#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sum n ARG 3 N 0.00 3.07 0.00 3.52 5.12 -1.26 -4.56 116.66 122.55 1sum n ARG 3 Ca 0.00 -3.98 0.08 0.00 -1.93 0.00 0.00 57.85 52.02 1sum n ARG 3 Cb 0.00 -2.08 0.44 0.00 -1.16 0.00 0.00 32.46 29.66 1sum n ARG 3 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1sum n LEU 4 N -0.67 0.00 -0.31 0.55 4.77 -1.26 -1.90 117.00 118.18 1sum n LEU 4 Ca 0.33 0.19 0.16 0.00 -0.03 0.00 0.00 56.01 56.66 1sum n LEU 4 Cb 0.92 -0.19 0.34 0.00 -2.33 0.00 0.00 43.42 42.16 1sum n LEU 4 CO 0.30 -0.09 0.99 0.25 -1.33 0.00 0.00 177.39 177.52 1sum h LEU 5 N 0.00 0.15 -0.84 2.23 5.85 -2.00 -2.01 115.31 118.69 1sum h LEU 5 Ca 0.00 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1sum h LEU 5 Cb 0.10 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1sum h LEU 5 CO 0.00 -0.14 0.33 0.78 -0.34 0.00 0.00 178.44 179.07 1sum h ASN 6 N 0.25 1.08 -0.35 1.25 -0.26 -1.77 -0.98 115.58 114.81 1sum h ASN 6 Ca 0.60 -0.16 0.01 0.00 -0.56 0.00 0.00 56.30 56.20 1sum h ASN 6 Cb 1.26 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 38.22 1sum h ASN 6 CO -0.64 0.95 0.21 -0.08 -1.06 0.00 0.00 177.43 176.80 1sum h GLU 7 N 1.15 0.41 -0.12 0.81 4.81 -1.57 -1.87 114.58 118.21 1sum h GLU 7 Ca 0.27 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.30 1sum h GLU 7 Cb 0.19 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1sum h GLU 7 CO -0.02 0.27 -0.66 0.87 -0.73 0.00 0.00 179.01 178.73 1sum h LYS 8 N 0.42 0.47 -0.27 1.92 1.79 -1.15 -1.82 116.57 117.93 1sum h LYS 8 Ca 0.14 -0.35 -0.18 0.00 -2.18 0.00 0.00 60.65 58.08 1sum h LYS 8 Cb -0.01 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1sum h LYS 8 CO -0.06 0.97 -0.54 0.28 -1.08 0.00 0.00 179.45 179.03 1sum h VAL 9 N 0.34 1.29 -0.57 0.50 2.07 -1.15 -1.29 116.25 117.44 1sum h VAL 9 Ca -0.02 -1.74 -0.09 0.00 0.82 0.00 0.00 66.70 65.68 1sum h VAL 9 Cb 1.23 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1sum h VAL 9 CO 0.12 0.56 -0.00 -0.08 0.02 0.00 0.00 177.57 178.19 1sum h GLU 10 N 0.61 1.00 -0.62 1.57 4.57 -1.25 -1.18 114.58 119.27 1sum h GLU 10 Ca 0.02 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 57.79 1sum h GLU 10 Cb 1.13 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 1sum h GLU 10 CO 0.12 1.00 0.05 0.93 -1.18 0.00 0.00 179.01 179.92 1sum h GLU 11 N 0.88 1.07 -0.03 1.92 5.08 -1.27 -0.87 114.58 121.36 1sum h GLU 11 Ca 0.16 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1sum h GLU 11 Cb 0.55 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1sum h GLU 11 CO 0.03 1.02 -0.01 0.35 -1.00 0.00 0.00 179.01 179.39 1sum h PHE 12 N 0.97 -0.03 -0.45 4.33 3.04 -1.03 -0.80 116.94 122.97 1sum h PHE 12 Ca 0.18 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.19 1sum h PHE 12 Cb 0.50 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.99 1sum h PHE 12 CO 0.04 -0.02 0.18 0.87 -2.02 0.00 0.00 178.31 177.35 1sum h LYS 13 N -0.01 0.35 -0.03 1.11 1.57 -1.15 -1.95 116.57 116.46 1sum h LYS 13 Ca 0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1sum h LYS 13 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1sum h LYS 13 CO -0.04 0.23 -0.20 0.87 -0.57 0.00 0.00 179.45 179.74 1sum h LYS 14 N 0.36 0.04 -0.42 3.15 1.79 -0.95 -1.12 116.57 119.42 1sum h LYS 14 Ca 0.21 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.62 1sum h LYS 14 Cb 0.18 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1sum h LYS 14 CO -0.19 0.24 0.08 0.78 -1.08 0.00 0.00 179.45 179.28 1sum h GLY 15 N 0.66 0.74 1.00 3.86 0.00 -0.54 -1.28 103.07 107.52 1sum h GLY 15 Ca 0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1sum h GLY 15 CO 0.03 0.44 0.10 -2.08 0.00 0.00 0.00 176.54 175.03 1sum h VAL 16 N 0.54 1.25 -0.54 4.60 2.07 -0.95 -1.67 116.25 121.56 1sum h VAL 16 Ca 0.13 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 1sum h VAL 16 Cb 0.35 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1sum h VAL 16 CO 0.00 0.34 -0.01 -0.07 0.02 0.00 0.00 177.57 177.86 1sum h LEU 17 N 0.77 0.89 -0.66 2.57 3.38 -1.16 -0.82 115.31 120.28 1sum h LEU 17 Ca 0.16 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1sum h LEU 17 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1sum h LEU 17 CO 0.01 0.96 -0.05 0.11 0.09 0.00 0.00 178.44 179.55 1sum h LYS 18 N 0.85 0.99 -0.34 1.13 1.57 -0.97 0.35 116.57 120.14 1sum h LYS 18 Ca 0.16 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1sum h LYS 18 Cb 0.51 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1sum h LYS 18 CO 0.03 1.00 -0.04 0.00 -0.57 0.00 0.00 179.45 179.87 1sum h ALA 19 N 1.03 1.30 0.09 3.86 0.00 -1.05 -0.95 119.26 123.55 1sum h ALA 19 Ca 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sum h ALA 19 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sum h ALA 19 CO 0.04 0.47 -0.04 0.78 0.00 0.00 0.00 179.25 180.50 1sum h GLY 20 N 0.88 -0.13 1.38 0.00 0.00 -0.62 -1.80 103.07 102.78 1sum h GLY 20 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1sum h GLY 20 CO 0.02 -0.05 0.38 1.49 0.00 0.00 0.00 176.54 178.38 1sum h TRP 21 N -0.13 0.80 -0.24 5.60 6.55 -0.70 -0.15 115.95 127.68 1sum h TRP 21 Ca -0.01 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.85 1sum h TRP 21 Cb 0.10 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.12 1sum h TRP 21 CO -0.07 0.53 0.10 0.35 -1.05 0.00 0.00 178.44 178.30 1sum h PHE 22 N 0.84 0.18 0.00 0.49 3.57 -0.97 -1.75 116.94 119.30 1sum h PHE 22 Ca 0.22 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1sum h PHE 22 Cb -0.04 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1sum h PHE 22 CO 0.00 0.09 -0.36 -0.84 -2.23 0.00 0.00 178.31 174.98 1sum h ILE 23 N 0.22 0.78 -0.66 1.41 -0.00 -0.66 -0.88 117.51 117.72 1sum h ILE 23 Ca 0.10 -1.56 -0.01 0.00 -0.00 0.00 0.00 64.86 63.39 1sum h ILE 23 Cb 0.05 1.99 -0.03 0.00 -0.00 0.00 0.00 36.82 38.83 1sum h ILE 23 CO -0.09 0.35 0.38 -0.08 -0.00 0.00 0.00 178.15 178.71 1sum h GLU 24 N 0.00 0.91 -0.41 0.16 4.81 -0.78 -0.10 114.58 119.17 1sum h GLU 24 Ca -0.00 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 58.99 1sum h GLU 24 Cb 0.96 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1sum h GLU 24 CO 0.05 0.67 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.48 1sum h LYS 25 N 0.90 0.93 -0.41 1.92 1.63 -1.11 -2.65 116.57 117.79 1sum h LYS 25 Ca 0.23 -0.45 0.05 0.00 -0.85 0.00 0.00 60.65 59.64 1sum h LYS 25 Cb 0.01 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 1sum h LYS 25 CO -0.04 1.11 0.14 0.52 -3.45 0.00 0.00 179.45 177.73 1sum h MET 26 N 0.76 0.28 -0.57 1.90 2.86 -0.79 0.43 114.93 119.81 1sum h MET 26 Ca 0.08 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1sum h MET 26 Cb 0.89 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1sum h MET 26 CO 0.08 0.19 0.11 0.35 1.06 0.00 0.00 176.91 178.70 1sum h PHE 27 N 0.29 0.98 -0.43 -0.22 3.57 -1.04 0.82 116.94 120.92 1sum h PHE 27 Ca 0.19 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1sum h PHE 27 Cb 0.19 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 1sum h PHE 27 CO -0.16 0.86 0.11 -0.09 -2.23 0.00 0.00 178.31 176.80 1sum h ARG 28 N 0.83 0.24 -0.13 1.11 9.65 -1.18 -2.49 114.38 122.41 1sum h ARG 28 Ca 0.17 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.92 1sum h ARG 28 Cb 0.39 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1sum h ARG 28 CO 0.01 0.16 -0.46 -0.91 2.80 0.00 0.00 179.97 181.57 1sum h ASN 29 N 0.25 0.33 -0.37 -3.80 -0.26 -0.32 -1.19 115.58 110.23 1sum h ASN 29 Ca 0.21 -0.15 -0.11 0.00 -0.56 0.00 0.00 56.30 55.68 1sum h ASN 29 Cb 0.23 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1sum h ASN 29 CO -0.25 0.75 -0.21 0.77 -1.06 0.00 0.00 177.43 177.43 1sum h SER 30 N 0.25 0.83 0.16 5.81 4.64 -0.68 -0.83 113.55 123.74 1sum h SER 30 Ca 0.02 -0.41 -0.15 0.00 -0.47 0.00 0.00 61.79 60.77 1sum h SER 30 Cb 0.91 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1sum h SER 30 CO 0.07 1.06 -0.56 