#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3m h PRO 19 N 0.00 0.00 0.00 0.00 0.11 -2.03 -3.28 132.00 126.80 3h3m h PRO 19 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3h3m h PRO 19 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3h3m h PRO 19 CO 0.00 0.71 -0.39 -0.24 -0.21 0.00 0.00 178.00 177.87 3h3m h VAL 20 N 0.00 1.03 -0.02 3.15 3.04 -1.98 -0.39 116.25 121.09 3h3m h VAL 20 Ca -0.05 -1.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 3h3m h VAL 20 Cb 1.64 1.85 -0.00 0.00 -2.01 0.00 0.00 31.29 32.76 3h3m h VAL 20 CO 0.09 0.38 0.01 -0.07 -1.01 0.00 0.00 177.57 176.98 3h3m h LEU 21 N 0.00 0.00 -0.69 3.16 4.07 -1.97 -2.76 115.31 117.12 3h3m h LEU 21 Ca -0.00 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 3h3m h LEU 21 Cb 0.81 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 3h3m h LEU 21 CO 0.05 0.00 0.08 1.05 -1.08 0.00 0.00 178.44 178.54 3h3m h GLU 22 N 0.00 1.09 -0.16 1.13 4.11 -1.18 -2.25 114.58 117.32 3h3m h GLU 22 Ca 0.01 -0.30 -0.20 0.00 0.07 0.00 0.00 59.36 58.94 3h3m h GLU 22 Cb 0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3h3m h GLU 22 CO -0.00 1.01 -0.69 0.82 0.07 0.00 0.00 179.01 180.22 3h3m h ILE 23 N 1.01 1.31 -0.84 -1.06 1.08 -1.51 -2.11 117.51 115.40 3h3m h ILE 23 Ca 0.19 -1.95 -0.01 0.00 -0.39 0.00 0.00 64.86 62.70 3h3m h ILE 23 Cb 0.47 1.92 -0.04 0.00 -3.07 0.00 0.00 36.82 36.10 3h3m h ILE 23 CO 0.02 0.61 0.47 1.88 -0.69 0.00 0.00 178.15 180.44 3h3m h TYR 24 N 0.47 1.13 -0.08 1.37 -1.99 -1.38 -1.28 116.97 115.21 3h3m h TYR 24 Ca -0.03 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 3h3m h TYR 24 Cb 1.29 -0.36 -0.00 0.00 2.00 0.00 0.00 36.73 39.65 3h3m h TYR 24 CO 0.07 0.77 0.05 0.37 -0.00 0.00 0.00 178.16 179.41 3h3m h GLN 25 N 1.16 0.12 -0.73 4.88 5.75 -1.25 -0.83 115.11 124.20 3h3m h GLN 25 Ca 0.30 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.81 3h3m h GLN 25 Cb -0.00 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 3h3m h GLN 25 CO -0.05 0.16 0.48 -0.44 -2.65 0.00 0.00 178.83 176.33 3h3m h ASP 26 N 0.04 0.79 -0.30 -0.69 3.32 -1.06 0.20 116.42 118.73 3h3m h ASP 26 Ca 0.03 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 3h3m h ASP 26 Cb 0.07 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3h3m h ASP 26 CO -0.00 0.56 -0.49 0.40 -1.72 0.00 0.00 179.24 177.98 3h3m h ILE 27 N 0.93 1.28 -0.71 0.35 2.04 -1.02 -0.47 117.51 119.90 3h3m h ILE 27 Ca 0.28 -1.68 0.02 0.00 1.00 0.00 0.00 64.86 64.48 3h3m h ILE 27 Cb -0.01 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3h3m h ILE 27 CO -0.07 0.55 0.46 0.00 0.00 0.00 0.00 178.15 179.08 3h3m h ALA 28 N 0.69 0.92 -0.38 1.87 0.00 -0.53 0.15 119.26 121.97 3h3m h ALA 28 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3h3m h ALA 28 Cb 1.