#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hco n HIS 2 N 0.00 -1.15 -1.75 1.45 -0.00 -1.26 -5.12 115.22 107.39 1hco n HIS 2 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1hco n HIS 2 Cb 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 1hco n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hco n LEU 3 N -2.16 -3.22 -4.79 0.27 7.99 -1.26 -4.76 117.00 109.07 1hco n LEU 3 Ca 0.00 2.19 -0.37 0.00 -0.01 0.00 0.00 56.01 57.82 1hco n LEU 3 Cb 0.00 -2.39 -0.06 0.00 -0.11 0.00 0.00 43.42 40.86 1hco n LEU 3 CO 0.00 -0.62 0.05 0.42 -1.51 0.00 0.00 177.39 175.73 1hco s THR 4 N -1.08 5.19 0.00 -5.08 -4.23 -1.26 -4.72 115.64 104.46 1hco s THR 4 Ca 0.00 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1hco s THR 4 Cb 0.00 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1hco s THR 4 CO 0.00 0.48 0.00 -0.81 -0.54 0.00 0.00 174.62 173.75 1hco n PRO 5 N 2.71 0.00 0.00 3.99 -0.04 -1.26 0.41 135.00 140.81 1hco n PRO 5 Ca -0.13 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 1hco n PRO 5 Cb 0.52 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.06 1hco n PRO 5 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1hco n GLU 6 N -2.56 0.29 -0.01 0.54 0.28 -1.26 -2.37 120.64 115.54 1hco n GLU 6 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1hco n GLU 6 Cb 0.00 -1.14 -0.01 0.00 1.43 0.00 0.00 31.44 31.72 1hco n GLU 6 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1hco n GLU 7 N -0.64 0.14 -0.01 3.44 1.02 1.37 -4.45 120.64 121.51 1hco n GLU 7 Ca 0.02 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1hco n GLU 7 Cb 0.01 -0.63 0.01 0.00 -0.02 0.00 0.00 31.44 30.81 1hco n GLU 7 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1hco n LYS 8 N -3.29 -0.00 0.21 3.49 4.76 -0.75 0.22 118.16 122.80 1hco n LYS 8 Ca -0.04 0.04 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1hco n LYS 8 Cb 0.14 -0.06 0.16 0.00 -1.84 0.00 0.00 35.03 33.43 1hco n LYS 8 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1hco h SER 9 N 0.00 0.00 0.53 4.39 4.64 -1.71 -1.06 113.55 120.34 1hco h SER 9 Ca 0.01 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.04 1hco h SER 9 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1hco h SER 9 CO -0.02 0.03 -1.38 0.00 -0.87 0.00 0.00 176.83 174.59 1hco h ALA 10 N 1.97 0.14 0.59 5.18 0.00 -0.45 -2.78 119.26 123.91 1hco h ALA 10 Ca -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 54.91 53.91 1hco h ALA 10 Cb 1.02 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1hco h ALA 10 CO 0.00 1.02 -0.29 0.28 0.00 0.00 0.00 179.25 180.27 1hco h VAL 11 N 0.08 0.00 -0.79 0.00 2.07 -1.50 -3.12 116.25 112.99 1hco h VAL 11 Ca -0.19 -0.36 0.22 0.00 0.82 0.00 0.00 66.70 67.19 1hco h VAL 11 Cb 2.01 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1hco h VAL 11 CO 0.19 0.00 0.56 0.74 0.02 0.00 0.00 177.57 179.08 1hco h THR 12 N -1.16 0.63 -0.42 2.57 2.02 -1.31 -2.54 112.91 112.70 1hco h THR 12 Ca -0.08 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1hco h THR 12 Cb 0.61 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1hco h THR 12 CO 0.13 0.01 0.00 0.00 0.37 0.00 0.00 175.52 176.04 1hco n ALA 13 N -2.66 2.72 -0.02 6.16 0.00 -1.05 -4.00 120.51 121.66 1hco n ALA 13 Ca 0.16 -0.91 -0.04 0.00 0.00 0.00 0.00 53.44 52.65 1hco n ALA 13 Cb 0.81 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 1hco n ALA 13 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hco n LEU 14 N 0.68 1.53 -0.46 0.00 0.00 -0.97 -4.75 117.00 113.03 1hco n LEU 14 Ca 0.16 0.23 0.34 0.00 0.00 0.00 0.00 56.01 56.74 1hco n LEU 14 Cb 0.52 -0.54 0.53 0.00 0.00 0.00 0.00 43.42 43.93 1hco n LEU 14 CO 0.13 -0.52 0.96 1.87 0.00 0.00 0.00 177.39 179.84 1hco n TRP 15 N -3.98 0.03 -0.72 1.96 -0.00 -1.15 0.66 117.44 114.24 1hco n TRP 15 Ca -0.07 0.03 0.08 0.00 -0.00 0.00 0.00 57.50 57.54 1hco n TRP 15 Cb 0.26 -0.36 0.34 0.00 -0.00 0.00 0.00 31.31 31.55 1hco n TRP 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1hco n GLY 16 N -1.59 3.02 0.10 5.87 0.00 -1.26 -2.06 105.19 109.27 1hco n GLY 16 Ca 0.29 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.48 1hco n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hco n LYS 17 N 0.71 3.30 -2.73 1.61 5.02 0.21 -4.94 118.16 121.34 1hco n LYS 17 Ca 0.25 -0.28 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 1hco n LYS 17 Cb 0.94 -0.94 -0.03 0.00 -0.02 0.00 0.00 35.03 34.97 1hco n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hco s VAL 18 N -1.44 4.29 -0.05 -0.18 1.01 -0.87 -4.96 120.40 118.20 1hco s VAL 18 Ca 0.05 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 1hco s VAL 18 Cb 0.06 -4.57 -0.08 0.00 0.00 0.00 0.00 36.38 31.80 1hco s VAL 18 CO 0.25 -1.08 1.46 -3.20 0.00 0.00 0.00 175.10 172.54 1hco n ASN 19 N 7.68 1.69 0.00 3.32 2.85 -1.26 -4.83 115.26 124.72 1hco n ASN 19 Ca 0.06 -1.83 0.00 0.00 -0.11 0.00 0.00 54.58 52.70 1hco n ASN 19 Cb 0.48 -0.47 