0.40 -0.87 0.00 0.00 176.83 176.93 1sum h ILE 31 N 0.60 1.34 -0.53 0.95 5.03 -1.38 -2.83 117.51 120.69 1sum h ILE 31 Ca 0.08 -1.85 -0.09 0.00 -0.12 0.00 0.00 64.86 62.88 1sum h ILE 31 Cb 0.76 1.85 -0.02 0.00 -3.03 0.00 0.00 36.82 36.38 1sum h ILE 31 CO 0.06 0.56 -0.05 0.28 -0.68 0.00 0.00 178.15 178.32 1sum h SER 32 N 0.32 0.91 -0.57 1.72 0.02 -1.09 -2.03 113.55 112.83 1sum h SER 32 Ca 0.00 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1sum h SER 32 Cb 1.08 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1sum h SER 32 CO 0.10 1.00 0.38 0.77 -1.14 0.00 0.00 176.83 177.94 1sum h SER 33 N 0.85 0.61 0.21 3.07 4.64 -1.02 -0.36 113.55 121.55 1sum h SER 33 Ca 0.15 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1sum h SER 33 Cb 0.57 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1sum h SER 33 CO 0.03 0.43 -0.10 0.25 -0.87 0.00 0.00 176.83 176.57 1sum h LEU 34 N 0.72 -0.24 -0.35 5.97 5.85 -1.23 -0.12 115.31 125.91 1sum h LEU 34 Ca 0.22 -0.23 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 1sum h LEU 34 Cb 0.01 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1sum h LEU 34 CO -0.06 0.12 -0.73 1.62 -0.34 0.00 0.00 178.44 179.05 1sum h VAL 35 N -0.62 1.35 -0.01 1.05 3.04 -1.16 -3.03 116.25 116.88 1sum h VAL 35 Ca -0.03 -2.08 0.00 0.00 -1.01 0.00 0.00 66.70 63.58 1sum h VAL 35 Cb 0.45 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1sum h VAL 35 CO 0.05 0.64 -0.41 -0.62 -1.01 0.00 0.00 177.57 176.22 1sum n GLU 36 N -3.87 0.54 -3.71 4.17 1.02 -0.16 -4.97 120.64 113.65 1sum n GLU 36 Ca -0.05 -0.34 -0.31 0.00 -0.02 0.00 0.00 57.16 56.44 1sum n GLU 36 Cb 0.71 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.67 1sum n GLU 36 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sum n ARG 37 N -0.93 -1.09 -3.69 3.49 1.74 -0.14 -4.94 116.66 111.09 1sum n ARG 37 Ca 0.09 0.52 -0.38 0.00 -0.77 0.00 0.00 57.85 57.31 1sum n ARG 37 Cb 0.35 -3.73 -0.10 0.00 -1.02 0.00 0.00 32.46 27.96 1sum n ARG 37 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sum s ASN 38 N -3.37 5.42 0.21 0.55 3.84 -0.71 -4.98 114.94 115.90 1sum s ASN 38 Ca 0.38 -1.99 -0.10 0.00 0.21 0.00 0.00 52.86 51.36 1sum s ASN 38 Cb -0.15 -1.90 0.25 0.00 -0.55 0.00 0.00 41.25 38.90 1sum s ASN 38 CO 0.88 -0.60 1.78 -0.08 -2.79 0.00 0.00 177.10 176.28 1sum h GLU 39 N 8.19 0.53 -0.36 0.43 4.81 -1.92 -2.35 114.58 123.90 1sum h GLU 39 Ca -0.16 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1sum h GLU 39 Cb 1.06 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1sum h GLU 39 CO 0.76 0.35 0.21 1.03 -0.73 0.00 0.00 179.01 180.63 1sum h SER 40 N 0.54 0.44 -0.59 1.04 0.87 -1.99 -1.46 113.55 112.40 1sum h SER 40 Ca 0.29 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1sum h SER 40 Cb 0.27 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1sum h SER 40 CO -0.23 0.38 0.25 0.25 -0.53 0.00 0.00 176.83 176.94 1sum h LEU 41 N 0.47 0.84 -0.58 2.23 5.85 -1.86 0.21 115.31 122.46 1sum h LEU 41 Ca 0.13 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1sum h LEU 41 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1sum h LEU 41 CO -0.02 0.75 -0.01 0.00 -0.34 0.00 0.00 178.44 178.82 1sum h ALA 42 N 1.37 0.79 -0.29 1.25 0.00 -1.19 -2.51 119.26 118.68 1sum h ALA 42 Ca 0.21 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1sum h ALA 42 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1sum h ALA 42 CO -0.02 0.64 -0.17 0.00 0.00 0.00 0.00 179.25 179.69 1sum h ARG 43 N 0.93 0.52 -0.75 0.00 3.08 -0.49 -2.15 114.38 115.53 1sum h ARG 43 Ca 0.16 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1sum h ARG 43 Cb 0.57 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1sum h ARG 43 CO 0.03 0.67 0.32 1.49 -1.07 0.00 0.00 179.97 181.42 1sum h GLU 44 N 0.47 1.10 -0.46 0.04 4.81 -0.79 -1.57 114.58 118.19 1sum h GLU 44 Ca 0.08 -0.18 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 1sum h GLU 44 Cb 0.57 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1sum h GLU 44 CO 0.04 0.88 -0.18 0.28 -0.73 0.00 0.00 179.01 179.30 1sum h VAL 45 N 1.09 1.27 -0.22 0.32 2.07 -1.09 0.12 116.25 119.81 1sum h VAL 45 Ca 0.26 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1sum h VAL 45 Cb 0.17 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1sum h VAL 45 CO -0.03 0.46 0.13 0.40 0.02 0.00 0.00 177.57 178.55 1sum h ILE 46 N 0.77 1.10 -0.48 4.57 2.04 -1.19 -2.24 117.51 122.09 1sum h ILE 46 Ca 0.11 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1sum h ILE 46 Cb 0.75 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 1sum h ILE 46 CO 0.06 0.10 0.22 0.00 0.00 0.00 0.00 178.15 178.53 1sum h ALA 47 N 1.03 0.60 0.00 1.87 0.00 -1.19 -3.02 119.26 118.55 1sum h ALA 47 Ca 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sum h ALA 47 Cb 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sum h ALA 47 CO -0.01 -0.14 -0.04 -0.44 0.00 0.00 0.00 179.25 178.62 1sum h ASP 48 N 0.44 0.00 -0.92 0.00 3.45 -0.40 -1.86 116.42 117.13 1sum h ASP 48 Ca 0.22 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.70 1sum h ASP 48 Cb 0.15 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.87 1sum h ASP 48 CO -0.17 0.04 0.60 -0.08 -1.57 0.00 0.00 179.24 178.06 1sum h GLU 49 N 0.00 1.17 -0.13 3.56 4.22 -1.28 -1.70 114.58 120.42 1sum h GLU 49 Ca -0.00 -0.07 -0.11 0.00 0.08 0.00 0.00 59.36 59.26 1sum h GLU 49 Cb 0.23 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1sum h GLU 49 CO 0.00 0.77 -0.40 1.49 -2.18 0.00 0.00 179.01 178.70 1sum h GLU 50 N 1.20 0.29 -0.89 1.92 4.57 -1.48 -1.20 114.58 118.99 1sum h GLU 50 Ca 0.35 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1sum h GLU 50 Cb -0.07 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 1sum h GLU 50 CO -0.10 0.65 0.59 0.28 -1.18 0.00 0.00 179.01 179.25 1sum h VAL 51 N 0.25 1.16 -0.01 0.32 2.07 -1.45 -2.13 116.25 116.45 1sum h VAL 51 Ca 0.02 -0.39 -0.21 0.00 0.82 0.00 0.00 66.70 66.95 1sum h VAL 51 Cb 0.81 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1sum h VAL 51 CO 0.06 0.21 -0.88 0.58 0.02 0.00 0.00 177.57 177.56 1sum h VAL 52 N 1.13 1.43 -0.62 2.57 2.07 -0.65 -1.49 116.25 120.68 1sum h VAL 52 Ca 0.35 -2.45 0.08 0.00 0.82 0.00 0.00 66.70 65.51 1sum h VAL 52 Cb 0.01 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 1sum h VAL 52 CO -0.10 0.72 0.28 0.44 0.02 0.00 0.00 177.57 178.93 1sum h ASP 53 N 0.20 0.34 -0.31 0.57 3.32 -1.00 -1.29 116.42 118.25 1sum h ASP 53 Ca -0.06 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1sum h ASP 53 Cb 1.50 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.04 1sum h ASP 53 CO 0.15 0.21 0.20 -0.61 -1.72 0.00 0.00 179.24 177.46 1sum h GLN 54 N 0.50 0.39 -0.68 3.56 4.15 -1.16 -2.35 115.11 119.52 1sum h GLN 54 Ca 0.30 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.77 1sum h GLN 54 Cb 0.31 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.85 1sum h GLN 54 CO -0.25 0.26 0.35 0.52 -1.93 0.00 0.00 178.83 177.78 1sum h MET 55 N 0.40 0.62 -0.66 1.69 2.86 -0.86 0.59 114.93 119.57 1sum h MET 55 Ca 0.12 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1sum h MET 55 Cb -0.02 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 1sum h MET 55 CO -0.04 0.41 0.39 1.49 1.06 0.00 0.00 176.91 180.22 1sum h GLU 56 N 0.64 0.72 -0.57 1.72 4.81 -1.07 -0.08 114.58 120.75 1sum h GLU 56 Ca 0.32 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1sum h GLU 56 Cb 0.26 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1sum h GLU 56 CO -0.22 0.48 0.24 0.28 -0.73 0.00 0.00 179.01 179.06 1sum h VAL 57 N 0.75 1.22 -0.45 0.32 2.07 -0.66 -1.66 116.25 117.84 1sum h VAL 57 Ca 0.28 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1sum h VAL 57 Cb 0.10 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1sum h VAL 57 CO -0.14 0.26 0.08 -0.33 0.02 0.00 0.00 177.57 177.46 1sum h GLU 58 N 0.78 0.74 -0.13 1.57 5.08 -0.51 -1.04 114.58 121.07 1sum h GLU 58 Ca 0.19 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sum h GLU 58 Cb 0.