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3h3m h ALA 28 CO 0.11 0.26 -0.07 -0.91 0.00 0.00 0.00 179.25 178.64 3h3m h ASN 29 N 0.91 0.73 -0.50 0.00 2.35 -0.39 -1.46 115.58 117.21 3h3m h ASN 29 Ca 0.27 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3h3m h ASN 29 Cb -0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3h3m h ASN 29 CO -0.09 0.91 0.25 0.25 -1.65 0.00 0.00 177.43 177.11 3h3m h LEU 30 N 0.54 0.65 -1.55 1.61 5.85 -0.94 -1.26 115.31 120.21 3h3m h LEU 30 Ca 0.10 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3h3m h LEU 30 Cb 0.58 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3h3m h LEU 30 CO 0.03 0.59 -0.24 0.71 -0.34 0.00 0.00 178.44 179.19 3h3m h THR 31 N 0.67 0.97 -0.29 1.05 1.35 -0.48 -2.12 112.91 114.06 3h3m h THR 31 Ca 0.17 -0.87 -0.18 0.00 -0.55 0.00 0.00 66.41 64.98 3h3m h THR 31 Cb 0.10 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3h3m h THR 31 CO -0.02 0.23 -0.54 0.28 -0.25 0.00 0.00 175.52 175.22 3h3m h SER 32 N 0.00 0.97 0.00 5.36 0.02 -0.71 -1.13 113.55 118.06 3h3m h SER 32 Ca -0.00 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3h3m h SER 32 Cb 0.48 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3h3m h SER 32 CO 0.03 1.32 0.00 0.54 -1.14 0.00 0.00 176.83 177.58 3h3m n ARG 33 N -4.01 0.06 0.00 3.45 1.74 -0.53 -1.48 116.66 115.90 3h3m n ARG 33 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3h3m n ARG 33 Cb 0.62 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 3h3m n ARG 33 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3h3m n LEU 35 N 0.95 0.00 -0.08 0.55 7.94 -0.43 -1.87 117.00 124.06 3h3m n LEU 35 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3h3m n LEU 35 Cb 0.03 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.97 3h3m n LEU 35 CO 0.00 0.00 0.96 0.00 -1.11 0.00 0.00 177.39 177.24 3h3m h ALA 36 N 0.00 0.36 -0.18 1.96 0.00 -1.55 0.22 119.26 120.08 3h3m h ALA 36 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3h3m h ALA 36 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3h3m h ALA 36 CO 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 179.25 178.99 3h3m h ALA 37 N 1.15 0.13 -0.58 0.00 0.00 -1.66 -2.62 119.26 115.67 3h3m h ALA 37 Ca 0.12 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.17 3h3m h ALA 37 Cb 0.03 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3h3m h ALA 37 CO -0.08 -0.47 0.26 0.00 0.00 0.00 0.00 179.25 178.97 3h3m h ALA 38 N 1.17 0.76 -1.03 0.00 0.00 -1.73 0.13 119.26 118.55 3h3m h ALA 38 Ca 0.09 0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.31 3h3m h ALA 38 Cb 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 3h3m h ALA 38 CO -0.17 -0.12 0.67 -0.97 0.00 0.00 0.00 179.25 178.66 3h3m h ASN 39 N 0.48 0.41 -0.65 0.00 -0.73 -0.78 -0.85 115.58 113.46 3h3m h ASN 39 Ca 0.28 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.52 3h3m h ASN 39 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.86 3h3m h ASN 39 CO -0.23 0.09 0.00 0.00 -0.37 0.00 0.00 177.43 176.92 3h3m n ALA 40 N -2.50 2.39 -3.07 1.57 0.00 -0.37 -4.94 120.51 113.60 3h3m n ALA 40 Ca 0.24 -1.19 -0.22 0.00 0.00 0.00 0.00 53.44 52.27 3h3m n ALA 40 Cb 0.87 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.41 