#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7pck s TYR 2 N 0.00 1.40 0.13 1.96 -0.85 -1.26 -5.09 117.35 113.64 7pck s TYR 2 Ca 0.00 -0.60 -0.29 0.00 -0.52 0.00 0.00 57.07 55.66 7pck s TYR 2 Cb 0.00 -0.72 -0.06 0.00 0.38 0.00 0.00 41.96 41.56 7pck s TYR 2 CO 0.00 0.15 0.94 -1.25 -1.52 0.00 0.00 175.55 173.87 7pck s PRO 3 N -2.97 4.70 -0.05 -3.49 0.04 -1.26 -5.01 135.00 126.96 7pck s PRO 3 Ca 0.12 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 7pck s PRO 3 Cb -0.03 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 7pck s PRO 3 CO 0.03 0.28 1.69 -1.83 0.04 0.00 0.00 177.00 177.20 7pck s GLU 4 N -0.23 4.17 0.59 4.56 1.03 -1.26 -4.90 118.70 122.66 7pck s GLU 4 Ca 0.45 2.22 0.29 0.00 0.03 0.00 0.00 54.97 57.96 7pck s GLU 4 Cb -0.23 -4.01 1.62 0.00 -0.80 0.00 0.00 34.13 30.71 7pck s GLU 4 CO 0.29 -0.87 2.05 0.93 -1.33 0.00 0.00 175.26 176.34 7pck h GLU 5 N 9.68 0.00 0.03 -4.83 5.08 -2.02 -1.80 114.58 120.72 7pck h GLU 5 Ca -0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 7pck h GLU 5 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 7pck h GLU 5 CO 0.95 0.00 -0.02 0.82 -1.00 0.00 0.00 179.01 179.77 7pck h ILE 6 N 0.00 0.97 0.00 3.13 2.04 -2.05 -2.95 117.51 118.65 7pck h ILE 6 Ca 0.11 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.96 7pck h ILE 6 Cb 0.64 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 7pck h ILE 6 CO -0.00 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.33 7pck n LEU 7 N -5.11 0.00 -0.04 1.44 4.77 -0.68 -4.08 117.00 113.31 7pck n LEU 7 Ca -0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 7pck n LEU 7 Cb 0.05 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 7pck n LEU 7 CO 0.33 0.00 0.51 0.44 -1.33 0.00 0.00 177.39 177.34 7pck h ASP 8 N 0.00 -1.75 -0.61 -1.43 5.19 -1.60 0.21 116.42 116.43 7pck h ASP 8 Ca 0.00 0.21 0.11 0.00 -0.62 0.00 0.00 57.03 56.73 7pck h ASP 8 Cb 0.00 0.69 -0.04 0.00 0.18 0.00 0.00 39.33 40.17 7pck h ASP 8 CO 0.00 -0.46 0.41 0.71 -3.12 0.00 0.00 179.24 176.77 7pck h THR 9 N -0.54 0.88 -0.03 0.35 1.35 -1.84 -2.39 112.91 110.69 7pck h THR 9 Ca 0.04 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.75 7pck h THR 9 Cb 0.66 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 7pck h THR 9 CO -0.48 0.07 -0.06 0.45 -0.25 0.00 0.00 175.52 175.25 7pck h HIS 10 N 0.38 0.13 -0.82 4.73 3.86 -1.32 -2.35 115.15 119.76 7pck h HIS 10 Ca 0.28 -0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.55 7pck h HIS 10 Cb 0.59 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.96 7pck h HIS 10 CO -0.00 0.64 0.45 2.35 0.86 0.00 0.00 177.93 182.23 7pck h TRP 11 N -0.43 0.81 -0.76 2.45 2.91 -0.20 0.27 115.95 121.00 7pck h TRP 11 Ca 0.00 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 7pck h TRP 11 Cb 0.64 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 7pck h TRP 11 CO 0.12 0.29 0.29 1.49 -1.03 0.00 0.00 178.44 179.61 7pck h GLU 12 N 0.73 1.14 -0.32 2.65 4.57 -1.44 -0.06 114.58 121.83 7pck h GLU 12 Ca 0.41 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 7pck h GLU 12 Cb 0.44 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 7pck h GLU 12 CO -0.28 0.93 0.02 1.25 -1.18 0.00 0.00 179.01 179.75 7pck h LEU 13 N 1.10 0.55 -0.23 1.64 6.46 -0.45 -1.53 115.31 122.84 7pck h LEU 13 Ca 0.25 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 7pck h LEU 13 Cb 0.23 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 7pck h LEU 13 CO -0.02 0.71 0.15 -0.25 -0.62 0.00 0.00 178.44 178.40 7pck h TRP 14 N 0.37 0.30 -0.31 1.25 7.01 -0.25 0.68 115.95 125.00 7pck h TRP 14 Ca 0.09 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.13 7pck h TRP 14 Cb 0.41 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 7pck h TRP 14 CO 0.03 0.21 0.11 0.87 -2.79 0.00 0.00 178.44 176.88 7pck h LYS 15 N 0.30 0.24 0.39 2.65 1.57 -0.91 -1.33 116.57 119.48 7pck h LYS 15 Ca 0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 7pck h LYS 15 Cb -0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 7pck h LYS 15 CO -0.02 0.16 -0.24 0.87 -0.57 0.00 0.00 179.45 179.66 7pck h LYS 16 N 0.25 -0.58 -0.58 3.15 1.79 -1.04 -1.04 116.57 118.52 7pck h LYS 16 Ca 0.14 0.04 0.17 0.00 -2.18 0.00 0.00 60.65 58.82 7pck h LYS 16 Cb 0.10 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 7pck h LYS 16 CO -0.14 -0.38 0.48 1.15 -1.08 0.00 0.00 179.45 179.48 7pck h THR 17 N -0.60 0.54 -0.08 -0.16 2.02 -0.51 -2.02 112.91 112.10 7pck h THR 17 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 7pck h THR 17 Cb 0.49 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 7pck h THR 17 CO 0.05 0.00 -0.11 1.41 0.37 0.00 0.00 175.52 177.24 7pck n HIS 18 N -4.08 0.26 -3.66 3.16 8.25 -0.53 -4.97 115.22 113.65 7pck n HIS 18 Ca 0.11 -1.14 -0.27 0.00 -0.26 0.00 0.00 57.72 56.17 7pck n HIS 18 Cb 0.71 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 7pck n HIS 18 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 7pck n ARG 19 N -1.19 -2.84 -2.68 -0.41 -4.01 -0.56 -4.89 116.66 100.10 7pck n ARG 19 Ca 0.19 0.34 -0.42 0.00 -1.04 0.00 0.00 57.85 56.92 7pck n ARG 19 Cb 0.73 -5.01 -0.03 0.00 -3.04 0.00 0.00 32.46 25.11 7pck n ARG 19 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 7pck s LYS 20 N -6.31 4.56 0.05 2.89 -0.14 -0.50 -5.05 119.74 115.24 7pck s LYS 20 Ca 0.51 1.47 0.03 0.00 -1.36 0.00 0.00 55.97 56.62 7pck s LYS 20 Cb -0.28 -3.43 -0.02 0.00 -1.68 0.00 0.00 37.83 32.41 7pck s LYS 20 CO 0.62 -0.04 -0.09 -0.65 -0.76 0.00 0.00 175.35 174.43 7pck s GLN 21 N 0.88 0.61 -0.02 1.68 1.11 -1.26 -4.76 119.66 117.89 7pck s GLN 21 Ca 0.52 -0.77 0.02 0.00 0.01 0.00 0.00 55.36 55.14 7pck s GLN 21 Cb -0.22 -0.45 0.01 0.00 -1.01 0.00 0.00 33.01 31.33 7pck s GLN 21 CO 0.28 0.09 -0.06 0.71 0.01 0.00 0.00 175.29 176.32 7pck s TYR 22 N -1.26 0.72 0.05 0.91 2.02 -1.26 -5.07 117.35 113.46 7pck s TYR 22 Ca -0.07 -0.17 -0.33 0.00 -0.37 0.00 0.00 57.07 56.13 7pck s TYR 22 Cb -0.09 -0.54 -0.18 0.00 -0.40 0.00 0.00 41.96 40.74 7pck s TYR 22 CO 0.01 -0.09 1.45 -0.91 -1.57 0.00 0.00 175.55 174.44 7pck h ASN 23 N 6.48 -1.02 -2.66 2.29 2.35 -2.01 -3.45 115.58 117.55 7pck h ASN 23 Ca -0.33 0.04 -0.51 0.00 -0.55 0.00 0.00 56.30 54.94 7pck h ASN 23 Cb 1.17 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.79 7pck h ASN 23 CO 0.49 -0.71 -0.34 0.20 -1.65 0.00 0.00 177.43 175.42 7pck s ASN 24 N -3.90 6.35 0.37 5.81 0.01 -1.26 -4.97 114.94 117.35 7pck s ASN 24 Ca -0.18 0.31 0.20 0.00 -0.71 0.00 0.00 52.86 52.49 7pck s ASN 24 Cb 0.02 -1.97 0.40 0.00 0.41 0.00 0.00 41.25 40.11 7pck s ASN 24 CO 0.53 -0.09 1.60 0.11 -1.51 0.00 0.00 177.10 177.75 7pck h LYS 25 N 1.60 0.00 0.03 -0.60 1.79 -1.98 0.47 116.57 117.88 7pck h LYS 25 Ca -0.49 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 7pck h LYS 25 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 7pck h LYS 25 CO 0.65 0.29 -0.02 0.28 -1.08 0.00 0.00 179.45 179.57 7pck h VAL 26 N 0.00 1.30 -0.44 0.50 2.07 -1.99 -0.74 116.25 116.95 7pck h VAL 26 Ca -0.00 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.49 7pck h VAL 26 Cb 1.09 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.82 7pck h VAL 26 CO 0.04 0.28 0.08 -0.78 0.02 0.00 0.00 177.57 177.21 7pck h ASP 27 N -0.53 -0.00 0.27 0.57 3.58 -1.90 -1.60 116.42 116.80 7pck h ASP 27 Ca -0.00 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 7pck h ASP 27 Cb 0.49 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 7pck h ASP 27 CO 0.01 0.03 -0.18 -0.08 -2.88 0.00 0.00 179.24 176.14 7pck h GLU 28 N 0.22 -0.42 -0.45 0.28 4.81 -0.85 -2.23 114.58 115.94 7pck h GLU 28 Ca 0.22 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.56 7pck h GLU 28 Cb 0.27 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.67 7pck h GLU 28 CO -0.29 -0.28 -0.04 0.82 -0.73 0.00 0.00 179.01 178.49 7pck h ILE 29 N -0.44 0.61 -0.88 2.32 1.08 -0.80 0.19 117.51 119.60 7pck h ILE 29 Ca -0.02 -0.02 0.13 0.00 -0.39 0.00 0.00 64.86 64.55 7pck h ILE 29 Cb 0.37 0.54 -0.09 0.00 -3.07 0.00 0.00 36.82 34.57 7pck h ILE 29 CO 0.01 0.01 0.50 -1.28 -0.69 0.00 0.00 178.15 176.70 7pck h SER 30 N 0.07 0.67 -0.04 1.72 0.87 -1.03 -0.64 113.55 115.16 7pck h SER 30 Ca 0.22 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 7pck h SER 30 Cb 0.33 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 7pck h SER 30 CO -0.41 0.33 -0.03 0.03 -0.53 0.00 0.00 176.83 176.22 7pck h ARG 31 N 0.76 0.09 -0.98 2.24 2.47 -0.57 -3.00 114.38 115.38 7pck h ARG 31 Ca 0.46 -0.04 0.22 0.00 -1.26 0.00 0.00 59.98 59.35 7pck h ARG 31 Cb 0.54 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.77 7pck h ARG 31 CO -0.31 0.53 0.62 -0.09 0.56 0.00 0.00 179.97 181.29 7pck h ARG 32 N -0.35 0.53 0.00 0.04 9.65 0.13 0.40 114.38 124.77 7pck h ARG 32 Ca 0.01 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 7pck h ARG 32 Cb 0.51 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 7pck h ARG 32 CO 0.01 0.35 -0.49 -0.07 2.80 0.00 0.00 179.97 182.57 7pck h LEU 33 N 0.54 0.00 -0.02 3.80 3.38 -1.07 -1.76 115.31 120.19 7pck h LEU 33 Ca 0.55 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.43 7pck h LEU 33 Cb 1.