#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8u n ALA 2 N 0.00 -0.12 -2.64 3.04 0.00 -0.30 -4.96 120.51 115.52 2r8u n ALA 2 Ca 0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 2r8u n ALA 2 Cb 0.00 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.23 2r8u n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2r8u s VAL 3 N -1.99 4.60 0.46 0.00 1.01 -1.26 -4.90 120.40 118.31 2r8u s VAL 3 Ca 0.73 1.90 -0.17 0.00 0.00 0.00 0.00 61.98 64.44 2r8u s VAL 3 Cb -0.31 -4.34 -0.09 0.00 0.00 0.00 0.00 36.38 31.64 2r8u s VAL 3 CO 0.51 -0.30 0.93 0.20 0.00 0.00 0.00 175.10 176.44 2r8u s ASN 4 N 1.42 6.72 -0.10 3.32 0.01 -1.26 -4.84 114.94 120.21 2r8u s ASN 4 Ca 0.45 1.54 0.02 0.00 -0.71 0.00 0.00 52.86 54.15 2r8u s ASN 4 Cb -0.14 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2r8u s ASN 4 CO 0.10 -0.47 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.39 2r8u s VAL 5 N -2.42 1.42 0.37 1.60 1.01 -1.26 -5.06 120.40 116.06 2r8u s VAL 5 Ca 0.59 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.05 2r8u s VAL 5 Cb -0.10 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2r8u s VAL 5 CO 0.25 0.42 0.08 -0.31 0.00 0.00 0.00 175.10 175.54 2r8u s TYR 6 N 0.94 2.58 0.54 5.22 2.02 -1.26 -5.00 117.35 122.39 2r8u s TYR 6 Ca -0.08 -0.50 0.23 0.00 -0.37 0.00 0.00 57.07 56.35 2r8u s TYR 6 Cb -0.15 -1.68 1.40 0.00 -0.40 0.00 0.00 41.96 41.13 2r8u s TYR 6 CO -0.01 0.37 2.06 0.77 -1.57 0.00 0.00 175.55 177.17 2r8u h SER 7 N 1.66 0.00 0.45 2.29 0.02 -2.02 -1.21 113.55 114.73 2r8u h SER 7 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2r8u h SER 7 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2r8u h SER 7 CO 0.69 0.00 -0.23 0.35 -1.14 0.00 0.00 176.83 176.50 2r8u n THR 8 N -4.33 0.00 -2.10 -2.27 -2.24 -1.26 -4.88 114.28 97.20 2r8u n THR 8 Ca 0.05 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 2r8u n THR 8 Cb 0.41 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2r8u n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2r8u s SER 9 N -2.68 6.02 -0.12 3.42 0.01 -0.46 -4.98 113.70 114.92 2r8u s SER 9 Ca 0.21 2.51 -0.30 0.00 1.31 0.00 0.00 55.95 59.68 2r8u s SER 9 Cb 0.19 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 2r8u s SER 9 CO 0.55 -1.03 1.07 -0.69 0.41 0.00 0.00 173.24 173.55 2r8u s VAL 10 N -1.41 4.62 0.26 3.43 1.01 -1.26 -4.91 120.40 122.14 2r8u s VAL 10 Ca 0.63 1.91 0.01 0.00 0.00 0.00 0.00 61.98 64.53 2r8u s VAL 10 Cb -0.34 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2r8u s VAL 10 CO 0.42 -0.04 0.11 0.42 0.00 0.00 0.00 175.10 176.01 2r8u s THR 11 N 2.36 0.46 1.04 3.92 -4.23 -1.26 -5.12 115.64 112.81 2r8u s THR 11 Ca 0.50 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 2r8u s THR 11 Cb -0.19 -2.61 0.22 0.00 1.34 0.00 0.00 72.50 71.26 2r8u s THR 11 CO 0.16 0.00 1.08 -0.44 -0.54 0.00 0.00 174.62 174.88 2r8u s SER 12 N -3.30 1.96 0.59 3.99 0.01 -1.26 -4.98 113.70 110.71 2r8u s SER 12 Ca 0.38 1.75 -0.19 0.00 1.31 0.00 0.00 55.95 59.19 2r8u s SER 12 Cb 0.07 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2r8u s SER 12 CO 0.14 -3.63 1.14 0.47 0.41 0.00 0.00 173.24 171.77 2r8u n ASP 13 N -4.55 1.57 -4.73 2.44 8.00 -1.26 -4.97 116.55 113.05 2r8u n ASP 13 Ca 0.07 0.86 -0.35 0.00 0.71 0.00 0.00 54.79 56.08 2r8u n ASP 13 Cb 0.54 -1.47 0.08 0.00 -0.02 0.00 0.00 41.12 40.24 2r8u n ASP 13 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2r8u s ASN 14 N -1.18 4.41 0.04 -2.24 0.01 -1.26 -5.02 114.94 109.71 2r8u s ASN 14 Ca 0.76 2.45 -0.00 0.00 -0.71 0.00 0.00 52.86 55.36 2r8u s ASN 14 Cb -0.42 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.61 2r8u s ASN 14 CO 0.46 -2.13 0.18 -0.76 -1.51 0.00 0.00 177.10 173.34 2r8u s LEU 15 N -4.80 4.26 0.87 0.60 1.02 -1.26 -5.10 118.68 114.26 2r8u s LEU 15 Ca 0.77 0.24 -0.11 0.00 0.02 0.00 0.00 54.13 55.05 2r8u s LEU 15 Cb -0.32 -2.78 0.12 0.00 0.02 0.00 0.00 46.19 43.23 2r8u s LEU 15 CO 0.42 0.20 1.16 -0.94 0.02 0.00 0.00 176.35 177.21 2r8u s SER 16 N -2.33 3.21 0.40 2.29 1.04 -1.26 -4.76 113.70 112.29 2r8u s SER 16 Ca 0.32 2.22 0.07 0.00 0.48 0.00 0.00 55.95 59.03 2r8u s SER 16 Cb -0.13 -2.57 0.81 0.00 0.10 0.00 0.00 66.02 64.23 2r8u s SER 16 CO 0.24 -2.91 2.02 0.08 0.98 0.00 0.00 173.24 173.65 2r8u h ARG 17 N -1.54 0.53 -0.34 4.02 0.11 -1.99 0.12 114.38 115.29 2r8u h ARG 17 Ca -0.44 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 59.56 2r8u h ARG 17 Cb 1.27 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 2r8u h ARG 17 CO 0.43 0.39 0.07 1.25 0.10 0.00 0.00 179.97 182.22 2r8u h HIS 18 N 0.53 0.59 -0.03 4.08 2.76 -1.99 -0.88 115.15 120.21 2r8u h HIS 18 Ca 0.14 -0.08 -0.18 0.00 -2.20 0.00 0.00 60.37 58.05 2r8u h HIS 18 Cb 0.03 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2r8u h HIS 18 CO 0.00 0.61 -0.77 -0.44 -1.30 0.00 0.00 177.93 176.03 2r8u h ASP 19 N 0.40 0.32 -0.33 3.26 3.32 -1.78 -1.15 116.42 120.46 2r8u h ASP 19 Ca 0.11 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2r8u h ASP 19 Cb 0.32 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2r8u h ASP 19 CO 0.00 0.98 0.11 -0.03 -1.72 0.00 0.00 179.24 178.58 2r8u h MET 20 N 0.17 0.51 -0.79 3.56 4.05 -0.63 -1.07 114.93 120.72 2r8u h MET 20 Ca -0.03 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2r8u h MET 20 Cb 1.36 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 32.04 2r8u h MET 20 CO 0.12 0.53 0.48 -0.07 0.23 0.00 0.00 176.91 178.20 2r8u h LEU 21 N 0.38 0.95 -0.69 3.39 3.38 -1.05 -1.23 115.31 120.44 2r8u h LEU 21 Ca 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2r8u h LEU 21 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2r8u h LEU 21 CO -0.00 0.73 0.43 0.00 0.09 0.00 0.00 178.44 179.68 2r8u h ALA 22 N 1.43 0.88 -0.41 1.53 0.00 -0.84 0.25 119.26 122.09 2r8u h ALA 22 Ca 0.29 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2r8u h ALA 22 Cb -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2r8u h ALA 22 CO -0.05 0.34 0.25 2.35 0.00 0.00 0.00 179.25 182.14 2r8u h TRP 23 N 0.94 0.47 0.01 0.00 7.01 -0.57 0.18 115.95 123.99 2r8u h TRP 23 Ca 0.25 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 2r8u h TRP 23 Cb -0.05 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 2r8u h TRP 23 CO -0.02 0.28 -0.01 0.82 -2.79 0.00 0.00 178.44 176.73 2r8u h ILE 24 N 0.51 1.13 -0.50 2.65 1.08 -0.83 -1.40 117.51 120.15 2r8u h ILE 24 Ca 0.16 -0.42 -0.09 0.00 -0.39 0.00 0.00 64.86 64.12 2r8u h ILE 24 Cb -0.01 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 2r8u h ILE 24 CO -0.07 0.11 -0.02 0.78 -0.69 0.00 0.00 178.15 178.26 2r8u h ASN 25 N -0.20 0.88 0.07 1.72 2.35 -0.38 -1.73 115.58 118.29 2r8u h ASN 25 Ca -0.00 -0.32 -0.25 0.00 -0.55 0.00 0.00 56.30 55.19 2r8u h ASN 25 Cb 0.19 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.34 2r8u h ASN 25 CO 0.00 0.99 -0.96 -0.33 -1.65 0.00 0.00 177.43 175.48 2r8u h GLU 26 N 0.75 0.63 -0.24 0.81 5.08 -0.99 0.10 114.58 120.72 2r8u h GLU 26 Ca 0.14 -0.64 -0.13 0.00 -1.00 0.00 0.00 59.36 57.73 2r8u h GLU 26 Cb 0.55 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2r8u h GLU 26 CO 0.03 1.24 -0.38 0.77 -1.00 0.00 0.00 179.01 179.67 2r8u h SER 27 N 0.38 0.58 -0.05 1.42 0.02 -1.19 -3.28 113.55 111.43 2r8u h SER 27 Ca -0.10 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2r8u h SER 27 Cb 1.60 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2r8u h SER 27 CO 0.18 0.91 0.00 0.18 -1.14 0.00 0.00 176.83 176.96 2r8u n LEU 