3h3m n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h3m n SER 41 N 1.53 -5.64 -4.28 0.00 7.64 -0.32 -4.90 113.62 107.65 3h3m n SER 41 Ca 0.23 -0.29 -0.43 0.00 1.01 0.00 0.00 58.87 59.38 3h3m n SER 41 Cb 0.59 -4.57 -0.02 0.00 -1.01 0.00 0.00 64.21 59.20 3h3m n SER 41 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3h3m s ASN 42 N -2.69 6.90 0.27 6.43 3.84 0.30 -4.82 114.94 125.18 3h3m s ASN 42 Ca 0.31 -3.50 -0.02 0.00 0.21 0.00 0.00 52.86 49.86 3h3m s ASN 42 Cb -0.15 -2.13 0.38 0.00 -0.55 0.00 0.00 41.25 38.80 3h3m s ASN 42 CO 0.39 -0.30 1.82 -0.50 -2.79 0.00 0.00 177.10 175.71 3h3m h TRP 43 N 6.66 0.88 -0.02 0.43 -0.00 -1.91 -1.93 115.95 120.05 3h3m h TRP 43 Ca 0.16 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.89 58.84 3h3m h TRP 43 Cb 0.88 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.77 3h3m h TRP 43 CO 0.78 0.74 -0.57 -0.44 -0.00 0.00 0.00 178.44 178.94 3h3m h ASP 44 N 0.82 0.08 -0.14 -3.49 3.32 -1.97 -1.20 116.42 113.85 3h3m h ASP 44 Ca 0.18 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3h3m h ASP 44 Cb 0.30 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3h3m h ASP 44 CO -0.00 0.64 -0.13 0.25 -1.72 0.00 0.00 179.24 178.27 3h3m h LEU 45 N 0.06 0.36 -0.47 1.55 5.85 -1.92 -0.40 115.31 120.33 3h3m h LEU 45 Ca -0.00 -0.48 0.09 0.00 0.84 0.00 0.00 57.88 58.33 3h3m h LEU 45 Cb 1.03 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 3h3m h LEU 45 CO 0.08 0.76 0.05 0.58 -0.34 0.00 0.00 178.44 179.56 3h3m h VAL 46 N -0.04 0.68 -0.86 1.05 2.07 -0.76 0.23 116.25 118.63 3h3m h VAL 46 Ca 0.02 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3h3m h VAL 46 Cb 0.66 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3h3m h VAL 46 CO 0.03 0.03 0.45 -0.07 0.02 0.00 0.00 177.57 178.03 3h3m h LEU 47 N 0.17 1.09 -1.03 2.57 3.38 -1.20 -2.48 115.31 117.80 3h3m h LEU 47 Ca 0.24 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3h3m h LEU 47 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3h3m h LEU 47 CO -0.35 0.90 0.08 -1.13 0.09 0.00 0.00 178.44 178.02 3h3m h ASN 48 N 1.21 0.72 0.15 -0.43 -1.24 0.93 -2.07 115.58 114.85 3h3m h ASN 48 Ca 0.30 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 3h3m h ASN 48 Cb 0.06 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.92 3h3m h ASN 48 CO -0.04 0.74 -0.12 0.45 -1.29 0.00 0.00 177.43 177.17 3h3m h HIS 49 N 0.74 0.00 -0.02 0.67 3.86 -0.23 -2.19 115.15 117.97 3h3m h HIS 49 Ca 0.16 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3h3m h HIS 49 Cb 0.34 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 3h3m h HIS 49 CO 0.02 0.12 0.06 0.78 0.86 0.00 0.00 177.93 179.77 3h3m h GLY 50 N 0.42 0.00 0.66 2.45 0.00 -1.04 -2.19 103.07 103.37 3h3m h GLY 50 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3h3m h GLY 50 CO 0.02 0.00 -0.04 1.46 0.00 0.00 0.00 176.54 177.98 3h3m h GLN 51 N 0.00 0.16 -0.80 4.80 4.20 -1.47 -2.42 115.11 119.58 3h3m h GLN 51 Ca 0.01 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.67 