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.92 7pck h LEU 33 CO -0.29 0.49 -0.33 0.40 0.09 0.00 0.00 178.44 178.80 7pck h ILE 34 N 0.00 1.49 -0.47 1.22 2.04 -0.16 -2.31 117.51 119.32 7pck h ILE 34 Ca -0.00 -1.91 0.08 0.00 1.00 0.00 0.00 64.86 64.03 7pck h ILE 34 Cb 0.91 2.63 -0.07 0.00 -0.74 0.00 0.00 36.82 39.54 7pck h ILE 34 CO 0.06 0.53 0.04 -0.25 0.00 0.00 0.00 178.15 178.54 7pck h TRP 35 N -0.35 0.06 -0.65 1.37 7.01 -0.99 -0.20 115.95 122.19 7pck h TRP 35 Ca -0.04 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 7pck h TRP 35 Cb 1.05 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 28.13 7pck h TRP 35 CO 0.16 -0.06 0.18 0.93 -2.79 0.00 0.00 178.44 176.86 7pck h GLU 36 N 0.16 1.01 -0.65 2.65 5.08 -1.36 0.15 114.58 121.62 7pck h GLU 36 Ca 0.24 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 7pck h GLU 36 Cb 0.33 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 7pck h GLU 36 CO -0.35 0.88 0.23 -0.22 -1.00 0.00 0.00 179.01 178.55 7pck h LYS 37 N 0.97 0.99 -0.16 2.33 3.64 -0.68 -2.55 116.57 121.12 7pck h LYS 37 Ca 0.21 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 7pck h LYS 37 Cb 0.32 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 7pck h LYS 37 CO -0.00 0.85 0.03 -0.91 -2.27 0.00 0.00 179.45 177.15 7pck h ASN 38 N 0.93 0.26 -0.96 4.20 2.35 -0.71 -2.57 115.58 119.07 7pck h ASN 38 Ca 0.21 -0.26 0.22 0.00 -0.55 0.00 0.00 56.30 55.93 7pck h ASN 38 Cb 0.25 -0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.44 7pck h ASN 38 CO -0.01 0.45 0.52 0.25 -1.65 0.00 0.00 177.43 176.99 7pck h LEU 39 N 0.05 0.56 -0.25 1.61 6.46 -0.78 0.22 115.31 123.18 7pck h LEU 39 Ca 0.05 0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 7pck h LEU 39 Cb 0.30 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 7pck h LEU 39 CO 0.00 0.09 0.03 0.50 -0.62 0.00 0.00 178.44 178.45 7pck h LYS 40 N 0.54 0.42 -0.41 1.25 3.64 -1.20 0.21 116.57 121.02 7pck h LYS 40 Ca 0.60 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.90 7pck h LYS 40 Cb 1.10 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 7pck h LYS 40 CO -0.48 0.55 0.19 -0.92 -2.27 0.00 0.00 179.45 176.52 7pck h TYR 41 N 0.22 0.35 0.51 1.91 3.20 -0.31 -0.45 116.97 122.40 7pck h TYR 41 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 7pck h TYR 41 Cb 0.34 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 7pck h TYR 41 CO 0.02 0.17 -0.33 0.82 -1.64 0.00 0.00 178.16 177.20 7pck h ILE 42 N 0.39 0.33 -0.99 1.81 2.04 -0.63 -0.31 117.51 120.15 7pck h ILE 42 Ca 0.18 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.10 7pck h ILE 42 Cb 0.11 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 7pck h ILE 42 CO -0.14 0.00 0.64 0.28 0.00 0.00 0.00 178.15 178.93 7pck h SER 43 N -0.81 1.03 0.86 1.72 0.02 -0.71 -1.02 113.55 114.64 7pck h SER 43 Ca -0.06 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.73 7pck h SER 43 Cb 0.66 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 7pck h SER 43 CO 0.05 0.66 -0.81 0.40 -1.14 0.00 0.00 176.83 175.99 7pck h ILE 44 N 1.17 1.56 -0.33 3.27 2.04 -1.02 -2.86 117.51 121.33 7pck h ILE 44 Ca 0.42 -2.82 -0.05 0.00 1.00 0.00 0.00 64.86 63.41 7pck h ILE 44 Cb 0.15 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 7pck h ILE 44 CO -0.16 0.80 -0.00 -0.74 0.00 0.00 0.00 178.15 178.05 7pck h HIS 45 N 0.00 0.64 0.00 1.37 2.76 -0.14 -2.43 115.15 117.36 7pck h HIS 45 Ca -0.01 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.01 7pck h HIS 45 Cb 1.47 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 7pck h HIS 45 CO 0.00 0.71 -0.17 -0.91 -1.30 0.00 0.00 177.93 176.26 7pck h ASN 46 N 0.40 0.00 0.20 3.26 4.21 -1.23 -1.26 115.58 121.16 7pck h ASN 46 Ca 0.09 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 7pck h ASN 46 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 7pck h ASN 46 CO 0.02 0.17 -0.10 0.25 -1.29 0.00 0.00 177.43 176.48 7pck h LEU 47 N 0.00 -0.23 -1.44 1.61 6.46 -1.21 -1.43 115.31 119.08 7pck h LEU 47 Ca -0.00 -0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.64 7pck h LEU 47 Cb 0.35 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 7pck h LEU 47 CO 0.02 0.08 0.46 -0.33 -0.62 0.00 0.00 178.44 178.05 7pck h GLU 48 N -0.55 0.64 -0.29 1.25 5.08 -1.11 -1.30 114.58 118.30 7pck h GLU 48 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 7pck h GLU 48 Cb 0.41 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 7pck h GLU 48 CO 0.05 0.43 0.17 0.00 -1.00 0.00 0.00 179.01 178.66 7pck h ALA 49 N 1.63 0.38 -0.01 3.43 0.00 -0.82 0.26 119.26 124.12 7pck h ALA 49 Ca 0.31 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 7pck h ALA 49 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 7pck h ALA 49 CO -0.10 -0.12 -0.27 0.66 0.00 0.00 0.00 179.25 179.42 7pck h SER 50 N 0.37 0.02 0.00 0.00 4.64 -0.22 -0.82 113.55 117.54 7pck h SER 50 Ca 0.11 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 7pck h SER 50 Cb 0.02 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 7pck h SER 50 CO -0.02 0.29 0.00 0.18 -0.87 0.00 0.00 176.83 176.41 7pck n LEU 51 N -4.21 0.12 -0.19 5.97 4.77 -0.59 -4.83 117.00 118.03 7pck n LEU 51 Ca -0.02 -0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 7pck n LEU 51 Cb 0.32 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 7pck n LEU 51 CO 0.38 0.03 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 7pck n GLY 52 N 0.43 0.53 0.08 -0.72 0.00 -0.31 -4.96 105.19 100.24 7pck n GLY 52 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 7pck n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 7pck h VAL 53 N 0.00 0.98 -4.03 1.61 2.07 -0.62 -3.47 116.25 112.78 7pck h VAL 53 Ca -0.05 -2.81 -0.46 0.00 0.82 0.00 0.00 66.70 64.20 7pck h VAL 53 Cb 0.25 2.49 -0.24 0.00 -1.52 0.00 0.00 31.29 32.27 7pck h VAL 53 CO 0.07 0.57 -0.80 -1.00 0.02 0.00 0.00 177.57 176.43 7pck s HIS 54 N -2.61 1.33 -1.16 1.57 3.76 -1.25 -4.92 115.29 112.00 7pck s HIS 54 Ca -0.04 -0.38 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 7pck s HIS 54 Cb 0.08 -0.78 0.34 0.00 1.11 0.00 0.00 32.58 33.33 7pck s HIS 54 CO 0.82 0.06 1.13 0.25 -0.85 0.00 0.00 174.74 176.15 7pck n THR 55 N 1.73 0.94 -3.75 1.30 -2.24 -1.26 -4.72 114.28 106.28 7pck n THR 55 Ca -0.19 -0.56 -0.09 0.00 -2.27 0.00 0.00 64.05 60.94 7pck n THR 55 Cb 0.54 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 7pck n THR 55 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 7pck s TYR 56 N -1.70 -0.11 0.15 4.78 1.13 -1.25 -1.72 117.35 118.62 7pck s TYR 56 Ca 0.23 -0.23 0.07 0.00 -1.41 0.00 0.00 57.07 55.73 7pck s TYR 56 Cb 0.16 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 7pck s TYR 56 CO 0.10 -0.94 -0.15 -1.21 -2.51 0.00 0.00 175.55 170.84 7pck s GLU 57 N -3.88 1.15 0.33 -3.49 2.02 -0.83 -4.82 118.70 109.18 7pck s GLU 57 Ca 0.10 -1.36 0.07 0.00 0.02 0.00 0.00 54.97 53.80 7pck s GLU 57 Cb -0.01 -1.06 -0.03 0.00 0.10 0.00 0.00 34.13 33.13 7pck s GLU 57 CO -0.02 0.20 0.27 -0.51 0.02 0.00 0.00 175.26 175.22 7pck s LEU 58 N -2.69 3.59 -0.01 1.80 1.02 -1.26 -1.31 118.68 119.81 7pck s LEU 58 Ca 0.14 -0.50 -0.22 0.00 0.02 0.00 0.00 54.13 53.57 7pck s LEU 58 Cb -0.04 -2.18 0.05 0.00 0.02 0.00 0.00 46.19 44.03 7pck s LEU 58 CO 0.05 -0.32 0.49 0.00 0.02 0.00 0.00 176.35 176.59 7pck s ALA 59 N -2.30 -1.25 -0.01 4.21 0.00 0.17 -4.76 121.76 117.82 7pck s ALA 59 Ca 0.40 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 7pck s ALA 59 Cb -0.06 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 7pck s ALA 59 CO 0.26 -0.36 1.32 1.41 0.00 0.00 0.00 175.76 178.40 7pck s MET 60 N -1.56 4.32 0.00 0.00 1.75 -1.26 -4.73 119.30 117.82 7pck s MET 60 Ca -0.11 1.86 0.00 0.00 -1.25 0.00 0.00 55.69 56.19 7pck s MET 60 Cb -0.02 -3.54 0.00 0.00 2.84 0.00 0.00 34.83 34.11 7pck s MET 60 CO 0.05 -0.51 0.00 0.27 -0.65 0.00 0.00 175.02 174.18 7pck n ASN 61 N 5.18 1.27 0.10 1.11 0.23 -1.26 -5.02 115.26 116.86 7pck n ASN 61 Ca 0.12 -0.79 0.10 0.00 -0.53 0.00 0.00 54.58 53.48 7pck n ASN 61 Cb 0.45 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.58 7pck n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 7pck n HIS 62 N 0.00 0.57 0.54 -2.53 1.44 -1.26 -1.40 115.22 112.58 7pck n HIS 62 Ca 0.00 0.23 0.07 0.00 -2.01 0.00 0.00 57.72 56.02 7pck n HIS 62 Cb 0.00 -0.87 0.20 0.00 0.12 0.00 0.00 29.99 29.44 7pck n HIS 62 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 7pck n LEU 63 N -2.03 2.45 -0.27 2.39 4.77 -1.26 -4.57 117.00 118.49 7pck n LEU 63 Ca 0.02 -1.23 0.08 0.00 -0.03 0.00 0.00 56.01 54.86 7pck n LEU 63 Cb 0.20 -0.31 0.22 0.00 -2.33 0.00 0.00 43.42 41.20 7pck n LEU 63 CO 0.17 0.61 0.97 1.23 -1.33 0.00 0.00 177.39 179.04 7pck h GLY 64 N 5.00 1.20 -2.72 -0.72 0.00 -1.63 -1.76 103.07 102.44 7pck h GLY 64 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 7pck h GLY 64 CO 0.00 -0.22 0.17 2.09 0.00 0.00 0.00 176.54 178.57 7pck n ASP 65 N -5.12 3.51 -4.24 0.19 5.75 -1.26 -3.75 116.55 111.62 7pck n ASP 65 Ca 0.17 -2.68 -0.25 0.00 -0.01 0.00 0.00 54.79 52.01 7pck n ASP 65 Cb 0.53 -0.64 -0.14 0.00 -1.03 0.00 0.00 41.12 39.83 7pck n ASP 65 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 7pck s MET 66 N -1.89 1.40 0.53 0.11 -1.94 -0.66 -4.73 119.30 112.12 7pck s MET 66 Ca 0.30 -0.91 -0.08 0.00 -1.71 0.00 0.00 55.69 53.29 7pck s MET 66 Cb 0.24 -1.49 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 7pck s MET 66 CO 0.07 0.38 0.88 0.95 -0.01 0.00 0.00 175.02 177.30 7pck s THR 67 N -0.77 4.82 0.18 2.05 -4.23 -1.26 -4.92 115.64 111.50 7pck s THR 67 Ca 0.07 0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 60.91 7pck s THR 67 Cb -0.09 -3.86 0.11 0.00 1.34 0.00 0.00 72.50 70.01 7pck s THR 67 CO 0.01 -0.94 1.63 -1.28 -0.54 0.00 0.00 174.62 173.50 7pck h SER 68 N 0.10 -0.71 -0.57 3.99 0.87 -1.95 -1.81 113.55 113.47 7pck h SER 68 Ca -0.46 0.16 0.11 0.00 -1.23 0.00 0.00 61.79 60.38 7pck h SER 68 Cb 1.20 0.39 -0.09 0.00 -0.44 0.00 0.00 62.40 63.45 7pck h SER 68 CO 0.62 -0.24 0.06 -0.33 -0.53 0.00 0.00 176.83 176.41 7pck h GLU 69 N -0.12 0.17 -0.88 2.24 3.07 -1.93 0.14 114.58 117.27 7pck h GLU 69 Ca 0.21 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.10 7pck h GLU 69 Cb 0.44 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.26 7pck h GLU 69 CO -0.51 0.11 0.57 0.93 -1.40 0.00 0.00 179.01 178.71 7pck h GLU 70 N 0.18 1.06 0.11 2.33 5.08 -1.73 0.34 114.58 121.94 7pck h GLU 70 Ca 0.30 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 7pck h GLU 70 Cb 0.45 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.46 7pck h GLU 70 CO -0.44 0.70 -0.05 0.28 -1.00 0.00 0.00 179.01 178.50 7pck h VAL 71 N 1.09 0.93 -0.58 3.13 2.07 -0.24 0.17 116.25 122.82 7pck h VAL 71 Ca 0.35 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 7pck h VAL 71 Cb 0.02 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 7pck h VAL 71 CO -0.12 0.04 0.34 0.58 0.02 0.00 0.00 177.57 178.43 7pck h VAL 72 N -0.22 1.17 0.38 2.57 2.07 -0.23 0.38 116.25 122.37 7pck h VAL 72 Ca -0.02 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 7pck h VAL 72 Cb 0.18 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 7pck h VAL 72 CO 0.03 0.18 -0.18 1.56 0.02 0.00 0.00 177.57 179.17 7pck h GLN 73 N 0.80 -0.50 0.00 1.57 4.20 0.16 -3.28 115.11 118.06 7pck h GLN 73 Ca 0.21 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.95 7pck h GLN 73 Cb -0.02 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.87 7pck h GLN 73 CO -0.04 -0.33 -0.08 0.87 -0.67 0.00 0.00 178.83 178.58 7pck h LYS 74 N -0.76 0.00 0.00 1.46 1.57 -0.65 -3.39 116.57 114.79 7pck h LYS 74 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 7pck h LYS 74 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 7pck h LYS 74 CO 0.09 0.00 -0.01 -1.33 -0.57 0.00 0.00 179.45 177.63 7pck n MET 75 N -2.77 1.27 0.00 3.15 2.81 0.13 -1.08 117.12 120.63 7pck n MET 75 Ca 0.04 -2.56 0.00 0.00 -1.81 0.00 0.00 57.70 53.37 7pck n MET 75 Cb 0.50 