 178.31 1f6f h SER 152 N 8.56 0.33 0.00 5.86 4.64 -2.00 -2.87 113.55 128.07 1f6f h SER 152 Ca -0.19 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1f6f h SER 152 Cb 1.08 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1f6f h SER 152 CO 0.95 0.68 0.00 -0.62 -0.87 0.00 0.00 176.83 176.98 1f6f n GLU 153 N -4.04 0.75 0.00 4.77 1.02 -1.26 -4.03 120.64 117.84 1f6f n GLU 153 Ca -0.01 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.14 1f6f n GLU 153 Cb 0.47 -1.02 0.07 0.00 -0.02 0.00 0.00 31.44 30.94 1f6f n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f6f n GLN 154 N -0.52 0.00 0.21 3.49 10.64 -1.08 -1.87 117.38 128.25 1f6f n GLN 154 Ca 0.01 0.44 0.07 0.00 -1.83 0.00 0.00 57.00 55.69 1f6f n GLN 154 Cb 0.00 -1.50 0.48 0.00 -0.86 0.00 0.00 30.24 28.36 1f6f n GLN 154 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1f6f h SER 155 N 0.00 0.00 0.00 2.61 4.64 -1.87 -3.02 113.55 115.91 1f6f h SER 155 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f6f h SER 155 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1f6f h SER 155 CO 0.00 0.28 0.10 0.77 -0.87 0.00 0.00 176.83 177.11 1f6f h SER 156 N 0.00 0.00 0.62 4.97 4.64 -1.72 -1.46 113.55 120.59 1f6f h SER 156 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f6f h SER 156 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1f6f h SER 156 CO 0.04 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.93 1f6f h LEU 157 N 0.00 0.00 -1.90 5.97 3.38 -1.77 -2.89 115.31 118.10 1f6f h LEU 157 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f6f h LEU 157 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1f6f h LEU 157 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1f6f n THR 158 N -2.71 0.37 -1.48 0.22 -2.24 -0.55 -4.95 114.28 102.94 1f6f n THR 158 Ca 0.00 -0.69 -0.41 0.00 -2.27 0.00 0.00 64.05 60.69 1f6f n THR 158 Cb 0.20 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.36 1f6f n THR 158 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f6f n SER 159 N 0.34 -0.63 0.16 3.42 2.88 -1.09 -4.87 113.62 113.84 1f6f n SER 159 Ca 0.06 0.89 0.03 0.00 -1.33 0.00 0.00 58.87 58.52 1f6f n SER 159 Cb 0.26 -1.16 0.20 0.00 -0.75 0.00 0.00 64.21 62.76 1f6f n SER 159 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1f6f h GLN 160 N 0.78 0.00 -6.32 -1.46 1.08 -1.96 -3.43 115.11 103.80 1f6f h GLN 160 Ca -0.42 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.21 1f6f h GLN 160 Cb 1.39 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.78 1f6f h GLN 160 CO 0.51 0.47 1.06 0.34 -0.95 0.00 0.00 178.83 180.26 1f6f s ASP 161 N -6.48 6.50 0.21 1.46 -1.08 -1.26 -4.93 116.67 111.08 1f6f s ASP 161 Ca 0.01 1.41 -0.09 0.00 -0.52 0.00 0.00 52.55 53.36 1f6f s ASP 161 Cb 0.10 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.31 1f6f s ASP 161 CO 0.72 -1.19 1.73 -0.33 0.52 0.00 0.00 175.17 176.62 1f6f h GLU 162 N 10.12 0.35 0.16 4.34 5.08 -2.00 -2.73 114.58 129.90 1f6f h GLU 162 Ca -0.