#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryt s SER 3 N 0.00 6.15 0.06 -5.58 0.15 -1.26 -4.94 113.70 108.28 1ryt s SER 3 Ca 0.00 2.66 0.16 0.00 0.70 0.00 0.00 55.95 59.47 1ryt s SER 3 Cb 0.00 -2.64 -0.14 0.00 -1.71 0.00 0.00 66.02 61.54 1ryt s SER 3 CO 0.00 -0.96 0.86 0.25 1.20 0.00 0.00 173.24 174.59 1ryt h LEU 4 N 2.46 0.00 -9.45 3.45 5.85 -2.02 -3.48 115.31 112.13 1ryt h LEU 4 Ca -0.50 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.63 1ryt h LEU 4 Cb 1.25 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.33 1ryt h LEU 4 CO 0.62 0.64 0.89 0.29 -0.34 0.00 0.00 178.44 180.53 1ryt n LYS 5 N -2.94 2.19 -2.09 1.25 5.02 -1.26 -3.45 118.16 116.87 1ryt n LYS 5 Ca -0.10 0.79 -0.05 0.00 -2.02 0.00 0.00 58.31 56.94 1ryt n LYS 5 Cb 0.86 -2.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.31 1ryt n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ryt n GLY 6 N 3.71 0.26 3.24 0.72 0.00 -1.26 -5.09 105.19 106.76 1ryt n GLY 6 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1ryt n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ryt s SER 7 N -3.16 -0.06 0.34 1.61 1.04 -1.22 -5.04 113.70 107.21 1ryt s SER 7 Ca 0.13 -0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.29 1ryt s SER 7 Cb -0.02 0.35 0.61 0.00 0.10 0.00 0.00 66.02 67.06 1ryt s SER 7 CO 0.23 -0.65 1.85 0.03 0.98 0.00 0.00 173.24 175.69 1ryt h ARG 8 N 3.10 0.43 -0.93 4.02 2.47 -1.97 -2.63 114.38 118.87 1ryt h ARG 8 Ca -0.32 -0.11 0.02 0.00 -1.26 0.00 0.00 59.98 58.31 1ryt h ARG 8 Cb 1.20 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.42 1ryt h ARG 8 CO 0.48 0.53 0.61 1.15 0.56 0.00 0.00 179.97 183.31 1ryt h THR 9 N 0.41 1.21 -0.26 2.04 2.02 -1.92 0.41 112.91 116.81 1ryt h THR 9 Ca 0.08 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1ryt h THR 9 Cb 0.42 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1ryt h THR 9 CO 0.02 0.22 0.16 -0.08 0.37 0.00 0.00 175.52 176.22 1ryt h GLU 10 N 1.23 0.36 -0.27 6.66 4.81 -1.69 0.99 114.58 126.66 1ryt h GLU 10 Ca 0.35 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1ryt h GLU 10 Cb -0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1ryt h GLU 10 CO -0.09 0.27 -0.13 0.87 -0.73 0.00 0.00 179.01 179.20 1ryt h LYS 11 N 0.34 0.46 -0.42 1.92 6.56 -1.37 -2.89 116.57 121.16 1ryt h LYS 11 Ca 0.10 -0.13 -0.11 0.00 -1.06 0.00 0.00 60.65 59.45 1ryt h LYS 11 Cb 0.01 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.60 1ryt h LYS 11 CO -0.02 0.59 -0.18 -0.91 -2.06 0.00 0.00 179.45 176.87 1ryt h ASN 12 N 0.42 0.82 -0.59 0.86 2.35 0.47 -2.15 115.58 117.78 1ryt h ASN 12 Ca 0.08 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.47 1ryt h ASN 12 Cb 0.48 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1ryt h ASN 12 CO 0.03 1.00 0.07 0.40 -1.65 0.00 0.00 177.43 177.28 1ryt h ILE 13 N 0.72 1.26 -0.59 2.81 2.04 -0.70 -0.99 117.51 122.07 1ryt h ILE 13 Ca 0.11 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 1ryt h ILE 13 Cb 0.70 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1ryt h ILE 13 CO 0.05 0.37 0.05 0.25 0.00 0.00 0.00 178.15 178.88 1ryt h LEU 14 N 0.88 0.94 -0.49 1.44 6.46 -1.35 0.11 115.31 123.31 1ryt h LEU 14 Ca 0.18 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1ryt h LEU 14 Cb 0.45 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1ryt h LEU 14 CO 0.02 0.97 0.14 0.74 -0.62 0.00 0.00 178.44 179.69 1ryt h THR 15 N 0.91 1.23 -0.47 1.05 2.02 -1.10 -0.37 112.91 116.18 1ryt h THR 15 Ca 0.18 -0.78 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 1ryt h THR 15 Cb 0.46 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1ryt h THR 15 CO 0.02 0.28 0.08 0.00 0.37 0.00 0.00 175.52 176.27 1ryt h ALA 16 N 1.00 0.63 -0.84 6.16 0.00 -0.91 -1.31 119.26 123.99 1ryt h ALA 16 Ca 0.16 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ryt h ALA 16 Cb 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1ryt h ALA 16 CO -0.00 0.35 0.55 0.35 0.00 0.00 0.00 179.25 180.50 1ryt h PHE 17 N 0.65 1.03 -0.36 0.00 3.57 -0.49 0.14 116.94 121.48 1ryt h PHE 17 Ca 0.14 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1ryt h PHE 17 Cb 0.38 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1ryt h PHE 17 CO 0.03 0.61 -0.17 0.00 -2.23 0.00 0.00 178.31 176.55 1ryt h ALA 18 N 1.33 0.51 -0.31 2.41 0.00 -0.74 0.65 119.26 123.11 1ryt h ALA 18 Ca 0.32 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1ryt h ALA 18 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ryt h ALA 18 CO -0.10 0.44 -0.20 0.78 0.00 0.00 0.00 179.25 180.18 1ryt h GLY 19 N 0.55 0.75 1.60 0.00 0.00 -0.96 -2.02 103.07 102.99 1ryt h GLY 19 Ca 0.08 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1ryt h GLY 19 CO 0.05 0.64 0.03 0.83 0.00 0.00 0.00 176.54 178.09 1ryt h GLU 20 N 0.45 0.51 -0.45 4.80 4.39 -0.60 -0.44 114.58 123.23 1ryt h GLU 20 Ca 0.06 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1ryt h GLU 20 Cb 0.74 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1ryt h GLU 20 CO 0.06 0.51 0.08 0.77 -1.16 0.00 0.00 179.01 179.27 1ryt h SER 21 N 0.49 0.71 0.12 1.42 0.02 -0.72 -1.48 113.55 114.10 1ryt h SER 21 Ca 0.11 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 1ryt h SER 21 Cb 0.28 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1ryt h SER 21 CO 0.00 0.78 -0.44 1.56 -1.14 0.00 0.00 176.83 177.59 1ryt h GLN 22 N 0.61 0.40 -0.76 3.45 4.20 -0.95 -3.10 115.11 118.95 1ryt h GLN 22 Ca 0.14 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1ryt h GLN 22 Cb 0.37 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1ryt h GLN 22 CO 0.01 0.77 0.28 0.00 -0.67 0.00 0.00 178.83 179.22 1ryt h ALA 23 N 1.20 1.05 -0.97 3.87 0.00 -0.67 -0.36 119.26 123.39 1ryt h ALA 23 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ryt h ALA 23 Cb 0.91 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1ryt h ALA 23 CO 0.08 0.66 0.64 -0.09 0.00 0.00 0.00 179.25 180.53 1ryt h ARG 24 N 1.12 1.24 0.01 0.00 2.43 -1.21 0.10 114.38 118.06 1ryt h ARG 24 Ca 0.25 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1ryt h ARG 24 Cb 0.25 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1ryt h ARG 24 CO -0.02 0.82 -0.00 -0.91 -1.51 0.00 0.00 179.97 178.35 1ryt h ASN 25 N 1.27 -0.01 -0.50 -3.80 -0.26 -1.43 -2.44 115.58 108.42 1ryt h ASN 25 Ca 0.37 -0.54 0.09 0.00 -0.56 0.00 0.00 56.30 55.66 1ryt h ASN 25 Cb -0.08 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.10 1ryt h ASN 25 CO -0.10 0.54 0.05 0.03 -1.06 0.00 0.00 177.43 176.90 1ryt h