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 7pck n MET 75 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 7pck n THR 76 N -1.42 0.00 0.00 2.03 -2.24 -1.24 -4.82 114.28 106.59 7pck n THR 76 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 7pck n THR 76 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 7pck n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 7pck n GLY 77 N 5.00 1.08 3.71 3.38 0.00 -1.26 -2.17 105.19 114.94 7pck n GLY 77 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 7pck n GLY 77 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 7pck s LEU 78 N 0.00 4.32 -0.40 0.99 1.98 -1.24 -0.10 118.68 124.23 7pck s LEU 78 Ca 0.00 1.26 0.04 0.00 -2.89 0.00 0.00 54.13 52.54 7pck s LEU 78 Cb 0.00 -3.17 0.11 0.00 0.66 0.00 0.00 46.19 43.79 7pck s LEU 78 CO 0.00 -0.16 0.12 -1.59 -1.89 0.00 0.00 176.35 172.83 7pck s LYS 79 N 0.92 1.64 0.49 1.98 0.00 -0.19 -4.71 119.74 119.88 7pck s LYS 79 Ca 0.40 -2.10 -0.21 0.00 0.00 0.00 0.00 55.97 54.06 7pck s LYS 79 Cb -0.18 -3.25 -0.10 0.00 0.00 0.00 0.00 37.83 34.30 7pck s LYS 79 CO 0.19 -0.99 0.74 1.55 0.00 0.00 0.00 175.35 176.84 7pck n VAL 80 N 3.92 2.40 -0.96 1.79 3.14 -1.26 -4.10 118.33 123.26 7pck n VAL 80 Ca 0.04 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.63 7pck n VAL 80 Cb 0.39 -0.85 0.17 0.00 -1.06 0.00 0.00 33.84 32.49 7pck n VAL 80 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 7pck s PRO 81 N -2.02 0.61 -0.38 1.45 0.04 -1.26 -5.03 135.00 128.41 7pck s PRO 81 Ca 0.67 0.92 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 7pck s PRO 81 Cb -0.52 -1.73 0.21 0.00 0.04 0.00 0.00 34.50 32.50 7pck s PRO 81 CO 0.55 -2.71 2.17 1.47 0.04 0.00 0.00 177.00 178.52 7pck n LEU 82 N -4.22 6.59 0.00 -3.56 -0.00 -1.26 -5.24 117.00 109.31 7pck n LEU 82 Ca 0.07 -3.55 0.00 0.00 -0.00 0.00 0.00 56.01 52.53 7pck n LEU 82 Cb 0.55 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 7pck n LEU 82 CO 0.55 1.35 0.00 0.54 -0.00 0.00 0.00 177.39 179.83 7pck n ARG 86 N 0.34 0.00 -3.19 1.47 1.74 -1.26 -5.15 116.66 110.61 7pck n ARG 86 Ca 0.37 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.25 7pck n ARG 86 Cb 0.58 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.98 7pck n ARG 86 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 7pck n SER 87 N -0.41 0.78 -0.12 0.55 2.88 -1.26 -5.01 113.62 111.02 7pck n SER 87 Ca 0.00 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 7pck n SER 87 Cb 0.00 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 7pck n SER 87 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 7pck n ASN 88 N 0.58 0.00 0.00 -3.46 3.02 -1.26 -4.70 115.26 109.44 7pck n ASN 88 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 7pck n ASN 88 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 7pck n ASN 88 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 7pck n ASP 89 N 0.49 0.00 -0.37 6.41 5.68 -1.26 -3.10 116.55 124.40 7pck n ASP 89 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 7pck n ASP 89 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 7pck n ASP 89 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 7pck n THR 90 N 0.00 0.00 -2.68 2.12 -2.24 -1.26 -4.40 114.28 105.82 7pck n THR 90 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 7pck n THR 90 Cb 0.00 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 67.94 7pck n THR 90 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 7pck n LEU 91 N 0.00 6.14 -4.06 3.22 7.94 -1.18 -4.99 117.00 124.07 7pck n LEU 91 Ca 0.00 -5.44 -0.23 0.00 -1.11 0.00 0.00 56.01 49.23 7pck n LEU 91 Cb 0.12 -0.89 -0.16 0.00 0.53 0.00 0.00 43.42 43.03 7pck n LEU 91 CO 0.00 2.15 -0.46 -0.31 -1.11 0.00 0.00 177.39 177.66 7pck s TYR 92 N -3.94 1.26 -0.59 1.96 1.51 -1.26 -1.89 117.35 114.40 7pck s TYR 92 Ca 0.44 -0.32 -0.21 0.00 -1.01 0.00 0.00 57.07 55.97 7pck s TYR 92 Cb 0.26 -0.86 0.07 0.00 -0.11 0.00 0.00 41.96 41.32 7pck s TYR 92 CO -0.16 -0.11 0.83 -1.50 -1.11 0.00 0.00 175.55 173.49 7pck s ILE 93 N 0.07 4.56 -1.19 2.71 2.07 -0.36 -4.88 121.20 124.18 7pck s ILE 93 Ca -0.02 -0.39 -0.18 0.00 -1.41 0.00 0.00 60.65 58.65 7pck s ILE 93 Cb -0.09 -4.53 0.09 0.00 0.13 0.00 0.00 42.46 38.06 7pck s ILE 93 CO 0.01 -1.17 1.56 -2.84 -1.91 0.00 0.00 174.94 170.59 7pck s PRO 94 N 3.43 3.90 0.00 3.50 0.02 -1.26 -4.39 135.00 140.20 7pck s PRO 94 Ca 0.20 -1.92 0.00 0.00 0.02 0.00 0.00 61.00 59.30 7pck s PRO 94 Cb -0.18 -5.35 0.00 0.00 0.02 0.00 0.00 34.50 28.99 7pck s PRO 94 CO 0.12 -2.10 0.00 -0.85 -0.33 0.00 0.00 177.00 173.83 7pck n GLU 95 N 7.76 0.00 0.00 5.54 0.00 -1.26 -4.92 120.64 127.76 7pck n GLU 95 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.57 7pck n GLU 95 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.91 7pck n GLU 95 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 7pck n TRP 96 N 0.03 0.00 -1.72 -1.84 5.03 -1.26 -5.11 117.44 112.56 7pck n TRP 96 Ca 0.00 0.00 -0.38 0.00 3.03 0.00 0.00 57.50 60.15 7pck n TRP 96 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 31.31 30.33 7pck n TRP 96 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 7pck n GLU 97 N 0.00 1.50 0.00 -0.99 -0.58 -1.26 -4.90 120.64 114.41 7pck n GLU 97 Ca 0.00 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 7pck n GLU 97 Cb 0.00 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 28.36 7pck n GLU 97 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 7pck n GLY 98 N 0.85 -0.87 1.44 0.62 0.00 -1.26 -5.10 105.19 100.87 7pck n GLY 98 Ca 0.12 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.80 7pck n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 7pck n ARG 99 N 0.00 0.00 0.00 1.61 0.63 -1.26 -5.18 116.66 112.46 7pck n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 7pck n ARG 99 Cb 0.00 -0.09 0.00 0.00 0.45 0.00 0.00 32.46 32.82 7pck n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 7pck n ALA 1 N -2.83 -1.85 -1.77 5.13 0.00 -1.26 -5.00 120.51 112.94 7pck n ALA 1 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 7pck n ALA 1 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 7pck n ALA 1 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 7pck s PRO 2 N -4.98 4.43 0.56 0.00 0.02 -1.26 -4.92 135.00 128.85 7pck s PRO 2 Ca 0.00 2.00 0.33 0.00 0.02 0.00 0.00 61.00 63.35 7pck s PRO 2 Cb 0.00 -3.07 1.60 0.00 0.02 0.00 0.00 34.50 33.05 7pck s PRO 2 CO 0.00 -0.04 2.09 -0.44 -0.33 0.00 0.00 177.00 178.28 7pck h ASP 3 N 3.46 0.00 -4.51 2.53 5.19 -1.96 -3.43 116.42 117.70 7pck h ASP 3 Ca -0.48 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.78 7pck h ASP 3 Cb 1.22 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.50 7pck h ASP 3 CO 0.66 0.07 -0.46 -0.44 -3.12 0.00 0.00 179.24 175.95 7pck s SER 4 N -5.81 -0.10 -0.11 6.45 0.01 -1.26 -4.36 113.70 108.52 7pck s SER 4 Ca -0.02 0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.24 7pck s SER 4 Cb 0.12 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.69 7pck s SER 4 CO 0.54 -0.26 0.28 -0.69 0.41 0.00 0.00 173.24 173.52 7pck s VAL 5 N -0.78 -0.01 -0.36 3.43 1.01 -0.16 -4.97 120.40 118.56 7pck s VAL 5 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.96 7pck s VAL 5 Cb -0.05 -0.41 0.15 0.00 0.00 0.00 0.00 36.38 36.07 7pck s VAL 5 CO 0.01 0.02 0.33 -0.62 0.00 0.00 0.00 175.10 174.84 7pck s ASP 6 N 0.49 1.63 0.10 3.32 -1.08 -1.26 -0.49 116.67 119.38 7pck s ASP 6 Ca -0.03 -1.70 0.06 0.00 -0.52 0.00 0.00 52.55 50.37 7pck s ASP 6 Cb -0.04 0.32 0.35 0.00 -1.46 0.00 0.00 42.92 42.09 7pck s ASP 6 CO -0.03 -0.28 1.20 -1.22 0.52 0.00 0.00 175.17 175.36 7pck n TYR 7 N 4.24 0.22 -0.03 -5.34 4.01 -0.45 -1.05 117.16 118.75 7pck n TYR 7 Ca 0.11 0.12 -0.05 0.00 -0.16 0.00 0.00 57.90 57.91 7pck n TYR 7 Cb 0.43 -0.68 0.16 0.00 -0.31 0.00 0.00 39.34 38.94 7pck n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 7pck h ARG 8 N 0.00 0.61 -0.00 -0.72 3.08 -1.94 -2.21 114.38 113.20 7pck h ARG 8 Ca 0.00 -0.23 -0.18 0.00 0.07 0.00 0.00 59.98 59.64 7pck h ARG 8 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 7pck h ARG 8 CO 0.00 0.78 -0.83 0.87 -1.07 0.00 0.00 179.97 179.72 7pck h LYS 9 N 0.55 0.10 -0.03 0.04 1.57 -1.50 -3.19 116.57 114.11 7pck h LYS 9 Ca 0.08 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 7pck h LYS 9 Cb 0.66 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.00 7pck h LYS 9 CO 0.05 0.87 0.00 1.63 -0.57 0.00 0.00 179.45 181.43 7pck n LYS 10 N -3.64 1.09 -2.11 3.15 5.02 -1.08 -4.89 118.16 115.70 7pck n LYS 10 Ca -0.02 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.03 7pck n LYS 10 Cb 0.78 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.59 7pck n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 7pck n GLY 11 N 0.72 0.06 0.00 0.72 0.00 -1.15 -4.92 105.19 100.63 7pck n GLY 11 Ca 0.09 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.74 7pck n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 7pck n TYR 12 N -3.88 0.00 -4.44 1.61 4.02 -0.85 -4.82 117.16 108.79 7pck n TYR 12 Ca -0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.42 7pck n TYR 12 Cb 0.57 -0.05 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 7pck n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 7pck s VAL 13 N -2.91 4.14 0.42 -0.72 1.01 -1.23 -4.12 120.40 117.00 7pck s VAL 13 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 7pck s VAL 13 Cb 0.15 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 7pck s VAL 13 CO 0.81 0.60 0.65 0.42 0.00 0.00 0.00 175.10 177.58 7pck s THR 14 N -0.83 4.38 0.47 3.92 -4.23 -1.26 -4.99 115.64 113.09 7pck s THR 14 Ca 0.13 -0.43 -0.22 0.00 -1.18 0.00 0.00 61.69 59.98 7pck s THR 14 Cb -0.11 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.02 7pck s THR 14 CO 0.02 -0.44 0.93 -2.65 -0.54 0.00 0.00 174.62 171.94 7pck n PRO 15 N -2.01 1.14 -1.91 3.99 -0.02 -1.26 -4.88 135.00 130.05 7pck n PRO 15 Ca -0.00 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 7pck n PRO 15 Cb 0.57 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 7pck n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 7pck s VAL 16 N -1.37 2.83 0.44 -1.45 1.01 -1.26 -4.99 120.40 115.61 7pck s VAL 16 Ca 0.66 0.42 0.07 0.00 0.00 0.00 0.00 61.98 63.14 7pck s VAL 16 Cb -0.52 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 7pck s VAL 16 CO 0.55 0.01 0.34 -0.54 0.00 0.00 0.00 175.10 175.46 7pck s LYS 17 N 2.09 2.40 -0.13 2.72 1.02 -1.26 -4.44 119.74 122.14 7pck s LYS 17 Ca 0.73 -1.