#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hab n HIS 2 N 0.00 0.00 -1.65 6.34 -0.00 -1.26 -4.55 115.22 114.10 1hab n HIS 2 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 1hab n HIS 2 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1hab n HIS 2 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1hab n LEU 3 N -0.04 -2.62 -4.76 0.27 7.99 -1.26 -4.96 117.00 111.63 1hab n LEU 3 Ca 0.00 0.28 -0.40 0.00 -0.01 0.00 0.00 56.01 55.89 1hab n LEU 3 Cb 0.00 -1.31 0.03 0.00 -0.11 0.00 0.00 43.42 42.03 1hab n LEU 3 CO 0.00 -0.52 1.04 0.35 -1.51 0.00 0.00 177.39 176.75 1hab n THR 4 N 0.20 3.10 0.24 -5.08 -2.24 -1.26 -4.31 114.28 104.93 1hab n THR 4 Ca -0.04 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1hab n THR 4 Cb 0.07 -1.79 0.46 0.00 -2.10 0.00 0.00 70.33 66.97 1hab n THR 4 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1hab h PRO 5 N 2.03 0.00 0.00 -0.78 0.11 -1.97 2.85 132.00 134.25 1hab h PRO 5 Ca -0.51 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.36 1hab h PRO 5 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 1hab h PRO 5 CO 0.60 0.00 -1.28 1.05 -0.21 0.00 0.00 178.00 178.16 1hab h GLU 6 N 0.00 0.00 -0.09 1.05 9.09 -1.99 -1.06 114.58 121.58 1hab h GLU 6 Ca 0.00 -0.01 -0.05 0.00 0.05 0.00 0.00 59.36 59.35 1hab h GLU 6 Cb 0.79 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1hab h GLU 6 CO 0.00 0.81 -0.13 0.93 0.05 0.00 0.00 179.01 180.67 1hab h GLU 7 N 0.00 0.25 -0.96 1.06 5.08 0.44 -1.72 114.58 118.73 1hab h GLU 7 Ca -0.12 -0.15 0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1hab h GLU 7 Cb 1.87 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.98 1hab h GLU 7 CO 0.11 0.71 -0.42 0.87 -1.00 0.00 0.00 179.01 179.28 1hab h LYS 8 N -0.18 -0.02 0.92 2.33 1.79 0.16 0.26 116.57 121.83 1hab h LYS 8 Ca 0.01 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1hab h LYS 8 Cb 0.68 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1hab h LYS 8 CO 0.03 -0.01 -0.44 0.66 -1.08 0.00 0.00 179.45 178.61 1hab h SER 9 N -0.02 -1.04 -0.79 0.86 4.64 -1.10 -2.89 113.55 113.21 1hab h SER 9 Ca 0.31 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.73 1hab h SER 9 Cb 0.57 0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 62.83 1hab h SER 9 CO -0.96 -0.71 -0.46 0.00 -0.87 0.00 0.00 176.83 173.83 1hab n ALA 10 N -2.67 -0.50 0.01 5.18 0.00 -0.66 0.74 120.51 122.61 1hab n ALA 10 Ca -0.15 0.67 -0.01 0.00 0.00 0.00 0.00 53.44 53.94 1hab n ALA 10 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1hab n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hab h VAL 11 N 0.00 0.00 -0.96 0.00 2.07 -0.59 -1.31 116.25 115.45 1hab h VAL 11 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1hab h VAL 11 Cb 0.32 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.97 1hab h VAL 11 CO -0.74 0.00 -0.57 0.74 0.02 0.00 0.00 177.57 177.02 1hab h THR 12 N -0.06 0.00 -0.93 2.57 2.02 -1.25 0.62 112.91 115.89 1hab h THR 12 Ca -0.00 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.42 1hab h THR 12 Cb 0.06 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.42 1hab h THR 12 CO -0.02 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.51 1hab h ALA 13 N 0.54 2.55 0.19 6.16 0.00 0.42 -1.31 119.26 127.81 1hab h ALA 13 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1hab h ALA 13 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hab h ALA 13 CO -0.92 -0.84 -0.09 1.25 0.00 0.00 0.00 179.25 178.65 1hab h LEU 14 N 0.19 -0.22 -1.92 0.00 7.12 0.14 -3.26 115.31 117.37 1hab h LEU 14 Ca 0.47 -0.30 0.31 0.00 0.13 0.00 0.00 57.88 58.49 1hab h LEU 14 Cb 1.51 0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 41.65 1hab h LEU 14 CO -0.10 0.25 0.78 -0.25 -0.13 0.00 0.00 178.44 178.98 1hab h TRP 15 N -0.75 0.08 0.00 1.25 -0.00 -0.31 -1.70 115.95 114.52 1hab h TRP 15 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 1hab h TRP 15 Cb 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.64 1hab h TRP 15 CO 0.06 0.01 0.00 0.41 -0.00 0.00 0.00 178.44 178.92 1hab n GLY 16 N -1.72 -0.95 0.69 2.65 0.00 -1.08 -1.46 105.19 103.32 1hab n GLY 16 Ca 0.24 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.36 1hab n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hab n LYS 17 N -1.83 2.88 -3.25 1.61 5.02 -0.64 -4.97 118.16 116.97 1hab n LYS 17 Ca 0.02 -2.13 -0.40 0.00 -2.02 0.00 0.00 58.31 53.78 1hab n LYS 17 Cb 0.13 -1.32 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 1hab n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hab s VAL 18 N -1.13 5.07 -0.94 -0.18 1.01 -0.54 -4.99 120.40 118.71 1hab s VAL 18 Ca 0.25 0.80 -0.24 0.00 0.00 0.00 0.00 61.98 62.79 1hab s VAL 18 Cb 0.14 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1hab s VAL 18 CO 0.16 0.06 1.87 0.21 0.00 0.00 0.00 175.10 177.40 1hab s ASN 19 N 1.58 5.36 0.43 3.32 3.84 -1.26 -4.82 114.94 123.38 1hab s ASN 19 Ca 0.20 -0.87 0.19 0.00 0.21 0.00 0.00 52.86 52.59 1hab s ASN 19 Cb -0.16 -2.56 1.12 0.00 -0.55 0.00 0.00 41.25 39.10 1hab s ASN 19 CO 0.10 -2.56 1.85 0.58 -2.79 0.00 0.00 177.10 174.28 1hab h VAL 20 N 7.11 0.66 0.00 -5.21 2.07 -1.94 1.05 116.25 119.98 1hab h VAL 20 Ca 0.12 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1hab h VAL 20 Cb 1.00 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1hab h VAL 20 CO 1.25 0.07 -0.04 0.44 0.02 0.00 0.00 177.57 179.31 1hab h ASP 21 N 0.37 0.00 0.00 0.57 3.32 -1.96 -3.17 116.42 115.56 1hab h ASP 21 Ca 0.48 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.35 1hab h ASP 21 Cb 1.