28 N -4.04 2.02 -3.62 5.07 4.77 -0.66 -4.73 117.00 115.82 2r8u n LEU 28 Ca -0.01 -1.12 -0.22 0.00 -0.03 0.00 0.00 56.01 54.63 2r8u n LEU 28 Cb 0.50 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.61 2r8u n LEU 28 CO 0.45 0.41 -0.04 0.00 -1.33 0.00 0.00 177.39 176.87 2r8u n GLN 29 N 0.60 -4.08 -4.28 3.23 6.02 0.28 -4.61 117.38 114.54 2r8u n GLN 29 Ca 0.07 0.64 -0.29 0.00 -0.01 0.00 0.00 57.00 57.42 2r8u n GLN 29 Cb 0.29 -5.15 -0.05 0.00 1.02 0.00 0.00 30.24 26.36 2r8u n GLN 29 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2r8u s LEU 30 N -6.45 2.61 -0.31 1.08 1.43 -0.75 -4.99 118.68 111.31 2r8u s LEU 30 Ca 0.14 -1.38 0.18 0.00 -1.03 0.00 0.00 54.13 52.04 2r8u s LEU 30 Cb -0.04 -1.04 0.47 0.00 0.03 0.00 0.00 46.19 45.61 2r8u s LEU 30 CO 0.80 -0.91 1.03 -3.20 0.23 0.00 0.00 176.35 174.30 2r8u n ASN 31 N -1.47 1.91 -4.76 2.29 5.15 -1.26 -4.64 115.26 112.47 2r8u n ASN 31 Ca -0.09 -2.60 -0.39 0.00 -0.60 0.00 0.00 54.58 50.90 2r8u n ASN 31 Cb 0.65 -0.50 0.02 0.00 -0.53 0.00 0.00 39.78 39.43 2r8u n ASN 31 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2r8u s LEU 32 N -3.41 4.06 -0.00 1.20 1.43 -1.26 -4.92 118.68 115.78 2r8u s LEU 32 Ca 0.30 2.88 0.09 0.00 -1.03 0.00 0.00 54.13 56.37 2r8u s LEU 32 Cb 0.41 -4.01 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 2r8u s LEU 32 CO -0.01 -1.25 0.37 0.35 0.23 0.00 0.00 176.35 176.05 2r8u n THR 33 N -0.36 0.00 -3.86 5.49 -2.24 -1.26 -4.99 114.28 107.06 2r8u n THR 33 Ca 0.06 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 2r8u n THR 33 Cb 0.42 0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 69.51 2r8u n THR 33 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2r8u s LYS 34 N -1.84 0.01 0.44 -0.78 1.02 -1.26 -5.03 119.74 112.30 2r8u s LYS 34 Ca 0.03 0.04 0.14 0.00 0.02 0.00 0.00 55.97 56.20 2r8u s LYS 34 Cb 0.07 -0.02 1.05 0.00 -0.52 0.00 0.00 37.83 38.42 2r8u s LYS 34 CO 0.36 -0.02 1.98 0.82 -0.92 0.00 0.00 175.35 177.58 2r8u h ILE 35 N 5.24 0.89 -0.25 2.17 1.08 -1.95 -1.66 117.51 123.03 2r8u h ILE 35 Ca -0.26 -0.13 0.07 0.00 -0.39 0.00 0.00 64.86 64.15 2r8u h ILE 35 Cb 1.20 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 2r8u h ILE 35 CO 0.50 0.07 0.25 -0.33 -0.69 0.00 0.00 178.15 177.95 2r8u h GLU 36 N 0.38 0.00 0.00 2.37 3.07 -1.89 -1.64 114.58 116.87 2r8u h GLU 36 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2r8u h GLU 36 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2r8u h GLU 36 CO -0.07 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.58 2r8u n GLN 37 N -3.91 0.10 0.00 2.33 6.02 -0.62 -1.59 117.38 119.71 2r8u n GLN 37 Ca 0.03 0.37 0.06 0.00 -0.01 0.00 0.00 57.00 57.46 2r8u n GLN 37 Cb 0.39 -1.71 0.30 0.00 1.02 0.00 0.00 30.24 30.24 2r8u n GLN 37 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2r8u n LEU 38 N -1.91 0.00 0.30 1.08 4.77 -0.62 -3.00 117.00 117.63 2r8u n LEU 38 Ca 0.02 0.35 0.19 0.00 -0.03 0.00 0.00 56.01 56.54 2r8u n LEU 38 Cb 0.18 -0.35 0.99 0.00 -2.33 0.00 0.00 43.42 41.91 2r8u n LEU 38 CO 0.15 -0.20 1.10 0.00 -1.33 0.00 0.00 177.39 177.11 2r8u h SER 40 N 0.00 0.00 0.00 0.00 4.64 -1.81 -3.39 113.55 113.00 2r8u h SER 40 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r8u h SER 40 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2r8u h SER 40 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2r8u n GLY 41 N 0.85 2.92 0.25 -0.77 0.00 -0.76 -4.52 105.19 103.16 2r8u n GLY 41 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2r8u n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8u h ALA 42 N 0.00 0.56 -0.68 4.61 0.00 -1.85 -2.39 119.26 119.51 2r8u h ALA 42 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2r8u h ALA 42 