3h3m h GLN 51 Cb 0.14 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3h3m h GLN 51 CO -0.00 0.54 0.53 1.49 -0.67 0.00 0.00 178.83 180.71 3h3m h GLU 52 N -0.22 1.02 -0.84 1.46 4.81 -1.68 -2.96 114.58 116.18 3h3m h GLU 52 Ca 0.02 -0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.31 3h3m h GLU 52 Cb 0.49 -0.23 -0.09 0.00 0.63 0.00 0.00 28.75 29.55 3h3m h GLU 52 CO 0.01 0.68 0.45 -0.92 -0.73 0.00 0.00 179.01 178.50 3h3m h TYR 53 N 1.05 0.80 -0.02 0.92 3.20 -1.17 -0.71 116.97 121.03 3h3m h TYR 53 Ca 0.31 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 62.03 3h3m h TYR 53 Cb -0.07 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 3h3m h TYR 53 CO -0.02 0.24 -0.79 0.28 -1.64 0.00 0.00 178.16 176.23 3h3m h VAL 54 N 0.68 1.46 -0.43 1.81 2.07 -1.28 -1.96 116.25 118.59 3h3m h VAL 54 Ca 0.44 -2.42 0.02 0.00 0.82 0.00 0.00 66.70 65.56 3h3m h VAL 54 Cb 0.56 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 3h3m h VAL 54 CO -0.32 0.71 0.26 0.00 0.02 0.00 0.00 177.57 178.23 3h3m h LEU 56 N 0.52 0.67 -0.31 0.00 4.07 -0.96 -1.61 115.31 117.70 3h3m h LEU 56 Ca 0.17 -0.32 -0.16 0.00 0.08 0.00 0.00 57.88 57.65 3h3m h LEU 56 Cb 0.01 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 3h3m h LEU 56 CO -0.08 1.02 -0.44 0.58 -1.08 0.00 0.00 178.44 178.44 3h3m h VAL 57 N 0.51 1.28 -0.34 1.22 2.07 -1.30 -0.71 116.25 118.97 3h3m h VAL 57 Ca 0.03 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 65.96 3h3m h VAL 57 Cb 0.97 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3h3m h VAL 57 CO 0.09 0.53 0.15 -0.33 0.02 0.00 0.00 177.57 178.02 3h3m h GLU 58 N 0.61 0.30 -0.63 1.57 3.07 -1.13 0.27 114.58 118.65 3h3m h GLU 58 Ca 0.03 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 3h3m h GLU 58 Cb 1.04 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 3h3m h GLU 58 CO 0.10 0.20 0.04 -0.09 -1.40 0.00 0.00 179.01 177.86 3h3m h ARG 59 N 0.31 1.08 -0.83 2.33 2.43 -1.14 0.51 114.38 119.06 3h3m h ARG 59 Ca 0.15 -0.32 0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3h3m h ARG 59 Cb 0.09 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 3h3m h ARG 59 CO -0.13 1.03 0.46 1.25 -1.51 0.00 0.00 179.97 181.07 3h3m h LEU 60 N 0.98 0.63 -1.48 3.80 6.46 -0.86 -2.48 115.31 122.37 3h3m h LEU 60 Ca 0.18 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.96 3h3m h LEU 60 Cb 0.51 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3h3m h LEU 60 CO 0.02 0.34 -0.19 0.03 -0.62 0.00 0.00 178.44 178.03 3h3m h ARG 61 N 0.74 0.00 -0.00 1.25 3.08 0.12 -1.96 114.38 117.61 3h3m h ARG 61 Ca 0.41 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.20 3h3m h ARG 61 Cb 0.44 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.51 3h3m h ARG 61 CO -0.28 0.19 -1.01 0.93 -1.07 0.00 0.00 179.97 178.73 3h3m h GLU 62 N 0.00 0.69 0.00 0.04 5.08 -0.92 -3.30 114.58 116.17 3h3m h GLU 62 Ca -0.00 -0.74 -0.14 0.00 -1.00 0.00 0.00 59.36 57.48 3h3m h GLU 62 Cb 0.57 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3h3m