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 1hab h ASP 21 CO -0.17 0.04 -1.76 -0.62 -1.72 0.00 0.00 179.24 175.00 1hab n GLU 22 N -4.33 1.82 0.00 3.56 -0.58 0.34 -4.44 120.64 117.00 1hab n GLU 22 Ca -0.03 -0.02 -0.18 0.00 -0.42 0.00 0.00 57.16 56.51 1hab n GLU 22 Cb 0.12 -1.30 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 1hab n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1hab h VAL 23 N 0.00 1.33 -0.97 2.62 2.07 -0.93 -2.90 116.25 117.47 1hab h VAL 23 Ca -0.27 -2.04 0.28 0.00 0.82 0.00 0.00 66.70 65.49 1hab h VAL 23 Cb 1.54 2.29 -0.14 0.00 -1.52 0.00 0.00 31.29 33.46 1hab h VAL 23 CO 0.01 0.62 0.49 1.23 0.02 0.00 0.00 177.57 179.95 1hab h GLY 24 N 0.25 1.86 0.62 2.17 0.00 -1.74 -1.77 103.07 104.47 1hab h GLY 24 Ca -0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1hab h GLY 24 CO 0.15 -0.41 -0.29 -1.33 0.00 0.00 0.00 176.54 174.66 1hab h GLY 25 N 0.35 0.31 -0.05 4.60 0.00 -1.74 -2.65 103.07 103.89 1hab h GLY 25 Ca 0.67 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 47.63 1hab h GLY 25 CO -0.59 0.40 -0.27 0.83 0.00 0.00 0.00 176.54 176.92 1hab h GLU 26 N -0.26 -0.21 0.05 4.80 4.39 -1.14 0.52 114.58 122.75 1hab h GLU 26 Ca -0.02 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1hab h GLU 26 Cb 0.96 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1hab h GLU 26 CO 0.06 -0.14 -0.06 0.00 -1.16 0.00 0.00 179.01 177.71 1hab h ALA 27 N 0.90 -0.76 -0.90 3.43 0.00 -1.47 0.31 119.26 120.77 1hab h ALA 27 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1hab h ALA 27 Cb 0.49 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1hab h ALA 27 CO -0.49 -0.77 0.59 1.25 0.00 0.00 0.00 179.25 179.83 1hab h LEU 28 N -0.12 1.04 -0.31 0.00 5.85 -1.15 -0.88 115.31 119.75 1hab h LEU 28 Ca -0.01 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1hab h LEU 28 Cb 0.11 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1hab h LEU 28 CO -0.01 0.76 0.11 1.23 -0.34 0.00 0.00 178.44 180.19 1hab h GLY 29 N 1.23 0.51 1.22 3.75 0.00 0.14 -1.90 103.07 108.02 1hab h GLY 29 Ca 0.33 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1hab h GLY 29 CO -0.07 0.27 0.16 3.21 0.00 0.00 0.00 176.54 180.11 1hab h ARG 30 N 0.35 0.97 -0.66 4.80 3.08 0.39 -1.55 114.38 121.75 1hab h ARG 30 Ca 0.10 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1hab h ARG 30 Cb 0.22 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1hab h ARG 30 CO -0.01 0.86 0.38 1.25 -1.07 0.00 0.00 179.97 181.38 1hab h LEU 31 N 0.93 0.59 -1.55 3.04 5.85 -1.04 0.68 115.31 123.81 1hab h LEU 31 Ca 0.20 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1hab h LEU 31 Cb 0.32 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1hab h LEU 31 CO -0.00 0.40 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.25 1hab h LEU 32 N 0.73 0.00 0.08 2.25 3.38 -0.81 -0.93 115.31 120.00 1hab h LEU 32 Ca 0.28 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.92 1hab h LEU 32 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1hab h LEU 32 CO -0.15 0.18 -1.85 0.58 0.09 0.00 0.00 178.44 177.28 1hab h VAL 33 N 0.00 0.74 0.16 1.22 2.07 -0.22 -3.34 116.25 116.88 1hab h VAL 33 Ca -0.00 -2.51 -0.25 0.00 0.82 0.00 0.00 66.70 64.75 1hab h VAL 33 Cb 0.53 2.49 0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1hab h VAL 33 CO 0.02 0.73 -1.08 0.58 0.02 0.00 0.00 177.57 177.84 1hab h VAL 34 N 0.04 1.38 -2.84 2.57 2.07 0.34 -3.40 116.25 116.43 1hab h VAL 34 Ca -0.36 -2.51 -0.61 0.00 0.82 0.00 0.00 66.70 64.04 1hab h VAL 34 Cb 2.03 2.97 -0.41 0.00 -1.52 0.00 0.00 31.29 34.36 1hab h VAL 34 CO 0.09 0.74 -0.70 -1.22 0.02 0.00 0.00 177.57 176.50 1hab n TYR 35 N -3.94 1.96 0.32 1.57 4.01 -0.36 -4.95 117.16 115.76 1hab n TYR 35 Ca -0.14 -4.00 0.20 0.00 -0.16 0.00 0.00 57.90 53.80 1hab n TYR 35 Cb 0.93 -0.35 1.04 0.00 -0.31 0.00 0.00 39.34 40.65 1hab n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hab h PRO 36 N 5.42 0.00 0.00 -0.72 0.13 -1.73 0.29 132.00 135.39 1hab h PRO 36 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1hab h PRO 36 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1hab h PRO 36 CO 0.61 0.01 0.00 0.11 -0.23 0.00 0.00 178.00 178.50 1hab h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.52 115.95 113.16 1hab h TRP 37 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.95 1hab h TRP 37 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.37 1hab h TRP 