0.00 0.00 1.24 0.00 0.00 39.78 41.04 1hco n ASN 19 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1hco n VAL 20 N 3.02 0.00 0.15 3.44 0.24 -1.26 -0.36 118.33 123.56 1hco n VAL 20 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1hco n VAL 20 Cb 0.26 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.65 1hco n VAL 20 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1hco n ASP 21 N -0.44 0.02 -0.42 -1.34 9.92 -1.26 0.28 116.55 123.31 1hco n ASP 21 Ca 0.00 0.25 0.05 0.00 -0.53 0.00 0.00 54.79 54.56 1hco n ASP 21 Cb 0.00 -0.03 0.07 0.00 -0.64 0.00 0.00 41.12 40.52 1hco n ASP 21 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1hco n GLU 22 N -1.72 0.60 0.01 -1.24 -0.58 0.51 -4.60 120.64 113.62 1hco n GLU 22 Ca -0.00 -1.85 0.00 0.00 -0.42 0.00 0.00 57.16 54.89 1hco n GLU 22 Cb 0.71 -0.92 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 1hco n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1hco n VAL 23 N -0.59 0.14 -0.20 2.62 0.31 0.14 -4.35 118.33 116.40 1hco n VAL 23 Ca 0.08 0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.49 1hco n VAL 23 Cb 0.71 -1.23 0.08 0.00 -0.91 0.00 0.00 33.84 32.50 1hco n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hco n GLY 24 N 2.64 -0.90 1.28 2.92 0.00 0.14 -0.74 105.19 110.53 1hco n GLY 24 Ca 0.00 0.58 0.11 0.00 0.00 0.00 0.00 46.02 46.71 1hco n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hco n GLY 25 N -1.34 2.22 0.10 -0.02 0.00 -1.26 -3.44 105.19 101.45 1hco n GLY 25 Ca 0.09 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1hco n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1hco n GLU 26 N 1.54 0.62 0.12 1.61 0.00 0.08 -2.63 120.64 121.99 1hco n GLU 26 Ca 0.23 0.14 -0.20 0.00 0.00 0.00 0.00 57.16 57.33 1hco n GLU 26 Cb 0.59 -1.79 -0.15 0.00 0.00 0.00 0.00 31.44 30.09 1hco n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hco h ALA 27 N 1.72 -0.02 0.13 4.31 0.00 -1.52 -1.76 119.26 122.11 1hco h ALA 27 Ca -0.09 -0.89 -0.28 0.00 0.00 0.00 0.00 54.91 53.66 1hco h ALA 27 Cb 1.29 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1hco h ALA 27 CO 0.02 0.85 -1.31 1.25 0.00 0.00 0.00 179.25 180.06 1hco h LEU 28 N 0.11 0.43 0.00 0.00 7.12 -1.69 -2.89 115.31 118.39 1hco h LEU 28 Ca -0.20 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.33 1hco h LEU 28 Cb 2.07 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 42.07 1hco h LEU 28 CO 0.24 1.38 0.00 0.61 -0.13 0.00 0.00 178.44 180.54 1hco n GLY 29 N 1.56 -2.72 0.10 3.75 0.00 -1.08 -2.11 105.19 104.70 1hco n GLY 29 Ca -0.10 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1hco n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hco n ARG 30 N -0.46 0.01 0.03 1.61 3.00 -0.66 -0.97 116.66 119.21 1hco n ARG 30 Ca 0.00 0.29 -0.17 0.00 -0.01 0.00 0.00 57.85 57.96 1hco n ARG 30 Cb 0.00 -2.01 -0.14 0.00 0.00 0.00 0.00 32.46 30.31 1hco n ARG 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1hco h LEU 31 N 0.00 0.33 0.00 0.55 5.85 -1.20 -2.48 115.31 118.37 1hco h LEU 31 Ca 0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1hco h LEU 31 Cb 1.22 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1hco h LEU 31 CO 0.00 1.49 -0.13 0.18 -0.34 0.00 0.00 178.44 179.64 1hco n LEU 32 N -3.39 0.13 -0.11 2.25 4.77 -0.15 -0.93 117.00 119.58 1hco n LEU 32 Ca -0.21 0.37 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 1hco n LEU 32 Cb 1.05 -0.44 -0.11 0.00 -2.33 0.00 0.00 43.42 41.59 1hco n LEU 32 CO 0.48 0.03 -1.11 0.52 -1.33 0.00 0.00 177.39 175.98 1hco n VAL 33 N -1.50 1.56 0.07 4.08 0.31 -1.20 -3.94 118.33 117.71 1hco n VAL 33 Ca 0.07 -0.39 -0.21 0.00 -0.01 0.00 0.00 64.34 63.80 1hco n VAL 33 Cb 0.34 -1.79 -0.14 0.00 -0.91 0.00 0.00 33.84 31.34 1hco n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1hco h VAL 34 N -0.59 1.41 -2.30 2.52 2.07 -1.53 -3.39 116.25 114.44 1hco h VAL 34 Ca -0.55 -2.48 -0.63 0.00 0.82 0.00 0.00 66.70 63.86 1hco h VAL 34 Cb 1.68 2.98 -0.40 0.00 -1.52 0.00 0.00 31.29 34.03 1hco h VAL 34 CO -0.21 0.72 -0.41 -1.22 0.02 0.00 0.00 177.57 176.47 1hco n TYR 35 N -3.99 3.48 -0.45 1.57 4.01 -0.10 -5.01 117.16 116.67 1hco n TYR 35 Ca -0.14 -3.96 0.40 0.00 -0.16 0.00 0.00 57.90 54.04 1hco n TYR 35 Cb 0.89 -0.65 0.64 0.00 -0.31 0.00 0.00 39.34 39.91 1hco n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hco h PRO 36 N 4.35 0.00 -0.27 -0.72 0.13 -1.71 -2.64 132.00 131.14 1hco h PRO 36 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1hco h PRO 36 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1hco h PRO 36 CO 0.90 0.00 0.15 0.11 -0.23 0.00 0.00 178.00 178.93 1hco h TRP 37 N 0.00 0.35 0.00 1.56 0.09 -1.91 0.10 115.95 116.14 1hco h TRP 37 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.68 1hco h TRP 37 Cb 3.