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1f6f h GLU 162 Cb 1.13 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1f6f h GLU 162 CO 1.02 0.23 -0.08 -0.91 -1.00 0.00 0.00 179.01 178.27 1f6f h ASN 163 N 0.36 -0.18 -0.23 1.42 2.35 -1.97 -2.10 115.58 115.23 1f6f h ASN 163 Ca 0.31 -0.19 0.07 0.00 -0.55 0.00 0.00 56.30 55.94 1f6f h ASN 163 Cb 0.42 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1f6f h ASN 163 CO -0.34 0.09 0.23 1.62 -1.65 0.00 0.00 177.43 177.37 1f6f h VAL 164 N -0.46 0.55 -0.02 2.81 3.04 -1.93 -1.09 116.25 119.15 1f6f h VAL 164 Ca -0.02 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.53 1f6f h VAL 164 Cb 0.36 0.83 0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1f6f h VAL 164 CO 0.04 0.00 -0.52 -0.09 -1.01 0.00 0.00 177.57 175.99 1f6f h ARG 165 N 0.00 0.39 -0.80 4.17 2.43 -1.30 -2.70 114.38 116.57 1f6f h ARG 165 Ca 0.11 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 1f6f h ARG 165 Cb 0.56 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 1f6f h ARG 165 CO -0.00 1.05 0.41 0.00 -1.51 0.00 0.00 179.97 179.92 1f6f h ARG 166 N -0.12 1.12 0.00 0.20 3.08 -0.51 -1.80 114.38 116.35 1f6f h ARG 166 Ca -0.06 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 1f6f h ARG 166 Cb 1.22 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1f6f h ARG 166 CO 0.10 0.84 -0.44 0.28 -1.07 0.00 0.00 179.97 179.68 1f6f h VAL 167 N 1.12 1.19 -0.29 2.04 2.07 -1.45 -2.29 116.25 118.65 1f6f h VAL 167 Ca 0.28 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1f6f h VAL 167 Cb 0.07 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1f6f h VAL 167 CO -0.04 0.43 0.08 0.00 0.02 0.00 0.00 177.57 178.07 1f6f h ALA 168 N 1.56 0.38 -0.08 1.67 0.00 -0.99 -2.09 119.26 119.71 1f6f h ALA 168 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1f6f h ALA 168 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1f6f h ALA 168 CO 0.06 0.02 -0.48 0.74 0.00 0.00 0.00 179.25 179.59 1f6f h PHE 169 N 0.30 0.23 0.28 0.00 -1.00 -1.37 -1.74 116.94 113.65 1f6f h PHE 169 Ca 0.09 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1f6f h PHE 169 Cb 0.26 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1f6f h PHE 169 CO 0.01 0.64 -0.14 -0.92 -1.61 0.00 0.00 178.31 176.29 1f6f h TYR 170 N 0.16 -0.35 -0.90 -0.55 3.20 -1.16 -1.07 116.97 116.28 1f6f h TYR 170 Ca 0.01 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1f6f h TYR 170 Cb 0.90 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 1f6f h TYR 170 CO 0.01 -0.18 0.59 0.00 -1.64 0.00 0.00 178.16 176.94 1f6f h ARG 171 N -0.43 1.08 0.16 1.82 3.08 -1.32 -2.51 114.38 116.26 1f6f h ARG 171 Ca -0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1f6f h ARG 171 Cb 0.33 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1f6f h ARG 171 CO 0.06 0.71 -0.08 1.25 -1.07 0.00 0.00 179.97 180.85 1f6f h LEU 172 N 1.11 -0.18 -0.51 3.04 5.85 -0.83 -2.25 115.31 121.55 1f6f h LEU 172 Ca 0.37 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.80 1f6f h LEU 172 Cb 0.05 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1f6f h LEU 172 CO -0.12 0.03 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.38 1f6f h PHE 173 N -0.40 0.96 -0.24 1.25 0.05 -1.14 -1.37 116.94 116.06 1f6f h PHE 173 Ca -0.02 -0.28 -0.13 0.00 3.82 0.00 0.00 57.97 61.36 1f6f h PHE 173 Cb 0.31 