37 CO 0.00 0.00 -0.12 1.79 0.09 0.00 0.00 178.44 180.20 1hab h THR 38 N 0.00 0.61 -0.94 0.12 1.35 -0.73 -2.79 112.91 110.53 1hab h THR 38 Ca 0.00 -0.53 0.13 0.00 -0.55 0.00 0.00 66.41 65.46 1hab h THR 38 Cb 0.23 1.33 -0.09 0.00 -1.73 0.00 0.00 68.15 67.90 1hab h THR 38 CO 0.00 0.12 0.57 1.56 -0.25 0.00 0.00 175.52 177.52 1hab h GLN 39 N 0.00 0.84 0.00 4.72 4.20 -1.64 -1.62 115.11 121.62 1hab h GLN 39 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1hab h GLN 39 Cb 0.32 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1hab h GLN 39 CO 0.02 0.56 0.32 0.07 -0.67 0.00 0.00 178.83 179.12 1hab h ARG 40 N 0.87 0.00 0.00 1.46 0.11 -1.69 2.37 114.38 117.50 1hab h ARG 40 Ca 0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.56 1hab h ARG 40 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 1hab h ARG 40 CO -0.29 0.00 -0.19 1.19 0.10 0.00 0.00 179.97 180.78 1hab n PHE 41 N -2.53 0.24 -2.54 4.08 3.72 -0.61 -4.05 117.46 115.78 1hab n PHE 41 Ca -0.02 0.07 -0.14 0.00 -0.05 0.00 0.00 57.45 57.31 1hab n PHE 41 Cb 0.35 -0.54 0.03 0.00 -0.94 0.00 0.00 39.48 38.38 1hab n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hab n PHE 42 N -1.72 2.05 -0.18 1.38 3.72 0.80 -4.81 117.46 118.69 1hab n PHE 42 Ca 0.06 -2.61 -0.01 0.00 -0.05 0.00 0.00 57.45 54.84 1hab n PHE 42 Cb 0.37 -0.26 0.09 0.00 -0.94 0.00 0.00 39.48 38.74 1hab n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1hab h GLU 43 N 2.65 0.29 -1.03 -1.08 4.39 -1.69 -2.36 114.58 115.74 1hab h GLU 43 Ca 0.08 -0.02 0.27 0.00 0.34 0.00 0.00 59.36 60.03 1hab h GLU 43 Cb 1.20 -0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.67 1hab h GLU 43 CO 0.56 0.19 0.62 0.66 -1.16 0.00 0.00 179.01 179.88 1hab h SER 44 N 0.30 0.57 0.03 1.42 4.64 -1.91 -2.11 113.55 116.49 1hab h SER 44 Ca 0.29 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1hab h SER 44 Cb 0.39 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1hab h SER 44 CO -0.34 0.05 0.00 0.49 -0.87 0.00 0.00 176.83 176.16 1hab n PHE 45 N -4.84 0.13 -0.94 4.77 3.01 -0.89 -4.93 117.46 113.78 1hab n PHE 45 Ca 0.28 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.80 1hab n PHE 45 Cb 0.85 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 1hab n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hab n GLY 46 N -1.37 0.84 3.69 1.37 0.00 -0.80 -4.82 105.19 104.10 1hab n GLY 46 Ca -0.00 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1hab n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hab s ASP 47 N -4.00 6.71 0.00 1.61 2.15 -1.26 -4.80 116.67 117.08 1hab s ASP 47 Ca 0.00 2.33 0.00 0.00 0.43 0.00 0.00 52.55 55.31 1hab s ASP 47 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1hab s ASP 47 CO 0.00 -0.82 0.57 0.18 -0.17 0.00 0.00 175.17 174.93 1hab n LEU 48 N 5.51 0.45 -0.38 -1.34 4.77 -1.26 -4.37 117.00 120.38 1hab n LEU 48 Ca 0.15 -0.45 0.31 0.00 -0.03 0.00 0.00 56.01 55.98 1hab n LEU 48 Cb 0.42 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.08 1hab n LEU 48 CO 0.61 0.11 1.18 0.28 -1.33 0.00 0.00 177.39 178.24 1hab h SER 49 N 0.00 0.35 -5.34 -1.43 0.02 -1.90 -3.40 113.55 101.86 1hab h SER 49 Ca 0.00 0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 1hab h SER 49 Cb 0.83 0.13 -0.12 0.00 0.14 0.00 0.00 62.40 63.38 1hab h SER 49 CO 0.00 -0.16 -0.32 0.42 -1.14 0.00 0.00 176.83 175.63 1hab s THR 50 N -5.45 0.02 0.13 -2.27 -4.23 -1.26 -4.93 115.64 97.66 1hab s THR 50 Ca -0.09 -1.55 -0.24 0.00 -1.18 0.00 0.00 61.69 58.63 1hab s THR 50 Cb 0.30 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1hab s THR 50 CO 0.80 -0.11 1.64 -0.65 -0.54 0.00 0.00 174.62 175.76 1hab h PRO 51 N 2.45 -0.30 -0.56 3.99 0.11 -1.97 4.12 132.00 139.83 1hab h PRO 51 Ca -0.30 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1hab h PRO 51 Cb 1.24 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1hab h PRO 51 CO 0.44 -0.20 0.07 -0.44 -0.21 0.00 0.00 178.00 177.66 1hab h ASP 52 N -0.32 0.87 0.06 -2.05 5.19 -1.96 0.44 116.42 118.66 1hab h ASP 52 Ca 0.09 -0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1hab h ASP 52 Cb 0.45 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1hab h ASP 52 CO -0.29 0.89 -0.08 0.00 -3.12 0.00 0.00 179.24 176.64 1hab h ALA 53 N 1.21 -0.14 0.12 3.45 0.00 -1.24 -1.63 119.26 121.03 1hab h ALA 53 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hab h ALA 53 Cb 0.41 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1hab h ALA 53 CO 0.01 -0.59 -0.07 0.28 0.00 0.00 0.00 179.25 178.88 1hab h VAL 54 N -0.17 0.85 -0.64 0.00 2.07 0.90 -2.74 116.25 116.52 1hab h VAL 54 Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1hab h VAL 54 Cb 0.18 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1hab h VAL 54 CO -0.04 0.00 0.20 0.24 0.02 0.00 0.00 177.57 177.99 1hab h MET 55 N -0.18 0.99 0.00 1.57 2.86 -0.09 -2.73 114.93 117.34 1hab h MET 55 Ca -0.01 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1hab h MET 55 Cb 0.15 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1hab