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.16 32.39 1hco h TRP 37 CO 0.00 0.25 0.26 1.79 0.09 0.00 0.00 178.44 180.82 1hco h THR 38 N 0.37 0.00 -0.65 0.12 1.35 -1.79 0.57 112.91 112.88 1hco h THR 38 Ca 0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.88 1hco h THR 38 Cb 0.01 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 67.08 1hco h THR 38 CO -0.02 0.00 0.13 1.56 -0.25 0.00 0.00 175.52 176.94 1hco h GLN 39 N 0.00 1.07 -1.05 4.72 4.20 -1.02 -2.79 115.11 120.24 1hco h GLN 39 Ca 0.00 -0.28 0.41 0.00 0.06 0.00 0.00 58.65 58.84 1hco h GLN 39 Cb 0.51 -0.13 -0.15 0.00 0.30 0.00 0.00 27.48 28.01 1hco h GLN 39 CO 0.00 0.98 0.61 -2.13 -0.67 0.00 0.00 178.83 177.62 1hco n ARG 40 N -4.26 -0.05 -0.01 1.46 0.63 0.19 0.07 116.66 114.70 1hco n ARG 40 Ca 0.04 1.23 0.14 0.00 -0.92 0.00 0.00 57.85 58.33 1hco n ARG 40 Cb 0.27 -2.28 0.62 0.00 0.45 0.00 0.00 32.46 31.52 1hco n ARG 40 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1hco n PHE 41 N -4.88 0.03 -2.53 -0.14 3.01 -1.05 -4.23 117.46 107.66 1hco n PHE 41 Ca 0.36 -0.01 -0.14 0.00 1.01 0.00 0.00 57.45 58.66 1hco n PHE 41 Cb 1.28 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.78 1hco n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1hco n PHE 42 N -0.17 2.06 1.27 1.38 3.01 0.11 -4.70 117.46 120.41 1hco n PHE 42 Ca 0.20 -2.59 0.13 0.00 1.01 0.00 0.00 57.45 56.20 1hco n PHE 42 Cb 0.27 -0.26 0.39 0.00 -0.01 0.00 0.00 39.48 39.87 1hco n PHE 42 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1hco n GLU 43 N -0.43 0.91 0.09 -1.08 1.02 -1.24 -1.61 120.64 118.30 1hco n GLU 43 Ca 0.23 -0.53 0.12 0.00 -0.02 0.00 0.00 57.16 56.95 1hco n GLU 43 Cb 0.81 -1.49 0.45 0.00 -0.02 0.00 0.00 31.44 31.19 1hco n GLU 43 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1hco n SER 44 N -0.58 0.55 -0.11 1.62 3.41 -1.26 -4.37 113.62 112.88 1hco n SER 44 Ca 0.13 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 1hco n SER 44 Cb 0.35 -0.73 0.39 0.00 -0.26 0.00 0.00 64.21 63.96 1hco n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1hco n PHE 45 N -2.08 0.00 0.00 7.33 0.99 -0.63 -5.14 117.46 117.94 1hco n PHE 45 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1hco n PHE 45 Cb 0.27 -0.21 0.00 0.00 -1.00 0.00 0.00 39.48 38.54 1hco n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1hco n GLY 46 N 1.40 0.55 3.71 1.37 0.00 -1.26 -4.87 105.19 106.09 1hco n GLY 46 Ca 0.10 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1hco n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hco s ASP 47 N -4.00 7.24 -0.04 1.61 3.68 -1.26 -4.85 116.67 119.05 1hco s ASP 47 Ca 0.00 1.51 0.08 0.00 2.13 0.00 0.00 52.55 56.26 1hco s ASP 47 Cb 0.00 -2.52 0.13 0.00 -1.45 0.00 0.00 42.92 39.08 1hco s ASP 47 CO 0.00 -0.24 1.06 0.18 0.13 0.00 0.00 175.17 176.30 1hco n LEU 48 N 4.01 0.80 0.02 -1.34 4.77 -1.26 -4.48 117.00 119.51 1hco n LEU 48 Ca 0.04 -1.74 0.12 0.00 -0.03 0.00 0.00 56.01 54.41 1hco n LEU 48 Cb 0.51 -0.13 0.31 0.00 -2.33 0.00 0.00 43.42 41.78 1hco n LEU 48 CO 0.51 0.44 0.55 -0.24 -1.33 0.00 0.00 177.39 177.31 1hco n SER 49 N -0.35 0.47 -3.92 -1.43 2.88 -1.26 -4.86 113.62 105.14 1hco n SER 49 Ca 0.05 0.03 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 1hco n SER 49 Cb 0.73 0.03 -0.12 0.00 -0.75 0.00 0.00 64.21 64.10 1hco n SER 49 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1hco s THR 50 N -3.05 0.06 0.46 2.46 -4.23 -1.26 -5.06 115.64 105.03 1hco s THR 50 Ca 0.10 -0.51 0.21 0.00 -1.18 0.00 0.00 61.69 60.31 1hco s THR 50 Cb 0.16 -0.18 0.39 0.00 1.34 0.00 0.00 72.50 74.22 1hco s THR 50 CO 0.67 -0.28 1.91 1.55 -0.54 0.00 0.00 174.62 177.92 1hco h PRO 51 N 5.25 0.26 -0.29 3.99 0.13 -1.99 -2.61 132.00 136.72 1hco h PRO 51 Ca -0.29 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 1hco h PRO 51 Cb 1.21 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1hco h PRO 51 CO 0.45 0.17 -0.17 -0.44 -0.23 0.00 0.00 178.00 177.78 1hco h ASP 52 N 0.26 0.51 0.00 1.44 3.32 -1.99 -3.02 116.42 116.95 1hco h ASP 52 Ca 0.39 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1hco h ASP 52 Cb 1.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1hco h ASP 52 CO -0.10 0.70 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 1hco n ALA 53 N -2.48 2.51 -0.18 3.45 0.00 -0.98 -3.41 120.51 119.41 1hco n ALA 53 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1hco n ALA 53 Cb 0.36 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1hco n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hco n VAL 54 N -0.53 0.00 0.00 0.00 0.31 -1.15 -4.37 118.33 112.59 1hco n VAL 54 Ca 0.01 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1hco n VAL 54 Cb 0.01 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1hco n VAL 54 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1hco n MET 55 N -2.28 0.00 -2.71 5.55 2.00 -1.17 0.16 117.12 118.68 1hco n MET 55 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.64 1hco n MET 55 Cb 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 33.22 31.90 1hco n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1hco