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2r8u h ALA 42 CO 0.00 0.58 0.44 0.00 0.00 0.00 0.00 179.25 180.27 2r8u h ALA 43 N 0.79 0.86 -0.71 0.00 0.00 -1.90 -1.29 119.26 117.00 2r8u h ALA 43 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2r8u h ALA 43 Cb 0.86 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2r8u h ALA 43 CO 0.07 0.26 0.43 1.88 0.00 0.00 0.00 179.25 181.89 2r8u h TYR 44 N 0.90 0.95 -0.74 0.00 0.05 -1.89 0.22 116.97 116.46 2r8u h TYR 44 Ca 0.25 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.08 2r8u h TYR 44 Cb -0.08 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.29 2r8u h TYR 44 CO -0.03 0.64 0.44 0.00 -1.05 0.00 0.00 178.16 178.17 2r8u h GLN 46 N 0.82 0.68 -0.33 0.00 4.15 -0.70 -2.36 115.11 117.36 2r8u h GLN 46 Ca 0.32 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 2r8u h GLN 46 Cb 0.15 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2r8u h GLN 46 CO -0.16 0.87 0.01 0.74 -1.93 0.00 0.00 178.83 178.36 2r8u h PHE 47 N 0.59 0.53 -0.68 3.99 0.05 -0.49 -0.88 116.94 120.04 2r8u h PHE 47 Ca 0.08 -0.05 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 2r8u h PHE 47 Cb 0.76 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.53 2r8u h PHE 47 CO 0.03 0.51 0.25 0.52 -0.18 0.00 0.00 178.31 179.45 2r8u h MET 48 N 0.49 1.01 -0.60 1.51 2.86 -0.96 0.43 114.93 119.67 2r8u h MET 48 Ca 0.11 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2r8u h MET 48 Cb 0.31 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2r8u h MET 48 CO 0.01 0.84 0.32 0.22 1.06 0.00 0.00 176.91 179.36 2r8u h ASP 49 N 0.99 0.76 -0.50 1.22 3.58 -0.89 0.69 116.42 122.27 2r8u h ASP 49 Ca 0.23 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 2r8u h ASP 49 Cb 0.22 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2r8u h ASP 49 CO -0.02 0.64 0.09 -0.03 -2.88 0.00 0.00 179.24 177.05 2r8u h MET 50 N 0.82 0.82 -0.10 0.28 4.05 -0.80 -1.31 114.93 118.68 2r8u h MET 50 Ca 0.21 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2r8u h MET 50 Cb 0.06 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2r8u h MET 50 CO -0.03 0.80 -0.00 -0.07 0.23 0.00 0.00 176.91 177.84 2r8u h LEU 51 N 0.70 0.18 -6.43 3.39 3.38 -0.73 -3.40 115.31 112.39 2r8u h LEU 51 Ca 0.15 -0.32 -0.59 0.00 0.09 0.00 0.00 57.88 57.21 2r8u h LEU 51 Cb 0.37 -0.05 -0.39 0.00 0.09 0.00 0.00 40.66 40.68 2r8u h LEU 51 CO 0.01 0.45 -0.90 0.49 0.09 0.00 0.00 178.44 178.58 2r8u n PHE 52 N -4.81 0.27 -1.66 1.13 3.01 0.22 -4.86 117.46 110.76 2r8u n PHE 52 Ca -0.06 -3.60 -0.47 0.00 1.01 0.00 0.00 57.45 54.33 2r8u n PHE 52 Cb 0.20 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 2r8u n PHE 52 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2r8u n PRO 53 N 2.29 2.04 -0.14 -1.08 -0.02 -0.50 -1.09 135.00 136.50 2r8u n PRO 53 Ca 0.26 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2r8u n PRO 53 Cb 0.46 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2r8u n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r8u n GLY 54 N 3.44 0.57 0.19 -1.23 0.00 -1.26 -4.95 105.19 101.95 2r8u n GLY 54 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2r8u n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r8u h SER 55 N 0.00 0.00 -4.42 1.61 4.64 -1.40 -3.46 113.55 110.52 2r8u h SER 55 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 2r8u h SER 55 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 2r8u h SER 55 CO 0.00 0.04 -0.87 -0.63 -0.87 0.00 0.00 176.83 174.51 2r8u s ILE 56 N -3.22 2.25 -1.34 0.95 -1.09 -1.26 -4.19 121.20 113.31 2r8u s ILE 56 Ca 0.05 -1.13 -0.15 0.00 -2.23 0.00 0.00 60.65 57.19 2r8u s ILE 56 Cb 0.06 -1.83 0.09 0.00 -1.58 0.00 0.00 42.46 39.20 2r8u s ILE 56 CO 0.70 0.51 1.88 0.00 -1.23 