#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3m n VAL 20 N 0.00 1.10 -0.00 -1.45 3.14 -1.26 -1.16 118.33 118.70 3h3m n VAL 20 Ca 0.00 0.61 -0.01 0.00 -2.96 0.00 0.00 64.34 61.99 3h3m n VAL 20 Cb 0.00 -1.61 0.28 0.00 -1.06 0.00 0.00 33.84 31.44 3h3m n VAL 20 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3h3m h LEU 21 N 0.00 0.50 -0.52 6.55 3.38 -1.98 -2.74 115.31 120.48 3h3m h LEU 21 Ca 0.00 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3h3m h LEU 21 Cb 0.35 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3h3m h LEU 21 CO 0.00 0.60 0.25 -0.33 0.09 0.00 0.00 178.44 179.05 3h3m h GLU 22 N 0.49 0.46 0.44 1.13 4.39 -1.57 0.54 114.58 120.47 3h3m h GLU 22 Ca 0.10 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 3h3m h GLU 22 Cb 0.39 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3h3m h GLU 22 CO 0.02 0.31 -0.21 0.82 -1.16 0.00 0.00 179.01 178.78 3h3m h ILE 23 N 0.48 0.52 -1.00 3.13 2.04 -1.69 0.96 117.51 121.95 3h3m h ILE 23 Ca 0.24 -0.36 0.18 0.00 1.00 0.00 0.00 64.86 65.92 3h3m h ILE 23 Cb 0.18 0.68 -0.10 0.00 -0.74 0.00 0.00 36.82 36.84 3h3m h ILE 23 CO -0.19 0.06 0.62 1.88 0.00 0.00 0.00 178.15 180.52 3h3m h TYR 24 N -0.82 1.06 -0.23 1.37 -1.99 -1.23 0.30 116.97 115.42 3h3m h TYR 24 Ca -0.06 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 3h3m h TYR 24 Cb 0.55 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 3h3m h TYR 24 CO 0.00 0.26 0.04 0.37 -0.00 0.00 0.00 178.16 178.83 3h3m h GLN 25 N 0.78 0.39 -0.64 4.88 5.75 0.53 -0.99 115.11 125.81 3h3m h GLN 25 Ca 0.56 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 58.89 3h3m h GLN 25 Cb 0.85 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 3h3m h GLN 25 CO -0.36 0.52 0.13 -0.44 -2.65 0.00 0.00 178.83 176.04 3h3m h ASP 26 N 0.19 0.96 -0.37 -0.69 3.32 0.13 -0.97 116.42 119.00 3h3m h ASP 26 Ca 0.07 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 3h3m h ASP 26 Cb 0.32 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3h3m h ASP 26 CO 0.00 0.94 -0.09 0.40 -1.72 0.00 0.00 179.24 178.78 3h3m h ILE 27 N 0.96 1.28 0.06 0.35 2.04 -0.38 -1.69 117.51 120.13 3h3m h ILE 27 Ca 0.20 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.92 3h3m h ILE 27 Cb 0.37 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3h3m h ILE 27 CO 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 178.15 178.36 3h3m h ALA 28 N 0.83 -0.27 -0.47 1.87 0.00 -0.74 -2.05 119.26 118.43 3h3m h ALA 28 Ca 0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3h3m h ALA 28 Cb 0.60 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3h3m h ALA 28 CO 0.04 -0.69 0.15 -0.91 0.00 0.00 0.00 179.25 177.83 3h3m h ASN 29 N -0.33 0.12 -0.95 0.00 2.35 -1.17 -1.37 115.58 114.24 3h3m h ASN 29 Ca 0.04 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3h3m h ASN 29 Cb 0.37 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 3h3m h ASN 29 CO -0.13 0.10 0.61 0.25 -1.65 0.00 0.00 177.43 176.61 3h3m h LEU 30 N 0.31 0.98 -1.15 1.61 5.85 -1.18 -1.26 115.31 120.47 3h3m h LEU 30 Ca 0.23 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3h3m h LEU 30 Cb 0.26 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3h3m h LEU 30 CO -0.25 0.63 -0.27 0.71 -0.34 0.00 0.00 178.44 178.92 3h3m h THR 31 N 1.12 0.69 -0.13 1.05 1.35 -0.54 -2.10 112.91 114.35 3h3m h THR 31 Ca 0.41 -1.20 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 3h3m h THR 31 Cb 0.14 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3h3m h THR 31 CO -0.16 0.27 -0.09 0.28 -0.25 0.00 0.00 175.52 175.57 3h3m h SER 32 N 0.00 0.31 0.00 5.36 0.02 -0.38 -0.53 113.55 118.33 3h3m h SER 32 Ca -0.00 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3h3m