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.01 7pck s LYS 17 Cb -0.42 -2.23 0.03 0.00 -0.52 0.00 0.00 37.83 34.69 7pck s LYS 17 CO 0.32 -0.27 -0.05 1.21 -0.92 0.00 0.00 175.35 175.65 7pck s ASN 18 N -4.11 2.30 0.00 2.83 3.04 -1.24 -1.25 114.94 116.50 7pck s ASN 18 Ca 0.44 -0.40 0.00 0.00 0.04 0.00 0.00 52.86 52.94 7pck s ASN 18 Cb -0.01 -0.76 0.00 0.00 -1.54 0.00 0.00 41.25 38.93 7pck s ASN 18 CO 0.25 -0.17 0.00 0.00 -3.04 0.00 0.00 177.10 174.15 7pck n GLN 19 N 4.97 0.00 -0.95 0.43 10.64 0.11 -4.88 117.38 127.69 7pck n GLN 19 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 7pck n GLN 19 Cb 0.49 -0.11 0.00 0.00 -0.86 0.00 0.00 30.24 29.76 7pck n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 7pck n GLY 20 N 2.76 -4.19 3.65 2.61 0.00 -1.26 -4.81 105.19 103.95 7pck n GLY 20 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 7pck n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 7pck n GLN 21 N 0.47 -6.74 -3.27 1.61 1.13 -0.90 -4.96 117.38 104.72 7pck n GLN 21 Ca 0.00 0.75 0.03 0.00 -1.94 0.00 0.00 57.00 55.84 7pck n GLN 21 Cb 0.00 -5.70 -0.04 0.00 0.11 0.00 0.00 30.24 24.61 7pck n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 7pck n GLY 23 N 4.47 3.61 1.36 0.00 0.00 0.75 -4.47 105.19 110.90 7pck n GLY 23 Ca -0.08 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 44.74 7pck n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 7pck n SER 24 N 4.69 4.17 -0.30 1.61 3.41 -1.13 -2.80 113.62 123.27 7pck n SER 24 Ca 0.58 -3.18 0.01 0.00 -0.26 0.00 0.00 58.87 56.02 7pck n SER 24 Cb 0.24 -0.63 0.20 0.00 -0.26 0.00 0.00 64.21 63.75 7pck n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 7pck h TRP 26 N 1.13 1.13 0.17 0.00 5.08 -1.82 0.41 115.95 122.06 7pck h TRP 26 Ca 0.35 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.35 7pck h TRP 26 Cb 0.01 -0.37 0.00 0.00 -3.00 0.00 0.00 29.16 25.80 7pck h TRP 26 CO -0.00 0.59 -0.08 0.00 -1.28 0.00 0.00 178.44 177.66 7pck h ALA 27 N 1.43 -0.23 -0.88 0.11 0.00 -1.46 -1.52 119.26 116.70 7pck h ALA 27 Ca 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 7pck h ALA 27 Cb 0.15 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 7pck h ALA 27 CO -0.17 -0.62 0.52 0.74 0.00 0.00 0.00 179.25 179.72 7pck h PHE 28 N -0.25 1.16 -0.17 0.00 -1.00 -0.75 0.20 116.94 116.14 7pck h PHE 28 Ca -0.02 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 7pck h PHE 28 Cb 0.19 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 7pck h PHE 28 CO -0.06 0.78 0.06 1.03 -1.61 0.00 0.00 178.31 178.50 7pck h SER 29 N 1.22 0.25 0.18 2.17 0.87 -0.72 0.13 113.55 117.65 7pck h SER 29 Ca 0.31 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 7pck h SER 29 Cb -0.04 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 7pck h SER 29 CO -0.06 0.38 -0.14 0.28 -0.53 0.00 0.00 176.83 176.77 7pck h SER 30 N 0.11 -0.35 -0.71 6.23 0.02 -0.90 -1.26 113.55 116.68 7pck h SER 30 Ca 0.06 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 7pck h SER 30 Cb 0.22 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 7pck h SER 30 CO -0.00 -0.22 0.47 0.58 -1.14 0.00 0.00 176.83 176.52 7pck h VAL 31 N -0.33 0.91 -0.13 2.27 2.07 -0.87 -0.96 116.25 119.22 7pck h VAL 31 Ca -0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 7pck h VAL 31 Cb 0.29 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 7pck h VAL 31 CO -0.01 0.11 0.06 1.23 0.02 0.00 0.00 177.57 178.98 7pck h GLY 32 N 0.58 0.21 0.95 2.17 0.00 0.36 -1.24 103.07 106.09 7pck h GLY 32 Ca 0.33 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 7pck h GLY 32 CO -0.11 0.10 0.06 0.00 0.00 0.00 0.00 176.54 176.59 7pck h ALA 33 N 0.92 0.57 -0.09 3.60 0.00 -0.58 -2.83 119.26 120.85 7pck h ALA 33 Ca 0.04 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.75 7pck h ALA 33 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 7pck h ALA 33 CO -0.00 0.30 -0.08 -0.07 0.00 0.00 0.00 179.25 179.39 7pck h LEU 34 N 0.57 -0.25 -1.57 0.00 3.38 -1.07 -1.81 115.31 114.55 7pck h LEU 34 Ca 0.13 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.27 7pck h LEU 34 Cb 0.40 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 7pck h LEU 34 CO 0.01 -0.11 0.47 -0.33 0.09 0.00 0.00 178.44 178.57 7pck h GLU 35 N -0.10 0.44 -0.55 1.13 5.08 -1.15 0.19 114.58 119.63 7pck h GLU 35 Ca 0.06 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 7pck h GLU 35 Cb 0.19 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 7pck h GLU 35 CO -0.15 0.29 0.02 0.78 -1.00 0.00 0.00 179.01 178.94 7pck h GLY 36 N 0.45 0.99 1.61 -3.84 0.00 -1.09 -2.64 103.07 98.56 7pck h GLY 36 Ca 0.33 -0.68 -0.25 0.00 0.00 0.00 0.00 47.33 46.73 7pck h GLY 36 CO -0.10 0.63 -1.08 1.46 0.00 0.00 0.00 176.54 177.45 7pck h GLN 37 N 0.86 0.32 -0.30 4.80 7.50 -0.47 -2.37 115.11 125.45 7pck h GLN 37 Ca 0.16 -0.43 0.05 0.00 0.50 0.00 0.00 58.65 58.93 7pck h GLN 37 Cb 0.48 0.14 -0.04 0.00 0.05 0.00 0.00 27.48 28.11 7pck h GLN 37 CO 0.02 1.14 0.04 1.25 -1.50 0.00 0.00 178.83 179.78 7pck h LEU 38 N 0.14 -0.03 -0.21 1.46 6.46 -0.60 0.44 115.31 122.96 7pck h LEU 38 Ca -0.10 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 7pck h LEU 38 Cb 1.76 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.76 7pck h LEU 38 CO 0.18 0.02 -0.01 0.50 -0.62 0.00 0.00 178.44 178.51 7pck h LYS 39 N 0.14 0.38 -0.52 1.25 1.63 -1.29 0.11 116.57 118.28 7pck h LYS 39 Ca 0.14 -0.12 0.09 0.00 -0.85 0.00 0.00 60.65 59.91 7pck h LYS 39 Cb 0.16 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 7pck h LYS 39 CO -0.20 0.58 0.35 -0.22 -3.45 0.00 0.00 179.45 176.51 7pck h LYS 40 N 0.14 0.29 0.00 1.90 3.64 -0.90 0.16 116.57 121.81 7pck h LYS 40 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 7pck h LYS 40 Cb 0.41 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 7pck h LYS 40 CO 0.01 0.19 -0.36 1.17 -2.27 0.00 0.00 179.45 178.19 7pck n LYS 41 N -4.46 0.31 0.12 1.90 4.81 0.10 -4.59 118.16 116.35 7pck n LYS 41 Ca 0.08 0.42 0.13 0.00 -0.87 0.00 0.00 58.31 58.07 7pck n LYS 41 Cb 0.37 -1.37 0.35 0.00 0.02 0.00 0.00 35.03 34.40 7pck n LYS 41 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 7pck h THR 42 N -0.67 0.00 0.00 3.15 1.35 -0.84 -3.47 112.91 112.42 7pck h THR 42 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 7pck h THR 42 Cb 0.36 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 7pck h THR 42 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 7pck n GLY 43 N 1.27 1.88 3.84 5.82 0.00 0.58 -5.01 105.19 113.56 7pck n GLY 43 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 7pck n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7pck s LYS 44 N -0.28 3.26 -0.38 1.61 0.00 -1.26 -4.93 119.74 117.77 7pck s LYS 44 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 55.97 55.55 7pck s LYS 44 Cb 0.00 -3.00 0.06 0.00 0.00 0.00 0.00 37.83 34.89 7pck s LYS 44 CO 0.00 0.69 0.18 -1.17 0.00 0.00 0.00 175.35 175.05 7pck s LEU 45 N -1.59 4.77 0.22 2.77 2.96 -1.26 -2.77 118.68 123.78 7pck s LEU 45 Ca 0.22 -1.40 0.10 0.00 -0.22 0.00 0.00 54.13 52.83 7pck s LEU 45 Cb -0.12 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 7pck s LEU 45 CO 0.13 -0.44 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.84 7pck s LEU 46 N 1.38 2.85 -0.46 -0.68 1.43 -1.26 -5.09 118.68 116.85 7pck s LEU 46 Ca 0.01 -0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 52.15 7pck s LEU 46 Cb -0.21 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.57 7pck s LEU 46 CO 0.02 0.07 0.74 0.20 0.23 0.00 0.00 176.35 177.61 7pck s ASN 47 N -3.15 6.37 0.79 2.29 0.01 -1.26 -4.85 114.94 115.13 7pck s ASN 47 Ca 0.27 -0.24 -0.10 0.00 -0.71 0.00 0.00 52.86 52.07 7pck s ASN 47 Cb -0.07 -2.36 0.09 0.00 0.41 0.00 0.00 41.25 39.31 7pck s ASN 47 CO 0.15 -0.90 1.13 -0.76 -1.51 0.00 0.00 177.10 175.22 7pck s LEU 48 N 3.16 2.64 -0.36 0.60 1.43 -1.26 -0.20 118.68 124.69 7pck s LEU 48 Ca 0.27 0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 7pck s LEU 48 Cb -0.13 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 7pck s LEU 48 CO 0.21 -1.89 0.32 -0.55 0.23 0.00 0.00 176.35 174.67 7pck s SER 49 N -4.60 6.13 0.11 2.29 0.15 -0.50 -3.41 113.70 113.88 7pck s SER 49 Ca 0.63 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.88 7pck s SER 49 Cb -0.10 -2.18 -0.21 0.00 -1.71 0.00 0.00 66.02 61.83 7pck s SER 49 CO 0.48 -0.34 1.24 1.55 1.20 0.00 0.00 173.24 177.37 7pck h PRO 50 N 8.52 0.14 -0.69 5.44 0.13 -1.89 -3.19 132.00 140.46 7pck h PRO 50 Ca -0.30 -0.23 0.03 0.00 -0.87 0.00 0.00 66.00 64.64 7pck h PRO 50 Cb 1.14 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 7pck h PRO 50 CO 0.69 1.08 0.46 0.37 -0.23 0.00 0.00 178.00 180.37 7pck h GLN 51 N 0.05 0.81 -0.22 0.86 5.75 -1.88 0.12 115.11 120.59 7pck h GLN 51 Ca -0.07 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 7pck h GLN 51 Cb 1.81 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 30.14 7pck h GLN 51 CO 0.16 0.54 -0.04 -0.97 -2.65 0.00 0.00 178.83 175.87 7pck h ASN 52 N 0.83 -0.17 -0.59 -0.69 -0.00 -1.78 0.71 115.58 113.90 7pck h ASN 52 Ca 0.28 0.06 -0.06 0.00 -0.00 0.00 0.00 56.30 56.58 7pck h ASN 52 Cb 0.06 0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.48 7pck h ASN 52 CO -0.08 -0.06 0.15 -0.07 -0.00 0.00 0.00 177.43 177.38 7pck h LEU 53 N 0.02 0.89 -0.08 0.34 3.38 -0.94 -1.22 115.31 117.70 7pck h LEU 53 Ca 0.11 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.86 7pck h LEU 53 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 7pck h LEU 53 CO -0.21 0.88 0.01 0.58 0.09 0.00 0.00 178.44 179.80 7pck h VAL 54 N 0.85 0.97 0.00 1.22 2.07 -0.23 -1.04 116.25 120.09 7pck h VAL 54 Ca 0.19 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.69 7pck h VAL 54 Cb 0.34 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 7pck h VAL 54 CO 0.00 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.07 7pck n ASP 55 N -5.09 0.80 0.00 0.57 8.00 0.18 -4.25 116.55 116.76 7pck n ASP 55 Ca -0.05 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.05 7pck n ASP 55 Cb 0.05 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 7pck n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 7pck s VAL 57 N -1.97 3.51 0.55 0.00 1.01 -0.41 -4.78 120.40 118.31 7pck s VAL 57 Ca 0.00 -0.52 0.25 0.00 0.00 0.00 0.00 61.98 61.71 7pck s VAL 57 Cb 0.00 -4.20 0.36 0.00 0.00 0.00 0.00 36.38 32.54 7pck s VAL 57 CO 0.00 -1.04 2.06 0.28 0.00 0.00 0.00 175.10 176.41 7pck h SER 58 N 10.84 0.00 1.00 3.32 0.02 -1.90 -0.48 113.55 126.35 7pck h SER 58 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 7pck h SER 58 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 7pck h SER 58 