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1sum h GLU 58 CO -0.02 0.76 0.08 0.82 -1.00 0.00 0.00 179.01 179.65 1sum h ILE 59 N 0.61 1.05 -0.64 3.13 1.08 -0.90 -0.43 117.51 121.41 1sum h ILE 59 Ca 0.14 -0.10 0.02 0.00 -0.39 0.00 0.00 64.86 64.53 1sum h ILE 59 Cb 0.37 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 1sum h ILE 59 CO 0.01 0.04 0.40 -0.61 -0.69 0.00 0.00 178.15 177.30 1sum h GLN 60 N 0.16 0.77 -0.27 2.37 5.75 -1.19 -0.69 115.11 122.02 1sum h GLN 60 Ca 0.05 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1sum h GLN 60 Cb 0.00 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 1sum h GLN 60 CO -0.01 0.51 0.06 1.49 -2.65 0.00 0.00 178.83 178.23 1sum h GLU 61 N 0.80 0.16 -0.28 1.69 4.81 -0.88 -2.34 114.58 118.54 1sum h GLU 61 Ca 0.25 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1sum h GLU 61 Cb -0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1sum h GLU 61 CO -0.09 0.11 -0.26 -0.22 -0.73 0.00 0.00 179.01 177.82 1sum h LYS 62 N 0.16 0.55 -0.38 1.92 1.63 -0.61 -1.63 116.57 118.22 1sum h LYS 62 Ca 0.12 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1sum h LYS 62 Cb 0.12 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1sum h LYS 62 CO -0.16 0.76 0.20 0.00 -3.45 0.00 0.00 179.45 176.81 1sum h ALA 63 N 1.24 0.48 -0.85 5.00 0.00 -1.06 -1.34 119.26 122.74 1sum h ALA 63 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sum h ALA 63 Cb 0.70 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1sum h ALA 63 CO 0.05 0.02 0.42 0.52 0.00 0.00 0.00 179.25 180.26 1sum h MET 64 N 0.48 1.21 -0.60 0.00 2.86 -0.88 -0.75 114.93 117.24 1sum h MET 64 Ca 0.13 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1sum h MET 64 Cb 0.07 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 1sum h MET 64 CO -0.02 0.92 0.27 0.93 1.06 0.00 0.00 176.91 180.07 1sum h GLU 65 N 1.20 0.88 -0.15 1.72 5.08 -1.03 0.27 114.58 122.55 1sum h GLU 65 Ca 0.29 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1sum h GLU 65 Cb 0.10 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1sum h GLU 65 CO -0.04 0.72 -0.24 0.28 -1.00 0.00 0.00 179.01 178.74 1sum h VAL 66 N 0.82 1.36 -0.57 3.13 2.07 -0.95 -1.95 116.25 120.16 1sum h VAL 66 Ca 0.20 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1sum h VAL 66 Cb 0.15 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1sum h VAL 66 CO -0.02 0.44 0.26 -0.07 0.02 0.00 0.00 177.57 178.20 1sum h LEU 67 N 0.05 0.75 -0.49 2.57 3.38 -1.12 -1.54 115.31 118.91 1sum h LEU 67 Ca 0.01 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.68 1sum h LEU 67 Cb 0.81 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1sum h LEU 67 CO 0.05 0.68 -0.75 1.23 0.09 0.00 0.00 178.44 179.74 1sum h GLY 68 N 0.77 0.09 0.07 0.83 0.00 -0.91 -1.20 103.07 102.72 1sum h GLY 68 Ca 0.19 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.20 1sum h GLY 68 CO -0.02 0.13 -0.97 -2.00 0.00 0.00 0.00 176.54 173.67 1sum h LEU 69 N 0.05 0.04 0.00 3.11 5.85 -1.37 -3.41 115.31 119.58 1sum h LEU 69 Ca -0.02 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1sum h LEU 69 Cb 1.32 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1sum h LEU 69 CO 0.10 1.39 -1.24 0.49 -0.34 0.00 0.00 178.44 178.84 1sum n PHE 70 N -4.41 0.57 -3.87 1.25 3.72 -0.58 -5.00 117.46 109.14 1sum n PHE 70 Ca -0.26 0.17 -0.28 0.00 -0.05 0.00 0.00 57.45 57.02 1sum n PHE 70 Cb 0.66 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1sum n PHE 70 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1sum n SER 71 N -2.40 -2.06 -4.79 4.37 7.64 -0.45 -4.88 113.62 111.05 1sum n SER 71 Ca -0.00 -1.02 -0.31 0.00 1.01 0.00 0.00 58.87 58.55 1sum n SER 71 Cb 0.53 -3.11 0.08 0.00 -1.01 0.00 0.00 64.21 60.70 1sum n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sum s PRO 72 N -6.41 2.47 0.24 1.43 0.04 -1.26 -5.08 135.00 126.43 1sum s PRO 72 Ca 0.17 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.29 1sum s PRO 72 Cb -0.07 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1sum s PRO 72 CO 0.88 -1.45 -0.02 0.42 0.04 0.00 0.00 177.00 176.86 1sum s ILE 73 N -2.98 1.21 0.00 0.56 -1.09 -1.26 -4.60 121.20 113.04 1sum s ILE 73 Ca 0.60 -2.06 0.00 0.00 -2.23 0.00 0.00 60.65 56.96 1sum s ILE 73 Cb -0.16 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1sum s ILE 73 CO 0.56 -0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.53 1sum n GLY 74 N -0.45 3.09 0.29 6.18 0.00 -1.26 -3.73 105.19 109.32 1sum n GLY 74 Ca -0.05 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1sum n GLY 74 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sum h LYS 75 N 0.00 -0.61 -0.88 1.61 1.63 -1.98 -0.87 116.57 115.47 1sum h LYS 75 Ca 0.00 0.04 0.12 0.00 -0.85 0.00 0.00 60.65 59.96 1sum h LYS 75 Cb 0.00 0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.70 1sum h LYS 75 CO 0.00 -0.41 0.57 -1.00 -3.45 0.00 0.00 179.45 175.16 1sum h PRO 76 N -0.63 0.75 -0.37 1.90 0.13 -1.97 -0.76 132.00 131.04 1sum h PRO 76 Ca -0.05 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 1sum h PRO 76 Cb 0.52 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1sum h PRO 76 CO 0.05 0.50 0.05 1.25 -0.23 0.00 0.00 178.00 179.61 1sum h LEU 77 N 0.77 0.60 -0.93 1.56 5.85 -1.53 -2.06 115.31 119.58 1sum h LEU 77 Ca 0.43 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1sum h LEU 77 Cb 0.57 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1sum h LEU 77 CO -0.19 0.72 0.60 -0.07 -0.34 0.00 0.00 178.44 179.15 1sum h LEU 78 N 0.46 0.98 -0.47 2.25 -0.00 -0.71 -1.32 115.31 116.49 1sum h LEU 78 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.90 1sum h LEU 78 Cb 0.38 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1sum h LEU 78 CO 0.01 0.65 -0.06 0.74 -0.00 0.00 0.00 178.44 179.78 1sum h THR 79 N 1.13 1.27 -0.03 0.22 2.02 -0.99 -0.09 112.91 116.44 1sum h THR 79 Ca 0.38 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1sum h THR 79 Cb 0.08 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1sum h THR 79 CO -0.14 0.40 -0.01 0.58 0.37 0.00 0.00 175.52 176.72 1sum h VAL 80 N 0.71 1.33 -0.70 3.16 2.07 -1.09 -0.43 116.25 121.30 1sum h VAL 80 Ca 0.12 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1sum h VAL 80 Cb 0.59 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1sum h VAL 80 CO 0.04 0.26 0.33 0.71 0.02 0.00 0.00 177.57 178.93 1sum h THR 81 N -0.35 1.23 -0.87 2.57 1.35 -1.23 -1.31 112.91 114.30 1sum h THR 81 Ca 0.01 -0.65 0.01 0.00 -0.55 0.00 0.00 66.41 65.23 1sum h THR 81 Cb 0.43 0.34 -0.04 0.00 -1.73 0.00 0.00 68.15 67.15 1sum h THR 81 CO 0.00 0.27 0.58 0.00 -0.25 0.00 0.00 175.52 176.12 1sum h ALA 82 N 1.36 1.12 -0.75 6.62 0.00 -0.95 -2.43 119.26 124.22 1sum h ALA 82 Ca 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1sum h ALA 82 Cb 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1sum h ALA 82 CO -0.03 0.50 0.39 0.78 0.00 0.00 0.00 179.25 180.89 1sum h GLY 83 N 1.17 1.12 0.90 0.00 0.00 -0.12 -0.14 103.07 106.01 1sum h GLY 83 Ca 0.32 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1sum h GLY 83 CO -0.08 0.50 0.27 -2.22 0.00 0.00 0.00 176.54 175.01 1sum h ILE 84 N 1.05 1.05 -0.43 2.60 2.04 -0.85 -1.84 117.51 121.13 1sum h ILE 84 Ca 0.26 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.79 1sum h ILE 84 Cb 0.06 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1sum h ILE 84 CO -0.04 0.10 -0.31 0.03 0.00 0.00 0.00 178.15 177.93 1sum h ARG 85 N 0.54 0.98 -0.36 2.37 3.08 -1.05 -3.03 114.38 116.91 1sum h ARG 85 Ca 0.18 -0.47 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 1sum h ARG 85 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1sum h ARG 85 CO -0.08 1.14 -0.14 0.28 -1.07 0.00 0.00 179.97 180.10 1sum h VAL 86 N 0.82 1.25 -0.33 2.04 2.07 -0.91 -2.75 116.25 118.43 1sum h VAL 86 Ca 0.08 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1sum h VAL 86 