0.00 0.00 174.94 176.81 2r8u n ALA 57 N 2.20 4.54 -0.30 9.38 0.00 -1.26 -4.84 120.51 130.22 2r8u n ALA 57 Ca -0.16 -3.98 0.11 0.00 0.00 0.00 0.00 53.44 49.40 2r8u n ALA 57 Cb 0.51 -3.42 0.34 0.00 0.00 0.00 0.00 19.45 16.88 2r8u n ALA 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2r8u h LEU 58 N 10.61 0.74 -2.22 0.00 3.38 -1.96 -0.21 115.31 125.66 2r8u h LEU 58 Ca 0.46 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.47 2r8u h LEU 58 Cb 0.76 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2r8u h LEU 58 CO 1.60 0.37 -0.05 0.50 0.09 0.00 0.00 178.44 180.94 2r8u h LYS 59 N 0.78 0.00 -0.00 1.13 1.63 -1.93 -2.12 116.57 116.06 2r8u h LYS 59 Ca 0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.28 2r8u h LYS 59 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2r8u h LYS 59 CO -0.24 0.05 -0.55 1.63 -3.45 0.00 0.00 179.45 176.90 2r8u n LYS 60 N -3.47 0.20 -2.33 1.90 4.76 -0.09 -4.90 118.16 114.23 2r8u n LYS 60 Ca -0.02 -0.13 -0.41 0.00 -2.87 0.00 0.00 58.31 54.87 2r8u n LYS 60 Cb 0.18 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2r8u n LYS 60 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2r8u s VAL 61 N -2.89 3.57 -0.60 -0.18 1.01 -0.80 -4.92 120.40 115.59 2r8u s VAL 61 Ca 0.13 1.25 -0.19 0.00 0.00 0.00 0.00 61.98 63.16 2r8u s VAL 61 Cb 0.18 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.86 2r8u s VAL 61 CO 0.69 0.16 0.75 -0.54 0.00 0.00 0.00 175.10 176.17 2r8u s LYS 62 N 0.21 3.05 0.36 2.72 1.02 -1.26 -4.90 119.74 120.95 2r8u s LYS 62 Ca 0.56 -1.24 0.27 0.00 0.02 0.00 0.00 55.97 55.58 2r8u s LYS 62 Cb -0.33 -4.26 0.91 0.00 -0.52 0.00 0.00 37.83 33.63 2r8u s LYS 62 CO 0.35 -1.59 1.78 0.74 -0.92 0.00 0.00 175.35 175.71 2r8u h PHE 63 N 9.25 0.00 -0.27 3.18 0.04 -1.96 -3.19 116.94 124.00 2r8u h PHE 63 Ca -0.29 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.29 2r8u h PHE 63 Cb 1.08 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.10 2r8u h PHE 63 CO 0.86 0.00 -0.50 1.04 -0.60 0.00 0.00 178.31 179.10 2r8u n GLN 64 N -2.65 2.19 -1.73 1.51 3.00 -1.26 -5.01 117.38 113.43 2r8u n GLN 64 Ca 0.03 -3.53 -0.42 0.00 -0.01 0.00 0.00 57.00 53.07 2r8u n GLN 64 Cb 0.36 -1.84 -0.01 0.00 0.00 0.00 0.00 30.24 28.76 2r8u n GLN 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2r8u n ALA 65 N -1.01 1.80 -0.24 -1.58 0.00 -1.21 -4.92 120.51 113.36 2r8u n ALA 65 Ca 0.29 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2r8u n ALA 65 Cb 0.81 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2r8u n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2r8u n LYS 66 N 0.67 1.46 -5.09 0.00 4.76 -1.26 -5.01 118.16 113.69 2r8u n LYS 66 Ca 0.04 -0.07 -0.32 0.00 -2.87 0.00 0.00 58.31 55.09 2r8u n LYS 66 Cb 0.37 -0.37 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 2r8u n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2r8u s LEU 67 N -0.45 2.37 0.46 -0.35 1.43 -1.26 -5.04 118.68 115.84 2r8u s LEU 67 Ca 0.00 -0.37 0.17 0.00 -1.03 0.00 0.00 54.13 52.91 2r8u s LEU 67 Cb 0.00 -1.45 1.14 0.00 0.03 0.00 0.00 46.19 45.90 2r8u s LEU 67 CO 0.00 0.30 1.98 -0.08 0.23 0.00 0.00 176.35 178.77 2r8u h GLU 68 N 5.70 0.28 0.00 1.70 4.81 -1.98 0.81 114.58 125.90 2r8u h GLU 68 Ca -0.40 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 2r8u h GLU 68 Cb 1.