ARG 26 N -0.56 0.17 -0.53 0.81 3.08 -0.75 -0.91 114.38 115.69 1ryt h ARG 26 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1ryt h ARG 26 Cb 0.55 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1ryt h ARG 26 CO 0.00 0.11 0.22 1.88 -1.07 0.00 0.00 179.97 181.11 1ryt h TYR 27 N 0.18 0.76 -0.44 3.04 0.05 -0.82 0.14 116.97 119.88 1ryt h TYR 27 Ca 0.25 -0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.87 1ryt h TYR 27 Cb 0.37 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1ryt h TYR 27 CO -0.27 0.59 -0.24 -0.91 -1.05 0.00 0.00 178.16 176.28 1ryt h ASN 28 N 0.76 0.93 -0.32 3.88 -0.26 -0.82 0.19 115.58 119.93 1ryt h ASN 28 Ca 0.18 -0.36 -0.07 0.00 -0.56 0.00 0.00 56.30 55.49 1ryt h ASN 28 Cb 0.14 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1ryt h ASN 28 CO -0.02 1.13 -0.07 1.88 -1.06 0.00 0.00 177.43 179.29 1ryt h TYR 29 N 0.78 0.69 -0.54 1.19 0.05 -0.64 -2.03 116.97 116.46 1ryt h TYR 29 Ca 0.10 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1ryt h TYR 29 Cb 0.80 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 1ryt h TYR 29 CO 0.05 0.79 0.26 0.74 -1.05 0.00 0.00 178.16 178.95 1ryt h PHE 30 N 0.40 0.75 -0.77 4.88 0.04 -0.54 -0.53 116.94 121.16 1ryt h PHE 30 Ca 0.08 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1ryt h PHE 30 Cb 0.57 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 1ryt h PHE 30 CO 0.05 0.55 0.44 0.78 -0.60 0.00 0.00 178.31 179.53 1ryt h GLY 31 N 0.86 1.14 1.01 -1.45 0.00 -0.28 -1.10 103.07 103.25 1ryt h GLY 31 Ca 0.19 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1ryt h GLY 31 CO -0.03 0.48 0.38 -1.33 0.00 0.00 0.00 176.54 176.04 1ryt h GLY 32 N 1.06 0.80 1.36 4.60 0.00 -0.39 -1.84 103.07 108.66 1ryt h GLY 32 Ca 0.27 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 1ryt h GLY 32 CO -0.05 0.29 -0.13 -1.61 0.00 0.00 0.00 176.54 175.04 1ryt h GLN 33 N 0.77 0.75 -0.67 4.80 5.75 -1.12 -2.18 115.11 123.20 1ryt h GLN 33 Ca 0.21 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1ryt h GLN 33 Cb -0.09 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1ryt h GLN 33 CO -0.04 0.85 0.35 0.00 -2.65 0.00 0.00 178.83 177.33 1ryt h ALA 34 N 1.18 0.87 -0.71 3.38 0.00 -0.86 0.60 119.26 123.70 1ryt h ALA 34 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ryt h ALA 34 Cb 0.61 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ryt h ALA 34 CO 0.04 0.40 0.33 -0.22 0.00 0.00 0.00 179.25 179.80 1ryt h LYS 35 N 0.93 1.04 0.00 0.00 1.63 -1.15 -1.44 116.57 117.57 1ryt h LYS 35 Ca 0.23 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1ryt h LYS 35 Cb 0.07 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1ryt h LYS 35 CO -0.03 0.82 0.00 1.63 -3.45 0.00 0.00 179.45 178.42 1ryt n LYS 36 N -4.41 0.22 0.00 1.90 5.02 -0.74 -2.67 118.16 117.48 1ryt n LYS 36 Ca 0.06 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.78 1ryt n LYS 36 Cb 0.14 -1.82 0.30 0.00 -0.02 0.00 0.00 35.03 33.63 1ryt n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ryt n ASP 37 N -2.21 0.99 0.00 4.39 8.00 0.13 -4.96 116.55 122.88 1ryt n ASP 37 Ca 0.04 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1ryt n ASP 37 Cb 0.33 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1ryt n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ryt n GLY 38 N 1.39 0.96 2.85 0.44 0.00 -1.02 -5.04 105.19 104.76 1ryt n GLY 38 Ca 0.10 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1ryt n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ryt s PHE 39 N -2.00 3.28 0.18 1.61 0.08 -0.63 -4.41 117.98 116.09 1ryt s PHE 39 Ca 0.00 -3.22 -0.09 0.00 0.12 0.00 0.00 56.93 53.74 1ryt s PHE 39 Cb 0.00 -2.52 0.06 0.00 -0.57 0.00 0.00 43.02 39.99 1ryt s PHE 39 CO 0.00 -0.59 1.60 0.28 -0.10 0.00 0.00 175.22 176.41 1ryt h VAL 40 N 4.48 1.27 -0.30 -0.44 2.07 -1.73 0.07 116.25 121.66 1ryt h VAL 40 Ca 0.15 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1ryt h VAL 40 Cb 0.78 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1ryt h VAL 40 CO 0.68 0.45 0.10 -0.61 0.02 0.00 0.00 177.57 178.21 1ryt h GLN 41 N 0.90 0.46 -0.65 1.57 4.15 -1.87 -1.39 115.11 118.28 1ryt h GLN 41 Ca 0.14 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1ryt h GLN 41 Cb 0.69 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 1ryt h GLN 41 CO 0.05 0.50 0.29 0.82 -1.93 0.00 0.00 178.83 178.56 1ryt h ILE 42 N 0.33 1.22 -0.21 2.39 2.04 -1.93 -2.09 117.51 119.26 1ryt h ILE 42 Ca 0.10 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1ryt h ILE 42 Cb 0.23 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1ryt h ILE 42 CO -0.00 0.26 0.11 -1.28 0.00 0.00 0.00 178.15 177.24 1ryt h SER 43 N 0.92 0.17 0.41 1.72 0.87 -0.45 -2.37 113.55 114.82 1ryt h SER 43 Ca 0.22 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 1ryt h SER 43 Cb 0.13 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1ryt h SER 43 CO -0.03 0.13 -0.31 0.44 -0.53 0.00 0.00 176.83 176.53 1ryt h ASP 44 N 0.23 0.00 -0.42 6.23 5.19 -0.96 -2.20 116.42 124.50 1ryt h ASP 44 Ca 0.08 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.39 1ryt h ASP 44 Cb 0.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1ryt h ASP 44 CO -0.05 0.31 -0.15 0.40 -3.12 0.00 0.00 179.24 176.64 1ryt h ILE 45 N 0.00 1.28 -0.39 0.35 5.03 -0.92 0.99 117.51 123.85 1ryt h ILE 45 Ca -0.00 -1.27 -0.00 0.00 -0.12 0.00 0.00 64.86 63.47 1ryt h ILE 45 Cb 0.60 1.22 -0.02 0.00 -3.03 0.00 0.00 36.82 35.60 1ryt h ILE 45 CO 0.04 0.43 0.24 -0.26 -0.68 0.00 0.00 178.15 177.92 1ryt h PHE 46 N 0.65 0.51 -0.63 1.37 0.04 -1.14 0.20 116.94 117.95 1ryt h PHE 46 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1ryt h PHE 46 Cb 0.69 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1ryt h PHE 46 CO 0.05 0.36 0.36 0.00 -0.60 0.00 0.00 178.31 178.48 1ryt h ALA 47 N 1.11 0.80 -0.48 2.45 0.00 -1.13 0.14 119.26 122.15 1ryt h ALA 47 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ryt h ALA 47 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ryt h ALA 47 CO -0.03 0.30 0.16 1.49 0.00 0.00 0.00 179.25 181.16 1ryt h GLU 48 N 0.85 0.74 -0.72 0.00 4.81 -0.23 -1.77 114.58 118.26 1ryt h GLU 48 Ca 0.22 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1ryt h GLU 48 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1ryt h GLU 48 CO -0.04 0.70 0.29 1.15 -0.73 0.00 0.00 179.01 180.38 1ryt h THR 49 N 0.64 1.24 -0.63 0.32 2.02 -0.25 -0.05 112.91 116.20 1ryt h THR 49 Ca 0.16 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.61 1ryt h THR 