Cb 0.90 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1sum h VAL 86 CO 0.08 0.38 -0.19 0.00 0.02 0.00 0.00 177.57 177.87 1sum h ALA 87 N 1.27 1.06 -0.46 1.67 0.00 -1.22 0.19 119.26 121.77 1sum h ALA 87 Ca 0.10 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1sum h ALA 87 Cb 0.58 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1sum h ALA 87 CO 0.04 0.57 -0.02 1.49 0.00 0.00 0.00 179.25 181.33 1sum h GLU 88 N 0.55 0.76 -0.61 0.00 4.57 -1.43 -0.79 114.58 117.64 1sum h GLU 88 Ca 0.09 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 1sum h GLU 88 Cb 0.62 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1sum h GLU 88 CO 0.04 0.78 0.19 -0.07 -1.18 0.00 0.00 179.01 178.78 1sum h LEU 89 N 0.71 0.88 -0.57 1.64 3.38 -1.06 -1.49 115.31 118.80 1sum h LEU 89 Ca 0.14 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1sum h LEU 89 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1sum h LEU 89 CO 0.02 0.85 0.09 0.40 0.09 0.00 0.00 178.44 179.90 1sum h ILE 90 N 0.86 1.26 -0.45 1.22 2.04 -0.81 -0.56 117.51 121.06 1sum h ILE 90 Ca 0.20 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1sum h ILE 90 Cb 0.28 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1sum h ILE 90 CO -0.01 0.35 0.12 -0.08 0.00 0.00 0.00 178.15 178.53 1sum h GLU 91 N 0.83 0.72 -0.42 2.37 4.22 -1.02 -1.51 114.58 119.77 1sum h GLU 91 Ca 0.17 -0.17 -0.06 0.00 0.08 0.00 0.00 59.36 59.38 1sum h GLU 91 Cb 0.41 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1sum h GLU 91 CO 0.01 0.71 0.01 -0.91 -2.18 0.00 0.00 179.01 176.65 1sum h ASN 92 N 0.59 0.64 -0.54 1.04 2.35 -0.89 -1.30 115.58 117.47 1sum h ASN 92 Ca 0.14 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1sum h ASN 92 Cb 0.31 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1sum h ASN 92 CO 0.00 0.71 0.34 0.40 -1.65 0.00 0.00 177.43 177.22 1sum h ILE 93 N 0.64 1.15 -0.83 2.81 2.04 -0.85 -1.23 117.51 121.25 1sum h ILE 93 Ca 0.13 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1sum h ILE 93 Cb 0.39 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1sum h ILE 93 CO 0.01 0.16 0.50 0.00 0.00 0.00 0.00 178.15 178.82 1sum h ALA 94 N 1.17 1.32 -0.83 1.87 0.00 -0.44 -0.50 119.26 121.86 1sum h ALA 94 Ca 0.20 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1sum h ALA 94 Cb -0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.36 1sum h ALA 94 CO -0.04 0.58 0.52 -0.44 0.00 0.00 0.00 179.25 179.88 1sum h ASP 95 N 1.14 0.83 -0.06 0.00 3.32 -0.57 -0.43 116.42 120.65 1sum h ASP 95 Ca 0.30 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.20 1sum h ASP 95 Cb -0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1sum h ASP 95 CO -0.06 0.55 -0.50 0.11 -1.72 0.00 0.00 179.24 177.62 1sum h LYS 96 N 0.97 0.62 -0.44 3.56 1.79 -0.42 -1.05 116.57 121.61 1sum h LYS 96 Ca 0.35 -0.37 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1sum h LYS 96 Cb 0.11 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1sum h LYS 96 CO -0.15 0.98 0.15 0.00 -1.08 0.00 0.00 179.45 179.35 1sum h HIS 98 N 0.57 0.33 -0.13 0.00 -0.00 -0.93 -1.49 115.15 113.51 1sum h HIS 98 Ca 0.14 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.45 1sum h HIS 98 Cb 0.23 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 1sum h HIS 98 CO 0.01 0.05 -0.36 -0.44 -0.00 0.00 0.00 177.93 177.19 1sum h ASP 99 N 0.35 0.27 -0.39 3.26 3.32 -0.87 -1.10 116.42 121.26 1sum h ASP 99 Ca 0.31 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1sum h ASP 99 Cb 0.41 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1sum h ASP 99 CO -0.33 0.62 0.12 0.40 -1.72 0.00 0.00 179.24 178.32 1sum h ILE 100 N 0.23 1.22 -0.72 0.35 2.04 -0.73 -2.30 117.51 117.60 1sum h ILE 100 Ca 0.03 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1sum h ILE 100 Cb 0.75 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1sum h ILE 100 CO 0.06 0.25 0.38 0.00 0.00 0.00 0.00 178.15 178.84 1sum h ALA 101 N 0.96 0.92 -0.63 1.87 0.00 -0.95 -0.07 119.26 121.36 1sum h ALA 101 Ca 0.13 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1sum h ALA 101 Cb 0.27 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1sum h ALA 101 CO -0.00 0.45 0.36 0.87 0.00 0.00 0.00 179.25 180.93 1sum h LYS 102 N 1.00 0.65 -0.60 0.00 1.57 -1.13 -1.80 116.57 116.25 1sum h LYS 102 Ca 0.25 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1sum h LYS 102 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1sum h LYS 102 CO -0.04 0.43 0.10 -0.91 -0.57 0.00 0.00 179.45 178.47 1sum h ASN 103 N 0.67 0.93 -0.22 0.86 4.21 -0.82 -2.65 115.58 118.56 1sum h ASN 103 Ca 0.28 -0.20 0.03 0.00 1.21 0.00 0.00 56.30 57.61 1sum h ASN 103 Cb 0.14 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.07 1sum h ASN 103 CO -0.16 0.93 0.05 0.58 -1.29 0.00 0.00 177.43 177.54 1sum h VAL 104 N 0.92 0.91 -0.87 2.81 2.07 -0.52 -0.30 116.25 121.28 1sum h VAL 104 Ca 0.19 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1sum h VAL 104 Cb 0.40 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1sum h VAL 104 CO 0.01 0.03 0.54 -0.07 0.02 0.00 0.00 177.57 178.09 1sum h LEU 105 N 0.15 0.83 -0.40 2.57 3.38 -1.27 -1.18 115.31 119.38 1sum h LEU 105 Ca 0.10 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1sum h LEU 105 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1sum h LEU 105 CO -0.12 0.51 -0.33 -0.08 0.09 0.00 0.00 178.44 178.51 1sum h GLU 106 N 0.95 0.93 -0.23 1.13 4.57 -1.12 -2.93 114.58 117.88 1sum h GLU 106 Ca 0.39 -0.47 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1sum h GLU 106 Cb 0.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1sum h GLU 106 CO -0.20 1.12 0.16 -0.07 -1.18 0.00 0.00 179.01 178.85 1sum h LEU 107 N 0.76 0.26 -0.11 1.64 4.07 -0.46 -2.25 115.31 119.22 1sum h LEU 107 Ca 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1sum h LEU 107 Cb 0.92 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.60 1sum h LEU 107 CO 0.09 0.19 0.00 0.23 -1.08 0.00 0.00 178.44 177.86 1sum n MET 108 N -4.50 0.06 0.06 1.13 2.81 -0.50 -2.76 117.12 113.42 1sum n MET 108 Ca 0.01 0.20 0.09 0.00 -1.81 0.00 0.00 57.70 56.19 1sum n MET 108 Cb 0.08 -1.59 0.40 0.00 -0.71 0.00 0.00 33.22 31.41 1sum n MET 108 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1sum n GLU 109 N -1.69 0.10 -3.95 0.03 1.02 -0.85 -4.83 120.64 110.47 1sum n GLU 109 Ca 0.04 0.33 -0.10 0.00 -0.02 0.00 0.00 57.16 57.42 1sum n GLU 109 Cb 0.25 -1.68 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 1sum n GLU 109 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1sum s GLU 110 N -3.15 1.21 0.88 3.49 -1.05 -1.11 -5.16 118.70 113.81 1sum s GLU 110 Ca 0.06 -1.17 -0.10 0.00 -0.15 0.00 0.00 54.97 53.61 1sum s GLU 110 Cb 0.10 0.40 0.13 0.00 -0.44 0.00 0.00 34.13 34.31 1sum s GLU 110 CO 0.33 -0.46 1.14 -1.25 0.95 0.00 0.00 175.26 175.98 1sum s PRO 111 N -3.97 1.27 0.27 -4.83 0.04 -1.26 -4.90 135.00 121.63 1sum s PRO 111 Ca 0.18 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 1sum s PRO 111 Cb 0.03 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 1sum s PRO 111 CO 0.01 -2.44 1.53 -2.30 0.04 0.00 0.00 177.00 173.85 1sum n PRO 112 N -4.04 2.46 -0.03 0.56 -0.02 -1.26 -4.93 135.00 127.74 1sum n PRO 112 Ca 0.12 0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 62.32 1sum n PRO 112 Cb 0.52 -2.62 -0.09 0.00 -0.02 0.00 0.00 33.50 31.29 1sum n PRO 112 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sum h LEU 113 N 4.68 0.47 -7.58 2.45 7.12 -1.95 -3.49 115.31 117.02 1sum h LEU 113 Ca -0.46 -0.64 0.18 0.00 0.13 0.00 0.00 57.88 57.09 1sum h LEU 113 Cb 1.24 -0.14 -0.09 0.00 -0.53 0.00 0.00 40.66 41.14 1sum h LEU 113 CO 0.79 1.04 0.50 -1.59 -0.13 0.00 0.00 178.44 179.05 1sum s LYS 114 N -3.66 1.12 0.33 1.25 -2.85 -1.26 -5.15 119.74 109.52 1sum s LYS 114 Ca -0.14 -0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 53.94 1sum s LYS 114 Cb 0.04 0.39 -0.11 0.00 -2.06 0.00 0.00 37.83 36.09 1sum s LYS 