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2r8u h GLU 68 CO 0.49 0.19 -0.37 1.12 -0.73 0.00 0.00 179.01 179.71 2r8u h HIS 69 N 0.29 0.00 -0.42 0.92 2.07 -1.97 -1.68 115.15 114.36 2r8u h HIS 69 Ca 0.28 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.65 2r8u h HIS 69 Cb 0.70 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.67 2r8u h HIS 69 CO -0.00 0.37 -0.33 0.93 -3.07 0.00 0.00 177.93 175.83 2r8u h GLU 70 N 0.00 0.97 -0.97 5.12 5.08 -1.28 -2.54 114.58 120.96 2r8u h GLU 70 Ca -0.00 -0.48 0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2r8u h GLU 70 Cb 0.82 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 2r8u h GLU 70 CO 0.05 1.14 0.62 1.88 -1.00 0.00 0.00 179.01 181.70 2r8u h TYR 71 N 0.80 1.16 -0.71 4.33 0.05 -0.74 -2.03 116.97 119.82 2r8u h TYR 71 Ca 0.08 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.82 2r8u h TYR 71 Cb 0.92 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 2r8u h TYR 71 CO 0.06 0.62 0.17 0.82 -1.05 0.00 0.00 178.16 178.78 2r8u h ILE 72 N 1.15 1.26 -0.64 -2.88 1.08 -1.19 -0.79 117.51 115.50 2r8u h ILE 72 Ca 0.41 -0.98 0.01 0.00 -0.39 0.00 0.00 64.86 63.90 2r8u h ILE 72 Cb 0.12 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 2r8u h ILE 72 CO -0.16 0.38 0.42 1.56 -0.69 0.00 0.00 178.15 179.66 2r8u h GLN 73 N 1.08 0.84 -0.63 2.37 4.20 -1.01 -0.77 115.11 121.19 2r8u h GLN 73 Ca 0.22 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2r8u h GLN 73 Cb 0.38 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2r8u h GLN 73 CO 0.00 0.55 0.35 -0.91 -0.67 0.00 0.00 178.83 178.16 2r8u h ASN 74 N 0.86 0.79 0.48 1.46 2.35 -1.02 -2.01 115.58 118.50 2r8u h ASN 74 Ca 0.24 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 2r8u h ASN 74 Cb -0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2r8u h ASN 74 CO -0.06 0.66 -0.23 -0.26 -1.65 0.00 0.00 177.43 175.89 2r8u h PHE 75 N 0.86 0.00 -0.18 1.19 0.04 -0.69 -1.69 116.94 116.46 2r8u h PHE 75 Ca 0.22 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.84 2r8u h PHE 75 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2r8u h PHE 75 CO -0.01 0.23 -0.51 0.87 -0.60 0.00 0.00 178.31 178.29 2r8u h LYS 76 N 0.00 0.51 -0.48 1.51 1.57 -0.63 0.14 116.57 119.19 2r8u h LYS 76 Ca -0.00 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2r8u h LYS 76 Cb 0.53 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2r8u h LYS 76 CO 0.03 0.90 0.29 0.82 -0.57 0.00 0.00 179.45 180.91 2r8u h ILE 77 N 0.40 1.06 -0.59 1.86 1.08 -0.78 -1.25 117.51 119.29 2r8u h ILE 77 Ca 0.02 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2r8u h ILE 77 Cb 1.03 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 2r8u h ILE 77 CO 0.09 0.11 0.34 0.25 -0.69 0.00 0.00 178.15 178.25 2r8u h LEU 78 N 0.58 0.72 -1.18 1.44 5.85 -0.89 -2.19 115.31 119.65 2r8u h LEU 78 Ca 0.19 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2r8u h LEU 78 Cb 0.01 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2r8u h LEU 78 CO -0.08 0.59 0.42 1.56 -0.34 0.00 0.00 178.44 180.59 2r8u h GLN 79 N 0.80 0.99 -0.63 1.25 4.20 -0.48 0.11 115.11 121.35 2r8u h GLN 79 Ca 0.21 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2r8u h GLN 79 Cb 0.01 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2r8u h GLN 79 CO -0.04 0.70 0.17 0.00 -0.67 0.00 0.00 178.83 179.00 2r8u h ALA 80 N 1.46 1.11 -0.32 3.87 0.00 -0.93 -0.22 119.26 124.24 2r8u h ALA 80 Ca 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2r8u h ALA 80 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2r8u h ALA 80 CO -0.05 0.60 0.12 0.78 0.00 0.00 0.00 179.25 180.71 2r8u h GLY 81 N 1.04 0.51 0.94 0.00 0.00 -0.63 -0.96 103.07 103.97 2r8u h GLY 81 Ca 0.20 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2r8u h GLY 81 CO -0.00 0.27 0.52 0.74 0.00 0.00 0.00 176.54 178.06 2r8u h PHE 82 N 0.36 0.97 -0.34 5.60 0.05 -0.51 -1.57 116.94 121.50 2r8u h PHE 82 Ca 0.11 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.90 2r8u h PHE 82 Cb 0.20 -0.32 -0.02 0.00 2.00 0.00 0.00 35.95 37.81 2r8u h PHE 82 CO -0.00 0.58 0.14 -0.22 -0.18 0.00 0.00 178.31 178.63 2r8u h LYS 83 N 1.03 