49 Cb 0.26 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 1ryt h THR 49 CO -0.01 0.31 0.37 0.00 0.37 0.00 0.00 175.52 176.56 1ryt h ALA 50 N 1.27 0.83 -0.52 6.16 0.00 -0.24 -0.38 119.26 126.38 1ryt h ALA 50 Ca 0.24 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ryt h ALA 50 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ryt h ALA 50 CO -0.02 0.08 0.07 -0.44 0.00 0.00 0.00 179.25 178.94 1ryt h ASP 51 N 0.71 0.78 -0.08 0.00 3.32 -0.53 -1.68 116.42 118.95 1ryt h ASP 51 Ca 0.27 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 1ryt h ASP 51 Cb 0.10 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1ryt h ASP 51 CO -0.14 0.81 -0.54 1.56 -1.72 0.00 0.00 179.24 179.21 1ryt h GLN 52 N 0.79 0.66 -0.10 3.56 4.20 -0.36 -2.66 115.11 121.20 1ryt h GLN 52 Ca 0.16 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.41 1ryt h GLN 52 Cb 0.37 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1ryt h GLN 52 CO 0.01 1.03 -0.19 0.93 -0.67 0.00 0.00 178.83 179.94 1ryt h GLU 53 N 0.51 0.16 -0.77 1.46 4.39 -0.60 -1.02 114.58 118.71 1ryt h GLU 53 Ca 0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1ryt h GLU 53 Cb 1.10 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 1ryt h GLU 53 CO 0.11 0.35 0.44 -0.09 -1.16 0.00 0.00 179.01 178.67 1ryt h ARG 54 N 0.15 1.05 -0.00 2.33 2.43 -1.01 0.11 114.38 119.45 1ryt h ARG 54 Ca 0.03 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 58.93 1ryt h ARG 54 Cb 0.43 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1ryt h ARG 54 CO 0.03 0.75 -0.80 0.93 -1.51 0.00 0.00 179.97 179.38 1ryt h GLU 55 N 1.07 0.01 -0.23 0.20 4.39 -0.90 -0.77 114.58 118.35 1ryt h GLU 55 Ca 0.28 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 1ryt h GLU 55 Cb -0.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ryt h GLU 55 CO -0.05 0.80 -0.24 0.45 -1.16 0.00 0.00 179.01 178.81 1ryt h HIS 56 N 0.01 0.69 -0.70 4.33 3.86 -0.84 -2.74 115.15 119.76 1ryt h HIS 56 Ca -0.01 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1ryt h HIS 56 Cb 1.41 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.70 1ryt h HIS 56 CO 0.00 0.91 0.44 0.00 0.86 0.00 0.00 177.93 180.15 1ryt h ALA 57 N 0.67 1.47 -0.49 2.45 0.00 -0.65 -2.70 119.26 120.00 1ryt h ALA 57 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1ryt h ALA 57 Cb 0.80 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ryt h ALA 57 CO 0.06 0.48 -0.16 -0.22 0.00 0.00 0.00 179.25 179.40 1ryt h LYS 58 N 0.95 0.98 -0.48 0.00 3.64 -1.03 -0.83 116.57 119.80 1ryt h LYS 58 Ca 0.25 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1ryt h LYS 58 Cb -0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1ryt h LYS 58 CO -0.05 1.07 0.18 -0.09 -2.27 0.00 0.00 179.45 178.29 1ryt h ARG 59 N 0.84 0.73 -0.14 1.90 9.65 -1.29 -1.77 114.38 124.29 1ryt h ARG 59 Ca 0.12 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1ryt h ARG 59 Cb 0.74 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1ryt h ARG 59 CO 0.06 0.66 0.03 -0.07 2.80 0.00 0.00 179.97 183.45 1ryt h LEU 60 N 0.64 0.22 -0.95 3.80 3.38 -1.41 -3.12 115.31 117.87 1ryt h LEU 60 Ca 0.16 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1ryt h LEU 60 Cb 0.21 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1ryt h LEU 60 CO -0.01 0.41 0.59 0.15 0.09 0.00 0.00 178.44 179.67 1ryt h PHE 61 N 0.02 1.08 0.00 1.13 3.57 -1.08 -0.60 116.94 121.07 1ryt h PHE 61 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ryt h PHE 61 Cb 0.28 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1ryt h PHE 61 CO 0.01 0.48 0.00 1.63 -2.23 0.00 0.00 178.31 178.20 1ryt n LYS 62 N -4.62 0.08 0.01 1.11 5.02 -0.67 -1.64 118.16 117.45 1ryt n LYS 62 Ca 0.16 0.53 -0.08 0.00 -2.02 0.00 0.00 58.31 56.90 1ryt n LYS 62 Cb 0.28 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.41 1ryt n LYS 62 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1ryt h PHE 63 N 0.00 0.01 -3.76 2.13 0.04 -1.18 -3.47 116.94 110.71 1ryt h PHE 63 Ca 0.00 -0.01 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 1ryt h PHE 63 Cb 0.07 -0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.31 1ryt h PHE 63 CO 0.00 1.01 0.80 -0.51 -0.60 0.00 0.00 178.31 179.01 1ryt s LEU 64 N -6.37 4.33 0.00 1.54 1.43 -0.65 -4.95 118.68 114.00 1ryt s LEU 64 Ca -0.02 3.00 0.00 0.00 -1.03 0.00 0.00 54.13 56.08 1ryt s LEU 64 Cb 0.09 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1ryt s LEU 64 CO 0.82 -0.86 0.19 -1.84 0.23 0.00 0.00 176.35 174.89 1ryt n GLU 65 N 0.99 0.87 0.00 1.70 0.28 -1.26 -5.07 120.64 118.15 1ryt n GLU 65 Ca 0.03 -0.19 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1ryt n GLU 65 Cb 0.39 -0.62 0.00 0.00 1.43 0.00 0.00 31.44 32.64 1ryt n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ryt n GLY 66 N 0.18 5.54 0.00 -1.84 0.00 -1.26 -5.12 105.19 102.68 1ryt n GLY 66 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1ryt n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ryt n GLY 67 N 5.00 0.60 3.83 -0.02 0.00 -1.26 -5.05 105.19 108.29 1ryt n GLY 67 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ryt n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ryt s ASP 68 N -1.00 6.96 -0.10 1.61 1.11 -1.26 -5.08 116.67 118.91 1ryt s ASP 68 Ca 0.00 1.31 -0.04 0.00 0.18 0.00 0.00 52.55 54.00 1ryt s ASP 68 Cb 0.00 -2.38 0.05 0.00 1.07 0.00 0.00 42.92 41.66 1ryt s ASP 68 CO 0.00 0.02 0.21 -0.22 1.18 0.00 0.00 175.17 176.35 1ryt s LEU 69 N -2.12 0.10 0.22 1.23 2.96 -1.26 -5.14 118.68 114.67 1ryt s LEU 69 Ca 0.43 0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 54.49 1ryt s LEU 69 Cb -0.15 0.52 -0.09 0.00 0.50 0.00 0.00 46.19 46.97 1ryt s LEU 69 CO 0.20 -0.21 0.96 -0.70 -1.32 0.00 0.00 176.35 175.28 1ryt s GLU 70 N 1.92 4.81 0.04 1.98 2.12 -1.26 -5.07 118.70 123.25 1ryt s GLU 70 Ca -0.02 1.52 0.06 0.00 0.36 0.00 0.00 54.97 56.88 1ryt s GLU 70 Cb -0.12 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1ryt s GLU 70 CO -0.07 0.44 -0.16 0.42 -0.54 0.00 0.00 175.26 175.34 1ryt s ILE 71 N -0.99 1.29 -0.14 -3.70 1.01 -1.26 -5.05 121.20 112.36 1ryt s ILE 71 Ca 0.42 -1.09 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1ryt s ILE 71 Cb -0.26 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.08 1ryt s ILE 71 CO 0.33 0.05 -0.09 -0.69 0.00 0.00 0.00 174.94 174.54 1ryt s VAL 72 N -0.87 1.21 -0.11 2.92 1.01 -1.26 -5.12 120.40 118.19 1ryt s VAL 72 Ca 0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1ryt s VAL 72 Cb -0.08 -1.25 0.11 0.00 0.00 0.00 0.00 