#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krf s PHE 2 N 0.00 3.68 -1.02 3.17 0.40 -1.26 -4.64 117.98 118.31 3krf s PHE 2 Ca 0.00 0.86 -0.14 0.00 -0.60 0.00 0.00 56.93 57.05 3krf s PHE 2 Cb 0.00 -2.21 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 3krf s PHE 2 CO 0.00 0.64 0.75 -3.47 0.70 0.00 0.00 175.22 173.84 3krf n ASP 3 N 1.96 -5.66 -0.13 1.36 2.03 -1.26 -4.89 116.55 109.97 3krf n ASP 3 Ca -0.15 -0.86 -0.09 0.00 0.52 0.00 0.00 54.79 54.20 3krf n ASP 3 Cb 0.53 -3.39 -0.01 0.00 -0.72 0.00 0.00 41.12 37.53 3krf n ASP 3 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3krf h PHE 4 N -1.25 0.61 -0.58 -0.67 3.57 -2.00 -2.25 116.94 114.36 3krf h PHE 4 Ca -0.56 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 60.94 3krf h PHE 4 Cb 1.31 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 3krf h PHE 4 CO 0.30 0.56 0.32 -0.44 -2.23 0.00 0.00 178.31 176.82 3krf h ASP 5 N 0.48 0.49 -0.87 0.41 3.32 -1.99 -1.19 116.42 117.07 3krf h ASP 5 Ca 0.13 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3krf h ASP 5 Cb 0.22 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3krf h ASP 5 CO -0.01 0.33 0.49 1.23 -1.72 0.00 0.00 179.24 179.56 3krf h GLY 6 N 0.62 1.30 0.92 2.75 0.00 -1.90 -0.02 103.07 106.74 3krf h GLY 6 Ca 0.25 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3krf h GLY 6 CO -0.15 0.56 0.10 -1.82 0.00 0.00 0.00 176.54 175.23 3krf h TYR 7 N 1.22 0.32 -0.26 5.60 3.20 -0.76 0.80 116.97 127.09 3krf h TYR 7 Ca 0.31 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 3krf h TYR 7 Cb 0.02 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3krf h TYR 7 CO 0.01 0.32 -0.13 0.52 -1.64 0.00 0.00 178.16 177.24 3krf h MET 8 N 0.22 0.44 -0.10 1.82 2.86 -0.96 -1.88 114.93 117.33 3krf h MET 8 Ca 0.08 -0.12 -0.17 0.00 -2.06 0.00 0.00 59.70 57.42 3krf h MET 8 Cb 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3krf h MET 8 CO -0.01 0.58 -0.64 1.25 1.06 0.00 0.00 176.91 179.14 3krf h LEU 9 N 0.41 0.45 -0.45 1.22 5.85 -0.66 -0.76 115.31 121.38 3krf h LEU 9 Ca 0.08 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 3krf h LEU 9 Cb 0.48 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3krf h LEU 9 CO 0.03 0.98 -0.10 0.03 -0.34 0.00 0.00 178.44 179.03 3krf h ARG 10 N 0.29 0.86 0.06 1.25 3.08 -0.30 -2.47 114.38 117.15 3krf h ARG 10 Ca -0.01 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 3krf h ARG 10 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3krf h ARG 10 CO 0.11 0.97 -0.03 0.87 -1.07 0.00 0.00 179.97 180.82 3krf h LYS 11 N 0.70 -0.08 -0.86 0.04 1.79 -1.28 -2.02 116.57 114.86 3krf h LYS 11 Ca 0.11 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.70 3krf h LYS 11 Cb 0.64 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.25 3krf h LYS 11 CO 0.04 0.02 0.56 0.00 -1.08 0.00 0.00 179.45 178.99 3krf h ALA 12 N 0.77 1.74 0.39 3.86 0.00 -1.07 -1.44 119.26 123.51 3krf h ALA 12 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3krf h ALA 12 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3krf h ALA 12 CO 0.01 0.06 -0.19 -0.22 0.00 0.00 0.00 179.25 178.92 3krf h LYS 13 N 0.77 -0.50 0.00 0.00 3.11 -1.26 0.32 116.57 119.01 3krf h LYS 13 Ca 0.41 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 58.23 3krf h LYS 13 Cb 0.52 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 3krf h LYS 13 CO -0.17 -0.23 -0.24 0.66 -2.81 0.00 0.00 179.45 176.65 3krf h SER 14 N -0.72 0.00 -0.08 4.20 4.64 -0.90 -1.27 113.55 119.42 3krf h SER 14 Ca -0.05 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3krf h SER 14 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3krf h SER 14 CO 0.09 0.24 -0.20 0.58 -0.87 0.00 0.00 176.83 176.67 3krf h VAL 15 N 0.00 1.42 -0.68 0.95 2.07 -1.17 -1.90 116.25 116.94 3krf h VAL 15 Ca -0.00 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.00 3krf h VAL 15 Cb 0.58 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 3krf h VAL 15 CO 0.03 0.44 0.45 0.78 0.02 0.00 0.00 177.57 179.29 3krf h ASN 16 N -0.22 0.69 -0.07 0.57 2.35 0.04 0.39 115.58 119.33 3krf h ASN 16 Ca -0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3krf h ASN 16 Cb 0.81 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 3krf h ASN 16 CO 0.04 0.48 0.03 0.50 -1.65 0.00 0.00 177.43 176.83 3krf h LYS 17 N 0.80 0.11 -0.23 0.81 1.63 -1.19 -1.08 116.57 117.43 3krf h LYS 17 Ca 0.27 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.95 3krf h LYS 17 Cb 0.08 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3krf h LYS 17 CO -0.08 0.25 -0.27 0.00 -3.45 0.00 0.00 179.45 175.90 3krf h ALA 18 N 0.86 1.11 -0.19 5.00 0.00 -0.50 -1.66 119.26 123.89 3krf h ALA 18 Ca 0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3krf h ALA 18 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3krf h ALA 18 CO -0.00 0.56 0.10 -0.07 0.00 0.00 0.00 179.25 179.83 3krf h LEU 19 N 0.39 0.24 -0.67 0.00 3.38 -0.05 -0.98 115.31 117.62 3krf h LEU 19 Ca 0.06 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3krf h LEU 19 Cb 0.68 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3krf h LEU 19 CO 0.05 0.27 0.36 -0.08 0.09 0.00 0.00 178.44 179.13 3krf h GLU 20 N 0.19 0.65 -0.35 1.13 4.57 -0.77 -0.14 114.58 119.85 3krf h GLU 20 Ca 0.06 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.08 3krf h GLU 20 Cb 0.09 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3krf h GLU 20 CO -0.01 0.43 -0.29 0.00 -1.18 0.00 0.00 179.01 177.96 3krf h ALA 21 N 1.36 0.83 -0.14 2.92 0.00 -1.18 -3.27 119.26 119.78 3krf h ALA 21 Ca 0.30 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3krf h ALA 21 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3krf h ALA 21 CO -0.19 0.64 -0.35 0.00 0.00 0.00 0.00 179.25 179.35 3krf h ALA 22 N 1.04 1.16 -3.14 0.00 0.00 0.36 -3.38 119.26 115.30 3krf h ALA 22 Ca 0.08 -0.37 -0.62 0.00 0.00 0.00 0.00 54.91 53.99 3krf h ALA 22 Cb 0.81 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.10 3krf h ALA 22 CO 0.07 0.55 -0.70 0.08 0.00 0.00 0.00 179.25 179.25 3krf s VAL 23 N -4.28 1.84 0.34 0.00 1.01 -0.80 -5.10 120.40 113.41 3krf s VAL 23 Ca -0.05 -2.82 -0.07 0.00 0.00 0.00 0.00 61.98 59.03 3krf s VAL 23 Cb 0.14 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 3krf s VAL 23 CO 0.77 -0.85 0.65 -1.10 0.00 0.00 0.00 175.10 174.56 3krf s GLN 24 N 0.13 3.70 0.27 2.72 -1.52 -1.26 -4.81 119.66 118.89 3krf s GLN 24 Ca 0.17 0.21 -0.30 0.00 -1.95 0.00 0.00 55.36 53.50 3krf s GLN 24 Cb -0.25 -2.53 -0.10 0.00 -0.22 0.00 0.00 33.01 29.91 3krf s GLN 24 CO 0.00 0.10 1.39 -1.64 -0.25 0.00 0.00 175.29 174.89 3krf s MET 25 N -3.69 4.30 0.08 2.91 -1.94 -1.26 -4.94 119.30 114.77 3krf s MET 25 Ca 0.47 2.25 -0.27 0.00 -1.71 0.00 0.00 55.69 56.43 3krf s MET 25 Cb -0.11 -3.11 0.09 0.00 2.01 0.00 0.00 34.83 33.71 3krf s MET 25 CO 0.31 -0.33 1.05 -1.59 -0.01 0.00 0.00 175.02 174.44 3krf s LYS 26 N -0.79 0.91 0.22 2.03 -2.85 -1.26 -5.10 119.74 112.90 3krf s LYS 26 Ca 0.56 -0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 54.74 3krf s LYS 26 Cb -0.41 0.32 -0.09 0.00 -2.06 0.00 0.00 37.83 35.60 3krf s LYS 26 CO 0.46 -0.42 1.28 -1.21 0.10 0.00 0.00 175.35 175.56 3krf s GLU 27 N -3.01 4.42 -0.04 1.78 0.41 -1.26 -2.43 118.70 118.56 3krf s GLU 27 Ca 0.12 2.03 -0.30 0.00 -0.41 0.00 0.00 54.97 56.41 3krf s GLU 27 Cb 0.00 -3.18 -0.03 0.00 -1.78 0.00 0.00 34.13 29.14 3krf s GLU 27 CO -0.01 -0.19 1.10 -1.25 -0.49 0.00 0.00 175.26 174.42 3krf s PRO 28 N -0.45 4.42 0.27 0.39 0.04 -1.26 -5.01 135.00 133.40 3krf s PRO 28 Ca 0.54 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3krf s PRO 28 Cb -0.36 -3.50 0.53 0.00 0.04 0.00 0.00 34.50 31.21 3krf s PRO 28 CO 0.40 -0.30 1.81 -0.07 0.04 0.00 0.00 177.00 178.87 3krf h LEU 29 N 7.68 0.77 -1.22 -3.56 3.38 -1.92 -2.40 115.31 118.04 3krf h LEU 29 Ca -0.35 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3krf h LEU 29 Cb 1.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3krf h LEU 29 CO 0.84 0.38 -0.30 0.11 0.09 0.00 0.00 178.44 179.56 3krf h LYS 30 N 0.84 0.15 0.05 1.13 1.57 -1.98 0.57 116.57 118.89 3krf h LYS 30 Ca 0.48 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3krf h LYS 30 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3krf h LYS 30 CO -0.30 0.44 -0.03 0.82 -0.57 0.00 0.00 179.45 179.82 3krf h ILE 31 N 0.13 1.25 -0.23 1.86 1.08 -1.78 -1.51 117.51 118.31 3krf h ILE 31 Ca 0.02 -1.08 -0.10 0.00 -0.39 0.00 0.00 64.86 63.31 3krf h ILE 31 Cb 0.60 1.