0.51 -0.98 1.51 3.64 -0.75 0.27 116.57 121.79 2r8u h LYS 83 Ca 0.30 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 2r8u h LYS 83 Cb -0.06 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.61 2r8u h LYS 83 CO -0.09 0.50 0.63 -0.09 -2.27 0.00 0.00 179.45 178.13 2r8u h ARG 84 N 0.40 1.10 -0.38 1.90 2.43 -0.86 -2.35 114.38 116.61 2r8u h ARG 84 Ca 0.11 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2r8u h ARG 84 Cb 0.18 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2r8u h ARG 84 CO -0.01 0.73 0.00 -1.33 -1.51 0.00 0.00 179.97 177.85 2r8u n MET 85 N -4.53 2.06 -2.33 0.20 2.81 -0.62 -4.95 117.12 109.77 2r8u n MET 85 Ca 0.15 -1.63 -0.12 0.00 -1.81 0.00 0.00 57.70 54.29 2r8u n MET 85 Cb 0.19 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2r8u n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2r8u n GLY 86 N 1.26 -0.07 3.66 3.03 0.00 -0.72 -1.15 105.19 111.20 2r8u n GLY 86 Ca 0.16 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2r8u n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r8u s VAL 87 N -2.65 4.75 -1.04 1.61 1.01 0.01 -4.68 120.40 119.41 2r8u s VAL 87 Ca 0.04 1.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 2r8u s VAL 87 Cb -0.02 -4.26 0.29 0.00 0.00 0.00 0.00 36.38 32.39 2r8u s VAL 87 CO 0.05 -0.10 1.26 -0.90 0.00 0.00 0.00 175.10 175.41 2r8u n ASP 88 N 5.89 5.76 -3.88 3.32 5.75 -1.26 -4.66 116.55 127.48 2r8u n ASP 88 Ca 0.09 -3.29 -0.18 0.00 -0.01 0.00 0.00 54.79 51.41 2r8u n ASP 88 Cb 0.47 -1.23 -0.16 0.00 -1.03 0.00 0.00 41.12 39.17 2r8u n ASP 88 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2r8u s LYS 89 N -2.23 0.54 -0.18 0.11 2.47 -1.26 -4.94 119.74 114.24 2r8u s LYS 89 Ca 0.31 -0.05 -0.18 0.00 -1.56 0.00 0.00 55.97 54.50 2r8u s LYS 89 Cb 0.00 -0.60 -0.04 0.00 -1.46 0.00 0.00 37.83 35.74 2r8u s LYS 89 CO 0.02 -0.06 0.48 0.42 0.16 0.00 0.00 175.35 176.37 2r8u s ILE 90 N 0.73 5.15 -0.20 5.43 -1.09 -1.26 -5.05 121.20 124.91 2r8u s ILE 90 Ca -0.08 0.89 -0.22 0.00 -2.23 0.00 0.00 60.65 59.00 2r8u s ILE 90 Cb -0.12 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2r8u s ILE 90 CO -0.01 0.23 0.70 -0.63 -1.23 0.00 0.00 174.94 174.00 2r8u s ILE 91 N 1.32 4.96 -1.51 2.92 -1.09 -1.26 -4.95 121.20 121.59 2r8u s ILE 91 Ca 0.23 1.33 -0.11 0.00 -2.23 0.00 0.00 60.65 59.86 2r8u s ILE 91 Cb -0.15 -4.01 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2r8u s ILE 91 CO 0.09 0.06 2.54 -0.81 -1.23 0.00 0.00 174.94 175.60 2r8u n PRO 92 N 5.26 3.38 -0.20 2.79 -0.04 -1.26 -4.74 135.00 140.19 2r8u n PRO 92 Ca 0.01 -2.54 -0.02 0.00 -0.04 0.00 0.00 63.50 60.91 2r8u n PRO 92 Cb 0.49 -3.01 0.09 0.00 -0.04 0.00 0.00 33.50 31.03 2r8u n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2r8u h VAL 93 N 3.46 0.88 -0.61 0.52 2.07 -2.00 -0.71 116.25 119.87 2r8u h VAL 93 Ca 0.70 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 68.11 2r8u h VAL 93 Cb 0.46 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2r8u h VAL 93 CO 1.80 0.09 0.41 -2.24 0.02 0.00 0.00 177.57 177.65 2r8u h ASP 94 N 0.51 0.51 0.01 0.57 2.03 -2.01 -1.94 116.42 116.09 2r8u h ASP 94 Ca 0.28 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.51 2r8u h ASP 94 Cb 0.26 -0.11 0.01 0.00 -0.83 0.00 0.00 39.33 38.66 2r8u h ASP 94 CO -0.23 0.33 -0.29 0.11 -1.03 0.00 0.00 179.24 178.13 2r8u h LYS 95 N 0.58 0.18 -0.97 4.15 1.57 -1.55 -3.36 116.57 117.17 2r8u h LYS 95 Ca 0.27 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2r8u h LYS 95 Cb 0.31 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 2r8u h LYS 95 CO -0.08 0.96 0.62 -0.07 -0.57 0.00 0.00 179.45 180.31 2r8u h LEU 96 N -0.50 1.13 0.00 2.94 3.38 -0.79 -2.35 115.31 119.12 2r8u h LEU 96 Ca -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2r8u h LEU 96 Cb 1.