36.38 35.15 1ryt s VAL 72 CO 0.02 0.31 0.88 0.00 0.00 0.00 0.00 175.10 176.31 1ryt s ALA 73 N 1.62 -1.87 -0.18 5.51 0.00 -1.26 -5.11 121.76 120.47 1ryt s ALA 73 Ca 0.03 1.44 -0.09 0.00 0.00 0.00 0.00 51.96 53.34 1ryt s ALA 73 Cb -0.14 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1ryt s ALA 73 CO -0.09 -0.37 0.11 0.00 0.00 0.00 0.00 175.76 175.42 1ryt s ALA 74 N -1.34 3.63 0.12 0.00 0.00 -1.26 -5.09 121.76 117.82 1ryt s ALA 74 Ca -0.04 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1ryt s ALA 74 Cb -0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1ryt s ALA 74 CO 0.03 0.24 -0.15 -0.06 0.00 0.00 0.00 175.76 175.82 1ryt s PHE 75 N 0.14 1.45 -0.11 0.00 0.08 -1.26 -5.09 117.98 113.19 1ryt s PHE 75 Ca 0.08 -0.54 -0.29 0.00 0.12 0.00 0.00 56.93 56.29 1ryt s PHE 75 Cb -0.11 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1ryt s PHE 75 CO -0.01 0.16 1.68 -1.25 -0.10 0.00 0.00 175.22 175.71 1ryt s PRO 76 N -2.64 4.00 -1.14 0.24 0.04 -1.26 -4.87 135.00 129.37 1ryt s PRO 76 Ca 0.09 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.97 1ryt s PRO 76 Cb -0.05 -4.03 -0.05 0.00 0.04 0.00 0.00 34.50 30.41 1ryt s PRO 76 CO 0.03 -1.06 1.98 0.00 0.04 0.00 0.00 177.00 178.00 1ryt n ALA 77 N 7.81 3.72 -0.18 8.56 0.00 -1.26 -4.91 120.51 134.25 1ryt n ALA 77 Ca 0.18 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1ryt n ALA 77 Cb 0.44 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.31 1ryt n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ryt n GLY 78 N 4.80 -0.91 0.91 0.00 0.00 -1.26 -5.09 105.19 103.63 1ryt n GLY 78 Ca 0.49 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ryt n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ryt n ILE 79 N 0.00 -1.82 -3.72 -0.61 2.08 -1.26 -5.07 119.36 108.96 1ryt n ILE 79 Ca 0.00 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.94 1ryt n ILE 79 Cb 0.00 -2.47 -0.12 0.00 -0.75 0.00 0.00 39.64 36.30 1ryt n ILE 79 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1ryt s ILE 80 N 0.00 4.27 0.00 1.39 1.01 -1.26 -5.01 121.20 121.60 1ryt s ILE 80 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1ryt s ILE 80 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1ryt s ILE 80 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 174.94 175.09 1ryt n ALA 81 N 4.92 0.00 -1.50 9.38 0.00 -1.26 -5.11 120.51 126.94 1ryt n ALA 81 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 1ryt n ALA 81 Cb 0.49 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 1ryt n ALA 81 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ryt s ASP 82 N 1.00 5.19 0.23 0.00 -4.77 -1.26 -4.80 116.67 112.25 1ryt s ASP 82 Ca 0.00 1.80 -0.07 0.00 -3.30 0.00 0.00 52.55 50.99 1ryt s ASP 82 Cb 0.00 -2.52 0.37 0.00 -1.09 0.00 0.00 42.92 39.67 1ryt s ASP 82 CO 0.00 -1.57 1.75 0.74 0.70 0.00 0.00 175.17 176.78 1ryt h THR 83 N -0.38 0.74 -0.59 2.11 2.02 -1.95 -1.63 112.91 113.23 1ryt h THR 83 Ca -0.45 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 66.61 1ryt h THR 83 Cb 1.23 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1ryt h THR 83 CO 0.55 0.09 0.33 -0.74 0.37 0.00 0.00 175.52 176.11 1ryt h HIS 84 N 0.47 0.61 -0.46 3.16 -0.00 -1.95 -0.42 115.15 116.56 1ryt h HIS 84 Ca 0.36 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.65 1ryt h HIS 84 Cb 0.48 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1ryt h HIS 84 CO -0.15 0.31 -0.12 0.00 -0.00 0.00 0.00 177.93 177.96 1ryt h ALA 85 N 1.30 0.91 -0.54 5.26 0.00 -1.83 -2.11 119.26 122.26 1ryt h ALA 85 Ca 0.26 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ryt h ALA 85 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ryt h ALA 85 CO -0.15 0.63 0.14 -0.91 0.00 0.00 0.00 179.25 178.96 1ryt h ASN 86 N 0.77 0.76 -0.15 0.00 2.35 -0.56 -1.05 115.58 117.70 1ryt h ASN 86 Ca 0.12 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1ryt h ASN 86 Cb 0.63 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1ryt h ASN 86 CO 0.04 0.74 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.17 1ryt h LEU 87 N 0.79 0.67 -0.41 1.61 3.38 -0.81 -1.31 115.31 119.24 1ryt h LEU 87 Ca 0.18 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1ryt h LEU 87 Cb 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ryt h LEU 87 CO -0.00 0.95 -0.44 0.40 0.09 0.00 0.00 178.44 179.44 1ryt h ILE 88 N 0.55 1.28 -0.23 1.22 1.08 -1.00 -2.10 117.51 118.30 1ryt h ILE 88 Ca 0.06 -1.62 -0.16 0.00 -0.39 0.00 0.00 64.86 62.75 1ryt h ILE 88 Cb 0.82 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 1ryt h ILE 88 CO 0.07 0.53 -0.51 0.00 -0.69 0.00 0.00 178.15 177.55 1ryt h ALA 89 N 0.80 0.66 0.04 1.87 0.00 -1.12 -2.72 119.26 118.80 1ryt h ALA 89 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ryt h ALA 89 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ryt h ALA 89 CO 0.10 0.68 -0.02 0.77 0.00 0.00 0.00 179.25 180.78 1ryt h SER 90 N 0.52 -0.05 -0.77 0.00 0.02 -1.16 -1.79 113.55 110.32 1ryt h SER 90 Ca 0.02 -0.27 0.11 0.00 -0.84 0.00 0.00 61.79 60.81 1ryt h SER 90 Cb 1.07 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.54 1ryt h SER 90 CO 0.10 0.24 0.39 0.00 -1.14 0.00 0.00 176.83 176.43 1ryt h ALA 91 N 0.59 1.10 -0.79 3.77 0.00 -1.43 0.93 119.26 123.43 1ryt h ALA 91 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ryt h ALA 91 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ryt h ALA 91 CO 0.01 -0.04 0.47 0.00 0.00 0.00 0.00 179.25 179.69 1ryt h ALA 92 N 1.48 1.01 -0.36 0.00 0.00 -1.30 0.69 119.26 120.77 1ryt h ALA 92 Ca 0.39 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1ryt h ALA 92 Cb 0.46 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ryt h ALA 92 CO -0.30 0.49 -0.15 0.78 0.00 0.00 0.00 179.25 180.06 1ryt h GLY 93 N 1.09 0.80 1.02 0.00 0.00 -0.22 -1.94 103.07 103.82 1ryt h GLY 93 Ca 0.28 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1ryt h GLY 93 CO -0.05 0.64 0.52 0.83 0.00 0.00 0.00 176.54 178.48 1ryt h GLU 94 N 0.53 1.21 -0.30 4.80 4.39 -0.30 -2.30 114.58 122.61 1ryt h GLU 94 Ca 0.08 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1ryt h GLU 94 Cb 0.68 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1ryt h GLU 94 CO 0.05 0.86 0.16 1.25 -1.16 0.00 0.00 179.01 180.17 1ryt h HIS 95 N 1.22 0.29 -0.18 4.33 2.76 0.72 -2.00 115.15 122.29 1ryt h HIS 95 Ca 0.31 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.44 1ryt h HIS 95 Cb -0.02 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 1ryt h HIS 95 CO 0.00 0.16 -0.15 1.25 -1.30 0.00 0.00 177.93 177.90 1ryt h HIS 96 N 0.32 0.31 -0.12 5.26 -0.00 -0.99 -1.58 115.15 118.35 1ryt h HIS 96 Ca 0.13 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1ryt h HIS 96 Cb 0.03 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1ryt h HIS 96 CO -0.09 0.44 -0.00 0.93 -0.00 0.00 0.00 177.93 179.20 1ryt h GLU 97 N 0.28 0.22 0.00 5.26 5.08 -0.82 -0.44 114.58 124.15 1ryt h GLU 97 Ca 0.05 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1ryt h GLU 97 Cb 0.