h GLU 62 CO 0.02 1.32 -0.64 -0.07 -1.00 0.00 0.00 179.01 178.64 3h3m h LEU 63 N 0.37 0.00 -9.28 1.33 4.07 -1.41 -3.47 115.31 106.92 3h3m h LEU 63 Ca -0.13 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.17 3h3m h LEU 63 Cb 1.67 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 43.26 3h3m h LEU 63 CO 0.20 0.64 -0.73 -1.61 -1.08 0.00 0.00 178.44 175.87 3h3m s GLU 64 N -3.36 2.23 0.52 1.13 0.41 -0.75 -4.49 118.70 114.38 3h3m s GLU 64 Ca -0.00 -0.96 -0.04 0.00 -0.41 0.00 0.00 54.97 53.55 3h3m s GLU 64 Cb 0.11 -2.36 0.11 0.00 -1.78 0.00 0.00 34.13 30.22 3h3m s GLU 64 CO 0.76 0.52 0.71 -0.35 -0.49 0.00 0.00 175.26 176.41 3h3m n PRO 65 N 0.79 -0.21 0.00 0.39 -0.05 -1.26 -4.76 135.00 129.89 3h3m n PRO 65 Ca -0.13 -1.55 0.00 0.00 -0.05 0.00 0.00 63.50 61.76 3h3m n PRO 65 Cb 0.52 -0.59 0.00 0.00 -0.05 0.00 0.00 33.50 33.39 3h3m n PRO 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3h3m n GLY 66 N -0.07 -2.35 1.58 0.55 0.00 -1.26 -5.05 105.19 98.58 3h3m n GLY 66 Ca 0.10 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 3h3m n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3m n GLU 67 N -0.72 -2.34 -0.30 1.61 -0.58 -1.26 -5.01 120.64 112.04 3h3m n GLU 67 Ca 0.00 -0.77 -0.22 0.00 -0.42 0.00 0.00 57.16 55.74 3h3m n GLU 67 Cb 0.00 -0.79 0.22 0.00 -0.57 0.00 0.00 31.44 30.30 3h3m n GLU 67 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3h3m n PRO 68 N -3.23 -3.30 -4.32 3.49 -0.02 -1.26 -5.04 135.00 121.31 3h3m n PRO 68 Ca 0.07 -1.07 -0.17 0.00 -2.02 0.00 0.00 63.50 60.31 3h3m n PRO 68 Cb 0.27 -1.58 -0.10 0.00 -0.02 0.00 0.00 33.50 32.07 3h3m n PRO 68 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h3m s LEU 69 N 0.00 2.46 0.00 2.45 1.02 -1.26 -5.09 118.68 118.26 3h3m s LEU 69 Ca 0.49 -1.08 0.04 0.00 0.02 0.00 0.00 54.13 53.59 3h3m s LEU 69 Cb -0.09 -0.47 0.23 0.00 0.02 0.00 0.00 46.19 45.89 3h3m s LEU 69 CO 0.41 -0.32 1.03 -0.90 0.02 0.00 0.00 176.35 176.58 3h3m n ASP 70 N -0.36 0.00 0.00 2.29 5.75 -1.26 -4.78 116.55 118.19 3h3m n ASP 70 Ca -0.08 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3h3m n ASP 70 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 3h3m n ASP 70 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3h3m n GLU 71 N -0.57 0.00 -0.00 0.11 4.07 -1.26 -4.36 120.64 118.62 3h3m n GLU 71 Ca 0.03 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.01 3h3m n GLU 71 Cb 0.01 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.31 3h3m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3h3m h ALA 72 N 0.00 0.04 0.00 4.31 0.00 -2.01 -3.07 119.26 118.54 3h3m h ALA 72 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h3m h ALA 72 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h3m h ALA 72 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3h3m n ALA 73 N -2.26 2.25 -0.07 0.00 0.00 -1.26 -3.60 120.51 115.57 3h3m n ALA 73 Ca -0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 3h3m n ALA 73 Cb 0.17 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 