n GLY 56 N -0.45 1.58 3.53 3.03 0.00 -1.22 -4.99 105.19 106.67 1hco n GLY 56 Ca 0.00 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 1hco n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hco s ASN 57 N -2.67 4.87 0.35 1.61 3.84 0.43 -4.87 114.94 118.50 1hco s ASN 57 Ca 0.24 -0.09 0.24 0.00 0.21 0.00 0.00 52.86 53.47 1hco s ASN 57 Cb 0.42 -1.72 0.47 0.00 -0.55 0.00 0.00 41.25 39.86 1hco s ASN 57 CO -0.02 0.20 1.62 -0.65 -2.79 0.00 0.00 177.10 175.46 1hco h PRO 58 N 6.46 0.00 0.00 0.43 0.11 -1.95 -2.10 132.00 134.95 1hco h PRO 58 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1hco h PRO 58 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1hco h PRO 58 CO 0.62 0.00 -0.23 0.87 -0.21 0.00 0.00 178.00 179.04 1hco h LYS 59 N 0.00 0.00 0.00 1.05 1.79 -1.89 -1.55 116.57 115.97 1hco h LYS 59 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1hco h LYS 59 Cb 0.91 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1hco h LYS 59 CO 0.00 0.00 -1.97 0.28 -1.08 0.00 0.00 179.45 176.68 1hco n VAL 60 N -2.39 0.07 0.07 0.50 0.31 -1.06 -3.55 118.33 112.28 1hco n VAL 60 Ca 0.04 -0.49 -0.12 0.00 -0.01 0.00 0.00 64.34 63.77 1hco n VAL 60 Cb 0.46 -0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.25 1hco n VAL 60 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1hco h LYS 61 N 0.00 0.13 -0.08 5.55 2.10 -1.40 -3.18 116.57 119.69 1hco h LYS 61 Ca -0.03 -0.22 -0.19 0.00 -2.00 0.00 0.00 60.65 58.21 1hco h LYS 61 Cb 1.01 0.08 0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1hco h LYS 61 CO 0.00 1.06 -0.70 0.00 -2.00 0.00 0.00 179.45 177.81 1hco h ALA 62 N 0.78 0.19 -0.02 0.07 0.00 -1.41 -3.24 119.26 115.63 1hco h ALA 62 Ca -0.10 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 1hco h ALA 62 Cb 1.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1hco h ALA 62 CO 0.16 0.52 -0.57 1.25 0.00 0.00 0.00 179.25 180.60 1hco h HIS 63 N 0.25 0.10 0.00 0.00 -0.00 -1.71 -2.96 115.15 110.83 1hco h HIS 63 Ca -0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1hco h HIS 63 Cb 1.36 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 1hco h HIS 63 CO 0.11 0.63 0.00 0.78 -0.00 0.00 0.00 177.93 179.45 1hco h GLY 64 N 1.63 0.00 1.50 5.26 0.00 -1.61 -1.49 103.07 108.35 1hco h GLY 64 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1hco h GLY 64 CO 0.08 0.00 -1.04 1.70 0.00 0.00 0.00 176.54 177.28 1hco h LYS 65 N 0.00 0.44 -0.76 4.80 3.64 -1.54 -2.76 116.57 120.39 1hco h LYS 65 Ca 0.00 -0.52 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1hco h LYS 65 Cb 0.39 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1hco h LYS 65 CO 0.00 1.17 0.46 0.87 -2.27 0.00 0.00 179.45 179.69 1hco h LYS 66 N 0.22 1.03 0.00 1.90 6.56 -1.33 -1.71 116.57 123.24 1hco h LYS 66 Ca -0.11 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1hco h LYS 66 Cb 1.69 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 33.14 1hco h LYS 66 CO 0.18 0.72 0.00 0.28 -2.06 0.00 0.00 179.45 178.57 1hco n VAL 67 N -4.51 0.02 0.05 0.50 0.31 -0.99 -0.69 118.33 113.01 1hco n VAL 67 Ca 0.07 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.47 1hco n VAL 67 Cb 0.05 -0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 1hco n VAL 67 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1hco n LEU 68 N -1.43 0.61 0.00 7.52 4.77 -1.06 -3.89 117.00 123.53 1hco n LEU 68 Ca 0.09 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1hco n LEU 68 Cb 0.30 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1hco n LEU 68 CO 0.25 -0.01 0.33 0.61 -1.33 0.00 0.00 177.39 177.25 1hco n GLY 69 N 1.30 -3.45 0.29 -0.72 0.00 0.13 -1.73 105.19 101.01 1hco n GLY 69 Ca -0.06 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1hco n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hco n ALA 70 N -1.62 2.14 -0.11 4.61 0.00 -0.97 -1.48 120.51 123.09 1hco n ALA 70 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1hco n ALA 70 Cb 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 1hco n ALA 70 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1hco n PHE 71 N -0.12 0.13 -0.21 0.00 3.01 -0.92 -3.39 117.46 115.95 1hco n PHE 71 Ca 0.00 0.03 -0.07 0.00 1.01 0.00 0.00 57.45 58.43 1hco n PHE 71 Cb 0.11 -1.02 0.03 0.00 -0.01 0.00 0.00 39.48 38.59 1hco n PHE 71 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1hco h SER 72 N 0.00 0.77 0.58 4.37 0.02 -0.39 4.06 113.55 122.96 1hco h SER 72 Ca -0.55 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.27 1hco h SER 72 Cb 2.04 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 64.38 1hco h SER 72 CO -0.03 0.66 -0.14 0.44 -1.14 0.00 0.00 176.83 176.62 1hco h ASP 73 N 0.82 0.00 0.00 3.07 3.32 -1.64 -3.24 116.42 118.75 1hco h ASP 73 Ca 0.21 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 1hco h ASP 73 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1hco h ASP 73 CO -0.03 0.14 -0.92 0.61 -1.72 0.00 0.00 179.24 177.32 1hco n GLY 74 N -0.37 -0.88 0.02 2.75 0.00 -0.13 -3.69 105.19 102.90 1hco n GLY 74 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1hco n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hco n LEU 75 N -4.52 0.00 -2.74 0.99 7.94 1.32 -1.67 117.00 118.33 1hco n LEU 75 Ca -0.20 0.03 -0.06 0.00 -1.11 0.00 0.00 56.01 54.68 1hco n LEU 75 Cb 0.47 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.46 1hco n LEU 75 CO 0.14 -0.03 0.24 0.00 -1.11 0.00 0.00 177.39 176.63 1hco n ALA 76 N -0.89 -2.00 0.00 1.96 0.00 -1.24 -4.72 120.51 113.62 1hco n ALA 76 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1hco n ALA 76 Cb 0.46 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1hco n ALA 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1hco n HIS 77 N 2.11 0.00 0.00 0.00 -0.00 -0.67 -4.91 115.22 111.76 1hco n HIS 77 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1hco n HIS 77 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.61 1hco n HIS 77 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hco n LEU 78 N 0.00 0.00 0.06 0.27 4.77 -1.05 -2.54 117.00 118.51 1hco n LEU 78 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1hco n LEU 78 Cb 0.00 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.37 1hco n LEU 78 CO 0.00 0.00 0.55 -0.67 -1.33 0.00 0.00 177.39 175.94 1hco n ASP 79 N -0.78 0.64 -3.75 -1.43 4.64 -1.26 -4.34 116.55 110.27 1hco n ASP 79 Ca 0.00 0.22 -0.10 0.00 -1.38 0.00 0.00 54.79 53.53 1hco n ASP 79 Cb 0.00 -0.13 -0.06 0.00 -1.04 0.00 0.00 41.12 39.89 1hco n ASP 79 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 1hco s ASN 80 N -4.04 -0.09 0.00 1.67 2.47 -1.05 -4.85 114.94 109.04 1hco s ASN 80 Ca 0.09 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.01 1hco s ASN 80 Cb 0.14 0.39 0.00 0.00 -1.45 0.00 0.00 41.25 40.33 1hco s ASN 80 CO 0.67 -0.72 0.00 -0.11 -3.72 0.00 0.00 177.10 173.22 1hco n LEU 81 N 0.15 0.00 0.22 3.21 7.94 -1.26 -4.71 117.00 122.55 1hco n LEU 81 Ca -0.17 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.79 1hco n LEU 81 Cb 0.62 0.00 0.51 0.00 0.53 0.00 0.00 43.42 45.08 1hco n LEU 81 CO 0.20 0.00 0.89 0.11 -1.11 0.00 0.00 177.39 177.48 1hco h LYS 82 N 0.00 0.00 0.00 1.96 6.56 -1.88 -3.32 116.57 119.89 1hco h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1hco h LYS 82 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1hco h LYS 82 CO 0.00 0.20 -0.69 0.41 -2.06 0.00 0.00 179.45 177.31 1hco n GLY 83 N -0.92 -0.30 0.14 3.86 0.00 -1.26 -3.93 105.19 102.78 1hco n GLY 83 Ca -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 1hco n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1hco h THR 84 N 0.00 1.45 -0.41 2.61 2.02 -1.88 -3.30 112.91 113.40 1hco h THR 84 Ca 0.00 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.93 1hco h THR 84 Cb 0.34 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1hco h THR 84 CO 0.00 0.65 0.00 0.49 0.37 0.00 0.00 175.52 177.03 1hco n PHE 85 N -3.77 0.54 -0.08 3.16 0.99 -1.25 -4.70 117.46 112.34 1hco n PHE 85 Ca -0.02 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.45 57.06 1hco n PHE 85 Cb 0.67 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 39.11 1hco n PHE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1hco h ALA 86 N 4.37 -0.40 -0.70 4.37 0.00 -1.68 -1.40 119.26 123.81 1hco h ALA 86 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1hco h ALA 86 Cb 0.88 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1hco h ALA 86 CO 0.00 -0.84 0.46 1.79 0.00 0.00 0.00 179.25 180.66 1hco h THR 87 N -0.35 1.08 0.02 0.00 1.35 -1.88 0.19 112.91 113.32 1hco h THR 87 Ca 0.13 -0.28 -0.23 0.00 -0.55 0.00 0.00 66.41 65.48 1hco h THR 87 Cb 0.58 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1hco h THR 87 CO -0.51 0.15 -0.97 -0.07 -0.25 0.00 0.00 175.52 173.87 1hco h LEU 88 N 0.81 0.51 -0.76 3.87 3.38 -1.80 0.11 115.31 121.41 1hco h LEU 88 Ca 0.28 -0.42 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1hco h LEU 88 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1hco h LEU 88 CO -0.08 1.23 -0.61 -1.28 0.09 0.00 0.00 178.44 177.79 1hco h SER 89 N 0.21 0.04 -0.13 -0.43 0.87 -0.96 2.58 113.55 115.72 1hco h SER 89 Ca -0.08 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1hco h SER 89 Cb 1.62 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1hco h SER 89 CO 0.17 0.64 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.98 1hco h GLU 90 N 0.02 0.27 0.34 2.24 4.81 -0.84 0.53 114.58 121.96 1hco h GLU 90 Ca -0.01 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1hco h GLU 90 Cb 1.