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ryt h GLU 97 CO 0.03 0.47 -0.77 0.10 -1.00 0.00 0.00 179.01 177.83 1ryt h TYR 98 N -0.06 0.00 0.10 4.33 -0.00 -1.43 0.88 116.97 120.79 1ryt h TYR 98 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.42 1ryt h TYR 98 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.08 1ryt h TYR 98 CO 0.04 0.51 -1.92 0.25 -0.00 0.00 0.00 178.16 177.04 1ryt n THR 99 N -3.12 1.75 -0.01 -0.90 -2.24 -0.60 -4.46 114.28 104.71 1ryt n THR 99 Ca -0.01 -0.69 -0.04 0.00 -2.27 0.00 0.00 64.05 61.03 1ryt n THR 99 Cb 0.76 -1.58 -0.01 0.00 -2.10 0.00 0.00 70.33 67.40 1ryt n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ryt n GLU 100 N -3.39 0.20 0.12 -0.78 1.02 -0.33 -4.69 120.64 112.80 1ryt n GLU 100 Ca -0.28 0.08 -0.05 0.00 -0.02 0.00 0.00 57.16 56.89 1ryt n GLU 100 Cb 1.05 -0.86 -0.03 0.00 -0.02 0.00 0.00 31.44 31.59 1ryt n GLU 100 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1ryt h MET 101 N -0.38 -0.31 -0.66 3.49 4.05 -1.10 -2.90 114.93 117.13 1ryt h MET 101 Ca -0.03 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.49 1ryt h MET 101 Cb 0.48 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.29 1ryt h MET 101 CO -0.02 -0.21 0.32 1.88 0.23 0.00 0.00 176.91 179.11 1ryt h TYR 102 N -0.32 0.57 -0.54 1.39 0.05 -1.08 -1.00 116.97 116.04 1ryt h TYR 102 Ca -0.03 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1ryt h TYR 102 Cb 0.26 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 1ryt h TYR 102 CO 0.05 0.22 0.29 -1.35 -1.05 0.00 0.00 178.16 176.32 1ryt h PRO 103 N 0.57 0.54 -0.20 4.88 0.11 -1.77 0.65 132.00 136.77 1ryt h PRO 103 Ca 0.31 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1ryt h PRO 103 Cb 0.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1ryt h PRO 103 CO -0.25 0.36 0.08 0.77 -0.21 0.00 0.00 178.00 178.75 1ryt h SER 104 N 0.55 0.28 -0.11 -2.05 0.02 -1.25 -0.98 113.55 110.01 1ryt h SER 104 Ca 0.24 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1ryt h SER 104 Cb 0.12 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1ryt h SER 104 CO -0.15 0.37 -0.11 -0.26 -1.14 0.00 0.00 176.83 175.54 1ryt h PHE 105 N 0.17 0.47 -0.16 3.45 0.04 -0.86 -1.92 116.94 118.14 1ryt h PHE 105 Ca 0.07 -0.06 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1ryt h PHE 105 Cb 0.18 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1ryt h PHE 105 CO -0.01 0.54 -0.50 0.00 -0.60 0.00 0.00 178.31 177.74 1ryt h ALA 106 N 1.48 0.85 -0.33 2.45 0.00 -0.61 -1.87 119.26 121.23 1ryt h ALA 106 Ca 0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1ryt h ALA 106 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ryt h ALA 106 CO 0.02 0.67 -0.16 -0.09 0.00 0.00 0.00 179.25 179.70 1ryt h ARG 107 N 0.34 0.68 -0.40 0.00 2.43 -0.76 -2.87 114.38 113.80 1ryt h ARG 107 Ca 0.01 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 58.78 1ryt h ARG 107 Cb 1.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1ryt h ARG 107 CO 0.09 0.89 -0.15 0.82 -1.51 0.00 0.00 179.97 180.11 1ryt h ILE 108 N 0.45 1.28 -0.28 1.20 2.04 -1.30 -2.51 117.51 118.39 1ryt h ILE 108 Ca 0.07 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.69 1ryt h ILE 108 Cb 0.69 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1ryt h ILE 108 CO 0.05 0.43 0.19 0.00 0.00 0.00 0.00 178.15 178.81 1ryt h ALA 109 N 0.83 1.92 0.07 1.87 0.00 -1.33 -1.31 119.26 121.30 1ryt h ALA 109 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ryt h ALA 109 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ryt h ALA 109 CO 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 1ryt h ARG 110 N 0.28 -0.09 -0.80 0.00 3.08 -1.27 0.38 114.38 115.96 1ryt h ARG 110 Ca 0.12 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.37 1ryt h ARG 110 Cb 0.12 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1ryt h ARG 110 CO -0.02 0.41 0.55 0.93 -1.07 0.00 0.00 179.97 180.77 1ryt h GLU 111 N -0.64 0.19 -0.28 0.04 5.08 -1.00 -0.14 114.58 117.84 1ryt h GLU 111 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ryt h GLU 111 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ryt h GLU 111 CO 0.02 0.13 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 1ryt n GLU 112 N -4.40 1.88 -1.31 2.33 1.02 -0.54 -4.94 120.64 114.67 1ryt n GLU 112 Ca 0.16 -1.34 -0.01 0.00 -0.02 0.00 0.00 57.16 55.94 1ryt n GLU 112 Cb 0.73 -1.37 -0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1ryt n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ryt n GLY 113 N 1.17 0.44 2.65 0.62 0.00 -0.06 -4.99 105.19 105.02 1ryt n GLY 113 Ca 0.15 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1ryt n GLY 113 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ryt n TYR 114 N -3.24 3.44 -0.17 1.61 4.01 0.13 -4.59 117.16 118.35 1ryt n TYR 114 Ca -0.02 -3.91 -0.09 0.00 -0.16 0.00 0.00 57.90 53.72 1ryt n TYR 114 Cb 0.17 -0.74 0.01 0.00 -0.31 0.00 0.00 39.34 38.47 1ryt n TYR 114 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1ryt h GLU 115 N 4.72 0.81 -0.65 -0.72 4.22 -1.89 -2.08 114.58 119.00 1ryt h GLU 115 Ca 0.19 -0.21 0.04 0.00 0.08 0.00 0.00 59.36 59.46 1ryt h GLU 115 Cb 0.68 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1ryt h GLU 115 CO 0.91 0.80 0.43 1.49 -2.18 0.00 0.00 179.01 180.45 1ryt h GLU 116 N 0.69 0.71 0.02 1.92 4.57 -1.95 0.38 114.58 120.93 1ryt h GLU 116 Ca 0.15 -0.04 -0.21 0.00 -1.18 0.00 0.00 59.36 58.08 1ryt h GLU 116 Cb 0.37 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1ryt h GLU 116 CO 0.01 0.47 -0.95 0.82 -1.18 0.00 0.00 179.01 178.18 1ryt h ILE 117 N 0.74 1.51 -0.03 2.32 2.04 -1.91 -2.08 117.51 120.10 1ryt h ILE 117 Ca 0.26 -2.76 -0.10 0.00 1.00 0.00 0.00 64.86 63.26 1ryt h ILE 117 Cb 0.13 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1ryt h ILE 117 CO -0.08 0.80 -0.47 0.00 0.00 0.00 0.00 178.15 178.40 1ryt h ALA 118 N 0.90 1.17 -0.42 1.87 0.00 -0.40 -0.24 119.26 122.13 1ryt h ALA 118 Ca -0.06 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1ryt h ALA 118 Cb 1.