h MET 55 CO 0.01 0.87 0.00 0.41 1.06 0.00 0.00 176.91 179.26 1hab n GLY 56 N -0.73 -1.34 3.64 8.32 0.00 -0.62 -4.73 105.19 109.73 1hab n GLY 56 Ca 0.04 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1hab n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hab s ASN 57 N -3.28 6.47 0.21 1.61 3.84 -1.03 -4.80 114.94 117.94 1hab s ASN 57 Ca 0.10 1.86 -0.10 0.00 0.21 0.00 0.00 52.86 54.93 1hab s ASN 57 Cb 0.14 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.46 1hab s ASN 57 CO 0.44 -1.15 1.86 1.55 -2.79 0.00 0.00 177.10 177.01 1hab h PRO 58 N 10.38 0.99 -0.64 0.43 0.13 -1.88 -1.52 132.00 139.89 1hab h PRO 58 Ca -0.36 -0.08 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1hab h PRO 58 Cb 1.16 -0.21 -0.06 0.00 0.13 0.00 0.00 31.00 32.02 1hab h PRO 58 CO 0.98 0.69 0.31 0.87 -0.23 0.00 0.00 178.00 180.62 1hab h LYS 59 N 1.01 0.53 0.98 0.86 1.79 -1.87 0.75 116.57 120.62 1hab h LYS 59 Ca 0.27 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.66 1hab h LYS 59 Cb -0.07 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1hab h LYS 59 CO -0.05 0.35 -0.47 0.28 -1.08 0.00 0.00 179.45 178.48 1hab h VAL 60 N 0.55 0.03 -1.00 0.50 2.07 -1.80 -0.62 116.25 115.98 1hab h VAL 60 Ca 0.31 -0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.03 1hab h VAL 60 Cb 0.30 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 29.99 1hab h VAL 60 CO -0.24 0.00 0.61 0.11 0.02 0.00 0.00 177.57 178.07 1hab h LYS 61 N -1.33 0.68 0.64 1.57 1.57 -0.55 0.28 116.57 119.45 1hab h LYS 61 Ca -0.13 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1hab h LYS 61 Cb 1.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1hab h LYS 61 CO 0.22 0.45 -0.40 0.00 -0.57 0.00 0.00 179.45 179.15 1hab h ALA 62 N 1.65 -1.02 -0.43 3.86 0.00 0.83 -2.77 119.26 121.39 1hab h ALA 62 Ca 0.58 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1hab h ALA 62 Cb 0.99 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1hab h ALA 62 CO -0.38 -1.09 0.17 1.25 0.00 0.00 0.00 179.25 179.20 1hab h HIS 63 N -0.99 0.31 -0.87 0.00 -0.00 0.10 -0.58 115.15 113.12 1hab h HIS 63 Ca -0.08 0.02 0.25 0.00 -0.00 0.00 0.00 60.37 60.56 1hab h HIS 63 Cb 0.81 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 1hab h HIS 63 CO -0.11 0.13 0.72 0.78 -0.00 0.00 0.00 177.93 179.45 1hab h GLY 64 N 0.35 0.00 1.09 5.26 0.00 -0.72 0.28 103.07 109.34 1hab h GLY 64 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 1hab h GLY 64 CO -0.18 0.00 -0.42 1.70 0.00 0.00 0.00 176.54 177.64 1hab h LYS 65 N 0.00 0.85 -0.80 4.80 3.64 -0.81 -2.84 116.57 121.41 1hab h LYS 65 Ca 0.41 -0.49 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1hab h LYS 65 Cb 1.84 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.66 1hab h LYS 65 CO -0.00 1.13 0.53 0.87 -2.27 0.00 0.00 179.45 179.71 1hab h LYS 66 N 0.64 1.06 -0.06 1.90 6.56 -0.44 -2.25 116.57 123.97 1hab h LYS 66 Ca 0.04 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1hab h LYS 66 Cb 1.02 -0.24 -0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1hab h LYS 66 CO 0.10 0.70 0.03 0.28 -2.06 0.00 0.00 179.45 178.50 1hab h VAL 67 N 1.09 1.12 0.00 0.50 2.07 -1.29 -2.55 116.25 117.19 1hab h VAL 67 Ca 0.29 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1hab h VAL 67 Cb -0.13 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1hab h VAL 67 CO -0.06 0.10 -0.07 -0.07 0.02 0.00 0.00 177.57 177.49 1hab h LEU 68 N -0.03 0.00 0.06 2.57 3.38 -1.49 -0.68 115.31 119.12 1hab h LEU 68 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1hab h LEU 68 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1hab h LEU 68 CO -0.00 0.07 -0.05 1.23 0.09 0.00 0.00 178.44 179.78 1hab h GLY 69 N 1.61 -0.64 -0.30 0.83 0.00 -1.01 0.35 103.07 103.91 1hab h GLY 69 Ca -0.00 0.27 0.24 0.00 0.00 0.00 0.00 47.33 47.84 1hab h GLY 69 CO 0.01 -0.23 0.38 0.00 0.00 0.00 0.00 176.54 176.70 1hab h ALA 70 N -1.71 1.47 -0.26 3.60 0.00 -1.24 0.86 119.26 121.98 1hab h ALA 70 Ca -0.01 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1hab h ALA 70 Cb 0.09 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1hab h ALA 70 CO -0.00 -0.40 -0.34 0.74 0.00 0.00 0.00 179.25 179.25 1hab h PHE 71 N 0.35 -0.96 -0.46 0.00 0.04 -0.70 1.12 116.94 116.33 1hab h PHE 71 Ca 0.58 0.05 -0.03 0.00 2.80 0.00 0.00 57.97 61.37 1hab h PHE 71 Cb 1.15 0.46 -0.02 0.00 2.20 0.00 0.00 35.95 39.74 1hab h PHE 71 CO -0.15 -0.40 0.17 0.77 -0.60 0.00 0.00 178.31 178.10 1hab h SER 72 N -0.34 0.64 -0.22 2.17 0.02 0.13 0.58 113.55 116.52 1hab h SER 72 Ca 0.13 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1hab h SER 72 Cb 0.55 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1hab h SER 72 CO -0.45 0.65 -0.47 -0.78 -1.14 0.00 0.00 176.83 174.64 1hab h ASP 73 N 0.60 -1.53 -0.44 3.07 3.58 -0.67 0.57 116.42 121.61 1hab h ASP 73 Ca 0.15 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1hab h ASP 73 Cb 0.21 0.61 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 