114 CO 0.79 -0.51 1.54 -2.14 0.10 0.00 0.00 175.35 175.13 1sum s PRO 115 N -3.22 4.12 -0.30 1.78 0.02 -1.26 -5.01 135.00 131.13 1sum s PRO 115 Ca 0.12 2.57 -0.11 0.00 0.02 0.00 0.00 61.00 63.59 1sum s PRO 115 Cb -0.01 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1sum s PRO 115 CO 0.01 -0.58 0.19 -0.51 -0.33 0.00 0.00 177.00 175.78 1sum s LEU 116 N -1.20 4.14 0.15 -5.54 1.43 -1.26 -4.89 118.68 111.51 1sum s LEU 116 Ca 0.58 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1sum s LEU 116 Cb -0.47 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1sum s LEU 116 CO 0.54 -0.12 0.00 -1.84 0.23 0.00 0.00 176.35 175.17 1sum n GLU 117 N 5.06 0.00 -0.02 1.70 0.28 -1.26 -4.78 120.64 121.62 1sum n GLU 117 Ca -0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.85 1sum n GLU 117 Cb 0.51 -0.31 0.25 0.00 1.43 0.00 0.00 31.44 33.32 1sum n GLU 117 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1sum h ASP 118 N 0.00 0.54 0.16 -1.84 3.32 -1.98 -1.92 116.42 114.70 1sum h ASP 118 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1sum h ASP 118 Cb 0.09 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1sum h ASP 118 CO 0.00 0.65 -0.08 0.40 -1.72 0.00 0.00 179.24 178.49 1sum h ILE 119 N 0.53 0.97 -1.02 0.35 1.08 -1.95 0.27 117.51 117.74 1sum h ILE 119 Ca 0.11 -0.91 0.25 0.00 -0.39 0.00 0.00 64.86 63.92 1sum h ILE 119 Cb 0.42 1.49 -0.09 0.00 -3.07 0.00 0.00 36.82 35.57 1sum h ILE 119 CO 0.02 0.20 0.65 -0.65 -0.69 0.00 0.00 178.15 177.68 1sum h PRO 120 N -0.68 0.42 -0.17 2.37 0.11 -1.85 -0.78 132.00 131.41 1sum h PRO 120 Ca -0.02 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.85 1sum h PRO 120 Cb 0.49 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.52 1sum h PRO 120 CO 0.04 0.28 -0.72 0.00 -0.21 0.00 0.00 178.00 177.38 1sum h ALA 121 N 1.63 0.40 -0.42 -0.75 0.00 -1.14 -0.59 119.26 118.39 1sum h ALA 121 Ca 0.58 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1sum h ALA 121 Cb 1.40 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1sum h ALA 121 CO -0.30 0.70 0.19 0.52 0.00 0.00 0.00 179.25 180.36 1sum h MET 122 N 0.52 0.37 -0.64 0.00 2.86 -0.11 -2.16 114.93 115.77 1sum h MET 122 Ca -0.03 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1sum h MET 122 Cb 1.33 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 1sum h MET 122 CO 0.15 0.25 0.17 0.00 1.06 0.00 0.00 176.91 178.53 1sum h ALA 123 N 1.24 0.84 -0.47 6.32 0.00 -1.02 -0.84 119.26 125.33 1sum h ALA 123 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1sum h ALA 123 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1sum h ALA 123 CO -0.15 0.54 0.25 -0.91 0.00 0.00 0.00 179.25 178.98 1sum h ASN 124 N 0.94 0.59 -0.12 0.00 2.35 -0.97 0.14 115.58 118.51 1sum h ASN 124 Ca 0.20 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1sum h ASN 124 Cb 0.34 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1sum h ASN 124 CO -0.00 0.52 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.45 1sum h GLN 125 N 0.61 0.56 -0.27 0.81 5.75 -1.19 -2.13 115.11 119.25 1sum h GLN 125 Ca 0.16 -0.22 -0.18 0.00 -0.15 0.00 0.00 58.65 58.27 1sum h GLN 125 Cb 0.07 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1sum h GLN 125 CO -0.02 0.76 -0.55 1.15 -2.65 0.00 0.00 178.83 177.52 1sum h THR 126 N 0.50 1.28 -0.16 2.39 2.02 -0.67 -1.96 112.91 116.31 1sum h THR 126 Ca 0.07 -1.74 -0.08 0.00 0.77 0.00 0.00 66.41 65.43 1sum h THR 126 Cb 0.68 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1sum h THR 126 CO 0.05 0.56 -0.24 0.77 0.37 0.00 0.00 175.52 177.03 1sum h SER 127 N 0.64 0.29 -0.60 4.18 4.64 -0.56 0.04 113.55 122.17 1sum h SER 127 Ca 0.01 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1sum h SER 127 Cb 1.15 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 1sum h SER 127 CO 0.12 0.54 0.33 -0.33 -0.87 0.00 0.00 176.83 176.62 1sum h GLU 128 N 0.27 0.83 -0.39 4.77 4.39 -1.20 -1.97 114.58 121.28 1sum h GLU 128 Ca 0.04 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1sum h GLU 128 Cb 0.58 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1sum h GLU 128 CO 0.04 0.63 0.00 0.52 -1.16 0.00 0.00 179.01 179.05 1sum h MET 129 N 0.81 0.68 -0.14 2.33 2.86 -0.77 -1.00 114.93 119.70 1sum h MET 129 Ca 0.21 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1sum h MET 129 Cb 0.04 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1sum h MET 129 CO -0.03 0.77 -0.06 -0.07 1.06 0.00 0.00 176.91 178.58 1sum h LEU 130 N 0.50 -0.19 -0.39 1.22 3.38 -0.96 0.11 115.31 118.98 1sum h LEU 130 Ca 0.11 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1sum h LEU 130 Cb 0.46 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1sum h LEU 130 CO 0.02 -0.07 0.19 0.50 0.09 0.00 0.00 178.44 179.17 1sum h LYS 131 N -0.03 0.38 -0.73 1.13 3.64 -1.28 -1.82 116.57 117.87 1sum h LYS 131 Ca 0.08 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1sum h LYS 131 Cb 0.15 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1sum h LYS 131 CO -0.17 0.25 0.26 0.35 -2.27 0.00 0.00 179.45 177.88 1sum h PHE 132 N 0.40 1.14 -0.63 1.91 3.57 -0.97 -1.94 116.94 120.42 1sum h PHE 132 Ca 0.17 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1sum h PHE 132 Cb 0.07 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 1sum h PHE 132 CO -0.10 0.89 0.23 0.00 -2.23 0.00 0.00 178.31 177.10 1sum h ALA 133 N 1.13 0.82 0.00 2.41 0.00 -0.43 -0.67 119.26 122.52 1sum h ALA 133 Ca 0.24 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1sum h ALA 133 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1sum h ALA 133 CO -0.01 0.46 -0.52 -0.07 0.00 0.00 0.00 179.25 179.10 1sum h LEU 134 N 0.89 0.00 -0.42 0.00 3.38 -1.12 -0.65 115.31 117.39 1sum h LEU 134 Ca 0.21 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 1sum h LEU 134 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1sum h LEU 134 CO -0.01 0.52 -0.79 0.03 0.09 0.00 0.00 178.44 178.28 1sum h ARG 135 N 0.00 0.03 -0.32 1.13 3.08 -0.97 -1.79 114.38 115.54 1sum h ARG 135 Ca -0.01 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1sum h ARG 135 Cb 1.02 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1sum h ARG 135 CO 0.07 0.81 -0.32 0.52 -1.07 0.00 0.00 179.97 179.97 1sum h MET 136 N 0.02 0.78 -0.96 0.04 2.86 -0.67 -1.74 114.93 115.26 1sum h MET 136 Ca -0.01 -0.41 0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1sum h MET 136 Cb 1.40 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 33.02 1sum h MET 136 CO 0.11 1.04 0.63 0.35 1.06 0.00 0.00 176.91 180.10 1sum h PHE 137 N 0.55 1.19 -0.40 -0.22 3.57 -1.04 -1.08 116.94 119.51 1sum h PHE 137 Ca 0.05 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1sum h PHE 137 Cb 0.90 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1sum h PHE 137 CO 0.07 0.70 -0.24 0.00 -2.23 0.00 0.00 178.31 176.61 1sum h ALA 138 N 1.43 0.57 -1.60 2.41 0.00 -1.27 -3.42 119.26 117.38 1sum h ALA 138 Ca 0.38 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1sum h ALA 138 Cb -0.02 -0.13 -0.27 0.00 0.00 0.00 0.00 17.79 17.36 1sum h ALA 138 CO -0.11 0.56 -0.53 0.34 0.00 0.00 0.00 179.25 179.51 1sum s ASP 139 N -6.63 0.10 0.11 0.00 -1.08 -0.66 -5.10 116.67 103.42 1sum s ASP 139 Ca -0.12 -0.52 -0.31 0.00 -0.52 0.00 0.00 52.55 51.09 1sum s ASP 139 Cb 0.11 1.21 -0.08 0.00 -1.46 0.00 0.00 42.92 42.70 1sum s ASP 139 CO 0.85 -0.32 1.41 0.68 0.52 0.00 0.00 175.17 178.31 1sum s VAL 140 N 2.37 3.26 -0.29 1.11 -7.23 -0.43 -4.44 120.40 114.74 1sum s VAL 140 Ca 0.11 0.89 0.02 0.00 -1.81 0.00 0.00 61.98 61.19 1sum s VAL 140 Cb -0.12 -3.57 0.08 0.00 0.56 0.00 0.00 36.38 33.34 1sum s VAL 140 CO -0.24 0.06 0.00 0.21 -0.31 0.00 0.00 175.10 174.82 1sum s ASN 141 N 1.18 4.35 0.25 4.85 3.84 -1.26 -5.02 114.94 123.13 1sum s ASN 141 Ca 0.65 -1.68 0.00 0.00 0.21 0.00 0.00 52.86 52.04 1sum s ASN 141 Cb -0.37 -1.37 0.32 0.00 -0.55 0.00 0.00 41.25 39.27 1sum s ASN 141 CO 0.30 -0.31 1.67 0.58 -2.79 0.00 0.00 177.10 