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 38.05 1f6f h PHE 173 CO -0.01 1.06 -0.39 0.45 -0.18 0.00 0.00 178.31 179.23 1f6f h HIS 174 N 0.66 0.65 -0.05 -0.55 3.86 -1.52 -1.27 115.15 116.93 1f6f h HIS 174 Ca 0.06 -0.18 -0.21 0.00 -1.16 0.00 0.00 60.37 58.87 1f6f h HIS 174 Cb 0.94 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1f6f h HIS 174 CO 0.05 0.86 -0.84 0.00 0.86 0.00 0.00 177.93 178.86 1f6f h LEU 176 N 0.28 0.65 -0.11 0.00 5.85 -1.13 -1.46 115.31 119.40 1f6f h LEU 176 Ca -0.06 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1f6f h LEU 176 Cb 1.45 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1f6f h LEU 176 CO 0.15 0.61 -0.18 -0.74 -0.34 0.00 0.00 178.44 177.94 1f6f h HIS 177 N 0.70 0.39 -0.52 1.25 2.76 -0.99 -2.22 115.15 116.53 1f6f h HIS 177 Ca 0.17 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1f6f h HIS 177 Cb 0.18 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 1f6f h HIS 177 CO 0.01 0.78 0.33 -0.09 -1.30 0.00 0.00 177.93 177.66 1f6f h ARG 178 N -0.12 0.66 0.00 5.26 2.43 -1.12 -2.64 114.38 118.85 1f6f h ARG 178 Ca 0.01 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1f6f h ARG 178 Cb 0.75 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1f6f h ARG 178 CO 0.04 0.44 -0.55 -0.44 -1.51 0.00 0.00 179.97 177.95 1f6f h ASP 179 N 0.68 0.00 -0.56 -3.80 5.19 -1.30 -2.11 116.42 114.52 1f6f h ASP 179 Ca 0.19 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1f6f h ASP 179 Cb -0.06 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1f6f h ASP 179 CO -0.05 0.55 0.16 0.28 -3.12 0.00 0.00 179.24 177.05 1f6f h SER 180 N 0.00 0.83 -0.87 6.45 0.02 -1.27 -1.93 113.55 116.79 1f6f h SER 180 Ca -0.01 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1f6f h SER 180 Cb 1.05 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 1f6f h SER 180 CO 0.07 0.83 0.46 -1.28 -1.14 0.00 0.00 176.83 175.77 1f6f h SER 181 N 0.79 1.10 -0.38 3.07 0.87 -1.27 -2.28 113.55 115.45 1f6f h SER 181 Ca 0.18 -0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 1f6f h SER 181 Cb 0.31 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1f6f h SER 181 CO -0.00 0.90 -0.37 0.11 -0.53 0.00 0.00 176.83 176.93 1f6f h LYS 182 N 1.22 0.94 -0.83 2.24 1.57 -1.16 -1.93 116.57 118.62 1f6f h LYS 182 Ca 0.30 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1f6f h LYS 182 Cb 0.05 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1f6f h LYS 182 CO -0.05 1.14 0.43 0.82 -0.57 0.00 0.00 179.45 181.22 1f6f h ILE 183 N 0.77 1.25 -0.11 1.86 2.04 -1.27 -0.62 117.51 121.44 1f6f h ILE 183 Ca 0.07 -0.66 -0.15 0.00 1.00 0.00 0.00 64.86 65.11 1f6f h ILE 183 Cb 0.96 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1f6f h ILE 183 CO 0.09 0.29 -0.54 0.22 0.00 0.00 0.00 178.15 178.22 1f6f h TYR 184 N 1.16 0.75 -0.21 1.37 3.20 -1.38 -2.26 116.97 119.60 1f6f h TYR 184 Ca 0.29 -0.33 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1f6f h TYR 184 Cb 0.07 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1f6f h TYR 184 CO 0.01 1.12 0.08 1.15 -1.64 0.00 0.00 178.16 178.88 1f6f h THR 185 N 0.17 1.17 -0.87 1.81 2.02 -1.21 -1.60 112.91 114.39 1f6f