CO 1.23 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 176.30 7pck n GLU 59 N -4.16 0.23 -4.07 3.45 4.71 -1.26 -4.72 120.64 114.82 7pck n GLU 59 Ca 0.04 0.36 -0.27 0.00 -0.01 0.00 0.00 57.16 57.28 7pck n GLU 59 Cb 0.40 -1.87 -0.05 0.00 -1.01 0.00 0.00 31.44 28.91 7pck n GLU 59 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 7pck s ASN 60 N -4.41 5.57 -0.27 1.62 0.01 -0.19 -4.95 114.94 112.33 7pck s ASN 60 Ca 0.06 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.13 7pck s ASN 60 Cb 0.10 -1.47 0.34 0.00 0.41 0.00 0.00 41.25 40.63 7pck s ASN 60 CO 0.47 0.08 1.60 -0.67 -1.51 0.00 0.00 177.10 177.07 7pck n ASP 61 N -0.23 4.03 0.00 -1.22 2.03 0.32 -4.88 116.55 116.60 7pck n ASP 61 Ca -0.08 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.30 7pck n ASP 61 Cb 0.54 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 7pck n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 7pck n GLY 62 N -0.28 3.42 0.00 0.27 0.00 -1.23 0.33 105.19 107.70 7pck n GLY 62 Ca 0.33 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.44 7pck n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7pck n GLY 64 N -0.42 -1.31 0.00 0.00 0.00 0.15 -0.18 105.19 103.44 7pck n GLY 64 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.86 7pck n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7pck n GLY 65 N 1.44 1.61 0.00 -0.02 0.00 -0.21 -4.85 105.19 103.16 7pck n GLY 65 Ca 0.09 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.90 7pck n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7pck n GLY 66 N -0.69 -1.92 3.71 -0.02 0.00 0.86 -0.52 105.19 106.62 7pck n GLY 66 Ca 0.00 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 7pck n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 7pck s TYR 67 N -2.27 2.74 0.05 1.61 1.51 -1.26 -1.02 117.35 118.72 7pck s TYR 67 Ca 0.00 -0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 55.60 7pck s TYR 67 Cb 0.00 -1.47 -0.22 0.00 -0.11 0.00 0.00 41.96 40.16 7pck s TYR 67 CO 0.00 0.45 1.17 0.52 -1.11 0.00 0.00 175.55 176.58 7pck h MET 68 N 1.65 0.61 -0.58 -0.62 2.86 -1.94 -3.28 114.93 113.63 7pck h MET 68 Ca -0.44 -0.62 0.10 0.00 -2.06 0.00 0.00 59.70 56.68 7pck h MET 68 Cb 1.25 0.17 -0.11 0.00 0.06 0.00 0.00 31.60 32.97 7pck h MET 68 CO 0.62 1.23 -0.36 1.15 1.06 0.00 0.00 176.91 180.61 7pck h THR 69 N 0.23 0.15 -0.77 2.22 2.02 -1.97 0.32 112.91 115.11 7pck h THR 69 Ca -0.10 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.18 7pck h THR 69 Cb 1.50 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 7pck h THR 69 CO 0.17 0.00 0.50 0.78 0.37 0.00 0.00 175.52 177.34 7pck h ASN 70 N -0.18 0.60 -0.34 4.18 2.35 -2.00 0.91 115.58 121.10 7pck h ASN 70 Ca 0.22 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 7pck h ASN 70 Cb 0.55 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 7pck h ASN 70 CO -0.68 0.35 0.10 0.00 -1.65 0.00 0.00 177.43 175.56 7pck h ALA 71 N 1.62 0.45 0.64 -0.83 0.00 -0.52 -0.61 119.26 120.01 7pck h ALA 71 Ca 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 7pck h ALA 71 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 7pck h ALA 71 CO -0.13 0.10 -0.33 0.74 0.00 0.00 0.00 179.25 179.62 7pck h PHE 72 N 0.40 -0.87 -0.78 0.00 0.04 0.73 -2.43 116.94 114.02 7pck h PHE 72 Ca 0.11 -0.02 0.17 0.00 2.80 0.00 0.00 57.97 61.03 7pck h PHE 72 Cb 0.27 0.30 -0.11 0.00 2.20 0.00 0.00 35.95 38.60 7pck h PHE 72 CO 0.01 -0.53 0.27 1.96 -0.60 0.00 0.00 178.31 179.43 7pck h GLN 73 N -0.90 0.36 0.53 1.51 4.20 -0.83 -1.28 115.11 118.70 7pck h GLN 73 Ca -0.09 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 7pck h GLN 73 Cb 0.70 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 7pck h GLN 73 CO 0.13 0.24 -0.49 -0.92 -0.67 0.00 0.00 178.83 177.11 7pck h TYR 74 N 0.37 -1.35 -0.97 2.96 3.20 -0.91 0.27 116.97 120.54 7pck h TYR 74 Ca 0.45 0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.57 7pck h TYR 74 Cb 0.75 0.52 -0.13 0.00 1.54 0.00 0.00 36.73 39.42 7pck h TYR 74 CO -0.20 -0.67 0.54 0.28 -1.64 0.00 0.00 178.16 176.47 7pck h VAL 75 N -1.01 0.50 0.76 1.81 2.07 -0.78 0.84 116.25 120.45 7pck h VAL 75 Ca -0.06 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 7pck h VAL 75 Cb 0.87 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 7pck h VAL 75 CO -0.04 0.09 -0.36 -0.61 0.02 0.00 0.00 177.57 176.67 7pck h GLN 76 N 0.51 -0.98 0.00 1.57 4.15 -0.81 0.17 115.11 119.72 7pck h GLN 76 Ca 0.63 0.07 -0.00 0.00 0.77 0.00 0.00 58.65 60.11 7pck h GLN 76 Cb 1.21 0.22 -0.00 0.00 0.21 0.00 0.00 27.48 29.12 7pck h GLN 76 CO -0.50 -0.65 -0.01 0.87 -1.93 0.00 0.00 178.83 176.60 7pck h LYS 77 N -1.23 0.00 0.00 1.69 1.57 0.28 0.27 116.57 119.15 7pck h LYS 77 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 7pck h LYS 77 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 7pck h LYS 77 CO 0.17 0.01 -0.20 -0.97 -0.57 0.00 0.00 179.45 177.89 7pck h ASN 78 N 0.00 0.00 -5.64 0.86 -1.24 0.74 -3.47 115.58 106.83 7pck h ASN 78 Ca -0.00 -0.06 -0.36 0.00 0.71 0.00 0.00 56.30 56.59 7pck h ASN 78 Cb 0.03 0.00 0.15 0.00 0.73 0.00 0.00 38.32 39.23 7pck h ASN 78 CO 0.00 0.03 -0.71 -2.11 -1.29 0.00 0.00 177.43 173.36 7pck n ARG 79 N -2.29 -7.13 0.00 6.67 1.85 0.95 -4.93 116.66 111.78 7pck n ARG 79 Ca 0.05 0.82 0.00 0.00 -1.00 0.00 0.00 57.85 57.71 7pck n ARG 79 Cb 0.44 -5.79 0.00 0.00 -1.05 0.00 0.00 32.46 26.06 7pck n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 7pck n GLY 80 N -1.56 3.51 3.07 2.89 0.00 0.36 -4.94 105.19 108.52 7pck n GLY 80 Ca -0.13 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 7pck n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 7pck s ILE 81 N -2.00 -0.01 1.04 -0.61 2.07 -0.57 -4.60 121.20 116.52 7pck s ILE 81 Ca 0.00 0.05 -0.14 0.00 -1.41 0.00 0.00 60.65 59.14 7pck s ILE 81 Cb 0.00 -0.31 0.21 0.00 0.13 0.00 0.00 42.46 42.49 7pck s ILE 81 CO 0.00 0.02 1.11 -1.81 -1.91 0.00 0.00 174.94 172.35 7pck s ASP 82 N 0.43 2.29 0.25 4.50 1.11 -1.26 -0.92 116.67 123.08 7pck s ASP 82 Ca -0.03 0.97 0.05 0.00 0.18 0.00 0.00 52.55 53.72 7pck s ASP 82 Cb -0.04 -1.50 -0.03 0.00 1.07 0.00 0.00 42.92 42.42 7pck s ASP 82 CO -0.02 -3.31 0.38 -0.94 1.18 0.00 0.00 175.17 172.46 7pck s SER 83 N -3.69 6.31 0.26 0.27 1.04 -1.03 -1.41 113.70 115.44 7pck s SER 83 Ca 0.67 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 57.18 7pck s SER 83 Cb -0.15 -1.87 0.52 0.00 0.10 0.00 0.00 66.02 64.62 7pck s SER 83 CO 0.56 -0.10 1.74 -0.08 0.98 0.00 0.00 173.24 176.35 7pck h GLU 84 N 1.13 0.51 -0.41 4.02 4.57 -0.60 0.11 114.58 123.91 7pck h GLU 84 Ca -0.52 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.58 7pck h GLU 84 Cb 1.23 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 7pck h GLU 84 CO 0.61 0.34 0.05 -0.44 -1.18 0.00 0.00 179.01 178.39 7pck h ASP 85 N 0.53 0.58 0.87 1.04 5.19 -1.91 0.53 116.42 123.25 7pck h ASP 85 Ca 0.45 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 7pck h ASP 85 Cb 0.68 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.04 7pck h ASP 85 CO -0.39 0.62 -0.16 0.00 -3.12 0.00 0.00 179.24 176.18 7pck n ALA 86 N -2.47 2.70 -2.74 3.45 0.00 -0.10 -4.42 120.51 116.92 7pck n ALA 86 Ca 0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 7pck n ALA 86 Cb 0.23 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.37 7pck n ALA 86 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 7pck n TYR 87 N -1.55 -3.08 -1.66 0.00 4.19 -0.42 -4.87 117.16 109.77 7pck n TYR 87 Ca 0.06 -1.62 -0.45 0.00 3.31 0.00 0.00 57.90 59.20 7pck n TYR 87 Cb 0.35 1.52 -0.02 0.00 0.49 0.00 0.00 39.34 41.67 7pck n TYR 87 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 7pck n PRO 88 N 1.69 1.93 -2.12 2.98 -0.02 0.13 -4.48 135.00 135.09 7pck n PRO 88 Ca 0.09 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 7pck n PRO 88 Cb 0.64 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 7pck n PRO 88 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 7pck s TYR 89 N -0.39 2.19 -0.51 6.00 5.04 -1.26 -4.84 117.35 123.58 7pck s TYR 89 Ca 0.65 0.48 0.22 0.00 -2.44 0.00 0.00 57.07 55.97 7pck s TYR 89 Cb -0.65 -3.86 -0.21 0.00 0.35 0.00 0.00 41.96 37.59 7pck s TYR 89 CO 0.54 -3.11 0.76 1.55 -1.34 0.00 0.00 175.55 173.94 7pck n VAL 90 N 5.79 0.05 0.00 3.14 3.14 -1.26 -4.99 118.33 124.19 7pck n VAL 90 Ca 0.17 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 7pck n VAL 90 Cb 0.44 0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.62 7pck n VAL 90 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 7pck n GLY 91 N 1.37 2.87 3.65 7.55 0.00 -1.26 -5.00 105.19 114.36 7pck n GLY 91 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 7pck n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 7pck s GLN 92 N -0.27 2.33 0.25 1.61 0.00 -1.26 -4.66 119.66 117.66 7pck s GLN 92 Ca 0.00 -1.22 -0.30 0.00 -0.00 0.00 0.00 55.36 53.85 7pck s GLN 92 Cb 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 33.01 30.64 7pck s GLN 92 CO 0.00 0.42 1.08 -1.21 0.00 0.00 0.00 175.29 175.58 7pck s GLU 93 N -3.16 4.66 0.27 9.60 2.02 -1.26 -4.96 118.70 125.88 7pck s GLU 93 Ca 0.28 1.74 -0.01 0.00 0.02 0.00 0.00 54.97 57.00 7pck s GLU 93 Cb -0.08 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 7pck s GLU 93 CO 0.19 0.22 0.30 -1.21 0.02 0.00 0.00 175.26 174.78 7pck s GLU 94 N -1.15 1.55 0.21 1.61 2.02 -1.26 -5.10 118.70 116.57 7pck s GLU 94 Ca 0.45 -1.69 -0.30 0.00 0.02 0.00 0.00 54.97 53.45 7pck s GLU 94 Cb -0.30 0.35 -0.08 0.00 0.10 0.00 0.00 34.13 34.19 7pck s GLU 94 CO 0.38 -0.58 1.18 -1.54 0.02 0.00 0.00 175.26 174.73 7pck s SER 95 N -3.21 7.11 0.19 -0.19 1.04 -1.26 -4.62 113.70 112.75 7pck s SER 95 Ca 0.35 2.26 -0.33 0.00 0.48 0.00 0.00 55.95 58.72 7pck s SER 95 Cb 0.03 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.39 7pck s SER 95 CO 0.17 -0.34 1.27 0.00 0.98 0.00 0.00 173.24 175.33 7pck n MET 97 N 1.96 1.18 -1.68 0.00 2.00 -1.26 -5.04 117.12 114.28 7pck n MET 97 Ca 0.14 -2.91 -0.45 0.00 0.00 0.00 0.00 57.70 54.48 7pck n MET 97 Cb 0.27 -1.00 -0.04 0.00 0.00 0.00 0.00 33.22 32.45 7pck n MET 97 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 7pck n TYR 98 N -0.23 2.42 -4.27 2.03 9.36 -1.26 -4.95 117.16 120.27 7pck n TYR 98 Ca 0.13 -0.05 -0.34 0.00 3.32 0.00 0.00 57.90 60.96 7pck n TYR 98 Cb 0.95 -2.68 -0.14 0.00 -0.63 0.00 0.00 39.34 36.84 7pck n TYR 98 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 7pck s ASN 99 N 3.17 4.14 0.24 2.98 3.84 -1.26 -5.01 114.94 123.04 7pck s ASN 99 Ca 0.87 -0.37 -0.06 0.00 0.21 0.00 0.00 52.86 53.51 7pck s ASN 99 