h SER 32 Cb 0.75 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3h3m h SER 32 CO 0.04 0.68 0.00 0.54 -1.14 0.00 0.00 176.83 176.94 3h3m n ARG 33 N -4.64 0.00 0.00 3.45 1.74 -0.64 -0.95 116.66 115.62 3h3m n ARG 33 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3h3m n ARG 33 Cb 0.31 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.87 0.00 -0.31 0.55 7.94 -0.21 -1.45 117.00 124.38 3h3m n LEU 35 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3h3m n LEU 35 Cb 0.00 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.07 3h3m n LEU 35 CO 0.00 0.00 1.21 0.00 -1.11 0.00 0.00 177.39 177.49 3h3m h ALA 36 N 0.00 1.15 0.06 1.96 0.00 -1.32 0.49 119.26 121.60 3h3m h ALA 36 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h3m h ALA 36 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3h3m h ALA 36 CO 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 179.60 3h3m h ALA 37 N 1.37 -0.08 -0.44 0.00 0.00 -1.50 -2.80 119.26 115.79 3h3m h ALA 37 Ca 0.35 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3h3m h ALA 37 Cb 0.04 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 3h3m h ALA 37 CO -0.13 -0.41 -0.33 0.00 0.00 0.00 0.00 179.25 178.39 3h3m h ALA 38 N 0.55 -0.16 -0.99 0.00 0.00 -1.75 0.22 119.26 117.13 3h3m h ALA 38 Ca -0.01 0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.25 3h3m h ALA 38 Cb 0.32 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 3h3m h ALA 38 CO 0.01 -0.72 0.64 -0.91 0.00 0.00 0.00 179.25 178.28 3h3m h ASN 39 N -0.23 0.48 0.01 0.00 2.35 -0.87 0.34 115.58 117.65 3h3m h ASN 39 Ca 0.18 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3h3m h ASN 39 Cb 0.54 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3h3m h ASN 39 CO -0.57 0.14 -0.01 0.00 -1.65 0.00 0.00 177.43 175.33 3h3m n ALA 40 N -2.47 2.62 -1.85 -0.83 0.00 0.62 -4.94 120.51 113.68 3h3m n ALA 40 Ca 0.23 -0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 3h3m n ALA 40 Cb 0.78 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.15 -5.07 -4.05 0.00 7.64 0.12 -4.93 113.62 107.19 3h3m n SER 41 Ca 0.20 0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.89 3h3m n SER 41 Cb 0.30 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 3h3m n SER 41 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3h3m n ASN 42 N -0.99 5.19 0.03 6.43 5.15 -0.85 -4.84 115.26 125.37 3h3m n ASN 42 Ca -0.19 -3.09 0.03 0.00 -0.60 0.00 0.00 54.58 50.73 3h3m n ASN 42 Cb 0.60 -1.49 0.39 0.00 -0.53 0.00 0.00 39.78 38.74 3h3m n ASN 42 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 3h3m h TRP 43 N 6.13 0.47 -0.49 1.20 4.06 -1.92 -1.64 115.95 123.76 3h3m h TRP 43 Ca 0.36 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.33 3h3m h TRP 43 Cb 0.70 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.68 3h3m h TRP 43 CO 1.19 0.39 0.27 -0.44 -3.56 0.00 0.00 178.44 176.29 3h3m h ASP 44 N 0.47 0.41 -0.35 -3.49 3.32 -1.98 0.23 116.42 115.03 3h3m h ASP 44 Ca 0.12 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3h3m h ASP 44 Cb 0.13 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3h3m h ASP 44 CO -0.01 0.29 -0.17 0.25 -1.72 0.00 0.00 179.24 177.88 3h3m h LEU 45 N 0.53 0.75 -0.50 1.55 5.85 -1.75 0.10 115.31 121.84 3h3m h LEU 45 Ca 0.20 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.59 3h3m h LEU 45 Cb 0.07 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 3h3m h LEU 45 CO -0.12 0.99 0.14 0.58 -0.34 0.00 0.00 178.44 179.69 3h3m h VAL 46 N 0.51 0.77 -0.61 1.05 2.07 -1.02 -1.70 116.25 117.32 3h3m h VAL 46 Ca 0.08 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3h3m h VAL 46 Cb 0.71 