1hab h ASP 73 CO -0.01 -0.38 0.26 1.23 -2.88 0.00 0.00 179.24 177.45 1hab h GLY 74 N -0.42 0.65 0.04 -0.78 0.00 0.18 -2.58 103.07 100.15 1hab h GLY 74 Ca 0.04 -0.28 0.20 0.00 0.00 0.00 0.00 47.33 47.30 1hab h GLY 74 CO -0.43 0.27 0.58 -2.00 0.00 0.00 0.00 176.54 174.96 1hab h LEU 75 N 0.58 0.71 -1.60 3.11 6.46 0.11 0.63 115.31 125.32 1hab h LEU 75 Ca 0.16 0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.98 1hab h LEU 75 Cb 0.02 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1hab h LEU 75 CO -0.03 0.21 -0.22 0.00 -0.62 0.00 0.00 178.44 177.78 1hab h ALA 76 N 1.67 1.47 -1.18 1.25 0.00 0.50 -3.26 119.26 119.71 1hab h ALA 76 Ca 0.59 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 54.73 1hab h ALA 76 Cb 0.98 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 18.31 1hab h ALA 76 CO -0.42 0.27 -0.77 0.72 0.00 0.00 0.00 179.25 179.05 1hab n HIS 77 N -4.04 3.10 -0.33 0.00 8.25 0.22 -4.80 115.22 117.62 1hab n HIS 77 Ca -0.02 -2.72 0.18 0.00 -0.26 0.00 0.00 57.72 54.90 1hab n HIS 77 Cb 0.29 -0.20 0.38 0.00 1.12 0.00 0.00 29.99 31.59 1hab n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hab h LEU 78 N 2.41 0.50 -1.23 2.41 3.38 -1.54 0.32 115.31 121.56 1hab h LEU 78 Ca 0.33 0.16 0.20 0.00 0.09 0.00 0.00 57.88 58.66 1hab h LEU 78 Cb 1.19 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.96 1hab h LEU 78 CO 0.81 -0.01 0.62 -2.24 0.09 0.00 0.00 178.44 177.71 1hab h ASP 79 N 0.44 0.61 -1.87 -0.43 3.04 -1.87 -2.86 116.42 113.49 1hab h ASP 79 Ca 0.64 0.08 -0.52 0.00 -3.24 0.00 0.00 57.03 53.99 1hab h ASP 79 Cb 1.30 -0.03 -0.35 0.00 -1.04 0.00 0.00 39.33 39.20 1hab h ASP 79 CO -0.54 0.22 -0.98 -3.20 -2.04 0.00 0.00 179.24 172.70 1hab n ASN 80 N -4.65 -0.51 0.00 4.15 5.15 0.11 -4.87 115.26 114.63 1hab n ASN 80 Ca 0.22 -2.66 -0.11 0.00 -0.60 0.00 0.00 54.58 51.43 1hab n ASN 80 Cb 0.65 -0.25 -0.06 0.00 -0.53 0.00 0.00 39.78 39.60 1hab n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1hab h LEU 81 N 4.55 0.10 -0.91 1.20 4.07 -1.52 -3.19 115.31 119.61 1hab h LEU 81 Ca 0.11 -0.02 0.18 0.00 0.08 0.00 0.00 57.88 58.23 1hab h LEU 81 Cb 0.92 -0.02 -0.17 0.00 1.08 0.00 0.00 40.66 42.46 1hab h LEU 81 CO 0.40 0.09 -0.24 0.50 -1.08 0.00 0.00 178.44 178.10 1hab h LYS 82 N 0.10 -0.01 -0.08 1.13 3.11 -1.92 0.25 116.57 119.15 1hab h LYS 82 Ca 0.03 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.90 1hab h LYS 82 Cb 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.21 1hab h LYS 82 CO -0.01 -0.00 -0.08 0.78 -2.81 0.00 0.00 179.45 177.33 1hab h GLY 83 N -0.01 -0.02 0.37 5.01 0.00 -1.96 -2.30 103.07 104.16 1hab h GLY 83 Ca 0.42 0.10 0.13 0.00 0.00 0.00 0.00 47.33 47.98 1hab h GLY 83 CO -0.93 -0.09 0.51 -0.84 0.00 0.00 0.00 176.54 175.19 1hab h THR 84 N -0.10 0.83 -0.51 4.70 2.02 -0.52 -3.02 112.91 116.31 1hab h THR 84 Ca 0.06 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1hab h THR 84 Cb 0.18 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1hab h THR 84 CO -0.14 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.38 1hab n PHE 85 N -4.76 1.40 -0.09 3.16 3.72 -0.83 -4.69 117.46 115.36 1hab n PHE 85 Ca 0.17 -0.69 -0.09 0.00 -0.05 0.00 0.00 57.45 56.79 1hab n PHE 85 Cb 0.38 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 1hab n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hab h ALA 86 N 3.31 -0.61 0.00 4.37 0.00 -1.29 0.36 119.26 125.40 1hab h ALA 86 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hab h ALA 86 Cb 1.50 0.98 -0.00 0.00 0.00 0.00 0.00 17.79 20.27 1hab h ALA 86 CO 0.27 -0.78 -0.00 1.79 0.00 0.00 0.00 179.25 180.53 1hab h THR 87 N -0.26 0.02 0.40 0.00 1.35 -1.86 -2.97 112.91 109.60 1hab h THR 87 Ca 0.05 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 1hab h THR 87 Cb 0.38 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1hab h THR 87 CO -0.38 0.00 -0.19 -0.07 -0.25 0.00 0.00 175.52 174.63 1hab h LEU 88 N 0.00 -0.46 -0.94 3.87 -0.00 -1.29 -2.53 115.31 113.96 1hab h LEU 88 Ca -0.00 -0.03 0.29 0.00 -0.00 0.00 0.00 57.88 58.14 1hab h LEU 88 Cb 0.21 0.12 -0.16 0.00 -0.00 0.00 0.00 40.66 40.83 1hab h LEU 88 CO 0.00 -0.02 0.28 -1.28 -0.00 0.00 0.00 178.44 177.43 1hab h SER 89 N -1.11 0.01 0.31 -0.43 0.87 -1.11 0.41 113.55 112.50 1hab h SER 89 Ca -0.06 0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1hab h SER 89 Cb 0.46 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1hab h SER 89 CO 0.09 -0.25 -0.18 -0.33 -0.53 0.00 0.00 176.83 175.63 1hab h GLU 90 N 0.14 -0.44 -0.42 2.24 5.08 -1.55 0.97 114.58 120.60 1hab h GLU 90 Ca 0.64 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 59.12 1hab h GLU 90 Cb 1.42 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.67 1hab h GLU 90 CO -0.73 -0.29 -0.24 1.25 -1.00 0.00 0.00 179.01 178.00 1hab h LEU 91 N -0.45 -0.81 0.55 1.33 6.46 -0.89 0.69 115.31 122.19 1hab h LEU 91 Ca -0.04 0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1hab h LEU 91 Cb 0.36 0.42 0.01 0.00 -0.73 0.00 