h THR 185 Ca -0.04 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1f6f h THR 185 Cb 1.18 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 1f6f h THR 185 CO 0.11 0.16 0.52 1.88 0.37 0.00 0.00 175.52 178.57 1f6f h TYR 186 N 0.19 1.15 -0.33 3.16 0.99 -1.17 -0.77 116.97 120.19 1f6f h TYR 186 Ca 0.07 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 1f6f h TYR 186 Cb 0.18 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.52 1f6f h TYR 186 CO -0.01 0.76 -0.22 -0.07 -0.00 0.00 0.00 178.16 178.62 1f6f h LEU 187 N 1.20 0.63 -0.56 3.88 3.38 -1.23 -2.32 115.31 120.28 1f6f h LEU 187 Ca 0.31 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1f6f h LEU 187 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1f6f h LEU 187 CO -0.06 0.84 -0.02 0.03 0.09 0.00 0.00 178.44 179.32 1f6f h ARG 188 N 0.55 1.01 0.04 1.13 3.08 -0.68 -0.90 114.38 118.61 1f6f h ARG 188 Ca 0.08 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1f6f h ARG 188 Cb 0.68 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1f6f h ARG 188 CO 0.05 1.02 -0.03 0.82 -1.07 0.00 0.00 179.97 180.76 1f6f h ILE 189 N 0.90 0.94 -0.79 2.04 2.04 -1.02 -0.34 117.51 121.28 1f6f h ILE 189 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 1f6f h ILE 189 Cb 0.58 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1f6f h ILE 189 CO 0.03 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.55 1f6f h LEU 190 N -0.07 0.99 -0.09 1.44 3.38 -1.36 -1.12 115.31 118.48 1f6f h LEU 190 Ca -0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1f6f h LEU 190 Cb 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1f6f h LEU 190 CO 0.00 0.80 0.04 0.50 0.09 0.00 0.00 178.44 179.87 1f6f h LYS 191 N 1.10 0.14 -0.36 1.13 3.64 -0.94 0.12 116.57 121.39 1f6f h LYS 191 Ca 0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1f6f h LYS 191 Cb 0.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1f6f h LYS 191 CO -0.05 0.25 0.15 0.00 -2.27 0.00 0.00 179.45 177.53 1f6f h ARG 193 N 0.51 0.41 0.00 0.00 2.43 -0.96 -3.37 114.38 113.40 1f6f h ARG 193 Ca 0.13 -0.70 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1f6f h ARG 193 Cb 0.10 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1f6f h ARG 193 CO -0.01 1.34 -0.65 1.28 -1.51 0.00 0.00 179.97 180.42 1f6f n LEU 194 N -3.94 0.69 0.00 3.80 4.77 0.38 -4.96 117.00 117.74 1f6f n LEU 194 Ca -0.15 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1f6f n LEU 194 Cb 0.95 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1f6f n LEU 194 CO 0.54 -0.05 0.00 0.35 -1.33 0.00 0.00 177.39 176.90 1f6f n THR 195 N -2.10 0.00 -4.80 -5.08 -2.24 -0.51 -5.04 114.28 94.52 1f6f n THR 195 Ca 0.03 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.52 1f6f n THR 195 Cb 0.44 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.50 1f6f n THR 195 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1f6f s SER 196 N 1.18 2.50 0.00 3.42 0.01 -1.23 -4.84 113.70 114.73 1f6f s SER 196 Ca 0.00 -0.44 0.30 0.00 1.31 0.00 0.00 55.95 57.11 1f6f s SER 196 Cb 0.00 -1.14 1.41 0.00 0.21 0.00 0.00 66.02 66.50 1f6f s SER 196 CO 0.00 0.08 1.95 0.00 0.41 0.00 0.00 173.24 175.68