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3h3m h VAL 46 CO 0.05 0.05 0.41 -0.07 0.02 0.00 0.00 177.57 178.03 3h3m h LEU 47 N 0.29 0.70 -0.42 2.57 3.38 -0.16 -2.50 115.31 119.17 3h3m h LEU 47 Ca 0.25 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 3h3m h LEU 47 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3h3m h LEU 47 CO -0.29 0.51 -0.66 0.78 0.09 0.00 0.00 178.44 178.87 3h3m h ASN 48 N 0.83 0.60 0.44 -0.43 4.21 -0.10 -2.44 115.58 118.69 3h3m h ASN 48 Ca 0.23 -0.36 -0.04 0.00 1.21 0.00 0.00 56.30 57.33 3h3m h ASN 48 Cb -0.09 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 36.93 3h3m h ASN 48 CO -0.05 1.10 -0.19 0.45 -1.29 0.00 0.00 177.43 177.45 3h3m h HIS 49 N 0.38 0.00 -0.05 1.19 -0.00 -1.28 -3.01 115.15 112.38 3h3m h HIS 49 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 3h3m h HIS 49 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 3h3m h HIS 49 CO 0.05 0.19 -0.14 0.78 -0.00 0.00 0.00 177.93 178.81 3h3m h GLY 50 N 1.08 0.08 1.00 2.45 0.00 -0.97 0.28 103.07 106.99 3h3m h GLY 50 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3h3m h GLY 50 CO 0.02 0.04 0.39 1.46 0.00 0.00 0.00 176.54 178.46 3h3m h GLN 51 N 0.07 0.82 -0.43 4.80 7.50 -1.55 -2.21 115.11 124.11 3h3m h GLN 51 Ca 0.02 -0.06 -0.10 0.00 0.50 0.00 0.00 58.65 59.00 3h3m h GLN 51 Cb 0.30 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 3h3m h GLN 51 CO 0.02 0.57 -0.11 1.49 -1.50 0.00 0.00 178.83 179.29 3h3m h GLU 52 N 0.83 0.84 0.60 1.46 4.81 -1.12 -1.82 114.58 120.19 3h3m h GLU 52 Ca 0.22 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3h3m h GLU 52 Cb -0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3h3m h GLU 52 CO -0.04 0.96 -0.38 -0.92 -0.73 0.00 0.00 179.01 177.90 3h3m h TYR 53 N 0.67 -1.01 -0.38 0.92 3.20 -1.08 -0.68 116.97 118.62 3h3m h TYR 53 Ca 0.11 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.04 3h3m h TYR 53 Cb 0.65 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 39.21 3h3m h TYR 53 CO 0.05 -0.57 -0.09 0.28 -1.64 0.00 0.00 178.16 176.19 3h3m h VAL 54 N -0.93 0.63 -0.79 1.81 2.07 -1.37 0.40 116.25 118.06 3h3m h VAL 54 Ca -0.07 -0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 3h3m h VAL 54 Cb 0.76 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 3h3m h VAL 54 CO 0.07 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.06 3h3m h LEU 56 N 0.63 0.78 -0.64 0.00 3.38 0.44 -0.82 115.31 119.08 3h3m h LEU 56 Ca 0.41 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3h3m h LEU 56 Cb 0.50 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3h3m h LEU 56 CO -0.31 1.00 0.35 0.58 0.09 0.00 0.00 178.44 180.14 3h3m h VAL 57 N 0.55 0.97 -0.03 1.22 2.07 0.26 -1.44 116.25 119.85 3h3m h VAL 57 Ca 0.09 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 3h3m h VAL 57 Cb 0.69 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3h3m h VAL 57 CO 0.05 0.12 -0.79 -0.33 0.02 0.00 0.00 177.57 176.64 3h3m h GLU 58 N 0.66 0.29 -0.36 1.57 4.39 -0.71 -2.08 114.58 118.33 3h3m h GLU 58 Ca 0.28 -0.27 0.11 0.00 0.34 0.00 0.00 59.36 59.82 3h3m h GLU 58 Cb 0.17 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3h3m h GLU 58 CO -0.17 0.94 0.31 -0.09 -1.16 0.00 0.00 179.01 178.83 3h3m h ARG 59 N 0.18 0.00 -0.06 2.33 9.65 -0.84 -2.52 114.38 123.12 3h3m h ARG 59 Ca -0.04 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3h3m h ARG 59 Cb 1.38 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.95 3h3m h ARG 59 CO 0.13 0.00 -0.04 -0.07 2.80 0.00 0.00 179.97 182.79 3h3m h LEU 60 N 0.00 0.14 -6.62 3.80 3.38 -0.54 -3.36 115.31 112.11 3h3m h LEU 60 Ca 0.17 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 3h3m h LEU 60 Cb 0.78 