Cb -0.60 -1.68 0.33 0.00 -0.55 0.00 0.00 41.25 38.76 7pck s ASN 99 CO 0.44 0.06 1.84 -0.65 -2.79 0.00 0.00 177.10 176.00 7pck h PRO 100 N 7.48 0.88 -0.70 0.43 0.11 -2.00 -2.74 132.00 135.47 7pck h PRO 100 Ca -0.35 -0.05 0.15 0.00 0.11 0.00 0.00 66.00 65.86 7pck h PRO 100 Cb 1.18 -0.20 -0.12 0.00 0.11 0.00 0.00 31.00 31.97 7pck h PRO 100 CO 0.59 0.58 0.02 1.15 -0.21 0.00 0.00 178.00 180.13 7pck h THR 101 N 0.91 0.42 -0.14 -1.15 2.02 -2.02 0.14 112.91 113.09 7pck h THR 101 Ca 0.37 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.50 7pck h THR 101 Cb 0.20 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 7pck h THR 101 CO -0.19 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.34 7pck n GLY 102 N -1.39 1.89 3.76 2.16 0.00 -1.03 -4.91 105.19 105.66 7pck n GLY 102 Ca 0.12 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 7pck n GLY 102 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 7pck s LYS 103 N -1.42 3.57 0.00 1.61 2.20 0.04 -2.48 119.74 123.26 7pck s LYS 103 Ca 0.13 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 7pck s LYS 103 Cb 0.10 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 7pck s LYS 103 CO 0.04 -0.85 0.00 0.00 -0.36 0.00 0.00 175.35 174.18 7pck n ALA 104 N -0.44 0.21 -3.49 3.13 0.00 -0.10 -4.83 120.51 115.00 7pck n ALA 104 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 7pck n ALA 104 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 7pck n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 7pck s ALA 105 N -0.11 -1.76 0.30 0.00 0.00 -1.21 -5.02 121.76 113.96 7pck s ALA 105 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.83 7pck s ALA 105 Cb 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 7pck s ALA 105 CO 0.00 -0.72 0.13 0.15 0.00 0.00 0.00 175.76 175.32 7pck s LYS 106 N -3.30 1.56 -0.03 0.00 1.02 -1.26 -1.50 119.74 116.22 7pck s LYS 106 Ca 0.04 -1.88 -0.03 0.00 0.02 0.00 0.00 55.97 54.12 7pck s LYS 106 Cb -0.01 -0.22 0.01 0.00 -0.52 0.00 0.00 37.83 37.09 7pck s LYS 106 CO -0.10 -0.39 0.09 0.00 -0.92 0.00 0.00 175.35 174.03 7pck n ARG 108 N 3.04 3.53 0.00 0.00 1.74 0.14 -4.15 116.66 120.96 7pck n ARG 108 Ca -0.12 -4.11 0.00 0.00 -0.77 0.00 0.00 57.85 52.85 7pck n ARG 108 Cb 0.59 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 7pck n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 7pck n GLY 109 N -0.73 0.49 3.32 -0.13 0.00 -1.14 -4.77 105.19 102.23 7pck n GLY 109 Ca 0.44 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 7pck n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 7pck s TYR 110 N -0.49 -0.05 0.01 1.61 -0.85 -1.26 -0.97 117.35 115.34 7pck s TYR 110 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 57.07 56.27 7pck s TYR 110 Cb 0.00 0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 7pck s TYR 110 CO 0.00 -0.69 -0.09 1.03 -1.52 0.00 0.00 175.55 174.28 7pck s ARG 111 N -3.84 0.69 -0.10 -3.49 1.81 -0.54 -4.83 118.95 108.66 7pck s ARG 111 Ca 0.06 -0.42 -0.01 0.00 -1.72 0.00 0.00 55.73 53.64 7pck s ARG 111 Cb 0.02 -0.65 -0.03 0.00 -0.45 0.00 0.00 34.95 33.84 7pck s ARG 111 CO -0.09 0.17 -0.05 -1.21 -0.68 0.00 0.00 175.30 173.43 7pck s GLU 112 N -0.49 3.09 0.16 3.54 2.02 -0.79 -1.81 118.70 124.43 7pck s GLU 112 Ca 0.01 -0.53 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 7pck s GLU 112 Cb -0.05 -2.71 -0.07 0.00 0.10 0.00 0.00 34.13 31.40 7pck s GLU 112 CO -0.00 0.52 0.91 0.42 0.02 0.00 0.00 175.26 177.13 7pck s ILE 113 N -0.40 4.33 0.04 -1.63 1.01 -0.73 -1.23 121.20 122.60 7pck s ILE 113 Ca 0.06 1.99 -0.38 0.00 0.00 0.00 0.00 60.65 62.32 7pck s ILE 113 Cb -0.12 -4.28 -0.19 0.00 0.01 0.00 0.00 42.46 37.88 7pck s ILE 113 CO 0.02 0.42 1.17 -2.65 0.00 0.00 0.00 174.94 173.90 7pck n PRO 114 N 2.13 0.50 -1.67 2.79 -0.02 -1.26 -4.59 135.00 132.87 7pck n PRO 114 Ca -0.01 0.18 -0.46 0.00 -2.02 0.00 0.00 63.50 61.19 7pck n PRO 114 Cb 0.48 -1.73 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 7pck n PRO 114 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 7pck n GLU 115 N 1.91 2.19 -1.58 -0.52 2.13 -1.26 -2.20 120.64 121.31 7pck n GLU 115 Ca 0.19 0.79 -0.17 0.00 0.66 0.00 0.00 57.16 58.63 7pck n GLU 115 Cb 0.13 -2.58 -0.07 0.00 0.27 0.00 0.00 31.44 29.20 7pck n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 7pck n GLY 116 N 3.61 1.52 3.20 8.31 0.00 0.28 -4.95 105.19 117.15 7pck n GLY 116 Ca 0.18 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 7pck n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 7pck s ASN 117 N -2.76 5.76 0.28 1.61 3.84 -0.93 -4.92 114.94 117.81 7pck s ASN 117 Ca 0.00 -2.33 0.01 0.00 0.21 0.00 0.00 52.86 50.75 7pck s ASN 117 Cb 0.00 -2.00 0.40 0.00 -0.55 0.00 0.00 41.25 39.10 7pck s ASN 117 CO 0.00 -0.58 1.75 -0.33 -2.79 0.00 0.00 177.10 175.16 7pck h GLU 118 N 7.91 0.61 0.02 0.43 5.08 -1.89 -1.02 114.58 125.73 7pck h GLU 118 Ca -0.09 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 7pck h GLU 118 Cb 1.03 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 7pck h GLU 118 CO 0.79 0.72 -0.02 0.87 -1.00 0.00 0.00 179.01 180.37 7pck h LYS 119 N 0.56 -0.05 -0.86 2.33 1.57 -1.99 0.22 116.57 118.35 7pck h LYS 119 Ca 0.10 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 7pck h LYS 119 Cb 0.55 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 7pck h LYS 119 CO 0.03 -0.03 0.56 0.00 -0.57 0.00 0.00 179.45 179.44 7pck h ALA 120 N 0.93 1.12 -0.59 3.86 0.00 -1.91 -1.22 119.26 121.45 7pck h ALA 120 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 7pck h ALA 120 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 7pck h ALA 120 CO -0.01 0.43 0.24 1.25 0.00 0.00 0.00 179.25 181.16 7pck h LEU 121 N 1.11 0.77 -0.02 0.00 5.85 -0.45 0.01 115.31 122.59 7pck h LEU 121 Ca 0.34 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 7pck h LEU 121 Cb -0.04 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 7pck h LEU 121 CO -0.10 0.69 0.01 0.50 -0.34 0.00 0.00 178.44 179.19 7pck h LYS 122 N 0.84 0.03 -0.57 1.25 3.64 0.59 -0.55 116.57 121.80 7pck h LYS 122 Ca 0.20 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 7pck h LYS 122 Cb 0.15 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 7pck h LYS 122 CO -0.02 0.20 0.36 0.00 -2.27 0.00 0.00 179.45 177.72 7pck h ARG 123 N -0.15 0.69 -0.20 1.90 3.08 -1.15 0.06 114.38 118.61 7pck h ARG 123 Ca 0.01 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.06 7pck h ARG 123 Cb 0.18 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 7pck h ARG 123 CO -0.00 0.46 -0.12 0.00 -1.07 0.00 0.00 179.97 179.24 7pck h ALA 124 N 1.24 0.04 -0.69 0.04 0.00 -0.66 0.35 119.26 119.58 7pck h ALA 124 Ca 0.22 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 7pck h ALA 124 Cb -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 7pck h ALA 124 CO -0.08 -0.55 0.26 0.28 0.00 0.00 0.00 179.25 179.16 7pck h VAL 125 N -0.11 1.24 -0.39 0.00 2.07 -0.68 0.23 116.25 118.61 7pck h VAL 125 Ca 0.11 -0.78 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 7pck h VAL 125 Cb 0.28 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 7pck h VAL 125 CO -0.27 0.31 -0.22 0.00 0.02 0.00 0.00 177.57 177.41 7pck h ALA 126 N 1.27 0.55 0.07 1.67 0.00 0.16 -2.63 119.26 120.36 7pck h ALA 126 Ca 0.23 -0.38 -0.37 0.00 0.00 0.00 0.00 54.91 54.39 7pck h ALA 126 Cb 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 7pck h ALA 126 CO -0.02 0.53 -2.15 2.89 0.00 0.00 0.00 179.25 180.50 7pck n ARG 127 N -4.22 0.70 0.03 0.00 1.85 0.11 -4.64 116.66 110.50 7pck n ARG 127 Ca -0.02 0.24 -0.22 0.00 -1.00 0.00 0.00 57.85 56.85 7pck n ARG 127 Cb 0.45 -1.64 -0.14 0.00 -1.05 0.00 0.00 32.46 30.08 7pck n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 7pck h VAL 128 N -0.05 0.80 0.00 8.89 2.07 -0.71 -3.51 116.25 123.73 7pck h VAL 128 Ca -0.49 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 64.63 7pck h VAL 128 Cb 1.93 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 7pck h VAL 128 CO -0.01 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.04 7pck n GLY 129 N 1.90 0.53 3.67 2.17 0.00 -0.99 -4.92 105.19 107.55 7pck n GLY 129 Ca -0.28 -2.15 -0.44 0.00 0.00 0.00 0.00 46.02 43.14 7pck n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 7pck n PRO 130 N 0.00 1.94 -4.89 1.61 -0.02 -1.26 -4.07 135.00 128.30 7pck n PRO 130 Ca 0.00 0.68 -0.27 0.00 -2.02 0.00 0.00 63.50 61.89 7pck n PRO 130 Cb 0.00 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.08 7pck n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 7pck s VAL 131 N -0.76 1.72 0.12 -1.45 1.01 -0.71 -4.77 120.40 115.56 7pck s VAL 131 Ca 0.60 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 7pck s VAL 131 Cb -0.62 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 7pck s VAL 131 CO 0.58 0.37 0.97 -0.44 0.00 0.00 0.00 175.10 176.58 7pck s SER 132 N -0.81 7.48 0.05 3.32 0.01 0.43 -1.11 113.70 123.07 7pck s SER 132 Ca 0.08 1.81 0.00 0.00 1.31 0.00 0.00 55.95 59.16 7pck s SER 132 Cb -0.09 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 7pck s SER 132 CO 0.00 -0.08 -0.04 0.68 0.41 0.00 0.00 173.24 174.22 7pck s VAL 133 N -0.02 0.30 -0.03 3.43 -7.23 -0.82 -1.05 120.40 114.98 7pck s VAL 133 Ca 0.47 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.22 7pck s VAL 133 Cb -0.24 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 7pck s VAL 133 CO 0.30 -0.76 -0.20 0.00 -0.31 0.00 0.00 175.10 174.13 7pck s ALA 134 N -2.85 2.43 0.25 1.32 0.00 -1.26 -1.10 121.76 120.56 7pck s ALA 134 Ca -0.01 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.92 7pck s ALA 134 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 7pck s ALA 134 CO -0.05 0.54 0.17 0.96 0.00 0.00 0.00 175.76 177.38 7pck s ILE 135 N -0.68 0.06 -0.57 0.00 -4.36 -0.19 -4.00 121.20 111.45 7pck s ILE 135 Ca 0.11 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.32 7pck s ILE 135 Cb -0.10 -2.51 0.12 0.00 1.25 0.00 0.00 42.46 41.22 7pck s ILE 135 CO -0.00 0.00 0.61 -0.62 0.24 0.00 0.00 174.94 175.17 7pck s ASP 136 N -3.25 6.19 -0.28 4.36 2.15 -0.90 -1.18 116.67 123.77 7pck s ASP 136 Ca 0.39 -1.62 0.12 0.00 0.43 0.00 0.00 52.55 51.87 7pck s ASP 136 Cb 0.06 -2.26 0.79 0.00 -0.30 0.00 0.00 42.92 41.20 7pck s ASP 136 CO 0.17 -0.99 1.78 0.00 -0.17 0.00 0.00 175.17 175.96 7pck n ALA 137 N 5.81 4.25 1.88 3.66 0.00 -1.26 -4.56 120.51 130.28 7pck n ALA 137 Ca -0.11 -2.11 0.13 0.00 0.00 0.00 0.00 53.44 51.35 7pck n ALA 137 Cb 0.41 -1.20 0.79 0.00 0.00 0.00 0.00 19.45 19.45 7pck n ALA 137 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 7pck n SER 