3h3m n ALA 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h3m h ARG 74 N 0.00 0.00 -1.99 0.00 2.43 -1.85 -3.14 114.38 109.82 3h3m h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h3m h ARG 74 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3h3m h ARG 74 CO 0.00 0.68 0.00 0.41 -1.51 0.00 0.00 179.97 179.55 3h3m n GLY 75 N 1.66 0.08 0.01 2.80 0.00 -1.16 -1.15 105.19 107.42 3h3m n GLY 75 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3h3m n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h3m n LYS 77 N 1.15 0.00 -0.25 1.61 4.81 -1.19 -1.94 118.16 122.36 3h3m n LYS 77 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3h3m n LYS 77 Cb 0.00 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.21 3h3m n LYS 77 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 3h3m h PHE 78 N 0.00 0.05 0.25 5.64 3.57 -1.43 0.15 116.94 125.17 3h3m h PHE 78 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3h3m h PHE 78 Cb 0.00 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3h3m h PHE 78 CO 0.00 -0.19 -0.17 -0.44 -2.23 0.00 0.00 178.31 175.28 3h3m h ASP 79 N 0.15 -0.44 -0.71 0.41 5.19 -1.64 -1.17 116.42 118.20 3h3m h ASP 79 Ca 0.40 0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.99 3h3m h ASP 79 Cb 0.71 0.14 -0.10 0.00 0.18 0.00 0.00 39.33 40.26 3h3m h ASP 79 CO -0.60 -0.27 0.23 -0.07 -3.12 0.00 0.00 179.24 175.40 3h3m h LEU 80 N -0.42 0.15 -0.03 1.55 3.38 -1.50 0.20 115.31 118.65 3h3m h LEU 80 Ca -0.02 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3h3m h LEU 80 Cb 0.36 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3h3m h LEU 80 CO 0.00 0.05 0.01 -0.07 0.09 0.00 0.00 178.44 178.52 3h3m h LEU 81 N 0.35 0.03 -0.87 1.67 3.38 -0.61 0.16 115.31 119.42 3h3m h LEU 81 Ca 0.39 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.39 3h3m h LEU 81 Cb 0.61 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 3h3m h LEU 81 CO -0.43 0.12 0.49 0.58 0.09 0.00 0.00 178.44 179.29 3h3m h VAL 82 N -0.06 0.84 -0.48 1.22 2.07 -0.51 0.14 116.25 119.47 3h3m h VAL 82 Ca 0.01 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3h3m h VAL 82 Cb 0.09 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3h3m h VAL 82 CO -0.00 0.14 0.09 -0.09 0.02 0.00 0.00 177.57 177.72 3h3m h ARG 83 N 0.76 0.78 -0.12 1.57 9.65 -0.52 0.37 114.38 126.87 3h3m h ARG 83 Ca 0.45 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 59.11 3h3m h ARG 83 Cb 0.51 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.99 3h3m h ARG 83 CO -0.30 0.79 0.03 0.82 2.80 0.00 0.00 179.97 184.11 3h3m h ILE 84 N 0.66 1.21 -0.42 1.20 2.04 0.31 -0.64 117.51 121.86 3h3m h ILE 84 Ca 0.15 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3h3m h ILE 84 Cb 0.38 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3h3m h ILE 84 CO 0.01 0.19 0.23 -0.07 0.00 0.00 0.00 178.15 178.50 3h3m h LEU 85 N -0.01 0.53 -1.08 1.44 3.38 -0.73 -0.93 115.31 117.91 3h3m h LEU 85 Ca 0.04 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3h3m