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 3krf h ILE 31 CO 0.04 0.27 -0.27 0.45 -0.69 0.00 0.00 178.15 177.95 3krf h HIS 32 N -0.56 0.51 -0.64 1.37 3.86 -1.18 -1.34 115.15 117.18 3krf h HIS 32 Ca -0.01 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 3krf h HIS 32 Cb 0.49 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 3krf h HIS 32 CO 0.09 0.68 0.16 1.49 0.86 0.00 0.00 177.93 181.21 3krf h GLU 33 N 0.40 1.02 -0.24 2.45 4.81 0.14 -2.33 114.58 120.82 3krf h GLU 33 Ca 0.06 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 58.95 3krf h GLU 33 Cb 0.68 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3krf h GLU 33 CO 0.05 0.91 -0.28 1.03 -0.73 0.00 0.00 179.01 179.99 3krf h SER 34 N 0.94 0.49 -0.30 1.04 0.87 -0.73 -1.22 113.55 114.64 3krf h SER 34 Ca 0.20 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3krf h SER 34 Cb 0.35 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3krf h SER 34 CO 0.00 0.76 0.12 0.24 -0.53 0.00 0.00 176.83 177.42 3krf h MET 35 N 0.42 0.45 -0.09 2.24 2.86 -0.89 -3.20 114.93 116.73 3krf h MET 35 Ca 0.06 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 3krf h MET 35 Cb 0.71 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 3krf h MET 35 CO 0.05 0.46 -0.62 0.00 1.06 0.00 0.00 176.91 177.87 3krf h ARG 36 N 0.34 0.31 -0.54 1.72 3.08 -1.26 -1.50 114.38 116.53 3krf h ARG 36 Ca 0.10 -0.22 0.10 0.00 0.07 0.00 0.00 59.98 60.03 3krf h ARG 36 Cb 0.18 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.16 3krf h ARG 36 CO -0.01 0.83 -0.34 -0.92 -1.07 0.00 0.00 179.97 178.46 3krf h TYR 37 N 0.23 -0.94 0.12 3.04 5.03 -1.22 0.18 116.97 123.41 3krf h TYR 37 Ca -0.01 0.07 -0.24 0.00 2.58 0.00 0.00 58.73 61.13 3krf h TYR 37 Cb 1.14 0.49 0.01 0.00 1.55 0.00 0.00 36.73 39.92 3krf h TYR 37 CO 0.03 -0.38 -1.18 0.77 -1.32 0.00 0.00 178.16 176.07 3krf h SER 38 N -0.19 0.41 -0.75 -2.11 0.02 -1.58 -3.30 113.55 106.05 3krf h SER 38 Ca 0.21 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 3krf h SER 38 Cb 0.55 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 3krf h SER 38 CO -0.64 1.53 0.48 0.25 -1.14 0.00 0.00 176.83 177.30 3krf h LEU 39 N -0.34 0.87 -2.12 5.07 5.85 -1.18 -3.01 115.31 120.45 3krf h LEU 39 Ca -0.24 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3krf h LEU 39 Cb 1.71 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.52 3krf h LEU 39 CO 0.09 0.65 0.00 0.18 -0.34 0.00 0.00 178.44 179.02 3krf n LEU 40 N -4.54 3.10 0.00 2.25 4.77 0.61 -4.37 117.00 118.82 3krf n LEU 40 Ca 0.07 -1.55 0.02 0.00 -0.03 0.00 0.00 56.01 54.51 3krf n LEU 40 Cb 0.03 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 40.82 3krf n LEU 40 CO 0.36 0.74 0.27 0.00 -1.33 0.00 0.00 177.39 177.43 3krf n ALA 41 N 1.10 1.81 -1.20 -1.18 0.00 -1.14 -4.93 120.51 114.97 3krf n ALA 41 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3krf n ALA 41 Cb 0.50 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3krf n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krf n GLY 42 N -0.28 -4.30 0.45 0.00 0.00 -1.26 -5.10 105.19 94.70 3krf n GLY 42 Ca 0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 46.02 45.29 3krf n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krf n GLY 43 N -0.55 1.28 0.10 -0.02 0.00 -1.26 -5.03 105.19 99.70 3krf n GLY 43 Ca 0.00 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.19 3krf n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3krf n LYS 44 N -0.08 0.21 -3.25 1.61 4.81 -1.26 -4.91 118.16 115.28 3krf n LYS 44 Ca -0.00 0.28 -0.23 0.00 -0.87 0.00 0.00 58.31 57.48 3krf n LYS 44 Cb 0.07 -1.79 0.02 0.00 0.02 0.00 0.00 35.03 33.34 3krf n LYS 44 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3krf n ARG 45 N -2.17 -4.30 -0.33 1.64 5.12 -1.26 -4.72 116.66 110.64 3krf n ARG 45 Ca 0.04 0.68 0.03 0.00 -1.93 0.00 0.00 57.85 56.67 3krf n ARG 45 Cb 0.34 -5.48 0.17 0.00 -1.16 0.00 0.00 32.46 26.33 3krf n ARG 45 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3krf h VAL 46 N -1.26 1.02 0.14 1.55 2.07 -1.97 -2.04 116.25 115.75 3krf h VAL 46 Ca -0.49 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3krf h VAL 46 Cb 1.33 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3krf h VAL 46 CO 0.56 0.18 -0.07 0.03 0.02 0.00 0.00 177.57 178.29 3krf h ARG 47 N 1.01 -0.18 -0.80 1.57 3.08 -1.95 0.20 114.38 117.32 3krf h ARG 47 Ca 0.41 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.52 3krf h ARG 47 Cb 0.25 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3krf h ARG 47 CO -0.20 -0.01 0.50 -1.35 -1.07 0.00 0.00 179.97 177.84 3krf h PRO 48 N -0.31 0.93 -0.44 0.04 0.11 -1.70 -2.02 132.00 128.60 3krf h PRO 48 Ca -0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3krf h PRO 48 Cb 0.25 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3krf h PRO 48 CO 0.03 0.61 0.29 1.98 -0.21 0.00 0.00 178.00 180.71 3krf h MET 49 N 0.96 0.59 -0.55 1.05 1.85 -0.97 0.67 114.93 118.52 3krf h MET 49 Ca 0.33 -0.04 0.06 0.00 -0.61 0.00 0.00 59.70 59.44 3krf h MET 49 Cb 0.06 -0.13 -0.05 0.00 0.43 0.00 0.00 31.60 31.91 3krf h MET 49 CO -0.13 0.39 0.27 -0.07 -0.40 0.00 0.00 176.91 176.97 3krf h LEU 50 N 0.60 0.37 0.28 3.39 3.38 0.01 0.39 115.31 123.72 3krf h LEU 50 Ca 0.16 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3krf h LEU 50 Cb -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3krf h LEU 50 CO -0.03 0.24 -0.13 0.00 0.09 0.00 0.00 178.44 178.61 3krf h ILE 52 N -0.44 0.97 -0.94 0.00 2.04 -0.46 -1.69 117.51 116.99 3krf h ILE 52 Ca -0.04 -0.11 0.10 0.00 1.00 0.00 0.00 64.86 65.81 3krf h ILE 52 Cb 0.33 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 3krf h ILE 52 CO 0.06 0.03 0.59 0.00 0.00 0.00 0.00 178.15 178.82 3krf h ALA 53 N 0.80 1.37 -0.24 1.87 0.00 -0.18 -0.91 119.26 121.97 3krf h ALA 53 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3krf h ALA 53 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3krf h ALA 53 CO 0.01 0.25 -0.45 0.00 0.00 0.00 0.00 179.25 179.07 3krf h ALA 54 N 1.48 0.78 -0.23 0.00 0.00 -0.99 0.17 119.26 120.47 3krf h ALA 54 Ca 0.44 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3krf h ALA 54 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3krf h ALA 54 CO -0.23 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 3krf h GLU 56 N 0.17 0.40 -0.81 0.00 5.08 -1.07 0.29 114.58 118.64 3krf h GLU 56 Ca 0.06 -0.17 0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3krf h GLU 56 Cb 0.43 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 3krf h GLU 56 CO 0.01 0.70 0.53 1.25 -1.00 0.00 0.00 179.01 180.50 3krf h LEU 57 N 0.34 0.57 -3.29 1.33 5.85 -0.49 -1.37 115.31 118.26 3krf h LEU 57 Ca 0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3krf h LEU 57 Cb 0.77 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3krf h LEU 57 CO 0.06 0.31 0.00 1.33 -0.34 0.00 0.00 178.44 179.80 3krf n VAL 58 N -4.52 2.17 0.00 1.05 0.24 -1.06 -4.69 118.33 111.52 3krf n VAL 58 Ca 0.15 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 3krf n VAL 58 Cb 0.43 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 3krf n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3krf n GLY 59 N 0.63 0.18 3.03 7.63 0.00 -0.52 -4.67 105.19 111.47 3krf n GLY 59 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 3krf n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krf n GLY 60 N -1.87 -1.89 3.32 -0.02 0.00 0.10 -4.93 105.19 99.91 3krf n GLY 60 Ca 0.00 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 3krf n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3krf s ASP 61 N -4.58 2.57 0.32 1.61 1.47 -1.26 -4.15 116.67 112.64 3krf s ASP 61 Ca 0.60 -0.87 0.09 0.00 1.18 0.00 0.00 52.55 53.55 3krf s ASP 61 Cb -0.03 -0.14 0.86 0.00 -0.34 0.00 0.00 42.92 43.27 3krf s ASP 61 CO 0.43 -0.06 1.74 -0.08 0.68 0.00 0.00 175.17 177.88 3krf h GLU 62 N 3.23 0.59 -0.37 2.11 4.81 -1.95 -2.22 114.58 120.79 3krf h GLU 62 Ca -0.41 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 3krf h GLU 62 Cb 1.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3krf h GLU 62 CO 0.52 0.39 0.13 1.03 -0.73 0.00 0.00 179.01 180.35 3krf h SER 63 N 0.61 0.15 -0.60 1.04 0.87 -1.99 -0.28 113.55 113.35 3krf h SER 63 Ca 0.63 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 61.20 3krf h SER 63 Cb 1.17 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 3krf h SER 63 CO -0.46 0.12 0.26 0.74 -0.53 0.00 0.00 176.83 176.96 3krf h THR 64 N 0.29 1.22 0.00 2.23 2.02 -1.65 -3.11 112.91 113.90 3krf h THR 64 Ca 0.17 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3krf h THR 64 Cb 0.14 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3krf h THR 64 CO -0.16 0.27 -0.31 0.00 0.37 0.00 0.00 175.52 175.69 3krf n ALA 65 N -2.45 2.99 -0.19 6.16 0.00 -0.97 -4.39 120.51 121.67 3krf n ALA 65 Ca 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 3krf n ALA 65 Cb 0.16 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.43 3krf n ALA 65 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3krf h MET 66 N 0.00 0.42 -0.40 0.00 4.05 -0.99 0.42 114.93 118.44 3krf h MET 66 Ca 0.00 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3krf h MET 66 Cb 0.53 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 3krf h MET 66 CO 0.00 0.28 0.25 -1.35 0.23 0.00 0.00 176.91 176.31 3krf h PRO 67 N 0.43 0.53 -0.45 0.39 0.11 -1.80 -0.12 132.00 131.09 3krf h PRO 67 Ca 0.27 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 3krf h PRO 67 Cb 0.28 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3krf h PRO 67 CO -0.25 0.38 0.27 0.00 -0.21 0.00 0.00 178.00 178.19 3krf h ALA 68 N 1.12 1.63 -0.48 -0.75 0.00 -1.74 0.20 119.26 119.24 3krf h ALA 68 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3krf h ALA 68 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3krf h ALA 68 CO -0.03 0.33 0.06 0.00 0.00 0.00 0.00 179.25 179.61 3krf h ALA 69 N 1.68 0.64 -0.65 0.00 0.00 0.56 -1.92 119.26 119.57 3krf h ALA 69 Ca 0.16 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3krf h ALA 69 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3krf h ALA 69 CO -0.03 0.39 0.19 0.00 0.00 0.00 0.00 179.25 179.80 3krf h ALA 71 N 1.07 -0.34 0.00 0.00 0.00 -0.10 0.71 119.26 120.60 3krf h ALA 71 Ca 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3krf h ALA 71 Cb 0.32 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3krf h ALA 71 CO -0.00 -0.72 -0.08 -0.39 0.00 0.00 0.00 179.25 178.05 3krf h VAL 72 N -0.38 0.91 -0.03 0.00 -1.51 -1.31 0.82 116.25 114.75 3krf h VAL 72 Ca 0.01 -0.29 -0.16 0.00 -1.23 0.00 0.00 66.70 65.03 3krf h VAL 72 Cb 0.38 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 3krf h VAL 72 CO -0.08 0.08 -0.71 -0.08 -1.23 0.00 0.00 177.57 175.55 3krf h GLU 73 N 0.00 0.18 0.14 5.19 4.57 -1.23 -1.33 114.58 122.10 3krf h GLU 73 Ca -0.00 