176.54 1sum h VAL 142 N 6.63 1.28 0.00 -5.21 2.07 -1.98 0.11 116.25 119.15 1sum h VAL 142 Ca -0.12 -1.37 -0.09 0.00 0.82 0.00 0.00 66.70 65.94 1sum h VAL 142 Cb 1.04 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1sum h VAL 142 CO 0.47 0.44 -0.42 -0.08 0.02 0.00 0.00 177.57 178.00 1sum h GLU 143 N 0.47 0.00 0.00 1.57 4.57 -2.03 -2.95 114.58 116.21 1sum h GLU 143 Ca 0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1sum h GLU 143 Cb 0.75 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1sum h GLU 143 CO 0.06 0.42 -1.45 1.63 -1.18 0.00 0.00 179.01 178.48 1sum n LYS 144 N -4.01 0.63 0.25 1.92 5.02 -1.08 -4.19 118.16 116.70 1sum n LYS 144 Ca -0.02 0.06 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1sum n LYS 144 Cb 0.45 -1.72 0.65 0.00 -0.02 0.00 0.00 35.03 34.38 1sum n LYS 144 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sum h SER 145 N 0.00 0.00 -1.39 4.39 4.64 -0.79 -0.80 113.55 119.59 1sum h SER 145 Ca -0.08 0.00 0.44 0.00 -0.47 0.00 0.00 61.79 61.69 1sum h SER 145 Cb 1.23 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.20 1sum h SER 145 CO 0.01 0.09 0.92 0.15 -0.87 0.00 0.00 176.83 177.13 1sum h PHE 146 N 0.00 0.43 -0.02 4.77 3.04 -1.72 -2.29 116.94 121.14 1sum h PHE 146 Ca -0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1sum h PHE 146 Cb 0.17 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1sum h PHE 146 CO 0.00 -0.16 -0.12 0.93 -2.02 0.00 0.00 178.31 176.94 1sum h GLU 147 N 0.08 0.04 -0.73 1.11 4.39 -1.43 -2.73 114.58 115.31 1sum h GLU 147 Ca 0.82 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.58 1sum h GLU 147 Cb 2.69 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 31.28 1sum h GLU 147 CO -0.34 0.16 0.48 -0.24 -1.16 0.00 0.00 179.01 177.91 1sum h VAL 148 N 0.04 0.99 -0.20 3.13 3.04 -1.62 -2.30 116.25 119.32 1sum h VAL 148 Ca 0.01 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1sum h VAL 148 Cb 0.24 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 1sum h VAL 148 CO 0.02 0.13 0.07 0.00 -1.01 0.00 0.00 177.57 176.78 1sum h ARG 150 N 0.17 1.15 -0.57 0.00 3.08 -1.63 -2.54 114.38 114.03 1sum h ARG 150 Ca 0.07 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1sum h ARG 150 Cb 0.20 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1sum h ARG 150 CO -0.00 0.76 0.26 0.52 -1.07 0.00 0.00 179.97 180.44 1sum h MET 151 N 1.19 0.81 0.00 0.04 2.86 -0.92 -2.47 114.93 116.44 1sum h MET 151 Ca 0.39 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.84 1sum h MET 151 Cb 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1sum h MET 151 CO -0.13 0.64 -0.38 0.22 1.06 0.00 0.00 176.91 178.31 1sum h ASP 152 N 0.81 0.00 0.42 1.22 1.82 -0.83 -2.72 116.42 117.14 1sum h ASP 152 Ca 0.20 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.77 1sum h ASP 152 Cb 0.10 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1sum h ASP 152 CO -0.02 0.38 -0.35 0.28 -1.61 0.00 0.00 179.24 177.92 1sum h SER 153 N 0.00 0.00 -0.34 2.28 0.02 -1.23 0.64 113.55 114.92 1sum h SER 153 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1sum h SER 153 Cb 0.70 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1sum h SER 153 CO 0.05 0.35 -0.26 0.11 -1.14 0.00 0.00 176.83 175.95 1sum h LYS 154 N 0.00 0.77 -0.49 3.45 6.56 -1.47 -1.73 116.57 123.67 1sum h LYS 154 Ca -0.00 -0.38 -0.04 0.00 -1.06 0.00 0.00 60.65 59.17 1sum h LYS 154 Cb 0.66 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.30 1sum h LYS 154 CO 0.05 1.00 0.14 0.28 -2.06 0.00 0.00 179.45 178.86 1sum h VAL 155 N 0.55 1.23 -0.26 0.50 2.07 -1.27 -2.05 116.25 117.02 1sum h VAL 155 Ca 0.06 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1sum h VAL 155 Cb 0.82 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1sum h VAL 155 CO 0.07 0.29 0.12 0.44 0.02 0.00 0.00 177.57 178.50 1sum h ASP 156 N 0.66 0.17 -0.86 0.57 3.32 -0.79 -0.94 116.42 118.54 1sum h ASP 156 Ca 0.16 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1sum h ASP 156 Cb 0.29 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1sum h ASP 156 CO -0.00 0.13 0.42 0.44 -1.72 0.00 0.00 179.24 178.51 1sum h ASP 157 N 0.26 1.12 -0.47 6.45 3.32 -1.25 -1.82 116.42 124.04 1sum h ASP 157 Ca 0.11 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1sum h ASP 157 Cb 0.05 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1sum h ASP 157 CO -0.09 0.94 0.12 -0.07 -1.72 0.00 0.00 179.24 178.42 1sum h LEU 158 N 1.23 0.70 -0.32 1.55 -0.00 -1.20 -2.54 115.31 114.73 1sum h LEU 158 Ca 0.30 -0.23 0.04 0.00 -0.00 0.00 0.00 57.88 57.99 1sum h LEU 158 Cb 0.11 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.54 1sum h LEU 158 CO -0.04 0.75 0.10 0.22 -0.00 0.00 0.00 178.44 179.47 1sum h TYR 159 N 0.63 0.18 -1.01 1.13 3.20 -0.89 -0.32 116.97 119.89 1sum h TYR 159 Ca 0.15 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1sum h TYR 159 Cb 0.31 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1sum h TYR 159 CO 0.02 0.07 0.66 1.49 -1.64 0.00 0.00 178.16 178.77 1sum h GLU 160 N 0.23 1.29 0.02 1.82 4.81 -1.26 0.68 114.58 122.18 1sum h GLU 160 Ca 0.14 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1sum h GLU 160 Cb 0.12 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1sum h GLU 160 CO -0.16 0.86 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.75 1sum h LYS 161 N 1.33 -0.03 -0.67 1.92 3.64 -1.01 -2.18 116.57 119.56 1sum h LYS 161 Ca 0.38 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.78 1sum h LYS 161 Cb -0.10 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1sum h LYS 161 CO -0.10 0.22 0.43 0.28 -2.27 0.00 0.00 179.45 178.02 1sum h VAL 162 N -0.27 1.13 -0.30 2.00 2.07 -0.81 -1.40 116.25 118.66 1sum h VAL 162 Ca -0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1sum h VAL 162 Cb 0.26 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1sum h VAL 162 CO 0.00 0.16 0.20 -0.09 0.02 0.00 0.00 177.57 177.86 1sum h ARG 163 N 0.87 0.40 -0.59 1.57 2.43 -0.79 -0.22 114.38 118.05 1sum h ARG 163 Ca 0.26 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1sum h ARG 163 Cb -0.05 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1sum h ARG 163 CO -0.08 0.27 0.02 1.49 -1.51 0.00 0.00 179.97 180.16 1sum h GLU 164 N 0.40 1.03 -0.38 0.20 4.57 -1.09 -1.43 114.58 117.89 1sum h GLU 164 Ca 0.11 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 57.90 1sum h GLU 164 Cb -0.04 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1sum h GLU 164 CO -0.02 1.01 -0.04 1.49 -1.18 0.00 0.00 179.01 180.26 1sum h GLU 165 N 0.93 0.70 -0.01 1.92 4.81 -1.02 -2.57 114.58 119.34 1sum h GLU 165 Ca 0.17 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1sum h GLU 165 Cb 0.53 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1sum h GLU 165 CO 0.03 0.82 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.49 1sum h LEU 166 N 0.51 0.03 -0.87 1.64 3.38 -0.97 -2.08 115.31 116.94 1sum h LEU 166 Ca 0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1sum h LEU 166 Cb 0.54 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1sum h LEU 166 CO 0.03 0.59 0.29 -0.07 0.09 0.00 0.00 178.44 179.36 1sum h LEU 167 N 0.02 1.03 -0.74 1.67 -0.00 -1.15 -1.01 115.31 115.13 1sum h LEU 167 Ca -0.01 -0.16 -0.06 0.00 -0.00 0.00 0.00 57.88 57.66 1sum h LEU 167 Cb 1.