0.00 40.66 40.71 1hab h LEU 91 CO 0.05 -0.26 -0.27 0.45 -0.62 0.00 0.00 178.44 177.79 1hab h HIS 92 N -0.16 -0.69 0.13 1.25 3.86 -0.88 0.64 115.15 119.31 1hab h HIS 92 Ca 0.20 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1hab h HIS 92 Cb 0.47 0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1hab h HIS 92 CO -0.48 -0.43 -0.06 0.00 0.86 0.00 0.00 177.93 177.82 1hab h ASP 94 N -0.73 -0.48 0.07 0.00 5.19 0.31 -3.06 116.42 117.71 1hab h ASP 94 Ca -0.02 -0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.22 1hab h ASP 94 Cb 0.53 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1hab h ASP 94 CO 0.03 -0.05 -0.63 0.11 -3.12 0.00 0.00 179.24 175.58 1hab h LYS 95 N -1.11 0.15 0.00 3.56 1.79 0.02 -3.38 116.57 117.61 1hab h LYS 95 Ca -0.06 -0.25 -0.17 0.00 -2.18 0.00 0.00 60.65 57.99 1hab h LYS 95 Cb 0.49 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 1hab h LYS 95 CO 0.10 1.12 -0.89 -0.07 -1.08 0.00 0.00 179.45 178.63 1hab h LEU 96 N -0.67 0.00 -1.97 2.94 3.38 0.24 -3.48 115.31 115.74 1hab h LEU 96 Ca -0.13 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.54 1hab h LEU 96 Cb 1.38 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.31 1hab h LEU 96 CO 0.04 0.75 -0.81 1.41 0.09 0.00 0.00 178.44 179.93 1hab n HIS 97 N -3.23 -2.30 -3.27 1.13 8.25 0.73 -4.96 115.22 111.57 1hab n HIS 97 Ca -0.01 0.91 -0.38 0.00 -0.26 0.00 0.00 57.72 57.97 1hab n HIS 97 Cb 0.85 -4.70 -0.06 0.00 1.12 0.00 0.00 29.99 27.21 1hab n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hab s VAL 98 N -3.37 5.08 0.29 1.59 1.01 -0.17 -5.00 120.40 119.83 1hab s VAL 98 Ca 0.18 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1hab s VAL 98 Cb -0.02 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 1hab s VAL 98 CO 0.73 0.36 1.52 -0.62 0.00 0.00 0.00 175.10 177.09 1hab s ASP 99 N 0.28 6.48 0.50 3.32 -1.08 -1.26 -4.70 116.67 120.20 1hab s ASP 99 Ca 0.28 2.86 0.23 0.00 -0.52 0.00 0.00 52.55 55.40 1hab s ASP 99 Cb -0.16 -2.64 1.31 0.00 -1.46 0.00 0.00 42.92 39.97 1hab s ASP 99 CO 0.13 -0.82 2.06 1.55 0.52 0.00 0.00 175.17 178.61 1hab h PRO 100 N 4.59 0.00 0.00 4.34 0.13 -1.98 0.85 132.00 139.92 1hab h PRO 100 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1hab h PRO 100 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1hab h PRO 100 CO 0.76 0.13 -0.11 1.49 -0.23 0.00 0.00 178.00 180.04 1hab h GLU 101 N 0.00 0.00 -0.48 0.86 4.57 -2.00 -0.68 114.58 116.86 1hab h GLU 101 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 1hab h GLU 101 Cb 0.30 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1hab h GLU 101 CO 0.02 0.11 -0.05 -0.91 -1.18 0.00 0.00 179.01 177.00 1hab h ASN 102 N 0.00 0.80 -0.93 1.04 2.35 -1.18 0.17 115.58 117.82 1hab h ASN 102 Ca -0.00 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1hab h ASN 102 Cb 0.24 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 1hab h ASN 102 CO 0.01 0.89 0.61 -0.26 -1.65 0.00 0.00 177.43 177.04 1hab h PHE 103 N 0.76 1.15 -0.92 1.19 0.04 -1.20 0.72 116.94 118.68 1hab h PHE 103 Ca 0.14 0.03 0.08 0.00 2.80 0.00 0.00 57.97 61.01 1hab h PHE 103 Cb 0.52 -0.39 -0.07 0.00 2.20 0.00 0.00 35.95 38.22 1hab h PHE 103 CO 0.03 0.69 0.57 -0.09 -0.60 0.00 0.00 178.31 178.91 1hab h ARG 104 N 1.22 0.98 0.07 1.51 9.65 -0.60 -2.51 114.38 124.70 1hab h ARG 104 Ca 0.36 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1hab h ARG 104 Cb -0.07 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.29 1hab h ARG 104 CO -0.10 0.65 -0.04 -0.07 2.80 0.00 0.00 179.97 183.21 1hab h LEU 105 N 1.01 -0.08 -0.77 3.80 3.38 0.34 -2.71 115.31 120.27 1hab h LEU 105 Ca 0.41 -0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.46 1hab h LEU 105 Cb 0.25 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 40.90 1hab h LEU 105 CO -0.20 0.05 0.19 0.25 0.09 0.00 0.00 178.44 178.82 1hab h LEU 106 N -0.21 0.01 -1.12 1.67 5.85 -0.74 0.75 115.31 121.53 1hab h LEU 106 Ca -0.01 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1hab h LEU 106 Cb 0.18 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1hab h LEU 106 CO 0.02 -0.06 0.60 1.23 -0.34 0.00 0.00 178.44 179.88 1hab h GLY 107 N 0.26 1.32 1.46 3.75 0.00 -1.14 -0.15 103.07 108.56 1hab h GLY 107 Ca 0.45 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 1hab h GLY 107 CO -0.54 0.36 -0.98 3.43 0.00 0.00 0.00 176.54 178.80 1hab h ASN 108 N 1.11 0.63 -0.54 0.19 -0.26 -0.78 -0.18 115.58 115.76 1hab h ASN 108 Ca 0.37 -0.51 -0.07 0.00 -0.56 0.00 0.00 56.30 55.53 1hab h ASN 108 Cb 0.07 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1hab h ASN 108 CO -0.12 1.32 0.09 -0.37 -1.06 0.00 0.00 177.43 177.28 1hab h VAL 109 N 0.27 1.25 -0.92 2.81 -1.51 -0.77 0.33 116.25 117.70 1hab h VAL 109 Ca -0.10 -0.97 0.10 0.00 -1.23 0.00 0.00 66.70 64.51 1hab h VAL 109 Cb 1.63 0.71 -0.08 0.00 -2.13 0.00 0.00 31.29 31.42 1hab h VAL 109 CO 0.18 0.36 0.56 0.25 -1.23 0.00 0.00 177.57 177.69 1hab h LEU 110 N 0.89 0.83 -0.10 4.19 5.85 -0.73 0.12 