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 3krf h GLU 73 Cb 0.16 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3krf h GLU 73 CO 0.01 0.81 -0.07 0.52 -1.18 0.00 0.00 179.01 179.11 3krf h MET 74 N 0.12 -0.18 0.18 1.92 2.86 0.14 0.30 114.93 120.29 3krf h MET 74 Ca -0.02 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3krf h MET 74 Cb 1.26 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3krf h MET 74 CO 0.11 -0.07 -0.09 0.82 1.06 0.00 0.00 176.91 178.74 3krf h ILE 75 N -0.23 0.85 -0.52 -1.22 1.08 -1.15 -1.27 117.51 115.05 3krf h ILE 75 Ca -0.02 -0.12 0.11 0.00 -0.39 0.00 0.00 64.86 64.43 3krf h ILE 75 Cb 0.18 0.93 -0.10 0.00 -3.07 0.00 0.00 36.82 34.76 3krf h ILE 75 CO 0.03 0.03 -0.14 -0.74 -0.69 0.00 0.00 178.15 176.64 3krf h HIS 76 N -0.30 -0.31 -0.39 1.37 2.76 -1.20 0.47 115.15 117.54 3krf h HIS 76 Ca -0.02 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3krf h HIS 76 Cb 0.24 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3krf h HIS 76 CO -0.05 -0.24 0.22 1.15 -1.30 0.00 0.00 177.93 177.72 3krf h THR 77 N -0.01 1.14 0.00 6.26 2.02 -0.64 -2.31 112.91 119.36 3krf h THR 77 Ca 0.25 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3krf h THR 77 Cb 0.40 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3krf h THR 77 CO -0.55 0.14 -0.13 0.00 0.37 0.00 0.00 175.52 175.36 3krf h MET 78 N 0.50 0.00 -0.15 6.66 -0.00 -0.68 -1.65 114.93 119.60 3krf h MET 78 Ca 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.68 3krf h MET 78 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 3krf h MET 78 CO -0.02 0.13 -0.55 0.66 -0.00 0.00 0.00 176.91 177.12 3krf h SER 79 N 0.00 0.51 0.00 -0.10 4.64 -0.50 -2.35 113.55 115.75 3krf h SER 79 Ca -0.00 -0.27 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 3krf h SER 79 Cb 0.71 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3krf h SER 79 CO 0.02 0.96 -0.39 -0.07 -0.87 0.00 0.00 176.83 176.48 3krf h LEU 80 N 0.35 0.52 -0.72 5.97 3.38 -1.03 -2.27 115.31 121.52 3krf h LEU 80 Ca 0.01 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3krf h LEU 80 Cb 1.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3krf h LEU 80 CO 0.10 0.86 -0.35 0.24 0.09 0.00 0.00 178.44 179.38 3krf h MET 81 N 0.41 0.58 0.04 1.13 2.86 -1.06 -2.30 114.93 116.59 3krf h MET 81 Ca 0.04 -0.27 -0.27 0.00 -2.06 0.00 0.00 59.70 57.14 3krf h MET 81 Cb 0.86 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.53 3krf h MET 81 CO 0.07 0.85 -1.08 0.45 1.06 0.00 0.00 176.91 178.26 3krf h HIS 82 N 0.49 0.88 -0.16 -0.22 3.86 -1.48 -3.28 115.15 115.24 3krf h HIS 82 Ca 0.05 -0.51 -0.10 0.00 -1.16 0.00 0.00 60.37 58.65 3krf h HIS 82 Cb 0.84 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 3krf h HIS 82 CO 0.03 1.35 -0.34 0.22 0.86 0.00 0.00 177.93 180.05 3krf h ASP 83 N 0.30 0.34 0.62 2.45 3.58 -1.34 -2.81 116.42 119.56 3krf h ASP 83 Ca -0.13 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3krf h ASP 83 Cb 1.74 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.70 3krf h ASP 83 CO 0.20 0.66 0.00 0.47 -2.88 0.00 0.00 179.24 177.69 3krf n ASP 84 N -4.08 0.35 -4.66 2.28 8.00 -0.87 -1.12 116.55 116.45 3krf n ASP 84 Ca -0.01 0.59 -0.36 0.00 0.71 0.00 0.00 54.79 55.72 3krf n ASP 84 Cb 0.44 -0.66 0.08 0.00 -0.02 0.00 0.00 41.12 40.96 3krf n ASP 84 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3krf n LEU 85 N -1.89 4.49 -0.32 0.64 4.77 -1.06 -0.44 117.00 123.18 3krf n LEU 85 Ca 0.03 0.72 0.11 0.00 -0.03 0.00 0.00 56.01 56.83 3krf n LEU 85 Cb 0.20 -1.47 0.28 0.00 -2.33 0.00 0.00 43.42 40.10 3krf n LEU 85 CO 0.17 -1.64 1.14 -0.65 -1.33 0.00 0.00 177.39 175.08 3krf h PRO 86 N -0.04 0.64 0.00 3.23 0.11 -1.90 0.35 132.00 134.40 3krf h PRO 86 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3krf h PRO 86 Cb 1.33 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3krf h PRO 86 CO 0.49 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 3krf n MET 88 N -1.67 0.00 0.00 0.00 2.81 0.60 -4.91 117.12 113.95 3krf n MET 88 Ca 0.06 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.04 3krf n MET 88 Cb 0.30 0.00 0.49 0.00 -0.71 0.00 0.00 33.22 33.30 3krf n MET 88 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3krf n ASP 89 N 0.00 0.00 -3.95 7.83 8.00 -0.28 -4.91 116.55 123.24 3krf n ASP 89 Ca 0.00 0.10 -0.27 0.00 0.71 0.00 0.00 54.79 55.32 3krf n ASP 89 Cb 0.00 -0.33 -0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3krf n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3krf n ASN 90 N -1.33 -1.78 -4.76 -2.24 4.05 0.91 -4.97 115.26 105.15 3krf n ASN 90 Ca 0.09 -0.93 -0.40 0.00 0.45 0.00 0.00 54.58 53.78 3krf n ASN 90 Cb 0.17 -3.33 -0.05 0.00 1.23 0.00 0.00 39.78 37.80 3krf n ASN 90 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3krf s ASP 91 N -3.99 7.31 0.01 1.20 -0.00 0.42 -4.85 116.67 116.77 3krf s ASP 91 Ca 0.25 1.56 0.22 0.00 -0.00 0.00 0.00 52.55 54.58 3krf s ASP 91 Cb -0.13 -2.49 -0.16 0.00 -0.00 0.00 0.00 42.92 40.14 3krf s ASP 91 CO 0.87 0.10 0.82 0.47 -0.00 0.00 0.00 175.17 177.43 3krf n ASP 92 N 2.26 0.56 -4.13 0.27 10.43 -1.26 -4.66 116.55 120.02 3krf n ASP 92 Ca -0.04 -0.41 -0.09 0.00 2.57 0.00 0.00 54.79 56.83 3krf n ASP 92 Cb 0.49 1.22 -0.10 0.00 1.84 0.00 0.00 41.12 44.58 3krf n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3krf s LEU 93 N -3.80 2.48 -0.29 0.64 1.43 -1.26 -1.80 118.68 116.08 3krf s LEU 93 Ca 0.02 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.06 3krf s LEU 93 Cb 0.15 0.08 0.16 0.00 0.03 0.00 0.00 46.19 46.61 3krf s LEU 93 CO 0.86 -0.54 0.59 -0.60 0.23 0.00 0.00 176.35 176.89 3krf s ARG 94 N -3.88 0.55 -1.39 1.70 3.52 -0.91 -4.75 118.95 113.78 3krf s ARG 94 Ca 0.10 1.12 -0.06 0.00 -0.13 0.00 0.00 55.73 56.76 3krf s ARG 94 Cb 0.07 0.57 0.01 0.00 -1.56 0.00 0.00 34.95 34.04 3krf s ARG 94 CO -0.07 -0.47 0.74 2.89 -0.81 0.00 0.00 175.30 177.58 3krf n ARG 95 N 5.43 -5.50 -0.96 5.12 1.85 -1.26 -2.85 116.66 118.49 3krf n ARG 95 Ca -0.05 0.82 0.00 0.00 -1.00 0.00 0.00 57.85 57.62 3krf n ARG 95 Cb 0.50 -5.60 0.00 0.00 -1.05 0.00 0.00 32.46 26.31 3krf n ARG 95 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3krf n GLY 96 N -1.62 0.87 3.34 2.89 0.00 -1.26 -5.03 105.19 104.38 3krf n GLY 96 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 3krf n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krf s LYS 97 N -0.10 1.29 0.30 1.61 3.01 -1.13 -5.10 119.74 119.62 3krf s LYS 97 Ca 0.00 -1.26 -0.27 0.00 -1.01 0.00 0.00 55.97 53.43 3krf s LYS 97 Cb 0.00 -1.69 -0.14 0.00 -1.01 0.00 0.00 37.83 34.99 3krf s LYS 97 CO 0.00 0.40 0.87 -2.30 0.51 0.00 0.00 175.35 174.83 3krf n PRO 98 N 1.01 1.04 -1.74 -1.68 -0.02 -1.26 -2.14 135.00 130.21 3krf n PRO 98 Ca -0.19 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.35 3krf n PRO 98 Cb 0.53 -1.68 0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3krf n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3krf s THR 99 N -1.12 4.05 0.25 3.45 -4.23 -0.74 -4.75 115.64 112.55 3krf s THR 99 Ca 0.60 0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 61.82 3krf s THR 99 Cb -0.71 -3.44 0.25 0.00 1.34 0.00 0.00 72.50 69.93 3krf s THR 99 CO 0.59 -0.79 1.68 -1.13 -0.54 0.00 0.00 174.62 174.43 3krf h ASN 100 N -0.34 -0.01 1.24 3.99 -0.73 -1.91 0.11 115.58 117.93 3krf h ASN 100 Ca -0.45 0.16 0.00 0.00 1.87 0.00 0.00 56.30 57.88 3krf h ASN 100 Cb 1.21 0.21 0.00 0.00 0.27 0.00 0.00 38.32 40.01 3krf h ASN 100 CO 0.57 -0.06 0.00 1.12 -0.37 0.00 0.00 177.43 178.69 3krf h HIS 101 N 0.25 0.00 0.03 0.67 2.07 -1.87 -2.34 115.15 113.96 3krf h HIS 101 Ca 0.44 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.74 3krf h HIS 101 Cb 0.77 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.73 3krf h HIS 101 CO -0.27 0.00 -1.01 0.52 -3.07 0.00 0.00 177.93 174.10 3krf h MET 102 N 0.00 0.09 0.09 5.12 2.86 -1.10 0.23 114.93 122.21 3krf h MET 102 Ca 0.00 -0.14 -0.23 0.00 -2.06 0.00 0.00 59.70 57.28 3krf h MET 102 Cb 0.62 0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.35 3krf h MET 102 CO 0.00 1.01 -0.95 0.00 1.06 0.00 0.00 176.91 178.03 3krf h ALA 103 N 0.93 -0.00 -0.00 6.32 0.00 -1.15 -3.39 119.26 121.96 3krf h ALA 103 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3krf h ALA 103 Cb 1.72 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3krf h ALA 103 CO 0.14 0.51 0.00 1.19 0.00 0.00 0.00 179.25 181.10 3krf n PHE 104 N -4.00 0.00 0.00 0.00 3.01 -0.90 -5.12 117.46 110.45 3krf n PHE 104 Ca -0.13 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3krf n PHE 104 Cb 0.85 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 3krf n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3krf n GLY 105 N 0.09 1.77 0.30 1.37 0.00 0.79 -4.37 105.19 105.14 3krf n GLY 105 Ca 0.01 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 3krf n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3krf h GLU 106 N 0.00 0.86 -0.41 1.61 5.08 -1.92 -1.98 114.58 117.82 3krf h GLU 106 Ca 0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3krf h GLU 106 Cb 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3krf h GLU 106 CO 0.00 0.79 0.21 1.03 -1.00 0.00 0.00 179.01 180.04 3krf h SER 107 N 0.82 0.53 0.45 1.42 0.87 -1.93 0.72 113.55 116.43 3krf h SER 107 Ca 0.18 -0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 3krf h SER 107 Cb 0.34 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3krf h SER 107 CO 0.00 0.49 -0.60 0.58 -0.53 0.00 0.00 176.83 176.77 3krf h VAL 108 N 0.53 1.40 -0.27 2.23 2.07 -1.74 -0.86 116.25 119.62 3krf h VAL 108 Ca 0.14 -2.00 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 3krf h VAL 108 Cb 0.09 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3krf h VAL 108 CO -0.02 0.58 0.02 0.00 0.02 0.00 0.00 177.57 178.17 3krf h ALA 109 N 1.27 0.36 0.47 1.67 0.00 -1.08 0.50 119.26 122.45 3krf h ALA 109 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3krf h ALA 109 Cb 1.