138 N 0.25 0.00 -4.90 0.00 3.41 -1.26 -4.72 113.62 106.40 7pck n SER 138 Ca 0.34 -1.05 -0.32 0.00 -0.26 0.00 0.00 58.87 57.59 7pck n SER 138 Cb 1.30 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 65.20 7pck n SER 138 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 7pck s LEU 139 N -1.88 4.30 0.34 1.04 1.43 -1.26 -4.80 118.68 117.85 7pck s LEU 139 Ca 0.40 0.52 0.08 0.00 -1.03 0.00 0.00 54.13 54.10 7pck s LEU 139 Cb 0.18 -3.15 0.61 0.00 0.03 0.00 0.00 46.19 43.86 7pck s LEU 139 CO 0.31 0.10 1.80 0.74 0.23 0.00 0.00 176.35 179.53 7pck h THR 140 N 2.19 1.25 -0.87 5.49 2.02 -1.98 -1.79 112.91 119.22 7pck h THR 140 Ca -0.46 -1.19 0.02 0.00 0.77 0.00 0.00 66.41 65.55 7pck h THR 140 Cb 1.17 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 7pck h THR 140 CO 0.72 0.36 0.58 0.77 0.37 0.00 0.00 175.52 178.32 7pck h SER 141 N 0.20 0.99 -0.10 4.18 4.64 -1.96 -1.67 113.55 119.82 7pck h SER 141 Ca 0.03 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 7pck h SER 141 Cb 0.61 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 7pck h SER 141 CO 0.04 0.71 -0.42 0.15 -0.87 0.00 0.00 176.83 176.44 7pck h PHE 142 N 1.16 0.62 -0.49 4.77 3.04 -1.81 -2.21 116.94 122.02 7pck h PHE 142 Ca 0.33 -0.27 0.14 0.00 3.98 0.00 0.00 57.97 62.15 7pck h PHE 142 Cb -0.10 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.29 7pck h PHE 142 CO -0.00 1.02 0.42 0.37 -2.02 0.00 0.00 178.31 178.10 7pck h GLN 143 N 0.04 0.00 0.00 1.11 4.15 -0.61 -2.46 115.11 117.34 7pck h GLN 143 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 7pck h GLN 143 Cb 1.06 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 7pck h GLN 143 CO 0.09 0.00 -0.11 1.19 -1.93 0.00 0.00 178.83 178.06 7pck n PHE 144 N -4.06 0.00 -1.66 3.99 3.72 -0.70 -4.91 117.46 113.83 7pck n PHE 144 Ca 0.09 -0.84 -0.44 0.00 -0.05 0.00 0.00 57.45 56.20 7pck n PHE 144 Cb 0.62 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 39.01 7pck n PHE 144 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 7pck n TYR 145 N -1.16 2.02 -0.00 1.38 4.19 -0.83 -0.66 117.16 122.09 7pck n TYR 145 Ca 0.13 0.52 -0.01 0.00 3.31 0.00 0.00 57.90 61.86 7pck n TYR 145 Cb 0.66 -2.41 -0.00 0.00 0.49 0.00 0.00 39.34 38.08 7pck n TYR 145 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 7pck n SER 146 N 1.60 2.39 -3.56 2.98 2.88 -0.43 -3.19 113.62 116.29 7pck n SER 146 Ca 0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.55 7pck n SER 146 Cb 0.32 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.72 7pck n SER 146 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 7pck s LYS 147 N -2.02 0.60 0.00 -1.46 -2.85 -1.19 -3.53 119.74 109.29 7pck s LYS 147 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 7pck s LYS 147 Cb 0.00 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 7pck s LYS 147 CO 0.02 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.66 7pck n GLY 148 N 0.39 -1.84 3.57 0.59 0.00 -1.26 -1.97 105.19 104.67 7pck n GLY 148 Ca -0.08 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 7pck n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7pck s VAL 149 N -0.79 4.83 0.10 1.61 1.01 -0.70 -4.12 120.40 122.34 7pck s VAL 149 Ca 0.00 0.66 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 7pck s VAL 149 Cb 0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 7pck s VAL 149 CO 0.00 -0.37 1.27 -0.47 0.00 0.00 0.00 175.10 175.52 7pck s TYR 150 N 2.85 3.36 -0.30 5.22 6.14 0.60 -3.95 117.35 131.27 7pck s TYR 150 Ca 0.27 1.20 -0.09 0.00 0.64 0.00 0.00 57.07 59.08 7pck s TYR 150 Cb -0.14 -3.52 0.14 0.00 0.42 0.00 0.00 41.96 38.86 7pck s TYR 150 CO 0.16 -1.66 0.68 -0.47 0.64 0.00 0.00 175.55 174.90 7pck s TYR 151 N 0.86 -1.31 -0.07 4.97 5.04 -1.26 -1.07 117.35 124.52 7pck s TYR 151 Ca 0.60 2.12 -0.00 0.00 -2.44 0.00 0.00 57.07 57.35 7pck s TYR 151 Cb -0.33 0.73 0.03 0.00 0.35 0.00 0.00 41.96 42.74 7pck s TYR 151 CO 0.31 -0.66 -0.02 0.34 -1.34 0.00 0.00 175.55 174.18 7pck s ASP 152 N 2.85 1.41 0.45 4.32 -1.08 -1.26 -4.85 116.67 118.51 7pck s ASP 152 Ca -0.02 -0.12 0.31 0.00 -0.52 0.00 0.00 52.55 52.20 7pck s ASP 152 Cb -0.12 -0.48 1.49 0.00 -1.46 0.00 0.00 42.92 42.36 7pck s ASP 152 CO -0.19 -0.14 1.93 1.05 0.52 0.00 0.00 175.17 178.34 7pck h GLU 153 N 7.91 0.00 -0.00 4.34 4.11 -2.02 -1.86 114.58 127.05 7pck h GLU 153 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 7pck h GLU 153 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 7pck h GLU 153 CO 0.35 0.00 -0.08 0.43 0.07 0.00 0.00 179.01 179.78 7pck n SER 154 N -2.66 0.46 -4.63 3.06 7.64 -1.26 -4.82 113.62 111.41 7pck n SER 154 Ca -0.00 -0.66 -0.43 0.00 1.01 0.00 0.00 58.87 58.79 7pck n SER 154 Cb 0.16 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 7pck n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 7pck s ASN 156 N 4.19 6.73 0.53 0.00 3.84 -1.26 -4.43 114.94 124.54 7pck s ASN 156 Ca 0.70 0.73 0.21 0.00 0.21 0.00 0.00 52.86 54.71 7pck s ASN 156 Cb -0.24 -2.46 1.34 0.00 -0.55 0.00 0.00 41.25 39.35 7pck s ASN 156 CO 0.29 -0.76 2.08 -1.28 -2.79 0.00 0.00 177.10 174.64 7pck h SER 157 N 8.23 0.00 -0.16 -4.21 0.87 -1.89 -1.15 113.55 115.24 7pck h SER 157 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 7pck h SER 157 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 7pck h SER 157 CO 0.95 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 177.72 7pck n ASP 158 N -4.44 2.37 -2.83 6.23 8.00 -1.26 -4.24 116.55 120.37 7pck n ASP 158 Ca 0.03 -1.80 -0.34 0.00 0.71 0.00 0.00 54.79 53.39 7pck n ASP 158 Cb 0.33 -0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.35 7pck n ASP 158 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 7pck n ASN 159 N 0.80 6.20 -4.70 -2.24 4.05 -0.43 -5.02 115.26 113.92 7pck n ASN 159 Ca 0.17 -3.77 -0.42 0.00 0.45 0.00 0.00 54.58 51.01 7pck n ASN 159 Cb 0.46 -0.81 -0.03 0.00 1.23 0.00 0.00 39.78 40.63 7pck n ASN 159 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 7pck s LEU 160 N -3.85 4.37 0.00 1.20 1.43 -1.26 -4.31 118.68 116.26 7pck s LEU 160 Ca 0.49 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 7pck s LEU 160 Cb 0.38 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 43.03 7pck s LEU 160 CO -0.28 -0.89 0.23 -0.46 0.23 0.00 0.00 176.35 175.18 7pck n ASN 161 N 5.13 0.00 -3.98 2.29 0.23 -0.32 -4.80 115.26 113.81 7pck n ASN 161 Ca 0.16 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.12 7pck n ASN 161 Cb 0.39 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.98 7pck n ASN 161 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 7pck s HIS 162 N 0.00 0.26 -0.19 -2.53 2.46 -0.51 -3.66 115.29 111.12 7pck s HIS 162 Ca 0.00 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 55.00 7pck s HIS 162 Cb 0.00 -0.19 0.02 0.00 -0.13 0.00 0.00 32.58 32.28 7pck s HIS 162 CO 0.00 -0.20 -0.17 0.00 -2.47 0.00 0.00 174.74 171.90 7pck s ALA 163 N -1.53 2.41 0.45 1.58 0.00 -1.26 -1.03 121.76 122.38 7pck s ALA 163 Ca -0.15 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.59 7pck s ALA 163 Cb -0.09 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 7pck s ALA 163 CO -0.01 -0.41 0.08 0.14 0.00 0.00 0.00 175.76 175.56 7pck s VAL 164 N 1.31 0.84 -0.16 0.00 -7.23 -0.26 -4.57 120.40 110.33 7pck s VAL 164 Ca 0.04 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 7pck s VAL 164 Cb -0.14 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.54 7pck s VAL 164 CO -0.11 0.00 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.26 7pck s LEU 165 N -3.72 2.22 -0.43 1.32 0.20 -0.90 -1.94 118.68 115.42 7pck s LEU 165 Ca 0.16 -0.59 -0.24 0.00 0.69 0.00 0.00 54.13 54.15 7pck s LEU 165 Cb 0.02 -1.49 0.02 0.00 -0.43 0.00 0.00 46.19 44.31 7pck s LEU 165 CO 0.10 0.05 0.86 0.00 -0.29 0.00 0.00 176.35 177.07 7pck s ALA 166 N 1.01 3.30 -1.64 5.97 0.00 -0.26 -0.14 121.76 130.00 7pck s ALA 166 Ca -0.02 -0.80 0.17 0.00 0.00 0.00 0.00 51.96 51.31 7pck s ALA 166 Cb -0.15 -3.54 0.43 0.00 0.00 0.00 0.00 23.12 19.86 7pck s ALA 166 CO -0.06 -1.89 1.35 1.33 0.00 0.00 0.00 175.76 176.49 7pck n VAL 167 N 6.21 0.82 -3.81 0.00 0.24 -0.04 -1.74 118.33 120.01 7pck n VAL 167 Ca 0.05 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 7pck n VAL 167 Cb 0.48 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 7pck n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 7pck n GLY 168 N 1.12 -1.15 3.65 7.63 0.00 -1.22 -1.34 105.19 113.88 7pck n GLY 168 Ca 0.17 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 7pck n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 7pck s TYR 169 N -3.00 -0.18 -2.04 1.61 -0.85 0.36 -1.02 117.35 112.23 7pck s TYR 169 Ca 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 7pck s TYR 169 Cb 0.00 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.92 7pck s TYR 169 CO 0.00 -0.60 0.00 0.41 -1.52 0.00 0.00 175.55 173.84 7pck n GLY 170 N -0.38 -0.60 3.18 5.49 0.00 -0.28 -0.99 105.19 111.61 7pck n GLY 170 Ca -0.07 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 7pck n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 7pck s ILE 171 N -3.45 1.23 -0.14 -0.61 1.01 -1.26 -0.50 121.20 117.48 7pck s ILE 171 Ca 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 60.65 59.39 7pck s ILE 171 Cb 0.00 -1.14 0.07 0.00 0.01 0.00 0.00 42.46 41.40 7pck s ILE 171 CO 0.00 -0.09 0.22 -1.58 0.00 0.00 0.00 174.94 173.49 7pck s GLN 172 N -1.51 0.13 -1.55 2.79 0.74 -0.08 -4.89 119.66 115.28 7pck s GLN 172 Ca 0.01 0.55 -0.14 0.00 0.05 0.00 0.00 55.36 55.83 7pck s GLN 172 Cb -0.09 -0.41 0.10 0.00 1.10 0.00 0.00 33.01 33.72 7pck s GLN 172 CO 0.02 -0.39 0.85 1.63 -0.55 0.00 0.00 175.29 176.85 7pck n LYS 173 N 5.34 -4.52 -0.71 1.67 5.02 -1.26 -0.47 118.16 123.23 7pck n LYS 173 Ca -0.05 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 7pck n LYS 173 Cb 0.50 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 7pck n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 7pck n GLY 174 N -1.52 0.77 3.24 0.72 0.00 -1.26 -5.03 105.19 102.12 7pck n GLY 174 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 7pck n GLY 174 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 7pck s ASN 175 N -2.62 4.57 0.53 1.61 0.01 0.38 -5.09 114.94 114.33 7pck s ASN 175 Ca 0.00 -0.82 -0.21 0.00 -0.71 0.00 0.00 52.86 51.12 7pck s ASN 175 Cb 0.00 -1.73 -0.05 0.00 0.41 0.00 0.00 41.25 39.88 7pck s ASN 175 CO 0.00 -0.15 1.23 -0.54 -1.51 0.00 0.00 177.10 176.13 7pck s LYS 176 N 1.38 3.33 0.08 -0.60 1.02 -1.26 -0.90 119.74 122.78 7pck s LYS 176 Ca 0.01 1.91 -0.26 0.00 0.02 0.00 0.00 55.97 