115.31 126.36 1hab h LEU 110 Ca 0.18 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1hab h LEU 110 Cb 0.40 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1hab h LEU 110 CO 0.01 0.47 0.03 0.58 -0.34 0.00 0.00 178.44 179.18 1hab h VAL 111 N 0.93 1.19 -0.87 1.05 2.07 0.30 -0.88 116.25 120.03 1hab h VAL 111 Ca 0.45 -0.57 0.15 0.00 0.82 0.00 0.00 66.70 67.55 1hab h VAL 111 Cb 0.39 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 1hab h VAL 111 CO -0.25 0.16 0.56 0.00 0.02 0.00 0.00 177.57 178.07 1hab h VAL 113 N 0.61 1.32 -0.78 0.00 2.07 0.43 0.34 116.25 120.24 1hab h VAL 113 Ca 0.44 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.83 1hab h VAL 113 Cb 0.79 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1hab h VAL 113 CO -0.19 0.36 0.44 -0.07 0.02 0.00 0.00 177.57 178.14 1hab h LEU 114 N 0.09 0.64 -0.81 2.57 3.38 -0.63 0.56 115.31 121.12 1hab h LEU 114 Ca 0.04 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1hab h LEU 114 Cb 0.62 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1hab h LEU 114 CO 0.03 0.38 0.35 0.00 0.09 0.00 0.00 178.44 179.30 1hab h ALA 115 N 1.43 1.04 -0.72 1.53 0.00 -0.86 0.18 119.26 121.85 1hab h ALA 115 Ca 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1hab h ALA 115 Cb 0.31 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1hab h ALA 115 CO -0.23 0.64 0.28 1.25 0.00 0.00 0.00 179.25 181.19 1hab h HIS 116 N 1.16 1.11 0.06 0.00 -0.00 0.21 -1.24 115.15 116.44 1hab h HIS 116 Ca 0.27 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1hab h HIS 116 Cb 0.17 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1hab h HIS 116 CO 0.02 0.86 -0.03 0.45 -0.00 0.00 0.00 177.93 179.23 1hab h HIS 117 N 1.04 -0.07 -0.00 5.26 -0.00 0.35 -3.35 115.15 118.38 1hab h HIS 117 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1hab h HIS 117 Cb 0.23 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1hab h HIS 117 CO 0.02 0.53 -0.17 1.19 -0.00 0.00 0.00 177.93 179.50 1hab n PHE 118 N -4.80 0.00 0.00 2.45 3.72 0.58 -5.01 117.46 114.40 1hab n PHE 118 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1hab n PHE 118 Cb 0.31 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1hab n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hab n GLY 119 N 1.42 3.33 0.30 1.37 0.00 -0.47 -1.72 105.19 109.41 1hab n GLY 119 Ca 0.09 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1hab n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hab h LYS 120 N 0.00 0.00 0.00 1.61 6.56 -1.95 0.34 116.57 123.13 1hab h LYS 120 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1hab h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1hab h LYS 120 CO 0.00 0.00 -0.00 0.93 -2.06 0.00 0.00 179.45 178.32 1hab h GLU 121 N 0.00 0.00 -4.66 3.15 5.08 -1.73 -3.31 114.58 113.11 1hab h GLU 121 Ca 0.01 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.64 1hab h GLU 121 Cb 0.05 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.10 1hab h GLU 121 CO -0.00 0.00 0.85 0.12 -1.00 0.00 0.00 179.01 178.99 1hab s PHE 122 N -4.67 3.42 0.40 4.33 5.36 0.12 -4.98 117.98 121.96 1hab s PHE 122 Ca -0.05 -1.81 -0.11 0.00 -0.96 0.00 0.00 56.93 54.01 1hab s PHE 122 Cb 0.15 -4.19 -0.06 0.00 -0.34 0.00 0.00 43.02 38.58 1hab s PHE 122 CO 0.56 -1.35 0.77 0.95 -1.46 0.00 0.00 175.22 174.69 1hab s THR 123 N 1.67 4.78 0.29 0.12 -4.23 -1.25 -4.81 115.64 112.22 1hab s THR 123 Ca 0.33 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 61.42 1hab s THR 123 Cb -0.05 -3.73 0.43 0.00 1.34 0.00 0.00 72.50 70.49 1hab s THR 123 CO -0.06 -0.51 1.57 -0.65 -0.54 0.00 0.00 174.62 174.42 1hab h PRO 124 N 1.29 0.00 -0.42 3.99 0.11 -1.94 1.78 132.00 136.81 1hab h PRO 124 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1hab h PRO 124 Cb 1.19 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1hab h PRO 124 CO 0.64 0.00 0.14 -1.35 -0.21 0.00 0.00 178.00 177.22 1hab h PRO 125 N 0.01 0.65 -0.67 1.05 0.11 -1.98 0.82 132.00 131.98 1hab h PRO 125 Ca 0.51 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 1hab h PRO 125 Cb 0.89 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1hab h PRO 125 CO -0.97 0.63 0.21 0.28 -0.21 0.00 0.00 178.00 177.94 1hab h VAL 126 N 0.54 1.25 -0.79 3.15 2.07 0.03 0.08 116.25 122.59 1hab h VAL 126 Ca 0.14 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1hab h VAL 126 Cb 0.24 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1hab h VAL 126 CO -0.01 0.33 0.52 -0.61 0.02 0.00 0.00 177.57 177.82 1hab h GLN 127 N 0.97 1.01 0.03 1.57 4.15 0.32 -0.58 115.11 122.59 1hab h GLN 127 Ca 0.22 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.60 1hab h GLN 127 Cb 0.29 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1hab h GLN 127 CO -0.01 0.67 -0.20 0.00 -1.93 0.00 0.00 178.83 177.36 1hab h ALA 128 N 1.30 -0.28 -0.76 3.38 0.00 0.15 0.22 119.26 123.28 1hab h ALA 128 Ca 0.30 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.34 1hab h ALA 128 Cb -0.08 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1hab h ALA 128 CO -0.08 -0.70 0.32 0.00 0.00 0.00 0.00 179.25 178.79 1hab h ALA 129 N 0.53 1.07 -0.22 0.00 0.00 0.04 -0.80 119.26 119.88 1hab h ALA 129 Ca 0.05 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1hab h ALA 129 Cb 0.