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3krf h ALA 109 CO 0.09 0.07 -0.23 0.28 0.00 0.00 0.00 179.25 179.46 3krf h VAL 110 N 0.25 0.52 -0.82 0.00 2.07 -0.59 -1.48 116.25 116.20 3krf h VAL 110 Ca 0.08 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3krf h VAL 110 Cb 0.38 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3krf h VAL 110 CO 0.01 0.04 0.53 -0.07 0.02 0.00 0.00 177.57 178.09 3krf h LEU 111 N -0.76 0.87 -0.86 2.57 3.38 -1.09 -1.50 115.31 117.93 3krf h LEU 111 Ca -0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3krf h LEU 111 Cb 0.54 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3krf h LEU 111 CO 0.11 0.60 0.30 0.00 0.09 0.00 0.00 178.44 179.54 3krf h ALA 112 N 1.34 1.09 -0.34 1.53 0.00 0.01 -0.59 119.26 122.31 3krf h ALA 112 Ca 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3krf h ALA 112 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3krf h ALA 112 CO -0.11 0.65 0.20 0.78 0.00 0.00 0.00 179.25 180.77 3krf h GLY 113 N 1.14 0.49 1.04 0.00 0.00 -0.52 -1.30 103.07 103.92 3krf h GLY 113 Ca 0.25 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.42 3krf h GLY 113 CO -0.02 0.19 0.54 -0.55 0.00 0.00 0.00 176.54 176.71 3krf h ASP 114 N 0.44 0.87 -0.26 0.19 3.32 -0.92 -2.22 116.42 117.83 3krf h ASP 114 Ca 0.12 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3krf h ASP 114 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3krf h ASP 114 CO -0.02 0.59 -0.18 0.00 -1.72 0.00 0.00 179.24 177.91 3krf h ALA 115 N 1.52 0.99 -0.25 3.45 0.00 -0.29 -2.11 119.26 122.57 3krf h ALA 115 Ca 0.33 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3krf h ALA 115 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3krf h ALA 115 CO -0.10 0.60 -0.35 -0.07 0.00 0.00 0.00 179.25 179.33 3krf h LEU 116 N 0.63 0.56 0.07 0.00 3.38 -0.74 -0.68 115.31 118.53 3krf h LEU 116 Ca 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3krf h LEU 116 Cb 0.65 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3krf h LEU 116 CO 0.05 0.87 -0.04 0.25 0.09 0.00 0.00 178.44 179.66 3krf h LEU 117 N 0.46 -0.09 -0.68 1.67 5.85 -1.03 -1.89 115.31 119.60 3krf h LEU 117 Ca 0.05 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.35 3krf h LEU 117 Cb 0.82 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3krf h LEU 117 CO 0.07 0.24 -0.65 0.77 -0.34 0.00 0.00 178.44 178.53 3krf h SER 118 N -0.42 0.07 0.18 1.25 4.64 -1.43 -3.00 113.55 114.83 3krf h SER 118 Ca -0.01 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 3krf h SER 118 Cb 0.36 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3krf h SER 118 CO 0.02 0.70 -0.21 0.15 -0.87 0.00 0.00 176.83 176.61 3krf h PHE 119 N 0.04 0.08 -0.75 4.77 3.04 -1.08 -1.65 116.94 121.40 3krf h PHE 119 Ca -0.01 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.95 3krf h PHE 119 Cb 1.15 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.60 3krf h PHE 119 CO 0.01 0.29 0.49 0.00 -2.02 0.00 0.00 178.31 177.07 3krf h ALA 120 N 1.72 0.96 -0.34 2.41 0.00 -1.19 0.23 119.26 123.04 3krf h ALA 120 Ca 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3krf h ALA 120 Cb 0.42 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3krf h ALA 120 CO 0.03 0.34 -0.36 0.74 0.00 0.00 0.00 179.25 179.99 3krf h PHE 121 N 0.98 1.01 -0.48 0.00 0.04 -1.39 -2.75 116.94 114.35 3krf h PHE 121 Ca 0.28 -0.31 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3krf h PHE 121 Cb -0.08 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 3krf h PHE 121 CO -0.03 1.11 0.28 1.49 -0.60 0.00 0.00 178.31 180.56 3krf h GLU 122 N 0.63 0.66 -0.39 1.51 4.81 -0.90 -0.23 114.58 120.68 3krf h GLU 122 Ca 0.05 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 3krf h GLU 122 Cb 0.95 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3krf h GLU 122 CO 0.09 0.50 -0.32 1.25 -0.73 0.00 0.00 179.01 179.81 3krf h HIS 123 N 0.64 1.07 -0.20 0.92 2.76 -0.56 0.71 115.15 120.49 3krf h HIS 123 Ca 0.17 -0.30 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 3krf h HIS 123 Cb 0.02 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 3krf h HIS 123 CO -0.02 1.12 0.09 0.28 -1.30 0.00 0.00 177.93 178.09 3krf h VAL 124 N 0.72 1.16 -0.53 5.26 2.07 -1.43 0.19 116.25 123.70 3krf h VAL 124 Ca 0.07 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3krf h VAL 124 Cb 0.90 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3krf h VAL 124 CO 0.08 0.15 0.22 0.00 0.02 0.00 0.00 177.57 178.05 3krf h ALA 125 N 0.93 0.68 0.00 1.67 0.00 -0.85 -2.95 119.26 118.75 3krf h ALA 125 Ca 0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3krf h ALA 125 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3krf h ALA 125 CO -0.01 0.28 -1.68 0.00 0.00 0.00 0.00 179.25 177.85 3krf n ALA 126 N -2.34 2.21 0.73 0.00 0.00 0.23 -4.49 120.51 116.86 3krf n ALA 126 Ca 0.02 -0.62 0.09 0.00 0.00 0.00 0.00 53.44 52.94 3krf n ALA 126 Cb 0.15 -0.79 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 3krf n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krf n ALA 127 N -2.38 4.18 -2.09 0.00 0.00 0.66 -4.94 120.51 115.94 3krf n ALA 127 Ca -0.10 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 3krf n ALA 127 Cb 0.77 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 3krf n ALA 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3krf s THR 128 N -2.95 3.59 0.22 0.00 2.01 -1.11 -4.90 115.64 112.49 3krf s THR 128 Ca 0.04 0.86 0.11 0.00 0.31 0.00 0.00 61.69 63.01 3krf s THR 128 Cb 0.14 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 3krf s THR 128 CO 0.81 -0.04 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.94 3krf s LYS 129 N 3.26 1.52 0.00 4.92 3.01 -1.26 -4.70 119.74 126.50 3krf s LYS 129 Ca 0.69 -1.59 0.00 0.00 -1.01 0.00 0.00 55.97 54.06 3krf s LYS 129 Cb -0.33 -1.71 0.00 0.00 -1.01 0.00 0.00 37.83 34.78 3krf s LYS 129 CO 0.28 0.35 0.00 0.41 0.51 0.00 0.00 175.35 176.89 3krf n GLY 130 N -0.05 0.47 2.96 -3.33 0.00 -1.26 -4.61 105.19 99.38 3krf n GLY 130 Ca -0.10 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3krf n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krf s ALA 131 N -2.00 -0.17 0.48 4.61 0.00 -1.26 -5.04 121.76 118.37 3krf s ALA 131 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.89 3krf s ALA 131 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 3krf s ALA 131 CO 0.00 -0.06 1.02 -1.25 0.00 0.00 0.00 175.76 175.48 3krf s PRO 132 N -0.17 3.86 0.33 0.00 0.04 -1.26 -4.84 135.00 132.96 3krf s PRO 132 Ca -0.02 1.31 0.10 0.00 0.04 0.00 0.00 61.00 62.43 3krf s PRO 132 Cb -0.02 -2.11 0.98 0.00 0.04 0.00 0.00 34.50 33.39 3krf s PRO 132 CO 0.00 -0.38 1.62 -1.35 0.04 0.00 0.00 177.00 176.94 3krf h PRO 133 N 1.57 0.15 -0.02 0.56 0.11 -1.99 0.11 132.00 132.50 3krf h PRO 133 Ca -0.49 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 3krf h PRO 133 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3krf h PRO 133 CO 0.59 0.10 -0.47 1.05 -0.21 0.00 0.00 178.00 179.06 3krf h GLU 134 N 0.16 0.05 -0.07 1.05 -0.00 -1.99 -0.01 114.58 113.77 3krf h GLU 134 Ca 0.68 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 59.99 3krf h GLU 134 Cb 1.56 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.31 3krf h GLU 134 CO -0.72 0.52 -0.06 -0.09 -0.00 0.00 0.00 179.01 178.66 3krf h ARG 135 N 0.04 0.16 -0.83 1.06 2.43 -1.16 -1.08 114.38 115.00 3krf h ARG 135 Ca -0.00 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3krf h ARG 135 Cb 0.85 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 3krf h ARG 135 CO 0.06 0.59 0.51 0.82 -1.51 0.00 0.00 179.97 180.44 3krf h ILE 136 N -0.26 1.22 -0.13 1.20 2.04 -1.13 -1.58 117.51 118.88 3krf h ILE 136 Ca 0.01 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 65.27 3krf h ILE 136 Cb 0.55 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3krf h ILE 136 CO 0.02 0.23 -0.49 0.58 0.00 0.00 0.00 178.15 178.49 3krf h VAL 137 N 1.14 1.33 -0.39 1.67 2.07 -0.93 -0.80 116.25 120.33 3krf h VAL 137 Ca 0.30 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 3krf h VAL 137 Cb -0.07 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3krf h VAL 137 CO -0.06 0.52 0.13 -0.09 0.02 0.00 0.00 177.57 178.09 3krf h ARG 138 N 0.28 0.61 -0.88 1.57 2.43 -0.52 -0.56 114.38 117.30 3krf h ARG 138 Ca 0.01 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3krf h ARG 138 Cb 0.96 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 3krf h ARG 138 CO 0.08 0.60 0.49 0.28 -1.51 0.00 0.00 179.97 179.91 3krf h VAL 139 N 0.49 1.26 -0.12 0.20 2.07 -1.18 0.25 116.25 119.21 3krf h VAL 139 Ca 0.13 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 3krf h VAL 139 Cb 0.24 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3krf h VAL 139 CO -0.01 0.29 -0.40 -0.07 0.02 0.00 0.00 177.57 177.40 3krf h LEU 140 N 1.23 0.27 -0.03 2.57 3.38 -0.83 -1.29 115.31 120.62 3krf h LEU 140 Ca 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3krf h LEU 140 Cb 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3krf h LEU 140 CO -0.05 0.66 0.01 1.23 0.09 0.00 0.00 178.44 180.38 3krf h GLY 141 N 1.20 0.04 1.40 0.83 0.00 0.55 -1.98 103.07 105.12 3krf h GLY 141 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3krf h GLY 141 CO 0.06 0.02 0.35 0.83 0.00 0.00 0.00 176.54 177.81 3krf h GLU 142 N -0.12 0.79 -0.19 4.80 4.39 -0.37 -1.69 114.58 122.19 3krf h GLU 142 