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.37 1sum h LEU 167 CO 0.07 0.92 0.24 -0.07 -0.00 0.00 0.00 178.44 179.61 1sum h LEU 168 N 1.09 1.07 -0.32 1.67 3.38 -1.04 -2.01 115.31 119.16 1sum h LEU 168 Ca 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1sum h LEU 168 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1sum h LEU 168 CO -0.02 0.99 0.12 1.88 0.09 0.00 0.00 178.44 181.50 1sum h TYR 169 N 1.10 0.50 -0.96 1.13 -1.99 -1.02 -1.65 116.97 114.07 1sum h TYR 169 Ca 0.24 -0.04 0.14 0.00 2.00 0.00 0.00 58.73 61.07 1sum h TYR 169 Cb 0.29 -0.15 -0.08 0.00 2.00 0.00 0.00 36.73 38.80 1sum h TYR 169 CO 0.02 0.49 0.61 0.52 -0.00 0.00 0.00 178.16 179.80 1sum h MET 170 N 0.36 0.82 0.00 4.88 2.86 -1.05 -2.21 114.93 120.59 1sum h MET 170 Ca 0.10 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1sum h MET 170 Cb 0.21 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1sum h MET 170 CO -0.01 0.54 -0.17 0.52 1.06 0.00 0.00 176.91 178.85 1sum h MET 171 N 0.84 0.00 -0.15 1.72 2.86 -1.02 -3.36 114.93 115.82 1sum h MET 171 Ca 0.49 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.06 1sum h MET 171 Cb 0.63 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1sum h MET 171 CO -0.25 0.10 -0.16 0.93 1.06 0.00 0.00 176.91 178.59 1sum h GLU 172 N 0.00 0.37 -2.71 1.72 4.39 -0.65 -3.46 114.58 114.24 1sum h GLU 172 Ca -0.00 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.39 1sum h GLU 172 Cb 1.08 0.01 -0.22 0.00 -0.10 0.00 0.00 28.75 29.52 1sum h GLU 172 CO 0.01 0.76 -0.17 0.45 -1.16 0.00 0.00 179.01 178.90 1sum s SER 173 N -6.15 -0.39 0.57 1.42 0.15 -1.21 -5.04 113.70 103.05 1sum s SER 173 Ca -0.14 0.59 0.26 0.00 0.70 0.00 0.00 55.95 57.35 1sum s SER 173 Cb 0.05 0.65 1.63 0.00 -1.71 0.00 0.00 66.02 66.64 1sum s SER 173 CO 0.76 -0.32 2.19 1.55 1.20 0.00 0.00 173.24 178.62 1sum h PRO 174 N 4.56 0.00 0.00 5.44 0.13 -1.90 -2.70 132.00 137.54 1sum h PRO 174 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1sum h PRO 174 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1sum h PRO 174 CO 0.31 0.00 0.00 1.57 -0.23 0.00 0.00 178.00 179.65 1sum h LYS 175 N 0.00 0.00 0.00 0.86 2.10 -1.94 -2.95 116.57 114.63 1sum h LYS 175 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1sum h LYS 175 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1sum h LYS 175 CO -0.00 0.00 -0.73 1.88 -2.00 0.00 0.00 179.45 178.60 1sum h TYR 176 N 0.00 0.00 0.03 0.07 0.05 -1.76 -3.42 116.97 111.93 1sum h TYR 176 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1sum h TYR 176 Cb 0.64 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 1sum h TYR 176 CO 0.00 0.00 -0.27 0.28 -1.05 0.00 0.00 178.16 177.12 1sum h VAL 177 N 0.00 0.40 -0.28 -2.88 2.07 -1.57 -1.37 116.25 112.61 1sum h VAL 177 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1sum h VAL 177 Cb 0.88 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1sum h VAL 177 CO 0.00 0.00 0.06 0.50 0.02 0.00 0.00 177.57 178.15 1sum h LYS 178 N -0.43 0.46 -0.49 1.57 3.64 -1.82 -0.43 116.57 119.07 1sum h LYS 178 Ca 0.05 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1sum h LYS 178 Cb 0.50 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1sum h LYS 178 CO -0.22 0.55 0.24 0.00 -2.27 0.00 0.00 179.45 177.75 1sum h ARG 179 N 0.29 0.71 -0.82 1.90 3.08 -1.85 -0.93 114.38 116.76 1sum h ARG 179 Ca 0.09 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1sum h ARG 179 Cb 0.30 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1sum h ARG 179 CO 0.00 0.60 0.42 0.00 -1.07 0.00 0.00 179.97 179.92 1sum h ALA 180 N 1.08 1.20 -0.20 0.04 0.00 -1.00 -0.30 119.26 120.08 1sum h ALA 180 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sum h ALA 180 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sum h ALA 180 CO -0.02 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 181.10 1sum h LEU 181 N 1.15 0.36 -0.76 0.00 5.85 -0.78 -0.81 115.31 120.33 1sum h LEU 181 Ca 0.28 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1sum h LEU 181 Cb 0.07 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1sum h LEU 181 CO -0.04 0.59 0.33 -0.07 -0.34 0.00 0.00 178.44 178.91 1sum h LEU 182 N 0.12 1.03 -0.81 2.25 3.38 -0.86 0.04 115.31 120.46 1sum h LEU 182 Ca 0.06 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1sum h LEU 182 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1sum h LEU 182 CO 0.01 0.91 0.04 -0.07 0.09 0.00 0.00 178.44 179.42 1sum h LEU 183 N 1.09 0.91 -0.49 1.67 3.38 -1.01 -1.90 115.31 118.96 1sum h LEU 183 Ca 0.26 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1sum h LEU 183 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1sum h LEU 183 CO -0.03 0.94 -0.01 0.25 0.09 0.00 0.00 178.44 179.68 1sum h LEU 184 N 0.88 0.85 -0.91 1.67 5.85 -0.36 -1.67 115.31 121.63 1sum h LEU 184 Ca 0.17 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1sum h LEU 184 Cb 0.45 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1sum h LEU 184 CO 0.02 0.96 0.49 -0.33 -0.34 0.00 0.00 178.44 179.24 1sum h GLU 185 N 0.72 1.26 -0.26 1.25 5.08 -0.97 -1.25 114.58 120.41 1sum h GLU 185 Ca 0.14 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sum h GLU 185 Cb 0.53 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1sum h GLU 185 CO 0.03 0.92 0.17 0.82 -1.00 0.00 0.00 179.01 179.95 1sum h ILE 186 N 1.26 1.07 -0.61 3.13 2.04 -1.06 -1.47 117.51 121.88 1sum h ILE 186 Ca 0.32 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 66.12 1sum h ILE 186 Cb 0.03 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1sum h ILE 186 CO -0.05 0.07 0.27 0.00 0.00 0.00 0.00 178.15 178.44 1sum h ALA 187 N 1.09 0.80 -0.67 1.87 0.00 -0.93 -1.29 119.26 120.13 1sum h ALA 187 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1sum h ALA 187 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1sum h ALA 187 CO -0.02 -0.12 0.42 0.78 0.00 0.00 0.00 179.25 180.31 1sum h GLY 188 N 0.49 0.96 1.03 0.00 0.00 -1.04 -0.97 103.07 103.54 1sum h GLY 188 Ca 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1sum h GLY 188 CO -0.25 0.28 0.34 3.43 0.00 0.00 0.00 176.54 180.34 1sum h ASN 189 N 0.84 1.01 -0.50 0.19 2.35 -0.71 -1.27 115.58 117.48 1sum h ASN 189 Ca 0.27 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1sum h ASN 189 Cb -0.00 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 1sum h ASN 189 CO -0.10 0.88 0.32 0.40 -1.65 0.00 0.00 177.43 177.27 1sum h ILE 190 N 1.07 1.09 -0.79 2.81 1.08 -0.95 0.03 117.51 121.84 1sum h ILE 190 Ca 0.26 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 1sum h ILE 190 Cb 0.15 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 1sum h ILE 190 CO -0.03 0.12 0.44 -0.08 -0.69 0.00 0.00 178.15 177.91 1sum h GLU 191 N 0.64 1.10 -0.43 2.37 4.22 -0.87 -0.53 114.58 121.08 1sum h GLU 191 Ca 0.19 -0.12 -0.14 0.00 0.08 0.00 0.00 59.36 59.37 1sum h GLU 191 Cb -0.03 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1sum h GLU 191 CO -0.07 0.81 -0.28 0.82 -2.18 0.00 0.00 179.01 178.11 1sum h ILE 192 N 1.10 1.27 -0.70 2.32 2.04 -0.97 -2.11 117.51 120.47 1sum h ILE 192 Ca 0.28 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1sum h ILE 192 Cb 0.02 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1sum h ILE 192 CO -0.05 0.49 0.40 0.40 0.00 0.00 0.00 178.15 179.39 1sum h ILE 193 N 0.78 1.21 -0.76 -0.67 2.04 -0.52 -0.54 117.51 119.05 1sum h ILE 193 Ca 0.09 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1sum h ILE 193 Cb 0.85 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1sum h ILE 193 CO 0.08 0.23 0.43 0.00 0.00 0.00 0.00 178.15 178.88 1sum h ALA 194 N 1.20 0.97 -0.75 1.87 0.00 -0.97 -0.76 119.26 120.83 1sum h ALA 194 Ca 0.25 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1sum h ALA 194 Cb 0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 1sum h ALA 194 CO -0.04 0.47 0.45 -0.44 0.00 0.00 0.00 179.25 179.69 1sum h ASP 195 N 1.05 0.70 -0.76 0.00 3.32 -0.70 -1.60 116.42 118.42 1sum h ASP 195 Ca 0.27 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1sum h ASP 195 Cb 0.01 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1sum h ASP 195 CO -0.05 0.45 0.40 1.88 -1.72 0.00 0.00 179.24 180.20 1sum h TYR 196 N 0.83 1.08 -0.44 4.55 0.05 -0.39 -0.91 116.97 121.74 1sum h TYR 196 Ca 0.33 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.08 1sum h TYR 196 Cb 0.15 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 1sum h TYR 196 CO -0.05 0.77 0.29 0.00 -1.05 0.00 0.00 178.16 178.11 1sum h ALA 197 N 1.35 0.56 -0.89 3.88 0.00 -0.43 -0.50 119.26 123.23 1sum h ALA 197 Ca 