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1hab h ALA 129 CO -0.16 -0.18 -0.60 1.88 0.00 0.00 0.00 179.25 180.19 1hab h TYR 130 N 0.48 0.95 -1.01 0.00 0.05 -0.58 -1.34 116.97 115.52 1hab h TYR 130 Ca 0.41 -0.36 0.23 0.00 0.05 0.00 0.00 58.73 59.06 1hab h TYR 130 Cb 0.60 -0.17 -0.11 0.00 1.01 0.00 0.00 36.73 38.06 1hab h TYR 130 CO -0.15 1.16 0.62 1.96 -1.05 0.00 0.00 178.16 180.69 1hab h GLN 131 N 0.55 0.59 -0.15 4.88 1.08 0.74 2.11 115.11 124.92 1hab h GLN 131 Ca -0.00 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.00 1hab h GLN 131 Cb 1.20 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1hab h GLN 131 CO 0.12 0.39 -0.59 1.57 -0.95 0.00 0.00 178.83 179.37 1hab h LYS 132 N 0.61 0.49 -0.67 1.46 2.10 -0.11 -2.52 116.57 117.93 1hab h LYS 132 Ca 0.60 -0.33 -0.03 0.00 -2.00 0.00 0.00 60.65 58.89 1hab h LYS 132 Cb 1.15 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.50 1hab h LYS 132 CO -0.39 0.94 0.29 0.28 -2.00 0.00 0.00 179.45 178.57 1hab h VAL 133 N 0.37 1.23 -0.27 0.07 2.07 0.34 -1.50 116.25 118.56 1hab h VAL 133 Ca -0.00 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1hab h VAL 133 Cb 1.13 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1hab h VAL 133 CO 0.11 0.28 0.15 0.58 0.02 0.00 0.00 177.57 178.71 1hab h VAL 134 N 0.93 1.12 -0.28 2.57 2.07 0.21 -0.25 116.25 122.62 1hab h VAL 134 Ca 0.23 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1hab h VAL 134 Cb 0.17 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1hab h VAL 134 CO -0.02 0.12 0.13 0.00 0.02 0.00 0.00 177.57 177.81 1hab h ALA 135 N 1.03 0.36 -0.63 1.67 0.00 -1.28 0.00 119.26 120.42 1hab h ALA 135 Ca 0.09 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1hab h ALA 135 Cb 0.06 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.63 1hab h ALA 135 CO -0.02 -0.06 -0.02 0.78 0.00 0.00 0.00 179.25 179.94 1hab h GLY 136 N 0.32 0.65 0.86 0.00 0.00 -0.79 0.20 103.07 104.30 1hab h GLY 136 Ca 0.10 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1hab h GLY 136 CO -0.01 -0.21 -0.20 -2.08 0.00 0.00 0.00 176.54 174.04 1hab h VAL 137 N 0.10 0.58 -0.82 4.60 2.07 -0.70 -1.88 116.25 120.20 1hab h VAL 137 Ca 0.33 -0.26 0.17 0.00 0.82 0.00 0.00 66.70 67.76 1hab h VAL 137 Cb 0.53 0.70 -0.15 0.00 -1.52 0.00 0.00 31.29 30.85 1hab h VAL 137 CO -0.55 0.05 -0.15 0.00 0.02 0.00 0.00 177.57 176.93 1hab h ALA 138 N -0.20 0.63 -0.78 1.67 0.00 -0.05 0.12 119.26 120.65 1hab h ALA 138 Ca -0.06 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1hab h ALA 138 Cb 0.51 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1hab h ALA 138 CO 0.09 -0.42 0.44 -0.91 0.00 0.00 0.00 179.25 178.46 1hab h ASN 139 N 0.02 0.95 -0.47 0.00 2.35 -0.45 -1.94 115.58 116.05 1hab h ASN 139 Ca 0.41 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 56.10 1hab h ASN 139 Cb 0.67 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1hab h ASN 139 CO -0.82 0.76 0.27 0.00 -1.65 0.00 0.00 177.43 176.00 1hab h ALA 140 N 1.23 0.59 0.00 -0.83 0.00 0.04 -2.09 119.26 118.20 1hab h ALA 140 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1hab h ALA 140 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1hab h ALA 140 CO -0.05 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1hab n LEU 141 N -4.83 0.60 0.01 0.00 4.77 -0.61 -2.69 117.00 114.25 1hab n LEU 141 Ca 0.03 0.66 -0.22 0.00 -0.03 0.00 0.00 56.01 56.45 1hab n LEU 141 Cb 0.07 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.44 1hab n LEU 141 CO 0.32 -0.56 -0.46 0.00 -1.33 0.00 0.00 177.39 175.36 1hab h ALA 142 N 2.26 0.19 0.00 -1.18 0.00 -0.92 -3.35 119.26 116.26 1hab h ALA 142 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1hab h ALA 142 Cb 0.33 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1hab h ALA 142 CO 0.00 0.87 0.00 1.58 0.00 0.00 0.00 179.25 181.70 1hab n HIS 143 N -3.88 0.00 -0.11 0.00 -0.00 -0.87 0.93 115.22 111.28 1hab n HIS 143 Ca -0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.43 1hab n HIS 143 Cb 0.92 -0.25 0.01 0.00 -0.00 0.00 0.00 29.99 30.67 1hab n HIS 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1hab n LYS 144 N -1.99 1.15 0.00 1.57 4.76 -1.26 0.20 118.16 122.60 1hab n LYS 144 Ca 0.00 -0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 1hab n LYS 144 Cb 0.00 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1hab n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1hab n TYR 145 N 0.95 0.00 -0.77 2.13 4.01 0.26 -4.50 117.16 119.24 1hab n TYR 145 Ca 0.06 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1hab n TYR 145 Cb 0.55 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1hab n TYR 145 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98