Ca 0.01 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3krf h GLU 142 Cb 0.17 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3krf h GLU 142 CO -0.00 0.56 0.07 1.25 -1.16 0.00 0.00 179.01 179.72 3krf h LEU 143 N 0.81 0.26 -0.12 1.33 5.85 -1.05 -0.33 115.31 122.07 3krf h LEU 143 Ca 0.21 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3krf h LEU 143 Cb -0.03 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3krf h LEU 143 CO -0.04 0.37 -0.07 0.00 -0.34 0.00 0.00 178.44 178.36 3krf h ALA 144 N 0.90 0.03 -0.32 1.25 0.00 -1.17 -2.26 119.26 117.68 3krf h ALA 144 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3krf h ALA 144 Cb 0.20 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3krf h ALA 144 CO -0.00 -0.53 0.14 0.28 0.00 0.00 0.00 179.25 179.14 3krf h VAL 145 N -0.07 1.12 0.00 0.00 2.07 -1.13 -1.67 116.25 116.58 3krf h VAL 145 Ca 0.07 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3krf h VAL 145 Cb 0.18 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3krf h VAL 145 CO -0.16 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 176.03 3krf n SER 146 N -4.42 0.14 0.00 0.57 3.41 -0.15 -3.73 113.62 109.44 3krf n SER 146 Ca 0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3krf n SER 146 Cb 0.12 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3krf n SER 146 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3krf n ILE 147 N -1.64 0.00 -0.74 -1.33 -5.35 -0.88 -1.41 119.36 108.01 3krf n ILE 147 Ca 0.07 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3krf n ILE 147 Cb 0.35 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 3krf n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3krf n GLY 148 N 0.10 1.56 0.00 3.28 0.00 -0.68 -2.44 105.19 107.01 3krf n GLY 148 Ca 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 46.02 44.26 3krf n GLY 148 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3krf n SER 149 N 0.00 0.00 -0.10 1.61 7.64 -1.26 -0.79 113.62 120.72 3krf n SER 149 Ca 0.00 0.27 0.05 0.00 1.01 0.00 0.00 58.87 60.20 3krf n SER 149 Cb 0.00 -0.34 0.07 0.00 -1.01 0.00 0.00 64.21 62.93 3krf n SER 149 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3krf n GLU 150 N -1.34 1.55 0.00 1.43 1.02 -1.26 -4.51 120.64 117.52 3krf n GLU 150 Ca 0.02 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.31 3krf n GLU 150 Cb 0.05 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3krf n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krf n GLY 151 N -0.83 4.87 0.25 0.62 0.00 0.03 -4.91 105.19 105.22 3krf n GLY 151 Ca 0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 3krf n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3krf h LEU 152 N 0.00 -0.61 -1.25 0.99 6.46 -1.07 -2.58 115.31 117.25 3krf h LEU 152 Ca 0.00 0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 3krf h LEU 152 Cb 0.00 0.40 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 3krf h LEU 152 CO 0.00 -0.21 0.14 0.58 -0.62 0.00 0.00 178.44 178.32 3krf h VAL 153 N -0.01 1.19 -0.10 1.05 2.07 -1.30 -0.19 116.25 118.96 3krf h VAL 153 Ca 0.30 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3krf h VAL 153 Cb 0.47 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3krf h VAL 153 CO -0.65 0.24 0.03 0.00 0.02 0.00 0.00 177.57 177.20 3krf h ALA 154 N 1.51 0.13 -0.13 1.67 0.00 -1.38 0.18 119.26 121.25 3krf h ALA 154 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3krf h ALA 154 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3krf h ALA 154 CO -0.01 -0.26 -0.05 0.78 0.00 0.00 0.00 179.25 179.72 3krf h GLY 155 N -0.04 0.20 1.94 0.00 0.00 -1.11 -1.66 103.07 102.40 3krf h GLY 155 Ca 0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 3krf h GLY 155 CO -0.00 0.09 -1.04 -1.61 0.00 0.00 0.00 176.54 173.98 3krf h GLN 156 N 0.18 0.01 0.12 4.80 5.75 -0.15 -3.12 115.11 122.71 3krf h GLN 156 Ca 0.04 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3krf h GLN 156 Cb 0.21 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.77 3krf h GLN 156 CO 0.01 0.99 -0.06 0.28 -2.65 0.00 0.00 178.83 177.40 3krf h VAL 157 N 0.00 0.99 -0.29 2.39 2.07 -0.41 -2.77 116.25 118.23 3krf h VAL 157 Ca -0.03 -1.24 0.08 0.00 0.82 0.00 0.00 66.70 66.34 3krf h VAL 157 Cb 1.79 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 3krf h VAL 157 CO 0.13 0.26 0.25 0.58 0.02 0.00 0.00 177.57 178.81 3krf h VAL 158 N -0.83 0.63 0.08 2.57 2.07 -1.45 0.40 116.25 119.73 3krf h VAL 158 Ca -0.02 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 3krf h VAL 158 Cb 0.55 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3krf h VAL 158 CO 0.03 0.00 -0.54 -0.78 0.02 0.00 0.00 177.57 176.30 3krf h ASP 159 N 0.00 0.34 0.44 0.57 -0.00 -1.56 -2.20 116.42 114.01 3krf h ASP 159 Ca 0.14 -0.93 -0.05 0.00 -0.00 0.00 0.00 57.03 56.19 3krf h ASP 159 Cb 0.64 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 39.85 3krf h ASP 159 CO -0.00 1.24 -0.25 0.58 -0.00 0.00 0.00 179.24 180.81 3krf h VAL 160 N -0.51 0.91 0.00 2.25 2.07 -1.10 -2.13 116.25 117.74 3krf h VAL 160 Ca -0.09 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3krf h VAL 160 Cb 1.39 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3krf h VAL 160 CO 0.10 0.24 -0.23 0.00 0.02 0.00 0.00 177.57 177.70 3krf n SER 162 N -1.72 2.86 0.00 0.00 7.64 -0.83 -4.28 113.62 117.29 3krf n SER 162 Ca 0.06 -1.90 0.06 0.00 1.01 0.00 0.00 58.87 58.10 3krf n SER 162 Cb 0.37 -0.21 0.37 0.00 -1.01 0.00 0.00 64.21 63.73 3krf n SER 162 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3krf n GLU 163 N 0.69 0.96 -0.05 1.43 1.02 -1.00 -3.93 120.64 119.77 3krf n GLU 163 Ca 0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.20 3krf n GLU 163 Cb 0.43 -1.21 -0.05 0.00 -0.02 0.00 0.00 31.44 30.59 3krf n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krf n GLY 164 N 0.65 -0.19 3.30 0.62 0.00 -1.26 -4.87 105.19 103.43 3krf n GLY 164 Ca 0.09 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3krf n GLY 164 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3krf n MET 165 N -2.71 3.54 0.00 1.61 0.00 -1.25 -4.94 117.12 113.37 3krf n MET 165 Ca -0.18 -4.47 0.00 0.00 -0.00 0.00 0.00 57.70 53.06 3krf n MET 165 Cb 0.71 -2.54 0.00 0.00 0.00 0.00 0.00 33.22 31.39 3krf n MET 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3krf n ALA 166 N 2.56 1.09 -3.26 -5.12 0.00 -1.26 -3.77 120.51 110.74 3krf n ALA 166 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 3krf n ALA 166 Cb 0.39 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.09 3krf n ALA 166 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3krf n GLU 167 N -0.46 3.68 -4.18 0.00 2.13 -1.26 -4.61 120.64 115.93 3krf n GLU 167 Ca 0.00 -4.53 -0.35 0.00 0.66 0.00 0.00 57.16 52.95 3krf n GLU 167 Cb 0.00 -2.48 -0.10 0.00 0.27 0.00 0.00 31.44 29.13 3krf n GLU 167 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3krf s VAL 168 N -2.05 4.51 0.58 6.31 1.01 -1.25 -5.11 120.40 124.40 3krf s VAL 168 Ca 0.31 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3krf s VAL 168 Cb -0.01 -2.98 0.08 0.00 0.00 0.00 0.00 36.38 33.46 3krf s VAL 168 CO -0.01 0.51 0.80 -0.83 0.00 0.00 0.00 175.10 175.58 3krf s GLY 169 N -0.02 1.79 0.25 4.51 0.00 -1.26 -4.89 107.32 107.70 3krf s GLY 169 Ca 0.04 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 42.91 3krf s GLY 169 CO 0.02 -1.40 1.72 -2.00 0.00 0.00 0.00 173.10 171.43 3krf h LEU 170 N 0.05 0.23 -0.63 0.66 5.85 -1.98 -1.18 115.31 118.31 3krf h LEU 170 Ca -0.35 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3krf h LEU 170 Cb 1.28 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 3krf h LEU 170 CO 0.43 0.07 0.29 -0.78 -0.34 0.00 0.00 178.44 178.11 3krf h ASP 171 N 0.41 0.83 -0.36 1.25 3.58 -1.99 -0.57 116.42 119.57 3krf h ASP 171 Ca 0.43 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.63 3krf h ASP 171 Cb 0.68 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 3krf h ASP 171 CO -0.43 0.74 -0.16 -0.74 -2.88 0.00 0.00 179.24 175.76 3krf h HIS 172 N 0.86 0.85 -0.59 0.28 2.76 -1.62 -1.48 115.15 116.22 3krf h HIS 172 Ca 0.21 -0.21 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3krf h HIS 172 Cb 0.14 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 3krf h HIS 172 CO 0.00 0.93 0.14 1.25 -1.30 0.00 0.00 177.93 178.95 3krf h LEU 173 N 0.52 0.86 -0.73 0.26 5.85 -1.17 -2.05 115.31 118.85 3krf h LEU 173 Ca 0.08 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 3krf h LEU 173 Cb 0.70 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3krf h LEU 173 CO 0.05 0.84 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.48 3krf h GLU 174 N 0.87 0.79 -0.10 1.25 5.08 -0.92 -2.31 114.58 119.24 3krf h GLU 174 Ca 0.19 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3krf h GLU 174 Cb 0.32 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3krf h GLU 174 CO 0.00 0.91 -0.28 0.35 -1.00 0.00 0.00 179.01 178.99 3krf h PHE 175 N 0.70 -0.76 0.04 4.33 3.04 -0.55 0.33 116.94 124.06 3krf h PHE 175 Ca 0.10 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.10 3krf h PHE 175 Cb 0.68 0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 3krf h PHE 175 CO 0.04 -0.36 -0.11 0.82 -2.02 0.00 0.00 178.31 176.67 3krf h ILE 176 N -0.37 0.73 -0.53 1.41 2.04 -1.47 -1.16 117.51 118.16 3krf h ILE 176 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3krf h ILE 176 Cb 0.50 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3krf h ILE 176 CO -0.31 0.00 0.34 0.45 0.00 0.00 0.00 178.15 178.63 3krf h HIS 177 N -0.21 0.68 -0.64 1.37 3.86 -0.86 0.65 115.15 119.99 3krf h HIS 177 Ca 0.03 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3krf h HIS 177 Cb 0.24 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 3krf h HIS 177 CO -0.16 0.44 0.25 1.25 0.86 0.00 0.00 177.93 180.58 3krf h HIS 178 N 0.72 0.94 0.20 2.45 -0.00 -0.15 -0.04 115.15 119.27 3krf h HIS 178 Ca 0.19 -0.06 -0.33 0.00 -0.00 0.00 0.00 60.37 60.17 3krf h HIS 178 Cb -0.06 -0.29 0.02 0.00 -0.00 0.00 0.00 27.41 27.08 3krf h HIS 178 CO -0.03 0.73 -1.58 0.45 -0.00 0.00 0.00 177.93 177.49 3krf h HIS 179 N 0.92 0.77 0.00 5.26 3.86 -0.85 0.15 115.15 125.26 3krf h HIS 179 Ca 0.22 -0.56 -0.13 0.00 -1.16 0.00 0.00 60.37 58.74 3krf h HIS 179 Cb 0.18 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 3krf h HIS 179 CO 0.01 1.56 -0.60 -0.22 0.86 0.00 0.00 177.93 179.55 3krf h LYS 180 N 0.12 0.00 0.00 2.45 3.64 0.31 -2.98 116.57 120.11 3krf h LYS 180 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3krf h LYS 180 Cb 2.