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.53 3h3m h LEU 60 CO -0.00 0.55 0.82 0.54 0.09 0.00 0.00 178.44 180.44 3h3m n ARG 61 N -4.77 0.00 0.00 1.13 1.74 -0.95 -5.12 116.66 108.69 3h3m n ARG 61 Ca -0.07 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.55 3h3m n ARG 61 Cb 0.27 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3h3m n ARG 61 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3h3m n GLU 62 N 4.99 0.00 0.00 5.56 2.13 -1.26 -5.06 120.64 126.99 3h3m n GLU 62 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 3h3m n GLU 62 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.83 3h3m n GLU 62 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3h3m n LEU 69 N 0.00 0.00 -4.74 4.31 7.99 -1.26 -5.10 117.00 118.19 3h3m n LEU 69 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.71 3h3m n LEU 69 Cb 0.00 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 43.48 3h3m n LEU 69 CO 0.00 0.00 0.70 1.51 -1.51 0.00 0.00 177.39 178.09 3h3m s ASP 70 N 0.00 2.78 0.05 -1.43 3.84 -1.26 -4.74 116.67 115.92 3h3m s ASP 70 Ca 0.00 0.87 -0.19 0.00 -0.00 0.00 0.00 52.55 53.23 3h3m s ASP 70 Cb 0.00 -1.34 -0.13 0.00 -1.38 0.00 0.00 42.92 40.06 3h3m s ASP 70 CO 0.00 -3.00 1.35 -0.08 -0.00 0.00 0.00 175.17 173.44 3h3m h GLU 71 N -1.81 0.46 -0.92 2.11 4.81 -2.05 0.34 114.58 117.53 3h3m h GLU 71 Ca -0.50 -0.26 0.16 0.00 -0.13 0.00 0.00 59.36 58.63 3h3m h GLU 71 Cb 1.32 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.61 3h3m h GLU 71 CO 0.53 0.84 0.52 0.00 -0.73 0.00 0.00 179.01 180.17 3h3m h ALA 72 N 0.62 1.43 -0.10 2.92 0.00 -1.99 0.12 119.26 122.26 3h3m h ALA 72 Ca 0.02 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3h3m h ALA 72 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3h3m h ALA 72 CO 0.05 -0.03 -0.58 0.00 0.00 0.00 0.00 179.25 178.69 3h3m h ALA 73 N 1.58 0.81 0.03 0.00 0.00 -1.70 -3.13 119.26 116.85 3h3m h ALA 73 Ca 0.50 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 3h3m h ALA 73 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3h3m h ALA 73 CO -0.36 0.71 -0.99 0.00 0.00 0.00 0.00 179.25 178.61 3h3m h ARG 74 N 0.25 0.25 -0.74 0.00 3.08 0.00 -1.66 114.38 115.56 3h3m h ARG 74 Ca -0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3h3m h ARG 74 Cb 1.09 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3h3m h ARG 74 CO 0.10 1.06 0.00 0.41 -1.07 0.00 0.00 179.97 180.46 3h3m n GLY 75 N 1.09 0.14 0.71 0.04 0.00 0.34 -1.03 105.19 106.48 3h3m n GLY 75 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.64 0.00 -0.18 1.61 4.81 -0.63 -1.68 118.16 122.73 3h3m n LYS 77 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 3h3m n LYS 77 Cb 0.03 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.12 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 0.59 -0.85 5.64 3.57 -1.35 -0.78 116.94 123.77 3h3m h PHE 78 Ca 0.00 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.68 3h3m h PHE 78 Cb 0.00 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 3h3m h PHE 78 CO 0.00 0.34 0.56 -0.44 -2.23 0.00 0.00 178.31 176.53 3h3m h ASP 79 N 0.63 0.48 0.02 0.41 3.32 -1.57 -1.10 116.42 118.61 3h3m h ASP 79 Ca 0.21 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 3h3m h ASP 79 Cb 0.02 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.53 3h3m h ASP 79 CO -0.10 0.23 -0.61 -0.07 -1.72 0.00 0.00 179.24 176.97 3h3m h LEU 80 N 0.50 0.50 -0.12 1.55 3.38 -1.59 -2.79 115.31 116.73 3h3m h LEU 80 Ca 0.43 -0.79 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3h3m h LEU 80 Cb 0.92 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3h3m h LEU 80 CO -0.17 1.23 -0.17 0.25 0.09 0.00 0.00 178.44 179.67 3h3m h LEU 81 N -0.18 -0.53 -1.23 1.67 7.12 -0.86 0.25 115.31 121.54 3h3m h LEU 81 Ca -0.08 0.09 0.05 0.00 0.13 0.00 0.00 57.88 58.07 3h3m h LEU 81 Cb 1.34 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 41.67 3h3m h LEU 81 CO 0.12 -0.22 0.54 0.58 -0.13 0.00 0.00 178.44 179.33 3h3m h VAL 82 N -0.22 1.08 -0.17 1.05 2.07 -1.24 0.86 116.25 119.68 3h3m h VAL 82 Ca 0.09 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3h3m h VAL 82 Cb 0.36 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3h3m h VAL 82 CO -0.25 0.17 -0.04 -0.09 0.02 0.00 0.00 177.57 177.39 3h3m h ARG 83 N 0.95 0.32 -0.45 1.57 2.43 -1.09 0.92 114.38 119.03 3h3m h ARG 83 Ca 0.35 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 3h3m h ARG 83 Cb 0.15 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3h3m h ARG 83 CO -0.12 0.58 0.16 0.82 -1.51 0.00 0.00 179.97 179.91 3h3m h ILE 84 N 0.03 0.86 -0.25 1.20 2.04 0.51 -0.29 117.51 121.61 3h3m h ILE 84 Ca 0.04 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3h3m h ILE 84 Cb 0.46 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3h3m h ILE 84 CO 0.02 0.06 0.15 -0.07 0.00 0.00 0.00 178.15 178.30 3h3m h LEU 85 N 0.33 0.30 -1.24 1.44 3.38 -0.80 -1.62 115.31 117.10 3h3m h LEU 85 Ca 0.21 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3h3m h LEU 85 Cb 0.21 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3h3m h LEU 85 CO -0.22 0.28 0.50 -0.33 0.09 0.00 0.00 178.44 178.77 3h3m h GLU 86 N 0.30 1.01 -0.31 1.13 5.08 -0.68 -2.80 114.58 118.31 3h3m h GLU 86 Ca 0.09 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 3h3m h GLU 86 Cb 0.04 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3h3m h GLU 86 CO -0.02 0.68 -0.44 -0.91 -1.00 0.00 0.00 179.01 177.32 3h3m h ASN 87 N 1.04 0.93 -0.51 1.42 2.35 -0.61 0.12 115.58 120.32 3h3m h ASN 87 Ca 0.28 -0.50 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 3h3m h ASN 87 Cb -0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 37.97 3h3m h ASN 87 CO -0.06 1.25 0.26 0.44 -1.65 0.00 0.00 177.43 177.67 3h3m h ASP 88 N 0.63 0.66 -0.46 5.81 3.32 -1.33 -0.23 116.42 124.82 3h3m h ASP 88 Ca 0.03 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 3h3m h ASP 88 Cb 1.04 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3h3m h ASP 88 CO 0.10 0.59 -0.23 0.00 -1.72 0.00 0.00 179.24 177.99 3h3m h ALA 89 N 1.10 0.70 -0.74 3.45 0.00 -1.22 -1.83 119.26 120.71 3h3m h ALA 89 Ca 0.18 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3h3m h ALA 89 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3h3m h ALA 89 CO -0.02 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.12 3h3m h ALA 90 N 0.89 0.98 -0.24 0.00 0.00 -0.28 -0.48 119.26 120.12 3h3m h ALA 90 Ca 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3h3m h ALA 90 Cb 0.81 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3h3m h ALA 90 CO 0.07 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.28 3h3m h VAL 91 N 1.11 1.25 -0.57 0.00 2.07 -0.89 -2.43 116.25 116.80 3h3m h VAL 91 Ca 0.24 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.95 3h3m h VAL 91 Cb 0.33 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3h3m h VAL 91 CO -0.00 0.27 0.27 0.03 0.02 0.00 0.00 177.57 178.16 3h3m h ARG 92 N 0.20 0.50 -0.13 1.57 3.08 -1.03 0.14 114.38 118.72 3h3m h ARG 92 Ca 0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3h3m h ARG 92 Cb 0.39 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3h3m h ARG 92 CO 0.01 0.33 0.04 -0.44 -1.07 0.00 0.00 179.97 178.84 3h3m h ASP 93 N 0.51 0.15 0.05 7.04 3.32 -0.97 -0.48 116.42 126.06 3h3m h ASP 93 Ca 0.26 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3h3m h ASP 93 Cb 0.