57.65 7pck s LYS 176 Cb -0.17 -2.20 0.08 0.00 -0.52 0.00 0.00 37.83 35.02 7pck s LYS 176 CO -0.02 -0.94 0.69 -3.38 -0.92 0.00 0.00 175.35 170.78 7pck s HIS 177 N -1.50 -0.51 -0.11 3.18 -3.43 0.35 -1.53 115.29 111.72 7pck s HIS 177 Ca 0.70 0.46 -0.10 0.00 -0.80 0.00 0.00 55.06 55.33 7pck s HIS 177 Cb -0.32 0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 31.31 7pck s HIS 177 CO 0.37 -0.72 0.21 -1.58 -2.00 0.00 0.00 174.74 171.02 7pck s TRP 178 N -3.06 3.58 -0.37 0.38 0.52 0.88 -1.12 118.94 119.75 7pck s TRP 178 Ca -0.00 0.60 -0.19 0.00 0.02 0.00 0.00 56.10 56.52 7pck s TRP 178 Cb -0.01 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.22 7pck s TRP 178 CO -0.08 0.59 0.57 0.42 0.02 0.00 0.00 176.95 178.47 7pck s ILE 179 N -0.64 4.95 -0.01 2.03 1.01 -0.19 -1.17 121.20 127.19 7pck s ILE 179 Ca 0.16 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.16 7pck s ILE 179 Cb -0.13 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 7pck s ILE 179 CO 0.05 -0.32 0.04 -0.63 0.00 0.00 0.00 174.94 174.08 7pck s ILE 180 N 2.55 4.42 -0.18 2.92 -1.09 -0.27 -0.86 121.20 128.69 7pck s ILE 180 Ca 0.21 -0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 58.11 7pck s ILE 180 Cb -0.15 -2.99 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 7pck s ILE 180 CO 0.15 0.38 -0.08 -0.75 -1.23 0.00 0.00 174.94 173.40 7pck s LYS 181 N -1.59 3.38 0.47 2.79 2.20 0.80 -1.92 119.74 125.87 7pck s LYS 181 Ca 0.21 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 7pck s LYS 181 Cb -0.12 -2.85 0.03 0.00 -1.51 0.00 0.00 37.83 33.39 7pck s LYS 181 CO 0.11 -0.02 0.64 1.21 -0.36 0.00 0.00 175.35 176.94 7pck s ASN 182 N 0.98 5.48 -0.10 1.43 3.84 -1.04 -2.11 114.94 123.41 7pck s ASN 182 Ca -0.01 -0.44 0.14 0.00 0.21 0.00 0.00 52.86 52.76 7pck s ASN 182 Cb -0.15 -0.51 0.44 0.00 -0.55 0.00 0.00 41.25 40.49 7pck s ASN 182 CO -0.00 -0.94 1.36 -1.20 -2.79 0.00 0.00 177.10 173.53 7pck n SER 183 N -2.00 3.52 -2.23 -4.21 7.64 -1.26 -4.44 113.62 110.63 7pck n SER 183 Ca 0.09 -2.59 -0.25 0.00 1.01 0.00 0.00 58.87 57.13 7pck n SER 183 Cb 0.60 -0.42 0.16 0.00 -1.01 0.00 0.00 64.21 63.54 7pck n SER 183 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 7pck n TRP 184 N -0.06 3.08 -0.34 1.43 8.01 -1.22 0.05 117.44 128.39 7pck n TRP 184 Ca 0.17 -2.03 0.04 0.00 -1.31 0.00 0.00 57.50 54.38 7pck n TRP 184 Cb 0.70 -1.02 -0.02 0.00 -2.01 0.00 0.00 31.31 28.97 7pck n TRP 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 7pck n GLY 185 N -1.11 -2.29 0.04 6.99 0.00 -0.38 -4.32 105.19 104.10 7pck n GLY 185 Ca 0.60 -1.39 0.15 0.00 0.00 0.00 0.00 46.02 45.38 7pck n GLY 185 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 7pck n GLU 186 N -2.83 0.80 -0.02 1.61 0.28 -1.26 -3.30 120.64 115.92 7pck n GLU 186 Ca -0.01 -0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.02 7pck n GLU 186 Cb 0.16 -1.50 0.56 0.00 1.43 0.00 0.00 31.44 32.09 7pck n GLU 186 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 7pck n ASN 187 N -1.04 0.47 -4.41 -1.84 2.85 -1.26 -2.97 115.26 107.07 7pck n ASN 187 Ca 0.19 -1.44 -0.27 0.00 -0.11 0.00 0.00 54.58 52.95 7pck n ASN 187 Cb 0.18 -0.02 -0.12 0.00 1.24 0.00 0.00 39.78 41.06 7pck n ASN 187 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 7pck s TRP 188 N -1.95 2.27 0.00 1.20 -0.00 -1.21 -4.63 118.94 114.63 7pck s TRP 188 Ca 0.32 -0.37 0.00 0.00 -0.00 0.00 0.00 56.10 56.05 7pck s TRP 188 Cb 0.15 -1.16 0.00 0.00 -0.00 0.00 0.00 33.47 32.46 7pck s TRP 188 CO 0.25 0.44 0.00 0.41 -0.00 0.00 0.00 176.95 178.05 7pck n GLY 189 N 0.49 0.18 3.56 5.86 0.00 -1.19 -0.81 105.19 113.28 7pck n GLY 189 Ca -0.14 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 7pck n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 7pck s ASN 190 N -4.00 6.29 -1.35 1.61 3.84 0.49 -3.92 114.94 117.90 7pck s ASN 190 Ca 0.00 -1.35 -0.04 0.00 0.21 0.00 0.00 52.86 51.67 7pck s ASN 190 Cb 0.00 -2.57 0.03 0.00 -0.55 0.00 0.00 41.25 38.16 7pck s ASN 190 CO 0.00 -1.71 0.32 2.29 -2.79 0.00 0.00 177.10 175.22 7pck n LYS 191 N 8.87 -3.28 0.00 0.43 2.85 -1.25 -1.25 118.16 124.53 7pck n LYS 191 Ca 0.35 0.69 0.00 0.00 -1.05 0.00 0.00 58.31 58.29 7pck n LYS 191 Cb 0.50 -5.40 0.00 0.00 -0.65 0.00 0.00 35.03 29.48 7pck n LYS 191 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 7pck n GLY 192 N -1.14 3.16 3.89 2.58 0.00 0.01 -4.66 105.19 109.02 7pck n GLY 192 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 7pck n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 7pck s TYR 193 N -2.74 2.77 -0.12 1.61 1.51 -0.38 -2.50 117.35 117.49 7pck s TYR 193 Ca 0.00 -0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 55.52 7pck s TYR 193 Cb 0.00 -2.12 0.04 0.00 -0.11 0.00 0.00 41.96 39.77 7pck s TYR 193 CO 0.00 -0.10 0.32 -1.50 -1.11 0.00 0.00 175.55 173.17 7pck s ILE 194 N -2.42 -0.01 -0.24 2.71 2.07 -0.81 -0.38 121.20 122.13 7pck s ILE 194 Ca 0.47 0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.61 7pck s ILE 194 Cb -0.05 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 7pck s ILE 194 CO 0.28 0.01 0.32 -0.76 -1.91 0.00 0.00 174.94 172.89 7pck s LEU 195 N 0.47 4.10 -0.07 8.50 1.43 -1.26 -1.11 118.68 130.74 7pck s LEU 195 Ca -0.02 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 7pck s LEU 195 Cb -0.04 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 7pck s LEU 195 CO -0.02 -0.08 -0.08 -0.04 0.23 0.00 0.00 176.35 176.36 7pck s MET 196 N 1.54 2.72 -0.36 1.70 -1.94 -0.31 -0.29 119.30 122.35 7pck s MET 196 Ca 0.14 -0.56 -0.42 0.00 -1.71 0.00 0.00 55.69 53.14 7pck s MET 196 Cb -0.15 -2.57 -0.17 0.00 2.01 0.00 0.00 34.83 33.96 7pck s MET 196 CO 0.08 0.66 1.78 0.00 -0.01 0.00 0.00 175.02 177.53 7pck n ALA 197 N 2.22 -0.36 -2.86 3.03 0.00 -0.23 -0.08 120.51 122.23 7pck n ALA 197 Ca -0.18 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 7pck n ALA 197 Cb 0.53 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 7pck n ALA 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 7pck s ARG 198 N 3.84 3.49 -2.05 0.00 3.52 -0.59 -4.32 118.95 122.84 7pck s ARG 198 Ca 1.03 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 7pck s ARG 198 Cb -1.20 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 7pck s ARG 198 CO 0.69 0.61 0.00 0.09 -0.81 0.00 0.00 175.30 175.87 7pck n ASN 199 N 0.50 -5.25 -3.72 -2.12 3.02 -1.26 -4.61 115.26 101.83 7pck n ASN 199 Ca -0.07 0.44 -0.37 0.00 -0.03 0.00 0.00 54.58 54.55 7pck n ASN 199 Cb 0.52 -4.63 -0.02 0.00 -0.61 0.00 0.00 39.78 35.04 7pck n ASN 199 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 7pck n LYS 200 N -2.38 3.88 -3.91 3.52 4.81 -1.26 -4.80 118.16 118.02 7pck n LYS 200 Ca -0.20 -4.63 -0.30 0.00 -0.87 0.00 0.00 58.31 52.31 7pck n LYS 200 Cb 0.65 -2.41 0.03 0.00 0.02 0.00 0.00 35.03 33.32 7pck n LYS 200 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 7pck n ASN 201 N 0.93 -4.57 -3.45 3.14 0.23 -1.26 -2.86 115.26 107.42 7pck n ASN 201 Ca 0.30 -0.78 -0.21 0.00 -0.53 0.00 0.00 54.58 53.35 7pck n ASN 201 Cb 0.35 -3.88 0.06 0.00 -2.08 0.00 0.00 39.78 34.23 7pck n ASN 201 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 7pck n ASN 202 N -2.85 -5.31 -4.67 0.53 5.15 -1.26 -4.88 115.26 101.98 7pck n ASN 202 Ca 0.02 -0.81 -0.47 0.00 -0.60 0.00 0.00 54.58 52.72 7pck n ASN 202 Cb 0.53 -4.50 -0.04 0.00 -0.53 0.00 0.00 39.78 35.24 7pck n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 7pck n ALA 203 N -3.71 1.07 -1.63 5.20 0.00 -1.14 -2.01 120.51 118.30 7pck n ALA 203 Ca -0.12 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.53 7pck n ALA 203 Cb 0.62 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 7pck n ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 7pck n GLY 205 N -0.40 0.68 0.43 0.00 0.00 -0.85 -2.11 105.19 102.94 7pck n GLY 205 Ca -0.21 -0.52 0.26 0.00 0.00 0.00 0.00 46.02 45.56 7pck n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 7pck h ILE 206 N 0.00 0.43 -0.46 -0.61 6.09 -1.55 0.79 117.51 122.19 7pck h ILE 206 Ca -0.22 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 7pck h ILE 206 Cb 0.87 0.10 0.00 0.00 0.47 0.00 0.00 36.82 38.26 7pck h ILE 206 CO 0.30 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 175.44 7pck n ALA 207 N -2.50 3.54 0.04 0.18 0.00 -1.26 -4.45 120.51 116.06 7pck n ALA 207 Ca 0.28 -2.06 -0.15 0.00 0.00 0.00 0.00 53.44 51.51 7pck n ALA 207 Cb 1.02 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 7pck n ALA 207 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 7pck h ASN 208 N 3.19 0.29 -1.20 0.00 2.35 -1.11 0.81 115.58 119.92 7pck h ASN 208 Ca 0.00 -0.45 -0.44 0.00 -0.55 0.00 0.00 56.30 54.86 7pck h ASN 208 Cb 1.77 -0.09 -0.41 0.00 0.05 0.00 0.00 38.32 39.64 7pck h ASN 208 CO 0.39 1.39 -1.05 0.18 -1.65 0.00 0.00 177.43 176.69 7pck n LEU 209 N -3.37 2.47 -4.79 1.61 4.77 -1.26 -4.57 117.00 111.86 7pck n LEU 209 Ca -0.18 -4.23 -0.37 0.00 -0.03 0.00 0.00 56.01 51.20 7pck n LEU 209 Cb 1.04 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 42.22 7pck n LEU 209 CO 0.48 1.79 0.55 0.00 -1.33 0.00 0.00 177.39 178.88 7pck s ALA 210 N -3.24 3.33 0.01 -1.18 0.00 -1.26 -4.04 121.76 115.38 7pck s ALA 210 Ca 0.34 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.42 7pck s ALA 210 Cb 0.44 -3.03 0.09 0.00 0.00 0.00 0.00 23.12 20.62 7pck s ALA 210 CO -0.04 0.25 0.79 -1.54 0.00 0.00 0.00 175.76 175.22 7pck s SER 211 N -1.50 -0.47 -0.07 0.00 1.04 -0.22 -1.78 113.70 110.71 7pck s SER 211 Ca 0.44 0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.95 7pck s SER 211 Cb -0.20 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.40 7pck s SER 211 CO 0.24 -0.67 0.25 0.72 0.98 0.00 0.00 173.24 174.77 7pck s PHE 212 N -2.67 -0.23 0.51 5.02 -0.12 -0.75 -0.43 117.98 119.32 7pck s PHE 212 Ca 0.00 0.52 -0.20 0.00 -0.05 0.00 0.00 56.93 57.20 7pck s PHE 212 Cb -0.01 0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.40 7pck s PHE 212 CO -0.05 -0.20 1.12 -1.25 -0.05 0.00 0.00 175.22 174.79 7pck s PRO 213 N -0.30 3.53 -0.25 1.99 0.04 -1.26 -1.46 135.00 137.29 7pck s PRO 213 Ca -0.04 1.61 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 7pck s PRO 213 Cb -0.03 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 7pck s PRO 213 CO 0.01 -0.70 0.07 0.21 0.04 0.00 0.00 177.00 176.63 7pck s LYS 214 N -3.13 3.68 0.00 4.56 2.36 -0.15 -4.85 119.74 122.21 7pck s LYS 214 Ca 0.70 -0.47 0.00 0.00 -2.55 0.00 0.00 55.97 53.65 7pck s LYS 214 Cb -0.24 -3.33 0.00 0.00 -1.05 0.00 0.00 37.83 33.21 7pck s LYS 214 CO 0.28 -0.17 0.04 0.00 1.55 0.00 0.00 175.35 177.04