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.93 3krf h LYS 180 CO 0.22 0.60 -0.85 2.41 -2.27 0.00 0.00 179.45 179.55 3krf n THR 181 N -3.41 0.00 -0.12 1.00 -1.04 -0.04 -4.86 114.28 105.80 3krf n THR 181 Ca 0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.93 3krf n THR 181 Cb 0.70 -1.32 0.06 0.00 -1.82 0.00 0.00 70.33 67.96 3krf n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3krf h ALA 182 N 0.00 0.84 -0.22 2.41 0.00 -1.24 -3.15 119.26 117.90 3krf h ALA 182 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3krf h ALA 182 Cb 0.85 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3krf h ALA 182 CO 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.78 3krf h ALA 183 N 1.03 0.07 -0.21 0.00 0.00 -0.91 0.49 119.26 119.73 3krf h ALA 183 Ca 0.11 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3krf h ALA 183 Cb 0.71 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3krf h ALA 183 CO 0.05 -0.53 -0.34 1.25 0.00 0.00 0.00 179.25 179.68 3krf h LEU 184 N -0.09 0.45 -0.91 0.00 5.85 -1.68 0.28 115.31 119.21 3krf h LEU 184 Ca 0.12 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3krf h LEU 184 Cb 0.27 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3krf h LEU 184 CO -0.28 0.76 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.43 3krf h LEU 185 N 0.37 0.69 -0.58 2.25 3.38 -1.36 -0.25 115.31 119.81 3krf h LEU 185 Ca 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3krf h LEU 185 Cb 0.77 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3krf h LEU 185 CO 0.06 0.82 0.19 -0.61 0.09 0.00 0.00 178.44 178.99 3krf h GLN 186 N 0.65 0.90 -0.74 1.13 4.15 0.48 -1.63 115.11 120.06 3krf h GLN 186 Ca 0.12 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 3krf h GLN 186 Cb 0.53 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 3krf h GLN 186 CO 0.03 0.80 0.46 0.78 -1.93 0.00 0.00 178.83 178.97 3krf h GLY 187 N 0.82 1.06 0.89 2.39 0.00 0.25 -0.52 103.07 107.97 3krf h GLY 187 Ca 0.19 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 3krf h GLY 187 CO -0.01 0.41 -0.07 1.76 0.00 0.00 0.00 176.54 178.63 3krf h SER 188 N 1.01 0.58 0.25 0.19 0.02 -0.52 -2.04 113.55 113.05 3krf h SER 188 Ca 0.27 -0.36 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 3krf h SER 188 Cb -0.07 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3krf h SER 188 CO -0.05 0.81 -0.52 1.62 -1.14 0.00 0.00 176.83 177.54 3krf h VAL 189 N 0.35 1.35 -0.23 2.27 3.04 -1.18 -2.83 116.25 119.02 3krf h VAL 189 Ca 0.08 -1.79 -0.20 0.00 -1.01 0.00 0.00 66.70 63.77 3krf h VAL 189 Cb 0.55 1.84 0.01 0.00 -2.01 0.00 0.00 31.29 31.68 3krf h VAL 189 CO 0.03 0.54 -0.65 0.58 -1.01 0.00 0.00 177.57 177.06 3krf h VAL 190 N 0.24 1.27 -0.29 1.51 2.07 -0.96 -1.09 116.25 119.01 3krf h VAL 190 Ca 0.01 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 3krf h VAL 190 Cb 1.00 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 3krf h VAL 190 CO 0.08 0.59 0.10 -0.07 0.02 0.00 0.00 177.57 178.30 3krf h LEU 191 N 0.62 0.41 0.24 2.57 3.38 -1.35 -0.09 115.31 121.08 3krf h LEU 191 Ca -0.02 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3krf h LEU 191 Cb 1.27 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3krf h LEU 191 CO 0.14 0.48 -0.28 1.23 0.09 0.00 0.00 178.44 180.10 3krf h GLY 192 N 0.31 -0.61 0.48 0.83 0.00 -1.44 0.19 103.07 102.83 3krf h GLY 192 Ca 0.09 0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.82 3krf h GLY 192 CO -0.01 -0.25 0.14 0.00 0.00 0.00 0.00 176.54 176.43 3krf h ALA 193 N 0.05 0.56 0.53 3.60 0.00 -1.07 0.69 119.26 123.62 3krf h ALA 193 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3krf h ALA 193 Cb 0.54 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3krf h ALA 193 CO -0.08 -0.26 -0.26 0.82 0.00 0.00 0.00 179.25 179.47 3krf h ILE 194 N 0.29 0.32 -0.64 0.00 2.04 -0.81 -1.62 117.51 117.09 3krf h ILE 194 Ca 0.23 -0.40 0.19 0.00 1.00 0.00 0.00 64.86 65.89 3krf h ILE 194 Cb 0.27 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3krf h ILE 194 CO -0.27 0.05 0.52 -0.07 0.00 0.00 0.00 178.15 178.38 3krf h LEU 195 N -1.01 0.00 0.00 1.44 3.38 -0.47 0.59 115.31 119.24 3krf h LEU 195 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3krf h LEU 195 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3krf h LEU 195 CO 0.12 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3krf n GLY 196 N -1.62 -1.29 1.75 0.83 0.00 0.22 -4.92 105.19 100.16 3krf n GLY 196 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3krf n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krf n GLY 197 N 1.15 0.64 3.87 -0.02 0.00 0.21 -3.74 105.19 107.29 3krf n GLY 197 Ca 0.10 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 3krf n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krf s GLY 198 N -2.98 2.12 1.07 -0.02 0.00 -0.63 -5.04 107.32 101.83 3krf s GLY 198 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.41 3krf s GLY 198 CO 0.00 -0.03 1.08 0.54 0.00 0.00 0.00 173.10 174.69 3krf s LYS 199 N -3.33 -0.17 0.30 2.90 3.01 -1.26 -4.74 119.74 116.44 3krf s LYS 199 Ca 0.50 1.16 -0.01 0.00 -1.01 0.00 0.00 55.97 56.61 3krf s LYS 199 Cb -0.10 -1.62 0.44 0.00 -1.01 0.00 0.00 37.83 35.54 3krf s LYS 199 CO 0.25 -3.32 1.90 1.49 0.51 0.00 0.00 175.35 176.18 3krf h GLU 200 N -2.35 0.92 -0.25 1.68 4.57 -1.99 -1.10 114.58 116.06 3krf h GLU 200 Ca -0.54 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 57.52 3krf h GLU 200 Cb 1.31 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3krf h GLU 200 CO 0.46 0.71 0.14 1.49 -1.18 0.00 0.00 179.01 180.64 3krf h GLU 201 N 0.92 0.35 -0.13 1.92 4.22 -2.00 -1.26 114.58 118.61 3krf h GLU 201 Ca 0.23 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.63 3krf h GLU 201 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3krf h GLU 201 CO -0.03 0.31 0.08 0.93 -2.18 0.00 0.00 179.01 178.11 3krf h GLU 202 N 0.30 0.17 -0.63 1.92 5.08 -1.79 -2.19 114.58 117.44 3krf h GLU 202 Ca 0.09 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 3krf h GLU 202 Cb 0.05 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 3krf h GLU 202 CO -0.02 0.14 0.27 0.28 -1.00 0.00 0.00 179.01 178.69 3krf h VAL 203 N 0.15 0.80 -0.71 3.13 2.07 -0.99 -1.77 116.25 118.92 3krf h VAL 203 Ca 0.05 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3krf h VAL 203 Cb 0.02 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3krf h VAL 203 CO -0.01 0.09 0.37 0.00 0.02 0.00 0.00 177.57 178.04 3krf h ALA 204 N 1.42 0.91 -0.45 1.67 0.00 -0.79 0.11 119.26 122.13 3krf h ALA 204 Ca 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3krf h ALA 204 Cb 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3krf h ALA 204 CO -0.29 0.44 0.20 0.87 0.00 0.00 0.00 179.25 180.47 3krf h LYS 205 N 0.98 0.66 -0.56 0.00 1.57 -1.06 -1.48 116.57 116.68 3krf h LYS 205 Ca 0.25 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3krf h LYS 205 Cb 0.07 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3krf h LYS 205 CO -0.04 0.58 0.11 -0.07 -0.57 0.00 0.00 179.45 179.47 3krf h LEU 206 N 0.58 0.83 -0.63 2.94 3.38 -0.93 -1.48 115.31 120.00 3krf h LEU 206 Ca 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3krf h LEU 206 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3krf h LEU 206 CO -0.02 0.83 0.41 -0.09 0.09 0.00 0.00 178.44 179.67 3krf h ARG 207 N 0.85 0.84 -0.12 1.13 2.43 -0.43 -1.99 114.38 117.09 3krf h ARG 207 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3krf h ARG 207 Cb 0.34 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3krf h ARG 207 CO 0.00 0.56 0.08 0.87 -1.51 0.00 0.00 179.97 179.97 3krf h LYS 208 N 0.86 0.16 -0.39 0.20 1.57 -0.78 -2.34 116.57 115.85 3krf h LYS 208 Ca 0.23 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 3krf h LYS 208 Cb -0.09 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.11 3krf h LYS 208 CO -0.05 0.12 -0.13 0.35 -0.57 0.00 0.00 179.45 179.17 3krf h PHE 209 N 0.15 -0.30 -0.46 -1.35 3.57 -1.18 -0.52 116.94 116.85 3krf h PHE 209 Ca 0.04 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3krf h PHE 209 Cb 0.00 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3krf h PHE 209 CO -0.06 -0.20 0.25 0.00 -2.23 0.00 0.00 178.31 176.06 3krf h ALA 210 N 1.31 0.58 -0.88 2.41 0.00 -1.21 -0.58 119.26 120.89 3krf h ALA 210 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3krf h ALA 210 Cb 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3krf h ALA 210 CO -0.42 0.10 0.54 -0.91 0.00 0.00 0.00 179.25 178.56 3krf h ASN 211 N 0.60 1.06 -0.10 0.00 2.35 -0.92 0.32 115.58 118.89 3krf h ASN 211 Ca 0.16 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3krf h ASN 211 Cb 0.05 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 3krf h ASN 211 CO -0.03 0.81 0.02 0.00 -1.65 0.00 0.00 177.43 176.59 3krf h ILE 213 N -0.05 1.05 0.02 0.00 3.07 -0.91 0.37 117.51 121.07 3krf h ILE 213 Ca 0.03 -1.79 -0.00 0.00 1.55 0.00 0.00 64.86 64.64 3krf h ILE 213 Cb 0.24 2.