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3h3m h ASP 93 CO -0.20 0.15 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.38 3h3m h LEU 94 N 0.17 -0.06 -0.38 1.55 3.38 -0.89 -3.40 115.31 115.68 3h3m h LEU 94 Ca 0.04 -0.57 -0.12 0.00 0.09 0.00 0.00 57.88 57.33 3h3m h LEU 94 Cb 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3h3m h LEU 94 CO -0.00 0.66 -0.23 0.00 0.09 0.00 0.00 178.44 178.95 3h3m h ALA 95 N -0.23 0.54 -0.05 1.53 0.00 -0.50 -3.36 119.26 117.19 3h3m h ALA 95 Ca -0.01 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 3h3m h ALA 95 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h3m h ALA 95 CO 0.01 0.52 -0.86 -0.07 0.00 0.00 0.00 179.25 178.86 3h3m h LEU 96 N 0.63 0.59 -1.10 0.00 3.38 -1.31 -1.98 115.31 115.51 3h3m h LEU 96 Ca 0.08 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 3h3m h LEU 96 Cb 0.80 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3h3m h LEU 96 CO 0.07 1.21 -0.14 -0.65 0.09 0.00 0.00 178.44 179.02 3h3m h PRO 97 N 0.30 0.47 -0.51 1.13 0.11 -1.78 0.37 132.00 132.08 3h3m h PRO 97 Ca -0.06 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 3h3m h PRO 97 Cb 1.47 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.51 3h3m h PRO 97 CO 0.15 0.60 0.22 1.96 -0.21 0.00 0.00 178.00 180.73 3h3m h GLN 98 N 0.43 0.75 -0.41 1.05 4.20 -1.67 -2.25 115.11 117.21 3h3m h GLN 98 Ca 0.08 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 3h3m h GLN 98 Cb 0.50 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3h3m h GLN 98 CO 0.03 0.65 -0.11 1.25 -0.67 0.00 0.00 178.83 179.97 3h3m h LEU 99 N 0.68 0.81 -0.73 1.46 5.85 -1.04 -1.26 115.31 121.08 3h3m h LEU 99 Ca 0.17 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.58 3h3m h LEU 99 Cb 0.16 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3h3m h LEU 99 CO -0.02 0.99 0.42 0.00 -0.34 0.00 0.00 178.44 179.50 3h3m h ALA 100 N 0.85 0.99 0.00 1.25 0.00 -0.10 -1.39 119.26 120.85 3h3m h ALA 100 Ca 0.10 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 3h3m h ALA 100 Cb 0.65 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3h3m h ALA 100 CO 0.04 0.12 -1.12 0.07 0.00 0.00 0.00 179.25 178.37 3h3m h ARG 101 N 0.78 0.00 -0.24 0.00 0.11 -1.21 -2.95 114.38 110.86 3h3m h ARG 101 Ca 0.32 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.22 3h3m h ARG 101 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 3h3m h ARG 101 CO -0.18 0.74 -0.59 -0.07 0.10 0.00 0.00 179.97 179.97 3h3m h LEU 102 N 0.00 0.87 -1.23 0.08 3.38 -1.10 -2.87 115.31 114.43 3h3m h LEU 102 Ca -0.09 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 3h3m h LEU 102 Cb 1.75 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3h3m h LEU 102 CO 0.10 1.26 -0.02 0.28 0.09 0.00 0.00 178.44 180.16 3h3m h SER 103 N 0.58 0.48 -0.55 -0.43 0.02 -1.29 -1.93 113.55 110.43 3h3m h SER 103 Ca 0.00 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 3h3m h SER 103 Cb 1.18 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3h3m h SER 103 CO 0.12 0.56 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.56 3h3m h ASP 104 N 0.49 1.00 0.44 3.07 1.82 -1.55 -3.00 116.42 118.69 3h3m h ASP 104 Ca 0.10 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.43 3h3m h ASP 104 Cb 0.34 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.08 3h3m h ASP 104 CO 0.01 1.07 -0.21 0.25 -1.61 0.00 0.00 179.24 178.75 3h3m h LEU 105 N 0.93 -0.50 -0.82 2.28 5.85 -1.30 -3.52 115.31 118.23 3h3m h LEU 105 Ca 0.16 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3h3m h LEU 105 Cb 0.58 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3h3m h LEU 105 CO 0.03 -0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.13