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1hco h GLU 90 CO 0.08 0.58 -0.24 1.25 -0.73 0.00 0.00 179.01 179.95 1hco h LEU 91 N -0.06 -0.62 -0.84 1.64 6.46 0.76 -2.63 115.31 120.02 1hco h LEU 91 Ca 0.03 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 1hco h LEU 91 Cb 0.49 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 1hco h LEU 91 CO 0.02 -0.37 -0.48 0.45 -0.62 0.00 0.00 178.44 177.43 1hco h HIS 92 N -0.58 0.29 0.00 1.25 3.86 0.44 -3.10 115.15 117.31 1hco h HIS 92 Ca -0.03 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 1hco h HIS 92 Cb 0.49 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1hco h HIS 92 CO -0.12 0.67 -0.41 0.00 0.86 0.00 0.00 177.93 178.94 1hco n ASP 94 N -4.60 2.94 0.00 0.00 5.68 -0.99 -3.17 116.55 116.40 1hco n ASP 94 Ca -0.13 -3.68 0.00 0.00 -0.50 0.00 0.00 54.79 50.48 1hco n ASP 94 Cb 0.39 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1hco n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1hco n LYS 95 N -1.07 0.00 -0.00 0.11 4.76 -1.23 -4.87 118.16 115.86 1hco n LYS 95 Ca 0.40 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.85 1hco n LYS 95 Cb 1.20 -0.54 -0.02 0.00 -1.84 0.00 0.00 35.03 33.84 1hco n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1hco n LEU 96 N -1.86 0.00 -3.44 -0.35 4.77 -1.17 -5.04 117.00 109.91 1hco n LEU 96 Ca 0.00 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 1hco n LEU 96 Cb 0.11 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1hco n LEU 96 CO 0.00 0.00 0.07 1.41 -1.33 0.00 0.00 177.39 177.54 1hco n HIS 97 N -1.57 -2.20 -2.73 -1.77 8.25 -0.99 -4.96 115.22 109.26 1hco n HIS 97 Ca -0.00 0.90 -0.39 0.00 -0.26 0.00 0.00 57.72 57.97 1hco n HIS 97 Cb 0.06 -4.78 -0.06 0.00 1.12 0.00 0.00 29.99 26.33 1hco n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hco s VAL 98 N -3.41 4.04 0.30 1.59 1.01 -0.68 -4.98 120.40 118.27 1hco s VAL 98 Ca 0.10 1.95 -0.27 0.00 0.00 0.00 0.00 61.98 63.75 1hco s VAL 98 Cb -0.01 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 1hco s VAL 98 CO 0.75 0.39 0.95 -0.62 0.00 0.00 0.00 175.10 176.56 1hco s ASP 99 N -1.27 7.43 0.04 3.32 2.15 -1.26 -4.73 116.67 122.36 1hco s ASP 99 Ca 0.44 1.89 0.03 0.00 0.43 0.00 0.00 52.55 55.33 1hco s ASP 99 Cb -0.25 -2.59 0.14 0.00 -0.30 0.00 0.00 42.92 39.92 1hco s ASP 99 CO 0.31 0.00 1.03 -2.65 -0.17 0.00 0.00 175.17 173.69 1hco n PRO 100 N 0.88 0.02 -0.24 4.34 -0.02 -1.26 -2.48 135.00 136.23 1hco n PRO 100 Ca 0.01 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 1hco n PRO 100 Cb 0.49 -1.62 0.27 0.00 -0.02 0.00 0.00 33.50 32.62 1hco n PRO 100 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1hco n GLU 101 N -1.55 2.35 0.00 -0.52 2.13 -1.26 -2.69 120.64 119.11 1hco n GLU 101 Ca -0.00 -2.07 0.11 0.00 0.66 0.00 0.00 57.16 55.86 1hco n GLU 101 Cb 0.06 -1.48 0.01 0.00 0.27 0.00 0.00 31.44 30.31 1hco n GLU 101 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1hco n ASN 102 N 1.22 2.14 0.03 4.31 4.13 -1.03 -3.17 115.26 122.89 1hco n ASN 102 Ca 0.20 -1.57 -0.06 0.00 1.68 0.00 0.00 54.58 54.83 1hco n ASN 102 Cb 0.52 0.42 -0.11 0.00 -1.54 0.00 0.00 39.78 39.07 1hco n ASN 102 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1hco h PHE 103 N 2.70 0.00 0.00 3.10 0.04 -1.67 -3.17 116.94 117.93 1hco h PHE 103 Ca 0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1hco h PHE 103 Cb 0.79 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 1hco h PHE 103 CO 0.00 0.89 -1.28 0.00 -0.60 0.00 0.00 178.31 177.32 1hco h ARG 104 N 0.00 0.00 -0.31 1.51 -0.00 -1.68 -3.22 114.38 110.68 1hco h ARG 104 Ca -0.14 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.27 1hco h ARG 104 Cb 1.80 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.76 1hco h ARG 104 CO 0.09 0.27 -0.09 -0.07 0.00 0.00 0.00 179.97 180.18 1hco h LEU 105 N 0.00 0.62 -1.45 3.04 3.38 -1.65 -1.03 115.31 118.22 1hco h LEU 105 Ca -0.13 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1hco h LEU 105 Cb 1.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1hco h LEU 105 CO 0.04 0.85 -0.24 0.25 0.09 0.00 0.00 178.44 179.43 1hco h LEU 106 N 0.38 0.04 0.05 1.67 5.85 -1.63 0.13 115.31 121.80 1hco h LEU 106 Ca 0.08 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.49 1hco h LEU 106 Cb 0.59 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1hco h LEU 106 CO 0.03 0.29 -1.61 1.23 -0.34 0.00 0.00 178.44 178.04 1hco h GLY 107 N 0.78 0.11 0.97 3.75 0.00 -1.58 -2.75 103.07 104.35 1hco h GLY 107 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1hco h GLY 107 CO 0.03 0.25 0.20 3.43 0.00 0.00 0.00 176.54 180.45 1hco h ASN 108 N 0.03 0.44 1.26 0.19 -0.26 -0.83 -1.67 115.58 114.74 1hco h ASN 108 Ca -0.26 -0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 55.33 1hco h ASN 108 Cb 1.98 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 39.12 1hco h ASN 108 CO 0.11 0.39 -0.33 -0.37 -1.06 0.00 0.00 177.43 176.17 1hco h VAL 109 N 0.45 0.65 -0.09 2.81 -1.51 -0.84 -2.56 116.25 115.15 1hco h VAL 109 Ca 0.12 -1.59 -0.07 0.00 -1.23 0.00 0.00 66.70 63.94 1hco h VAL 109 Cb 0.05 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1hco h VAL 109 CO -0.02 0.32 -0.26 0.25 -1.23 0.00 0.00 177.57 176.63 1hco h LEU 