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 3krf h ILE 213 CO 0.00 0.46 -0.01 1.23 -1.05 0.00 0.00 178.15 178.78 3krf h GLY 214 N 2.15 -0.03 0.90 0.16 0.00 -0.24 -1.05 103.07 104.95 3krf h GLY 214 Ca -0.00 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 3krf h GLY 214 CO 0.06 -0.01 -0.22 -2.00 0.00 0.00 0.00 176.54 174.37 3krf h LEU 215 N -0.11 0.63 -0.98 3.11 5.85 -1.30 -3.01 115.31 119.50 3krf h LEU 215 Ca -0.00 -0.46 0.27 0.00 0.84 0.00 0.00 57.88 58.53 3krf h LEU 215 Cb 0.10 -0.18 -0.14 0.00 0.37 0.00 0.00 40.66 40.82 3krf h LEU 215 CO 0.00 0.96 0.52 0.25 -0.34 0.00 0.00 178.44 179.83 3krf h LEU 216 N 0.30 0.50 -0.64 2.25 5.85 -0.06 -0.29 115.31 123.21 3krf h LEU 216 Ca 0.04 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3krf h LEU 216 Cb 0.77 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3krf h LEU 216 CO 0.06 -0.03 0.27 0.15 -0.34 0.00 0.00 178.44 178.54 3krf h PHE 217 N 0.42 0.96 -0.03 1.25 3.57 -1.05 -1.61 116.94 120.44 3krf h PHE 217 Ca 0.66 -0.06 -0.20 0.00 3.53 0.00 0.00 57.97 61.89 3krf h PHE 217 Cb 1.37 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 3krf h PHE 217 CO -0.05 0.74 -0.83 1.96 -2.23 0.00 0.00 178.31 177.90 3krf h GLN 218 N 0.89 0.37 0.73 1.11 1.08 -1.13 -1.58 115.11 116.57 3krf h GLN 218 Ca 0.21 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 3krf h GLN 218 Cb 0.18 0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3krf h GLN 218 CO -0.02 1.01 -0.35 0.28 -0.95 0.00 0.00 178.83 178.80 3krf h VAL 219 N 0.23 0.00 -1.01 -0.54 2.07 -1.25 -0.71 116.25 115.04 3krf h VAL 219 Ca -0.05 -0.24 0.23 0.00 0.82 0.00 0.00 66.70 67.46 3krf h VAL 219 Cb 1.44 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.09 3krf h VAL 219 CO 0.14 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.92 3krf h VAL 220 N -1.22 0.58 -0.78 2.57 2.07 -1.32 0.47 116.25 118.63 3krf h VAL 220 Ca -0.10 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3krf h VAL 220 Cb 0.75 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3krf h VAL 220 CO 0.16 0.11 0.41 -0.78 0.02 0.00 0.00 177.57 177.50 3krf h ASP 221 N 0.62 0.98 -0.09 0.57 3.58 -1.16 -1.64 116.42 119.28 3krf h ASP 221 Ca 0.62 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.83 3krf h ASP 221 Cb 1.15 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 3krf h ASP 221 CO -0.43 0.80 -0.47 0.44 -2.88 0.00 0.00 179.24 176.69 3krf h ASP 222 N 1.09 0.70 -0.31 2.28 5.19 0.15 -2.87 116.42 122.65 3krf h ASP 222 Ca 0.27 -0.34 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3krf h ASP 222 Cb 0.05 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 3krf h ASP 222 CO -0.04 1.06 0.19 0.40 -3.12 0.00 0.00 179.24 177.73 3krf h ILE 223 N 0.51 1.10 -0.73 0.35 2.04 -0.83 -3.02 117.51 116.94 3krf h ILE 223 Ca 0.03 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3krf h ILE 223 Cb 1.02 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3krf h ILE 223 CO 0.10 0.10 0.28 -0.07 0.00 0.00 0.00 178.15 178.56 3krf h LEU 224 N 0.40 0.99 -1.89 1.44 3.38 -1.32 -2.37 115.31 115.94 3krf h LEU 224 Ca 0.11 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3krf h LEU 224 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3krf h LEU 224 CO -0.02 0.89 0.10 0.44 0.09 0.00 0.00 178.44 179.93 3krf h ASP 225 N 1.06 0.12 0.01 -0.43 3.32 -1.38 -2.88 116.42 116.24 3krf h ASP 225 Ca 0.24 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3krf h ASP 225 Cb 0.21 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3krf h ASP 225 CO -0.02 0.09 -0.00 0.58 -1.72 0.00 0.00 179.24 178.17 3krf h VAL 226 N 0.14 1.47 -0.46 -1.35 2.07 -1.43 -3.34 116.25 113.35 3krf h VAL 226 Ca 0.06 -2.05 -0.26 0.00 0.82 0.00 0.00 66.70 65.27 3krf h VAL 226 Cb 0.05 2.75 -0.14 0.00 -1.52 0.00 0.00 31.29 32.43 3krf h VAL 226 CO -0.01 0.49 0.34 0.35 0.02 0.00 0.00 177.57 178.75 3krf n THR 227 N -4.66 2.25 0.00 2.57 -2.24 -0.93 -5.14 114.28 106.13 3krf n THR 227 Ca -0.08 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 3krf n THR 227 Cb 0.39 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 3krf n THR 227 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3krf n LYS 228 N -0.06 0.00 0.00 -0.78 2.85 -1.09 -4.99 118.16 114.09 3krf n LYS 228 Ca 0.28 0.41 0.00 0.00 -1.05 0.00 0.00 58.31 57.95 3krf n LYS 228 Cb 0.90 -0.91 0.00 0.00 -0.65 0.00 0.00 35.03 34.37 3krf n LYS 228 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3krf n LYS 245 N -1.95 0.00 -3.79 -1.58 4.81 -1.26 -5.13 118.16 109.25 3krf n LYS 245 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3krf n LYS 245 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 3krf n LYS 245 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3krf s THR 246 N -1.90 0.03 0.16 3.15 2.01 -1.26 -4.96 115.64 112.87 3krf s THR 246 Ca 0.00 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 3krf s THR 246 Cb 0.00 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 72.08 3krf s THR 246 CO 0.00 -0.14 0.36 0.42 -0.69 0.00 0.00 174.62 174.57 3krf s THR 247 N -0.51 0.07 0.30 -0.82 -4.23 -1.26 -5.01 115.64 104.17 3krf s THR 247 Ca -0.06 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 3krf s THR 247 Cb -0.04 -1.61 0.28 0.00 1.34 0.00 0.00 72.50 72.47 3krf s THR 247 CO 0.02 -0.30 1.90 1.88 -0.54 0.00 0.00 174.62 177.58 3krf h TYR 248 N 2.45 1.07 -0.16 3.99 0.05 -1.92 -2.16 116.97 120.29 3krf h TYR 248 Ca -0.31 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.41 3krf h TYR 248 Cb 1.24 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 3krf h TYR 248 CO 0.38 0.54 -0.30 -1.35 -1.05 0.00 0.00 178.16 176.38 3krf h PRO 249 N 1.03 0.30 0.00 4.88 0.11 -1.89 0.81 132.00 137.24 3krf h PRO 249 Ca 0.41 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 3krf h PRO 249 Cb 0.25 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3krf h PRO 249 CO -0.17 0.58 -0.30 0.87 -0.21 0.00 0.00 178.00 178.77 3krf h LYS 250 N 0.27 0.00 0.11 1.05 1.57 -1.80 -1.44 116.57 116.33 3krf h LYS 250 Ca 0.04 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.45 3krf h LYS 250 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3krf h LYS 250 CO 0.05 0.30 -2.03 1.28 -0.57 0.00 0.00 179.45 178.49 3krf n LEU 251 N -3.32 2.66 0.00 2.94 4.77 -0.86 -4.68 117.00 118.51 3krf n LEU 251 Ca 0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3krf n LEU 251 Cb 0.54 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3krf n LEU 251 CO 0.36 0.85 0.09 2.30 -1.33 0.00 0.00 177.39 179.66 3krf n ILE 252 N -3.48 0.01 0.00 -0.08 -5.35 0.23 -5.03 119.36 105.65 3krf n ILE 252 Ca -0.33 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 3krf n ILE 252 Cb 1.04 1.64 0.00 0.00 -1.74 0.00 0.00 39.64 40.57 3krf n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3krf n GLY 253 N -0.00 -1.58 0.22 3.28 0.00 -0.54 -4.11 105.19 102.45 3krf n GLY 253 Ca 0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 3krf n GLY 253 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3krf h VAL 254 N 0.00 1.21 -0.03 1.61 2.07 -1.87 0.77 116.25 120.02 3krf h VAL 254 Ca 0.00 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3krf h VAL 254 Cb 0.00 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3krf h VAL 254 CO 0.00 0.25 -0.32 -0.08 0.02 0.00 0.00 177.57 177.44 3krf h GLU 255 N 0.59 -0.44 -0.07 1.57 4.81 -1.98 0.17 114.58 119.23 3krf h GLU 255 Ca 0.15 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3krf h GLU 255 Cb 0.23 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3krf h GLU 255 CO -0.01 -0.29 -0.45 0.87 -0.73 0.00 0.00 179.01 178.40 3krf h LYS 256 N -0.45 0.17 -0.76 1.92 6.56 -1.69 -1.13 116.57 121.19 3krf h LYS 256 Ca 0.07 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 3krf h LYS 256 Cb 0.55 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.18 3krf h LYS 256 CO -0.28 0.59 0.46 0.77 -2.06 0.00 0.00 179.45 178.93 3krf h SER 257 N 0.14 0.92 -0.28 0.86 0.02 0.32 0.74 113.55 116.28 3krf h SER 257 Ca 0.01 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 3krf h SER 257 Cb 0.86 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 3krf h SER 257 CO 0.07 0.72 -0.17 0.11 -1.14 0.00 0.00 176.83 176.42 3krf h LYS 258 N 1.05 0.72 -0.69 3.45 1.57 -0.26 0.21 116.57 122.62 3krf h LYS 258 Ca 0.27 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3krf h LYS 258 Cb -0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3krf h LYS 258 CO -0.05 0.85 0.14 1.49 -0.57 0.00 0.00 179.45 181.31 3krf h GLU 259 N 0.64 1.12 -0.44 3.15 4.81 -0.54 -2.19 114.58 121.13 3krf h GLU 259 Ca 0.10 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 3krf h GLU 259 Cb 0.64 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3krf h GLU 259 CO 0.05 1.01 0.14 0.35 -0.73 0.00 0.00 179.01 179.82 3krf h PHE 260 N 1.06 0.70 -0.56 0.92 3.57 -0.23 -0.97 116.94 121.43 3krf h PHE 260 Ca 0.21 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3krf h PHE 260 Cb 0.41 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3krf h PHE 260 CO 0.03 0.64 0.30 0.00 -2.23 0.00 0.00 178.31 177.04 3krf h ALA 261 N 0.99 0.72 -0.44 2.41 0.00 -0.71 0.18 119.26 122.41 3krf h ALA 261 Ca 0.14 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3krf h ALA 261 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3krf h ALA 261 CO -0.00 -0.04 -0.06 -0.44 0.00 0.00 0.00 179.25 178.71 3krf h ASP 262 N 0.57 0.74 -0.10 0.00 3.32 -1.19 0.91 116.42 