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1ryt h ALA 118 CO 0.15 0.61 -0.20 -0.09 0.00 0.00 0.00 179.25 179.71 1ryt h ARG 119 N 0.05 0.88 -0.24 0.00 1.12 -0.11 -1.45 114.38 114.64 1ryt h ARG 119 Ca -0.00 -0.39 -0.12 0.00 -1.11 0.00 0.00 59.98 58.36 1ryt h ARG 119 Cb 0.86 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.79 1ryt h ARG 119 CO 0.06 1.03 -0.34 0.28 -3.11 0.00 0.00 179.97 177.90 1ryt h VAL 120 N 0.71 1.31 -0.68 0.20 2.07 -1.04 -2.03 116.25 116.78 1ryt h VAL 120 Ca 0.09 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 1ryt h VAL 120 Cb 0.77 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1ryt h VAL 120 CO 0.06 0.48 0.26 -0.26 0.02 0.00 0.00 177.57 178.13 1ryt h PHE 121 N 0.37 1.03 -0.05 1.57 0.04 -0.98 -1.26 116.94 117.67 1ryt h PHE 121 Ca 0.03 -0.07 -0.17 0.00 2.80 0.00 0.00 57.97 60.56 1ryt h PHE 121 Cb 0.92 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1ryt h PHE 121 CO 0.08 0.80 -0.70 0.00 -0.60 0.00 0.00 178.31 177.89 1ryt h ALA 122 N 1.29 0.72 -0.02 2.45 0.00 -1.26 -3.12 119.26 119.32 1ryt h ALA 122 Ca 0.23 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1ryt h ALA 122 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ryt h ALA 122 CO -0.02 0.79 -0.65 0.77 0.00 0.00 0.00 179.25 180.15 1ryt h SER 123 N 0.16 0.10 -0.44 0.00 0.02 -0.85 -3.11 113.55 109.43 1ryt h SER 123 Ca -0.02 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.74 1ryt h SER 123 Cb 1.25 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1ryt h SER 123 CO 0.11 0.72 -0.23 0.40 -1.14 0.00 0.00 176.83 176.69 1ryt h ILE 124 N 0.06 1.27 -0.59 3.27 2.04 -1.27 -2.86 117.51 119.44 1ryt h ILE 124 Ca -0.01 -1.38 0.09 0.00 1.00 0.00 0.00 64.86 64.55 1ryt h ILE 124 Cb 1.15 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 1ryt h ILE 124 CO 0.09 0.47 0.39 0.00 0.00 0.00 0.00 178.15 179.11 1ryt h ALA 125 N 0.91 1.97 -0.76 1.87 0.00 -1.47 -0.54 119.26 121.23 1ryt h ALA 125 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ryt h ALA 125 Cb 0.79 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ryt h ALA 125 CO 0.07 -0.09 0.35 0.28 0.00 0.00 0.00 179.25 179.86 1ryt h VAL 126 N 0.44 1.25 -0.10 0.00 2.07 -1.51 -1.10 116.25 117.31 1ryt h VAL 126 Ca 0.27 -0.71 -0.17 0.00 0.82 0.00 0.00 66.70 66.91 1ryt h VAL 126 Cb 0.47 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1ryt h VAL 126 CO -0.07 0.30 -0.65 0.00 0.02 0.00 0.00 177.57 177.16 1ryt h ALA 127 N 1.18 0.70 0.00 1.67 0.00 -1.19 -2.82 119.26 118.80 1ryt h ALA 127 Ca 0.26 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1ryt h ALA 127 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ryt h ALA 127 CO -0.03 0.74 -0.18 0.93 0.00 0.00 0.00 179.25 180.71 1ryt h GLU 128 N 0.27 0.00 -0.04 0.00 4.39 -0.64 -2.27 114.58 116.28 1ryt h GLU 128 Ca -0.01 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 1ryt h GLU 128 Cb 1.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1ryt h GLU 128 CO 0.11 0.18 -0.92 1.49 -1.16 0.00 0.00 179.01 178.71 1ryt h GLU 129 N 0.00 0.61 -0.19 2.33 4.81 -0.95 -3.03 114.58 118.15 1ryt h GLU 129 Ca -0.00 -0.60 -0.15 0.00 -0.13 0.00 0.00 59.36 58.49 1ryt h GLU 129 Cb 0.56 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ryt h GLU 129 CO 0.02 1.21 -0.49 0.35 -0.73 0.00 0.00 179.01 179.37 1ryt h PHE 130 N 0.37 0.64 -0.51 0.92 3.57 -1.45 -2.54 116.94 117.94 1ryt h PHE 130 Ca -0.09 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.22 1ryt h PHE 130 Cb 1.56 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1ryt h PHE 130 CO 0.08 0.91 0.31 0.45 -2.23 0.00 0.00 178.31 177.83 1ryt h HIS 131 N 0.41 0.57 -0.17 0.41 3.86 -1.45 -0.48 115.15 118.30 1ryt h HIS 131 Ca 0.02 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1ryt h HIS 131 Cb 1.01 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1ryt h HIS 131 CO 0.04 0.33 0.08 1.49 0.86 0.00 0.00 177.93 180.73 1ryt h GLU 132 N 0.61 0.25 -0.71 2.45 4.81 -1.48 -1.80 114.58 118.71 1ryt h GLU 132 Ca 0.20 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1ryt h GLU 132 Cb 0.01 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1ryt h GLU 132 CO -0.09 0.31 0.44 0.87 -0.73 0.00 0.00 179.01 179.81 1ryt h LYS 133 N 0.14 0.82 -0.65 1.92 6.56 -1.10 -0.52 116.57 123.73 1ryt h LYS 133 Ca 0.06 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.57 1ryt h LYS 133 Cb 0.14 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 31.59 1ryt h LYS 133 CO -0.01 0.54 0.29 -0.09 -2.06 0.00 0.00 179.45 178.13 1ryt h ARG 134 N 0.84 0.95 -0.18 3.15 2.43 -1.00 -1.34 114.38 119.23 1ryt h ARG 134 Ca 0.29 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1ryt h ARG 134 Cb 0.05 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1ryt h ARG 134 CO -0.12 0.77 -0.28 0.74 -1.51 0.00 0.00 179.97 179.57 1ryt h PHE 135 N 0.90 0.38 -0.15 2.20 0.04 -0.81 -2.65 116.94 116.86 1ryt h PHE 135 Ca 0.22 -0.08 -0.16 0.00 2.80 0.00 0.00 57.97 60.75 1ryt h PHE 135 Cb 0.15 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1ryt h PHE 135 CO 0.01 0.60 -0.59 -0.07 -0.60 0.00 0.00 178.31 177.66 1ryt h LEU 136 N 0.30 0.55 -0.34 1.54 3.38 -0.56 -2.04 115.31 118.14 1ryt h LEU 136 Ca 0.04 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1ryt h LEU 136 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ryt h LEU 136 CO 0.05 1.01 -0.17 0.44 0.09 0.00 0.00 178.44 179.86 1ryt h ASP 137 N 0.37 0.73 -0.59 -0.43 3.32 -1.05 -2.16 116.42 116.62 1ryt h ASP 137 Ca -0.00 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 1ryt h ASP 137 Cb 1.13 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1ryt h ASP 137 CO 0.11 0.98 0.00 -0.26 -1.72 0.00 0.00 179.24 178.35 1ryt h PHE 138 N 0.49 1.14 -0.51 4.55 0.04 -1.46 -1.03 116.94 120.16 1ryt h PHE 138 Ca 0.07 -0.19 0.02 0.00 2.80 0.00 0.00 57.97 60.67 1ryt h PHE 138 Cb 0.71 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 1ryt h PHE 138 CO 0.06 1.01 0.31 0.00 -0.60 0.00 0.00 178.31 179.09 1ryt h ALA 139 N 1.02 0.65 -0.32 2.45 0.00 -1.25 -2.13 119.26 119.68 1ryt h ALA 139 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ryt h ALA 139 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ryt h ALA 139 CO 0.03 0.03 0.15 -0.09 0.00 0.00 0.00 179.25 179.37 1ryt h ARG 140 N 0.62 0.47 -1.00 0.00 2.43 -1.09 -1.01 114.38 114.81 1ryt h ARG 140 Ca 0.20 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1ryt h ARG 140 Cb -0.00 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.41 1ryt h ARG 140 CO -0.08 0.44 0.66 -0.91 -1.51 