110 N 0.00 0.15 -0.22 4.19 6.46 -1.12 -0.99 115.31 123.78 1hco h LEU 110 Ca -0.00 -0.04 -0.20 0.00 -0.12 0.00 0.00 57.88 57.51 1hco h LEU 110 Cb 1.05 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1hco h LEU 110 CO 0.04 0.42 -0.92 0.58 -0.62 0.00 0.00 178.44 177.94 1hco h VAL 111 N 0.14 1.56 -0.21 1.05 2.07 -0.92 -1.09 116.25 118.85 1hco h VAL 111 Ca 0.02 -2.85 -0.08 0.00 0.82 0.00 0.00 66.70 64.61 1hco h VAL 111 Cb 0.53 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1hco h VAL 111 CO 0.04 0.82 -0.22 0.00 0.02 0.00 0.00 177.57 178.23 1hco h VAL 113 N 0.34 0.00 0.22 0.00 2.07 -0.97 0.04 116.25 117.95 1hco h VAL 113 Ca 0.06 -0.85 -0.33 0.00 0.82 0.00 0.00 66.70 66.40 1hco h VAL 113 Cb 0.58 1.72 0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1hco h VAL 113 CO 0.04 0.00 -1.47 -0.07 0.02 0.00 0.00 177.57 176.09 1hco h LEU 114 N 0.00 0.73 -0.38 2.57 3.38 -0.68 -3.03 115.31 117.89 1hco h LEU 114 Ca 0.00 -0.81 -0.18 0.00 0.09 0.00 0.00 57.88 56.98 1hco h LEU 114 Cb 0.92 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1hco h LEU 114 CO 0.00 1.64 -0.54 0.00 0.09 0.00 0.00 178.44 179.63 1hco h ALA 115 N 0.25 0.56 -0.82 1.53 0.00 -1.04 -2.64 119.26 117.09 1hco h ALA 115 Ca -0.24 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1hco h ALA 115 Cb 2.12 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1hco h ALA 115 CO 0.25 0.68 0.40 1.25 0.00 0.00 0.00 179.25 181.83 1hco h HIS 116 N 0.59 1.18 0.00 0.00 -0.00 -1.04 -2.03 115.15 113.85 1hco h HIS 116 Ca 0.01 -0.05 -0.12 0.00 -0.00 0.00 0.00 60.37 60.21 1hco h HIS 116 Cb 1.12 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 28.15 1hco h HIS 116 CO 0.06 0.85 -0.67 0.45 -0.00 0.00 0.00 177.93 178.62 1hco h HIS 117 N 1.17 0.00 -0.02 5.26 -0.00 -1.51 -3.36 115.15 116.69 1hco h HIS 117 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1hco h HIS 117 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1hco h HIS 117 CO 0.01 0.55 -0.00 1.19 -0.00 0.00 0.00 177.93 179.68 1hco n PHE 118 N -3.19 0.00 -0.10 2.45 0.99 -1.00 -5.07 117.46 111.55 1hco n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1hco n PHE 118 Cb 0.77 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.25 1hco n PHE 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1hco n GLY 119 N 0.83 2.56 0.30 1.37 0.00 -0.77 -2.44 105.19 107.06 1hco n GLY 119 Ca 0.09 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1hco n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hco h LYS 120 N 0.00 0.00 -0.28 1.61 1.57 -1.97 -2.13 116.57 115.37 1hco h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hco h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hco h LYS 120 CO 0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 1hco n GLU 121 N -2.62 1.66 -3.15 3.15 -0.58 -1.02 -3.84 120.64 114.23 1hco n GLU 121 Ca -0.01 -1.03 -0.37 0.00 -0.42 0.00 0.00 57.16 55.33 1hco n GLU 121 Cb 0.54 -1.24 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 1hco n GLU 121 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1hco n PHE 122 N 0.32 2.80 -0.49 -0.32 7.35 -0.80 -4.99 117.46 121.33 1hco n PHE 122 Ca 0.10 -3.18 -0.31 0.00 -0.76 0.00 0.00 57.45 53.30 1hco n PHE 122 Cb 0.25 -0.98 0.28 0.00 0.35 0.00 0.00 39.48 39.38 1hco n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hco s THR 123 N -2.75 1.21 -0.16 -2.13 -4.23 -1.25 -4.77 115.64 101.57 1hco s THR 123 Ca 0.35 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.01 1hco s THR 123 Cb 0.09 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.81 1hco s THR 123 CO 0.06 0.00 1.30 1.55 -0.54 0.00 0.00 174.62 176.99 1hco h PRO 124 N -3.35 0.00 0.00 3.99 0.13 -1.94 -2.95 132.00 127.88 1hco h PRO 124 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1hco h PRO 124 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1hco h PRO 124 CO 0.27 0.44 0.00 -1.00 -0.23 0.00 0.00 178.00 177.48 1hco h PRO 125 N 0.00 0.00 -0.00 1.56 0.13 -1.98 0.13 132.00 131.84 1hco h PRO 125 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1hco h PRO 125 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1hco h PRO 125 CO 0.06 0.00 -0.34 0.28 -0.23 0.00 0.00 178.00 177.77 1hco n VAL 126 N -3.01 0.00 -0.14 1.56 0.31 -1.17 -3.33 118.33 112.55 1hco n VAL 126 Ca 0.04 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1hco n VAL 126 Cb 0.49 0.16 -0.10 0.00 -0.91 0.00 0.00 33.84 33.48 1hco n VAL 126 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1hco n GLN 127 N -1.24 0.59 -0.17 5.55 7.27 -0.96 -4.21 117.38 124.21 1hco n GLN 127 Ca 0.08 0.25 0.28 0.00 0.07 0.00 0.00 57.00 57.68 1hco n GLN 127 Cb 0.33 -1.48 0.54 0.00 2.41 0.00 0.00 30.24 32.04 1hco n GLN 127 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1hco h ALA 128 N -0.94 2.82 0.00 1.69 0.00 -0.83 1.80 119.26 123.79 1hco h ALA 128 Ca -0.70 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 1hco h ALA 128 Cb 1.63 