h LEU 85 Cb 0.27 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3h3m h LEU 85 CO 0.00 0.48 0.62 -0.33 0.09 0.00 0.00 178.44 179.30 3h3m h GLU 86 N 0.55 1.14 -0.62 1.13 5.08 -0.83 0.02 114.58 121.05 3h3m h GLU 86 Ca 0.15 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3h3m h GLU 86 Cb 0.07 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3h3m h GLU 86 CO -0.02 0.75 0.04 -0.91 -1.00 0.00 0.00 179.01 177.87 3h3m h ASN 87 N 1.17 1.04 -0.33 1.42 2.35 -0.86 -0.57 115.58 119.81 3h3m h ASN 87 Ca 0.38 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3h3m h ASN 87 Cb 0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3h3m h ASN 87 CO -0.12 1.07 0.13 0.44 -1.65 0.00 0.00 177.43 177.30 3h3m h ASP 88 N 0.97 0.45 -0.79 5.81 5.19 -0.64 -1.68 116.42 125.73 3h3m h ASP 88 Ca 0.18 -0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 3h3m h ASP 88 Cb 0.52 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.88 3h3m h ASP 88 CO 0.02 0.49 0.34 0.00 -3.12 0.00 0.00 179.24 176.98 3h3m h ALA 89 N 0.97 1.03 -0.45 3.45 0.00 -0.86 -2.82 119.26 120.58 3h3m h ALA 89 Ca 0.11 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3h3m h ALA 89 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3h3m h ALA 89 CO -0.01 0.63 -0.19 0.00 0.00 0.00 0.00 179.25 179.68 3h3m h ALA 90 N 1.18 0.82 -0.04 0.00 0.00 -0.77 -0.75 119.26 119.71 3h3m h ALA 90 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h3m h ALA 90 Cb 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h3m h ALA 90 CO -0.03 0.65 0.00 0.28 0.00 0.00 0.00 179.25 180.15 3h3m h VAL 91 N 0.77 0.98 -0.99 0.00 2.07 -1.19 -1.90 116.25 115.99 3h3m h VAL 91 Ca 0.11 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3h3m h VAL 91 Cb 0.72 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3h3m h VAL 91 CO 0.06 0.00 0.65 -0.09 0.02 0.00 0.00 177.57 178.21 3h3m h ARG 92 N 0.02 1.26 0.00 1.57 2.43 -1.26 -1.90 114.38 116.50 3h3m h ARG 92 Ca 0.02 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3h3m h ARG 92 Cb 0.02 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 3h3m h ARG 92 CO -0.02 0.83 0.00 -0.25 -1.51 0.00 0.00 179.97 179.02 3h3m n ASP 93 N -4.43 0.35 -0.00 -3.80 8.00 -0.31 -1.18 116.55 115.19 3h3m n ASP 93 Ca 0.13 0.55 -0.20 0.00 0.71 0.00 0.00 54.79 55.98 3h3m n ASP 93 Cb 0.06 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.38 3h3m n ASP 93 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3h3m n LEU 94 N -1.85 2.46 -0.02 0.64 4.77 -0.75 -4.61 117.00 117.65 3h3m n LEU 94 Ca 0.05 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.05 3h3m n LEU 94 Cb 0.31 -0.98 -0.13 0.00 -2.33 0.00 0.00 43.42 40.29 3h3m n LEU 94 CO 0.24 0.81 -0.25 0.00 -1.33 0.00 0.00 177.39 176.86 3h3m h ALA 95 N 0.17 0.13 -0.07 -1.18 0.00 -1.19 -3.39 119.26 113.73 3h3m h ALA 95 Ca -0.41 -0.96 -0.11 0.00 0.00 0.00 0.00 54.91 53.42 3h3m h ALA 95 Cb 2.03 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 3h3m h ALA 95 CO 0.08 0.62 -0.48 -0.07 0.00 0.00 0.00 179.25 179.40 3h3m h LEU 96 N -0.53 0.19 -1.03 0.00 3.38 -1.39 -0.76 115.31 115.17 3h3m h LEU 96 Ca -0.24 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 3h3m h LEU 96 Cb 1.55 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 3h3m h LEU 96 CO 0.02 0.64 -0.28 -0.65 0.09 0.00 0.00 178.44 178.26 3h3m h PRO 97 N 0.14 0.35 -0.57 1.13 0.11 -1.78 0.93 132.00 132.31 3h3m h PRO 97 Ca 0.01 -0.13 -0.11 0.00 0.11 0.00 0.00 66.00 65.88 3h3m h PRO 97 Cb 0.90 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 3h3m h PRO 97 CO 0.07 0.61 -0.07 1.96 -0.21 0.00 0.00 178.00 180.36 3h3m h GLN 98 N 0.31 1.05 0.34 1.05 4.20 -1.58 -2.22 115.11 118.27 3h3m h GLN 98 Ca 0.05 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 3h3m h GLN 98 Cb 0.66 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3h3m h GLN 98 CO 0.05 1.07 -0.16 1.25 -0.67 0.00 0.00 178.83 180.36 3h3m h LEU 99 N 0.94 -0.38 -0.43 1.46 5.85 -0.72 -2.03 115.31 120.00 3h3m h LEU 99 Ca 0.15 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.84 3h3m h LEU 99 Cb 0.64 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.67 3h3m h LEU 99 CO 0.04 -0.10 -0.36 0.00 -0.34 0.00 0.00 178.44 177.68 3h3m h ALA 100 N -0.09 -0.25 -0.29 1.25 0.00 -0.85 0.12 119.26 119.15 3h3m h ALA 100 Ca -0.05 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3h3m h ALA 100 Cb 0.47 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 3h3m h ALA 100 CO 0.08 -0.77 -0.25 -0.09 0.00 0.00 0.00 179.25 178.21 3h3m h ARG 101 N -0.27 -0.23 -0.08 0.00 9.65 -1.41 -1.03 114.38 121.01 3h3m h ARG 101 Ca 0.17 0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.93 3h3m h ARG 101 Cb 0.56 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 3h3m h ARG 101 CO -0.57 -0.15 -0.56 -0.07 2.80 0.00 0.00 179.97 181.41 3h3m h LEU 102 N -0.24 0.28 -0.23 3.80 3.38 -0.77 -2.74 115.31 118.79 3h3m h LEU 102 Ca 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h3m h LEU 102 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3h3m h LEU 102 CO -0.43 0.79 0.10 0.28 0.09 0.00 0.00 178.44 179.27 3h3m h SER 103 N 0.19 0.32 -1.18 -0.43 0.02 -0.50 -2.63 113.55 109.34 3h3m h SER 103 Ca -0.00 -0.16 0.34 0.00 -0.84 0.00 0.00 61.79 61.13 3h3m h SER 103 Cb 1.05 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 63.41 3h3m h SER 103 CO 0.09 0.39 0.78 -0.78 -1.14 0.00 0.00 176.83 176.17 3h3m h ASP 104 N 0.23 0.29 0.06 3.07 3.58 -0.89 -2.96 116.42 119.80 3h3m h ASP 104 Ca 0.08 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 3h3m h ASP 104 Cb 0.17 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3h3m h ASP 104 CO -0.01 -0.01 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.24 3h3m h LEU 105 N 0.22 -0.07 0.00 2.28 3.38 -1.37 -3.52 115.31 116.24 3h3m h LEU 105 Ca 0.67 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3h3m h LEU 105 Cb 2.02 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3h3m h LEU 105 CO -0.27 0.53 0.00 0.18 0.09 0.00 0.00 178.44 178.96