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1sum h ALA 197 Cb 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1sum h ALA 197 CO -0.04 0.00 0.59 1.79 0.00 0.00 0.00 179.25 181.59 1sum h THR 198 N 0.59 1.19 -0.44 0.00 1.35 -0.93 -2.28 112.91 112.38 1sum h THR 198 Ca 0.16 -0.40 -0.08 0.00 -0.55 0.00 0.00 66.41 65.54 1sum h THR 198 Cb -0.06 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.27 1sum h THR 198 CO -0.04 0.21 -0.07 0.78 -0.25 0.00 0.00 175.52 176.15 1sum h ASN 199 N 1.16 0.75 -0.93 5.36 2.35 -0.39 -0.72 115.58 123.15 1sum h ASN 199 Ca 0.34 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1sum h ASN 199 Cb -0.06 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.07 1sum h ASN 199 CO -0.09 0.86 0.57 0.40 -1.65 0.00 0.00 177.43 177.52 1sum h ILE 200 N 0.71 1.25 -0.35 2.81 2.04 -0.74 0.22 117.51 123.44 1sum h ILE 200 Ca 0.13 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1sum h ILE 200 Cb 0.53 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1sum h ILE 200 CO 0.03 0.26 -0.03 0.58 0.00 0.00 0.00 178.15 178.99 1sum h VAL 201 N 1.28 1.27 -0.47 1.67 2.07 -0.96 -1.29 116.25 119.83 1sum h VAL 201 Ca 0.34 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1sum h VAL 201 Cb -0.07 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1sum h VAL 201 CO -0.06 0.35 0.28 -0.33 0.02 0.00 0.00 177.57 177.83 1sum h GLU 202 N 0.45 0.56 -0.44 1.57 5.08 -0.78 -1.42 114.58 119.59 1sum h GLU 202 Ca 0.10 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1sum h GLU 202 Cb 0.51 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1sum h GLU 202 CO 0.02 0.37 -0.06 0.28 -1.00 0.00 0.00 179.01 178.63 1sum h VAL 203 N 0.57 1.25 -0.35 3.13 2.07 -0.91 -2.07 116.25 119.94 1sum h VAL 203 Ca 0.19 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1sum h VAL 203 Cb 0.00 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1sum h VAL 203 CO -0.08 0.37 -0.07 0.28 0.02 0.00 0.00 177.57 178.09 1sum h SER 204 N 0.70 0.57 -0.23 0.57 0.02 -0.82 -1.74 113.55 112.61 1sum h SER 204 Ca 0.13 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1sum h SER 204 Cb 0.51 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1sum h SER 204 CO 0.03 0.69 -0.06 0.58 -1.14 0.00 0.00 176.83 176.92 1sum h VAL 205 N 0.55 1.29 -0.90 2.27 2.07 -0.95 -2.76 116.25 117.82 1sum h VAL 205 Ca 0.11 -1.06 0.15 0.00 0.82 0.00 0.00 66.70 66.71 1sum h VAL 205 Cb 0.46 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 1sum h VAL 205 CO 0.02 0.33 0.58 0.22 0.02 0.00 0.00 177.57 178.74 1sum h TYR 206 N 0.18 0.81 0.00 1.57 5.03 -1.23 -0.01 116.97 123.32 1sum h TYR 206 Ca 0.06 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1sum h TYR 206 Cb 0.52 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 1sum h TYR 206 CO 0.05 0.28 -0.11 1.98 -1.32 0.00 0.00 178.16 179.04 1sum h MET 207 N 0.67 0.00 0.05 1.82 4.05 -1.01 0.45 114.93 120.96 1sum h MET 207 Ca 0.46 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.50 1sum h MET 207 Cb 0.78 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.53 1sum h MET 207 CO -0.21 0.11 -2.28 1.55 0.23 0.00 0.00 176.91 176.31 1sum n VAL 208 N -4.37 1.60 0.24 -5.77 3.14 -0.96 -4.59 118.33 107.63 1sum n VAL 208 Ca -0.03 -0.62 0.12 0.00 -2.96 0.00 0.00 64.34 60.86 1sum n VAL 208 Cb 0.19 -1.50 0.18 0.00 -1.06 0.00 0.00 33.84 31.65 1sum n VAL 208 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1sum h GLN 209 N 0.03 0.00 -3.06 1.45 1.08 -0.65 -3.47 115.11 110.48 1sum h GLN 209 Ca -0.51 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.55 1sum h GLN 209 Cb 1.97 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.37 1sum h GLN 209 CO -0.01 0.00 -0.15 0.41 -0.95 0.00 0.00 178.83 178.12 1sum n GLY 210 N 1.11 0.05 2.90 3.46 0.00 0.16 -4.94 105.19 107.93 1sum n GLY 210 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1sum n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sum s GLU 211 N -3.86 0.05 0.00 1.61 0.41 -1.26 -5.09 118.70 110.57 1sum s GLU 211 Ca 0.00 0.12 -0.30 0.00 -0.41 0.00 0.00 54.97 54.38 1sum s GLU 211 Cb 0.00 -0.03 -0.04 0.00 -1.78 0.00 0.00 34.13 32.27 1sum s GLU 211 CO 0.00 -0.05 1.21 0.00 -0.49 0.00 0.00 175.26 175.94 1sum s ALA 212 N 0.30 3.45 0.18 5.21 0.00 -1.26 -4.18 121.76 125.45 1sum s ALA 212 Ca -0.02 0.74 0.08 0.00 0.00 0.00 0.00 51.96 52.76 1sum s ALA 212 Cb -0.03 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1sum s ALA 212 CO -0.01 -0.62 -0.06 0.71 0.00 0.00 0.00 175.76 175.78 1sum s TYR 213 N 1.70 2.71 -0.04 0.00 1.51 -1.26 -0.49 117.35 121.47 1sum s TYR 213 Ca 0.58 -0.19 -0.05 0.00 -1.01 0.00 0.00 57.07 56.40 1sum s TYR 213 Cb -0.27 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1sum s TYR 213 CO 0.26 0.51 0.12 0.21 -1.11 0.00 0.00 175.55 175.55 1sum s LYS 214 N -2.86 0.21 0.09 -0.62 2.20 0.10 -4.78 119.74 114.07 1sum s LYS 214 Ca 0.26 0.06 -0.31 0.00 -0.36 0.00 0.00 55.97 55.62 1sum s LYS 214 Cb -0.09 0.09 -0.08 0.00 -1.51 0.00 0.00 37.83 36.24 1sum s LYS 214 CO 0.16 -0.03 1.55 0.00 -0.36 0.00 0.00 175.35 176.67 1sum s TYR 216 N 1.91 3.34 0.00 0.00 1.51 0.20 -4.96 117.35 119.34 1sum s TYR 216 Ca 0.70 -3.02 0.00 0.00 -1.01 0.00 0.00 57.07 53.73 1sum s TYR 216 Cb -0.39 -2.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.67 1sum s TYR 216 CO 0.31 -0.84 0.00 0.72 -1.11 0.00 0.00 175.55 174.63 1sum n HIS 217 N 3.68 0.00 0.63 2.71 8.25 -1.26 -1.10 115.22 128.14 1sum n HIS 217 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 1sum n HIS 217 Cb 0.37 0.00 0.46 0.00 1.12 0.00 0.00 29.99 31.94 1sum n HIS 217 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1sum n ASP 218 N 3.06 0.50 -4.61 0.41 8.00 -1.26 -4.29 116.55 118.37 1sum n ASP 218 Ca 0.00 0.57 -0.35 0.00 0.71 0.00 0.00 54.79 55.72 1sum n ASP 218 Cb 0.00 -0.70 -0.10 0.00 -0.02 0.00 0.00 41.12 40.30 1sum n ASP 218 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1sum s GLU 219 N -3.12 3.93 -0.51 -1.24 2.02 -0.26 -3.92 118.70 115.60 1sum s GLU 219 Ca 0.09 -0.36 -0.23 0.00 0.02 0.00 0.00 54.97 54.49 1sum s GLU 219 Cb 0.13 -3.24 0.04 0.00 0.10 0.00 0.00 34.13 31.15 1sum s GLU 219 CO 0.49 0.19 0.84 -1.17 0.02 0.00 0.00 175.26 175.63 1sum s LEU 220 N 0.59 4.30 0.28 1.80 2.96 -1.26 0.59 118.68 127.94 1sum s LEU 220 Ca 0.03 -0.37 0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1sum s LEU 220 Cb -0.13 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.71 1sum s LEU 220 CO 0.01 -1.07 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.12 1sum s LEU 221 N 3.51 2.91 0.23 -0.68 1.43 -0.48 -4.91 118.68 120.67 1sum s LEU 221 Ca 0.28 -0.84 -0.32 0.00 -1.03 0.00 0.00 54.13 52.21 1sum s LEU 221 Cb -0.14 -1.41 -0.12 0.00 0.03 0.00 0.00 46.19 44.55 1sum s LEU 221 CO 0.19 0.00 1.63 0.18 0.23 0.00 0.00 176.35 178.58 1sum n LEU 222 N -0.78 3.83 -4.50 1.79 4.77 -1.26 -0.72 117.00 120.12 1sum n LEU 222 Ca -0.06 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 1sum n LEU 222 Cb 0.60 -1.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.08 1sum n LEU 222 CO 0.40 0.01 2.00 0.33 -1.33 0.00 0.00 177.39 178.80 1sum n PHE 223 N 3.13 1.28 -3.11 -1.77 7.35 0.35 -4.79 117.46 119.90 1sum n PHE 223 Ca 0.14 0.23 -0.45 0.00 -0.76 0.00 0.00 57.45 56.60 1sum n PHE 223 Cb 0.34 -2.54 -0.02 0.00 0.35 0.00 0.00 39.48 37.61 1sum n PHE 223 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1sum s LYS 224 N 7.74 3.70 0.10 -4.13 -2.85 -1.26 -4.97 119.74 118.06 1sum s LYS 224 Ca 1.12 -2.22 -0.16 0.00 -1.00 0.00 0.00 55.97 53.70 1sum s LYS 224 Cb -0.68 -4.72 0.03 0.00 -2.06 0.00 0.00 37.83 30.40 1sum s LYS 224 CO 0.40 -1.55 0.38 0.21 0.10 0.00 0.00 175.35 174.88 1sum s LYS 225 N 1.32 1.00 0.00 1.78 2.47 -1.26 -5.21 119.74 119.83 1sum s LYS 225 Ca 0.28 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 54.05 1sum s LYS 225 Cb -0.07 0.44 0.00 0.00 -1.46 0.00 0.00 37.83 36.74 1sum s LYS 225 CO -0.08 -0.37 0.22 0.43 0.16 0.00 0.00 175.35 175.71