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1hco h ALA 128 CO -0.41 -1.53 -0.98 0.00 0.00 0.00 0.00 179.25 176.33 1hco h ALA 129 N 0.80 0.65 0.00 0.00 0.00 -1.74 -3.31 119.26 115.67 1hco h ALA 129 Ca 0.45 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hco h ALA 129 Cb 2.53 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.42 1hco h ALA 129 CO -0.00 0.63 -0.43 0.66 0.00 0.00 0.00 179.25 180.11 1hco n TYR 130 N -2.97 0.51 0.17 0.00 4.01 0.61 -2.59 117.16 116.90 1hco n TYR 130 Ca -0.04 0.15 0.11 0.00 -0.16 0.00 0.00 57.90 57.96 1hco n TYR 130 Cb 0.74 -0.64 0.10 0.00 -0.31 0.00 0.00 39.34 39.23 1hco n TYR 130 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1hco h GLN 131 N 0.00 0.00 0.23 -0.72 1.08 -1.49 -2.70 115.11 111.50 1hco h GLN 131 Ca 0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.86 1hco h GLN 131 Cb 0.69 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.14 1hco h GLN 131 CO 0.00 0.02 -1.58 0.87 -0.95 0.00 0.00 178.83 177.19 1hco h LYS 132 N 0.00 0.48 0.00 1.46 1.57 -1.60 -1.91 116.57 116.56 1hco h LYS 132 Ca -0.00 -0.81 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 1hco h LYS 132 Cb 1.03 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1hco h LYS 132 CO 0.00 1.39 0.00 0.28 -0.57 0.00 0.00 179.45 180.55 1hco n VAL 133 N -3.66 0.00 0.00 0.50 0.31 -1.07 -1.85 118.33 112.56 1hco n VAL 133 Ca -0.20 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1hco n VAL 133 Cb 1.09 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1hco n VAL 133 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1hco n VAL 134 N -0.13 0.00 0.25 2.52 0.31 -1.02 0.72 118.33 120.98 1hco n VAL 134 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1hco n VAL 134 Cb 0.00 0.00 0.45 0.00 -0.91 0.00 0.00 33.84 33.38 1hco n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hco h ALA 135 N 0.00 0.99 0.00 3.52 0.00 -1.36 -1.88 119.26 120.53 1hco h ALA 135 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hco h ALA 135 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hco h ALA 135 CO 0.00 0.04 -0.00 0.78 0.00 0.00 0.00 179.25 180.07 1hco h GLY 136 N 2.83 -0.00 1.92 0.00 0.00 2.54 -2.77 103.07 107.59 1hco h GLY 136 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1hco h GLY 136 CO 0.00 -0.00 0.03 -2.08 0.00 0.00 0.00 176.54 174.50 1hco h VAL 137 N -1.00 0.71 0.00 4.60 2.07 -1.33 -1.70 116.25 119.60 1hco h VAL 137 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1hco h VAL 137 Cb 0.92 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1hco h VAL 137 CO 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 177.57 177.10 1hco h ALA 138 N 1.97 0.73 0.00 1.67 0.00 -1.40 -2.83 119.26 119.40 1hco h ALA 138 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1hco h ALA 138 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1hco h ALA 138 CO -0.00 0.00 -0.87 -0.91 0.00 0.00 0.00 179.25 177.47 1hco h ASN 139 N 0.00 0.00 0.07 0.00 2.35 -1.04 -3.27 115.58 113.69 1hco h ASN 139 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1hco h ASN 139 Cb 0.93 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.31 1hco h ASN 139 CO 0.00 0.21 -0.68 0.00 -1.65 0.00 0.00 177.43 175.31 1hco h ALA 140 N 1.79 -0.02 0.00 -0.83 0.00 -1.32 -3.07 119.26 115.81 1hco h ALA 140 Ca -0.04 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1hco h ALA 140 Cb 1.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1hco h ALA 140 CO 0.02 0.34 -0.37 -0.07 0.00 0.00 0.00 179.25 179.18 1hco h LEU 141 N -0.28 0.00 -0.01 0.00 3.38 -1.65 -2.87 115.31 113.88 1hco h LEU 141 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1hco h LEU 141 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1hco h LEU 141 CO 0.13 0.37 0.00 0.00 0.09 0.00 0.00 178.44 179.03 1hco n ALA 142 N -2.24 2.29 0.00 1.53 0.00 -1.23 -4.39 120.51 116.47 1hco n ALA 142 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1hco n ALA 142 Cb 0.58 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1hco n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1hco n HIS 143 N -1.99 0.00 -1.80 0.00 -0.00 -1.09 -2.50 115.22 107.84 1hco n HIS 143 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.83 1hco n HIS 143 Cb 0.39 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.49 1hco n HIS 143 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1hco n LYS 144 N 0.00 0.80 -0.11 1.57 3.00 -1.26 -4.44 118.16 117.71 1hco n LYS 144 Ca 0.00 -2.37 0.09 0.00 -0.00 0.00 0.00 58.31 56.03 1hco n LYS 144 Cb 0.00 -0.95 0.14 0.00 0.00 0.00 0.00 35.03 34.23 1hco n LYS 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1hco n TYR 145 N -0.54 0.30 0.68 5.64 4.01 -1.04 -4.90 117.16 121.31 1hco n TYR 145 Ca 0.11 -0.20 0.08 0.00 -0.16 0.00 0.00 57.90 57.73 1hco n TYR 145 Cb 0.81 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.90 1hco n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12