120.66 3krf h ASP 262 Ca 0.25 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3krf h ASP 262 Cb 0.14 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3krf h ASP 262 CO -0.16 0.84 0.01 0.03 -1.72 0.00 0.00 179.24 178.24 3krf h ARG 263 N 0.70 0.16 -0.25 3.56 3.08 -0.20 -0.95 114.38 120.48 3krf h ARG 263 Ca 0.13 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.19 3krf h ARG 263 Cb 0.51 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 3krf h ARG 263 CO 0.03 0.39 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.13 3krf h LEU 264 N -0.08 -0.38 -0.30 3.04 3.38 -0.20 0.55 115.31 121.32 3krf h LEU 264 Ca 0.03 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3krf h LEU 264 Cb 0.30 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3krf h LEU 264 CO 0.00 -0.15 0.14 -1.13 0.09 0.00 0.00 178.44 177.39 3krf h ASN 265 N -0.08 0.19 -0.54 -0.43 -1.24 -0.73 0.27 115.58 113.03 3krf h ASN 265 Ca 0.13 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3krf h ASN 265 Cb 0.28 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.29 3krf h ASN 265 CO -0.30 0.15 0.34 -0.09 -1.29 0.00 0.00 177.43 176.23 3krf h ARG 266 N 0.29 0.72 -0.38 6.67 2.43 -0.70 -1.94 114.38 121.47 3krf h ARG 266 Ca 0.13 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3krf h ARG 266 Cb 0.06 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3krf h ARG 266 CO -0.10 0.50 0.17 1.49 -1.51 0.00 0.00 179.97 180.52 3krf h GLU 267 N 0.72 0.55 -0.09 0.20 4.57 -0.51 -0.20 114.58 119.83 3krf h GLU 267 Ca 0.19 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.33 3krf h GLU 267 Cb -0.04 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.39 3krf h GLU 267 CO -0.04 0.50 -0.30 0.00 -1.18 0.00 0.00 179.01 178.00 3krf h ALA 268 N 1.02 -0.36 -0.63 2.92 0.00 -0.76 -2.09 119.26 119.35 3krf h ALA 268 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3krf h ALA 268 Cb 0.14 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3krf h ALA 268 CO -0.01 -0.78 0.38 1.96 0.00 0.00 0.00 179.25 180.79 3krf h GLN 269 N -0.40 0.85 -0.67 0.00 4.20 -1.12 -2.07 115.11 115.91 3krf h GLN 269 Ca 0.09 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.81 3krf h GLN 269 Cb 0.53 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 3krf h GLN 269 CO -0.31 0.60 0.44 0.93 -0.67 0.00 0.00 178.83 179.83 3krf h GLU 270 N 0.87 0.55 -0.40 1.46 5.08 -0.35 -1.36 114.58 120.43 3krf h GLU 270 Ca 0.23 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3krf h GLU 270 Cb -0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3krf h GLU 270 CO -0.04 0.36 0.26 1.96 -1.00 0.00 0.00 179.01 180.55 3krf h GLN 271 N 0.56 0.45 -0.01 2.33 1.08 -1.02 -2.47 115.11 116.03 3krf h GLN 271 Ca 0.31 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3krf h GLN 271 Cb 0.45 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3krf h GLN 271 CO -0.10 0.30 -0.05 1.28 -0.95 0.00 0.00 178.83 179.31 3krf n LEU 272 N -4.48 0.89 0.11 1.46 4.77 -0.52 -4.35 117.00 114.89 3krf n LEU 272 Ca 0.04 -0.26 0.18 0.00 -0.03 0.00 0.00 56.01 55.94 3krf n LEU 272 Cb 0.12 -0.05 0.75 0.00 -2.33 0.00 0.00 43.42 41.92 3krf n LEU 272 CO 0.35 0.15 1.16 -0.07 -1.33 0.00 0.00 177.39 177.66 3krf h LEU 273 N 1.33 0.00 -2.75 2.23 3.38 -1.44 -2.73 115.31 115.34 3krf h LEU 273 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3krf h LEU 273 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3krf h LEU 273 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3krf n HIS 274 N -4.01 0.94 -2.89 1.13 8.25 -1.26 -4.96 115.22 112.41 3krf n HIS 274 Ca 0.05 -0.49 -0.20 0.00 -0.26 0.00 0.00 57.72 56.83 3krf n HIS 274 Cb 0.48 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.63 3krf n HIS 274 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3krf s PHE 275 N -1.01 2.12 0.23 4.41 0.40 -1.03 -5.01 117.98 118.09 3krf s PHE 275 Ca 0.47 -0.43 -0.31 0.00 -0.60 0.00 0.00 56.93 56.06 3krf s PHE 275 Cb 0.25 -2.48 -0.11 0.00 0.51 0.00 0.00 43.02 41.19 3krf s PHE 275 CO 0.32 -0.97 1.54 -1.01 0.70 0.00 0.00 175.22 175.81 3krf s HIS 276 N -2.66 2.96 0.37 0.36 3.76 -1.26 -4.83 115.29 113.99 3krf s HIS 276 Ca 0.60 0.78 0.14 0.00 -0.15 0.00 0.00 55.06 56.43 3krf s HIS 276 Cb -0.08 -3.94 1.00 0.00 1.11 0.00 0.00 32.58 30.67 3krf s HIS 276 CO 0.38 -3.27 1.76 -1.35 -0.85 0.00 0.00 174.74 171.42 3krf h PRO 277 N 5.71 0.48 0.00 8.40 0.11 -1.93 -0.98 132.00 143.78 3krf h PRO 277 Ca -0.45 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 3krf h PRO 277 Cb 1.21 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3krf h PRO 277 CO 0.84 0.32 -0.89 0.45 -0.21 0.00 0.00 178.00 178.50 3krf h HIS 278 N 0.49 0.00 0.00 0.65 3.86 -2.01 -2.44 115.15 115.71 3krf h HIS 278 Ca 0.60 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.70 3krf h HIS 278 Cb 1.34 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.79 3krf h HIS 278 CO -0.00 0.89 -0.94 0.00 0.86 0.00 0.00 177.93 178.74 3krf h ARG 279 N 0.00 0.00 0.00 2.45 3.08 -1.77 -3.27 114.38 114.86 3krf h ARG 279 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3krf h ARG 279 Cb 1.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 3krf h ARG 279 CO 0.12 0.28 -0.46 0.00 -1.07 0.00 0.00 179.97 178.84 3krf h ALA 280 N 1.59 0.75 -0.71 0.04 0.00 -1.17 -3.38 119.26 116.38 3krf h ALA 280 Ca -0.07 -0.35 0.14 0.00 0.00 0.00 0.00 54.91 54.62 3krf h ALA 280 Cb 1.37 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 3krf h ALA 280 CO 0.04 0.47 0.22 0.00 0.00 0.00 0.00 179.25 179.98 3krf h ALA 281 N 1.63 0.93 -0.56 0.00 0.00 -1.49 -0.02 119.26 119.76 3krf h ALA 281 Ca -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3krf h ALA 281 Cb 1.29 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3krf h ALA 281 CO 0.05 -0.27 0.33 -1.35 0.00 0.00 0.00 179.25 178.00 3krf h PRO 282 N 0.34 0.75 -0.12 0.00 0.11 -1.80 0.18 132.00 131.46 3krf h PRO 282 Ca 0.39 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.31 3krf h PRO 282 Cb 0.60 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3krf h PRO 282 CO -0.43 0.53 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.43 3krf h LEU 283 N 0.77 0.56 -0.53 2.35 3.38 -1.32 -0.52 115.31 120.00 3krf h LEU 283 Ca 0.20 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3krf h LEU 283 Cb -0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3krf h LEU 283 CO -0.04 1.06 0.30 0.40 0.09 0.00 0.00 178.44 180.25 3krf h ILE 284 N 0.08 1.18 -0.47 1.22 2.04 -0.94 -1.52 117.51 119.09 3krf h ILE 284 Ca -0.01 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3krf h ILE 284 Cb 1.01 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3krf h ILE 284 CO 0.08 0.19 0.20 0.00 0.00 0.00 0.00 178.15 178.62 3krf h ALA 285 N 1.13 1.46 -0.35 1.87 0.00 -0.54 -1.90 119.26 120.94 3krf h ALA 285 Ca 0.19 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3krf h ALA 285 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3krf h ALA 285 CO -0.03 0.41 -0.28 1.25 0.00 0.00 0.00 179.25 180.60 3krf h LEU 286 N 0.66 0.85 -0.23 0.00 5.85 -0.70 -0.81 115.31 120.92 3krf h LEU 286 Ca 0.16 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3krf h LEU 286 Cb 0.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3krf h LEU 286 CO -0.02 1.12 0.14 0.00 -0.34 0.00 0.00 178.44 179.34 3krf h ALA 287 N 0.76 0.29 -0.72 1.25 0.00 -0.72 -0.20 119.26 119.92 3krf h ALA 287 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3krf h ALA 287 Cb 0.85 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3krf h ALA 287 CO 0.07 -0.25 0.24 -0.91 0.00 0.00 0.00 179.25 178.40 3krf h ASN 288 N 0.29 1.03 -0.83 0.00 2.35 -1.34 -0.99 115.58 116.09 3krf h ASN 288 Ca 0.09 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3krf h ASN 288 Cb -0.01 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.05 3krf h ASN 288 CO -0.04 0.95 0.47 0.22 -1.65 0.00 0.00 177.43 177.38 3krf h TYR 289 N 1.07 1.13 -0.55 1.19 5.03 -0.71 0.86 116.97 124.98 3krf h TYR 289 Ca 0.24 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 3krf h TYR 289 Cb 0.27 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3krf h TYR 289 CO 0.02 0.77 0.25 0.82 -1.32 0.00 0.00 178.16 178.71 3krf h ILE 290 N 1.15 1.21 -0.36 1.81 2.04 -0.53 -1.92 117.51 120.91 3krf h ILE 290 Ca 0.29 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 3krf h ILE 290 Cb 0.01 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3krf h ILE 290 CO -0.05 0.24 -0.25 0.00 0.00 0.00 0.00 178.15 178.09 3krf h ALA 291 N 1.09 0.88 -0.32 1.87 0.00 -0.62 -3.31 119.26 118.85 3krf h ALA 291 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3krf h ALA 291 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3krf h ALA 291 CO -0.02 0.63 0.00 0.66 0.00 0.00 0.00 179.25 180.52 3krf n TYR 292 N -4.10 0.40 -1.50 0.00 0.53 0.24 -5.00 117.16 107.73 3krf n TYR 292 Ca -0.00 -0.25 -0.48 0.00 -1.02 0.00 0.00 57.90 56.15 3krf n TYR 292 Cb 0.44 -0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.72 3krf n TYR 292 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3krf n ARG 293 N 1.20 0.68 0.03 -0.72 1.74 -0.73 -4.84 116.66 114.02 3krf n ARG 293 Ca 0.16 0.24 -0.12 0.00 -0.77 0.00 0.00 57.85 57.36 3krf n ARG 293 Cb 0.53 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 3krf n ARG 293 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3krf h ASP 294 N 1.92 0.18 0.00 0.55 3.32 -1.94 -3.50 116.42 116.94 3krf h ASP 294 Ca -0.36 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.42 3krf h ASP 294 Cb 1.39 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3krf h ASP 294 CO 0.61 1.22 0.00 -0.46 -1.72 0.00 0.00 179.24 178.89