0.00 0.00 179.97 178.57 1ryt h ASN 141 N 0.39 1.10 0.39 -3.80 -0.26 -1.02 0.91 115.58 113.29 1ryt h ASN 141 Ca 0.11 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1ryt h ASN 141 Cb 0.13 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 1ryt h ASN 141 CO -0.01 0.76 -0.19 0.40 -1.06 0.00 0.00 177.43 177.33 1ryt h ILE 142 N 1.28 0.60 -0.66 2.81 2.04 -1.06 0.37 117.51 122.90 1ryt h ILE 142 Ca 0.39 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1ryt h ILE 142 Cb -0.03 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1ryt h ILE 142 CO -0.12 0.07 0.44 0.50 0.00 0.00 0.00 178.15 179.04 1ryt h LYS 143 N -0.74 0.65 -0.01 2.37 3.64 -0.94 -0.05 116.57 121.49 1ryt h LYS 143 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ryt h LYS 143 Cb 0.51 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1ryt h LYS 143 CO 0.09 0.43 -0.18 0.39 -2.27 0.00 0.00 179.45 177.91 1ryt n GLU 144 N -4.48 1.26 -1.83 1.90 1.02 0.29 -4.96 120.64 113.85 1ryt n GLU 144 Ca 0.09 -0.81 -0.10 0.00 -0.02 0.00 0.00 57.16 56.32 1ryt n GLU 144 Cb 0.23 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1ryt n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ryt n GLY 145 N 1.30 0.45 1.72 0.62 0.00 0.27 -4.92 105.19 104.62 1ryt n GLY 145 Ca 0.14 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.69 1ryt n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ryt n ARG 146 N -2.28 4.08 -0.04 1.61 1.74 0.11 -4.50 116.66 117.37 1ryt n ARG 146 Ca -0.11 -3.09 -0.13 0.00 -0.77 0.00 0.00 57.85 53.75 1ryt n ARG 146 Cb 0.49 -2.16 -0.08 0.00 -1.02 0.00 0.00 32.46 29.69 1ryt n ARG 146 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ryt h VAL 147 N 3.08 1.35 -0.04 1.55 2.07 -1.89 -3.36 116.25 119.01 1ryt h VAL 147 Ca 0.09 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1ryt h VAL 147 Cb 1.99 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 1ryt h VAL 147 CO 0.52 0.35 -0.32 0.49 0.02 0.00 0.00 177.57 178.62 1ryt n PHE 148 N -4.65 0.12 -3.55 1.57 3.72 -1.26 -4.91 117.46 108.50 1ryt n PHE 148 Ca -0.07 -1.37 -0.01 0.00 -0.05 0.00 0.00 57.45 55.95 1ryt n PHE 148 Cb 0.32 -0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 1ryt n PHE 148 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ryt s LEU 149 N -3.14 -0.66 0.43 4.37 2.96 -1.26 -2.10 118.68 119.27 1ryt s LEU 149 Ca 0.37 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 55.33 1ryt s LEU 149 Cb 0.35 1.85 -0.03 0.00 0.50 0.00 0.00 46.19 48.85 1ryt s LEU 149 CO -0.03 -0.14 0.26 -0.13 -1.32 0.00 0.00 176.35 174.98 1ryt s ARG 150 N 2.01 2.33 0.03 1.98 1.81 0.22 -4.41 118.95 122.92 1ryt s ARG 150 Ca -0.06 -1.76 -0.01 0.00 -1.72 0.00 0.00 55.73 52.17 1ryt s ARG 150 Cb -0.06 -2.12 -0.27 0.00 -0.45 0.00 0.00 34.95 32.06 1ryt s ARG 150 CO -0.17 -0.18 0.95 0.93 -0.68 0.00 0.00 175.30 176.15 1ryt h GLU 151 N 1.24 0.21 -6.19 3.54 3.07 -1.98 -3.44 114.58 111.03 1ryt h GLU 151 Ca -0.42 -0.35 -0.51 0.00 -0.50 0.00 0.00 59.36 57.58 1ryt h GLU 151 Cb 1.26 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 29.25 1ryt h GLU 151 CO 0.65 1.08 -0.52 -0.65 -1.40 0.00 0.00 179.01 178.17 1ryt s GLN 152 N -2.63 2.75 -0.17 2.33 -1.52 -1.26 -5.01 119.66 114.14 1ryt s GLN 152 Ca -0.07 -1.20 -0.28 0.00 -1.95 0.00 0.00 55.36 51.86 1ryt s GLN 152 Cb 0.07 -2.46 -0.00 0.00 -0.22 0.00 0.00 33.01 30.40 1ryt s GLN 152 CO 0.85 0.29 0.98 0.00 -0.25 0.00 0.00 175.29 177.16 1ryt s ALA 153 N -2.23 3.54 0.21 6.09 0.00 -1.26 -4.53 121.76 123.57 1ryt s ALA 153 Ca 0.35 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1ryt s ALA 153 Cb -0.07 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1ryt s ALA 153 CO 0.25 -0.78 0.02 0.25 0.00 0.00 0.00 175.76 175.50 1ryt n THR 154 N 4.88 0.00 -4.09 0.00 -2.24 0.32 -4.83 114.28 108.33 1ryt n THR 154 Ca 0.09 -1.05 -0.35 0.00 -2.27 0.00 0.00 64.05 60.48 1ryt n THR 154 Cb 0.48 0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 1ryt n THR 154 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ryt s LYS 155 N -2.76 3.84 -0.07 -0.78 1.02 -1.26 -0.57 119.74 119.16 1ryt s LYS 155 Ca 0.03 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.63 1ryt s LYS 155 Cb 0.00 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1ryt s LYS 155 CO 0.02 0.20 -0.11 -1.58 -0.92 0.00 0.00 175.35 172.96 1ryt s TRP 156 N 0.54 2.81 -0.09 3.18 0.52 0.15 -0.42 118.94 125.63 1ryt s TRP 156 Ca 0.01 -0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.03 1ryt s TRP 156 Cb -0.13 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1ryt s TRP 156 CO 0.02 0.20 -0.21 0.50 0.02 0.00 0.00 176.95 177.47 1ryt s ARG 157 N -0.61 2.95 -0.29 4.98 3.52 0.16 0.02 118.95 129.68 1ryt s ARG 157 Ca 0.09 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 1ryt s ARG 157 Cb -0.11 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.95 1ryt s ARG 157 CO 0.01 0.27 1.18 0.00 -0.81 0.00 0.00 175.30 175.95 1ryt h ARG 159 N 8.49 0.00 0.03 0.00 3.08 -1.25 0.42 114.38 125.15 1ryt h ARG 159 Ca -0.23 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 1ryt h ARG 159 Cb 1.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.14 1ryt h ARG 159 CO 1.02 0.04 -0.58 -0.97 -1.07 0.00 0.00 179.97 178.41 1ryt h ASN 160 N 0.00 0.46 0.00 7.04 -0.00 -1.91 -3.40 115.58 117.77 1ryt h ASN 160 Ca -0.00 -0.80 0.00 0.00 -0.00 0.00 0.00 56.30 55.50 1ryt h ASN 160 Cb 0.44 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 1ryt h ASN 160 CO 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 177.43 178.65 1ryt n GLY 162 N 0.70 0.62 3.71 0.00 0.00 0.15 -5.02 105.19 105.34 1ryt n GLY 162 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ryt n GLY 162 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ryt s TYR 163 N -2.07 2.79 -0.17 1.61 5.04 -1.25 -4.67 117.35 118.63 1ryt s TYR 163 Ca 0.00 0.48 -0.13 0.00 -2.44 0.00 0.00 57.07 54.98 1ryt s TYR 163 Cb 0.00 -3.95 -0.05 0.00 0.35 0.00 0.00 41.96 38.31 1ryt s TYR 163 CO 0.00 -3.65 0.27 0.08 -1.34 0.00 0.00 175.55 170.90 1ryt s VAL 164 N 1.76 5.32 -0.08 3.14 1.01 -1.26 -1.59 120.40 128.71 1ryt s VAL 164 Ca 0.72 0.49 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1ryt s VAL 164 Cb -0.42 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1ryt s VAL 164 CO 0.32 0.40 -0.21 -2.28 0.00 0.00 0.00 175.10 173.32 1ryt s HIS 165 N 0.46 2.21 -0.19 5.22 2.46 0.10 -4.95 115.29 120.60 1ryt s HIS 165 Ca 0.15 -0.82 -0.08 0.00 0.47 0.00 0.00 55.06 54.78 1ryt s HIS 165 Cb -0.13 -1.49 -0.04 0.00 -0.13 0.00 0.00 32.58 30.79 1ryt s HIS 165 CO 0.03 -0.32 0.08 -1.21 -2.47 0.00 0.00 174.74 170.85 1ryt s GLU 166 N 0.28 4.00 0.00 2.88 2.02 -1.26 0.32 118.70 126.94 1ryt s GLU 166 Ca -0.13 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1ryt s GLU 166 Cb -0.16 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1ryt s GLU 166 CO 0.06 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1ryt n GLY 167 N 3.66 -0.83 0.10 -1.39 0.00 0.26 -4.96 105.19 102.03 1ryt n GLY 167 Ca -0.16 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 1ryt n GLY 167 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ryt h THR 168 N 3.17 1.49 -4.22 2.61 1.35 -1.83 0.92 112.91 116.39 1ryt h THR 168 Ca 0.00 -2.81 -0.15 0.00 -0.55 0.00 0.00 66.41 62.91 1ryt h THR 168 Cb 0.00 2.55 -0.15 0.00 -1.73 0.00 0.00 68.15 68.82 1ryt h THR 168 CO 0.00 0.78 -0.68 -0.83 -0.25 0.00 0.00 175.52 174.55 1ryt s GLY 169 N -4.59 0.61 0.36 5.82 0.00 -1.26 0.73 107.32 108.99 1ryt s GLY 169 Ca 0.01 -1.28 -0.26 0.00 0.00 0.00 0.00 44.72 43.18 1ryt s GLY 169 CO 0.79 -1.35 1.10 0.00 0.00 0.00 0.00 173.10 173.64 1ryt s ALA 170 N -3.91 3.21 0.84 3.20 0.00 -0.89 -4.98 121.76 119.23 1ryt s ALA 170 Ca 0.11 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1ryt s ALA 170 Cb 0.08 -3.32 0.10 0.00 0.00 0.00 0.00 23.12 19.97 1ryt s ALA 170 CO -0.07 -0.29 1.09 -1.25 0.00 0.00 0.00 175.76 175.24 1ryt s PRO 171 N -2.09 1.72 0.32 0.00 0.04 -1.26 -4.96 135.00 128.77 1ryt s PRO 171 Ca 0.53 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.53 1ryt s PRO 171 Cb -0.28 -1.85 0.54 0.00 0.04 0.00 0.00 34.50 32.95 1ryt s PRO 171 CO 0.35 -1.95 1.88 0.93 0.04 0.00 0.00 177.00 178.25 1ryt h GLU 172 N -1.34 0.68 -3.39 4.56 4.39 -1.96 -3.32 114.58 114.20 1ryt h GLU 172 Ca -0.47 -0.13 -0.19 0.00 0.34 0.00 0.00 59.36 58.92 1ryt h GLU 172 Cb 1.26 -0.11 -0.26 0.00 -0.10 0.00 0.00 28.75 29.54 1ryt h GLU 172 CO 0.54 0.62 -0.55 -0.51 -1.16 0.00 0.00 179.01 177.95 1ryt s LEU 173 N -9.25 1.46 0.11 1.33 1.43 -1.26 -1.73 118.68 110.76 1ryt s LEU 173 Ca -0.09 0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 1ryt s LEU 173 Cb 0.16 0.50 -0.07 0.00 0.03 0.00 0.00 46.19 46.80 1ryt s LEU 173 CO 0.78 -0.07 1.34 0.00 0.23 0.00 0.00 176.35 178.63 1ryt h PRO 175 N 6.64 0.00 0.00 0.00 0.13 -1.97 0.95 132.00 137.75 1ryt h PRO 175 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ryt h PRO 175 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ryt h PRO 175 CO 0.84 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 178.20 1ryt h ALA 176 N 2.09 0.01 -0.02 -0.56 0.00 -1.97 -3.41 119.26 115.41 1ryt h ALA 176 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ryt h ALA 176 Cb 0.43 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ryt h ALA 176 CO 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 179.25 179.38 1ryt n ALA 178 N 0.18 -0.40 -2.37 0.00 0.00 0.33 -4.97 120.51 113.28 1ryt n ALA 178 Ca 0.12 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 1ryt n ALA 178 Cb 0.46 -1.96 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 1ryt n ALA 178 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1ryt s HIS 179 N -2.73 3.43 1.02 0.00 3.76 -1.26 -4.70 115.29 114.82 1ryt s HIS 179 Ca 0.00 0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 55.67 1ryt s HIS 179 Cb 0.00 -2.29 0.20 0.00 1.11 0.00 0.00 32.58 31.60 1ryt s HIS 179 CO 0.00 0.19 1.11 -1.25 -0.85 0.00 0.00 174.74 173.94 1ryt s PRO 180 N -3.07 0.25 0.38 8.40 0.04 -1.26 0.45 135.00 140.19 1ryt s PRO 180 Ca 0.48 0.36 0.20 0.00 0.04 0.00 0.00 61.00 62.09 1ryt s PRO 180 Cb -0.11 -1.73 1.22 0.00 0.04 0.00 0.00 34.50 33.92 1ryt s PRO 180 CO 0.23 -2.82 1.65 -0.22 0.04 0.00 0.00 177.00 175.88 1ryt h LYS 181 N -1.95 0.22 -0.27 4.56 3.64 -1.43 -0.69 116.57 120.64 1ryt h LYS 181 Ca -0.53 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 58.92 1ryt h LYS 181 Cb 1.33 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1ryt h LYS 181 CO 0.55 0.14 0.65 0.00 -2.27 0.00 0.00 179.45 178.52 1ryt h ALA 182 N 1.77 1.94 -0.00 5.00 0.00 -1.88 -0.32 119.26 125.76 1ryt h ALA 182 Ca 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1ryt h ALA 182 Cb 1.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1ryt h ALA 182 CO -0.54 -0.79 -0.28 0.72 0.00 0.00 0.00 179.25 178.37 1ryt n HIS 183 N -3.07 0.00 -3.17 0.00 8.25 -0.27 -2.57 115.22 114.38 1ryt n HIS 183 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 1ryt n HIS 183 Cb 0.76 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.62 1ryt n HIS 183 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ryt s PHE 184 N -2.66 3.56 0.18 4.41 0.40 -0.13 -0.67 117.98 123.07 1ryt s PHE 184 Ca 0.21 1.26 -0.01 0.00 -0.60 0.00 0.00 56.93 57.79 1ryt s PHE 184 Cb 0.19 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1ryt s PHE 184 CO 0.56 0.29 0.09 -1.83 0.70 0.00 0.00 175.22 175.02 1ryt s GLU 185 N -2.28 1.12 0.03 0.44 -1.05 0.68 -4.79 118.70 112.85 1ryt s GLU 185 Ca 0.45 -1.57 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 1ryt s GLU 185 Cb -0.14 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.65 1ryt s GLU 185 CO 0.20 -0.31 1.19 -0.51 0.95 0.00 0.00 175.26 176.78 1ryt s LEU 186 N -3.14 4.35 0.05 1.83 1.43 -1.26 0.35 118.68 122.29 1ryt s LEU 186 Ca 0.32 1.96 -0.32 0.00 -1.03 0.00 0.00 54.13 55.06 1ryt s LEU 186 Cb 0.07 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.61 1ryt s LEU 186 CO 0.08 -0.49 1.86 -0.11 0.23 0.00 0.00 176.35 177.92 1ryt n LEU 187 N 4.22 3.81 -4.33 1.79 7.94 0.44 -4.73 117.00 126.14 1ryt n LEU 187 Ca 0.09 0.97 -0.25 0.00 -1.11 0.00 0.00 56.01 55.71 1ryt n LEU 187 Cb 0.47 -1.48 -0.12 0.00 0.53 0.00 0.00 43.42 42.81 1ryt n LEU 187 CO 0.55 0.07 -0.53 -0.83 -1.11 0.00 0.00 177.39 175.55 1ryt s GLY 188 N 3.31 1.37 -0.05 -3.96 0.00 -1.26 -4.94 107.32 101.79 1ryt s GLY 188 Ca 0.86 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.22 1ryt s GLY 188 CO 0.42 -1.36 0.00 -0.42 0.00 0.00 0.00 173.10 171.74 1ryt s ILE 189 N -1.28 0.27 -0.39 0.90 1.01 -1.26 -5.07 121.20 115.37 1ryt s ILE 189 Ca 0.10 0.13 0.11 0.00 0.00 0.00 0.00 60.65 60.99 1ryt s ILE 189 Cb -0.09 -0.41 0.34 0.00 0.01 0.00 0.00 42.46 42.30 1ryt s ILE 189 CO 0.05 0.21 0.73 -0.46 0.00 0.00 0.00 174.94 175.47 1ryt n ASN 190 N 4.77 1.10 0.00 3.58 2.04 -1.26 -5.34 115.26 120.15 1ryt n ASN 190 Ca -0.14 -3.04 0.00 0.00 -0.44 0.00 0.00 54.58 50.97 1ryt n ASN 190 Cb 0.50 -0.62 0.00 0.00 -2.53 0.00 0.00 39.78 37.13 1ryt n ASN 190 CO 0.00 0.00 0.00 -2.67 -0.44 0.00 0.00 177.26 174.15