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2r8u h LEU 96 CO 0.06 0.84 0.00 1.33 0.09 0.00 0.00 178.44 180.75 2r8u n VAL 97 N -4.37 0.78 1.16 1.22 0.24 -0.79 -1.74 118.33 114.83 2r8u n VAL 97 Ca 0.11 0.19 0.14 0.00 -2.04 0.00 0.00 64.34 62.75 2r8u n VAL 97 Cb 0.03 -0.90 0.66 0.00 -1.47 0.00 0.00 33.84 32.17 2r8u n VAL 97 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2r8u n LYS 98 N -1.48 0.17 -1.06 7.34 4.76 -0.88 -4.88 118.16 122.12 2r8u n LYS 98 Ca 0.05 -0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.46 2r8u n LYS 98 Cb 0.20 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 2r8u n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2r8u n GLY 99 N 1.42 0.54 3.75 0.72 0.00 -0.71 -5.04 105.19 105.87 2r8u n GLY 99 Ca 0.10 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 2r8u n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r8u s LYS 100 N -2.01 4.81 0.06 1.61 1.02 -1.26 -4.81 119.74 119.16 2r8u s LYS 100 Ca 0.00 1.47 -0.25 0.00 0.02 0.00 0.00 55.97 57.21 2r8u s LYS 100 Cb 0.00 -3.30 -0.17 0.00 -0.52 0.00 0.00 37.83 33.84 2r8u s LYS 100 CO 0.00 0.44 1.58 0.35 -0.92 0.00 0.00 175.35 176.81 2r8u h PHE 101 N 4.52 -0.11 -0.91 3.18 3.04 -1.96 -2.79 116.94 121.91 2r8u h PHE 101 Ca -0.44 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.49 2r8u h PHE 101 Cb 1.20 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.71 2r8u h PHE 101 CO 0.62 0.05 0.54 0.37 -2.02 0.00 0.00 178.31 177.87 2r8u h GLN 102 N -0.26 1.24 -0.28 1.11 5.75 -1.98 0.26 115.11 120.95 2r8u h GLN 102 Ca -0.01 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 2r8u h GLN 102 Cb 0.21 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 2r8u h GLN 102 CO 0.02 0.88 0.00 -0.44 -2.65 0.00 0.00 178.83 176.64 2r8u h ASP 103 N 1.26 0.49 -0.03 -0.69 3.32 -1.95 -0.69 116.42 118.12 2r8u h ASP 103 Ca 0.33 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 2r8u h ASP 103 Cb -0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2r8u h ASP 103 CO -0.06 0.67 -0.39 0.78 -1.72 0.00 0.00 179.24 178.52 2r8u h ASN 104 N 0.29 0.57 -0.44 6.45 2.35 -1.16 -2.19 115.58 121.44 2r8u h ASN 104 Ca 0.08 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.46 2r8u h ASN 104 Cb 0.42 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2r8u h ASN 104 CO 0.01 0.90 -0.20 0.15 -1.65 0.00 0.00 177.43 176.65 2r8u h PHE 105 N 0.45 1.05 -0.29 1.19 -0.00 -0.41 -1.03 116.94 117.89 2r8u h PHE 105 Ca 0.04 -0.26 0.00 0.00 -0.00 0.00 0.00 57.97 57.76 2r8u h PHE 105 Cb 0.88 -0.24 -0.01 0.00 -0.00 0.00 0.00 35.95 36.57 2r8u h PHE 105 CO 0.03 1.05 0.20 1.49 -0.00 0.00 0.00 178.31 181.08 2r8u h GLU 106 N 0.74 0.39 -0.48 1.11 4.81 -1.02 -1.18 114.58 118.95 2r8u h GLU 106 Ca 0.10 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 2r8u h GLU 106 Cb 0.77 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2r8u h GLU 106 CO 0.06 0.26 -0.20 0.35 -0.73 0.00 0.00 179.01 178.75 2r8u h PHE 107 N 0.40 1.11 -0.02 0.92 3.57 -1.28 -2.70 116.94 118.93 2r8u h PHE 107 Ca 0.11 -0.26 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 2r8u h PHE 107 Cb -0.05 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 2r8u h PHE 107 CO -0.06 1.07 -0.46 -0.24 -2.23 0.00 0.00 178.31 176.40 2r8u h VAL 108 N 0.84 1.33 -0.64 1.41 3.04 -1.00 0.52 116.25 121.76 2r8u h VAL 108 Ca 0.11 -1.60 0.01 0.00 -1.01 0.00 0.00 66.70 64.21 2r8u h VAL 108 Cb 0.77 1.84 -0.03 0.00 -2.01 0.00 0.00 31.29 31.86 2r8u h VAL 108 CO 0.06 0.46 0.42 1.56 -1.01 0.00 0.00 177.57 179.06 2r8u h GLN 109 N 0.04 0.83 -0.07 4.17 1.08 -1.03 0.08 115.11 120.21 2r8u h GLN 109 Ca -0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2r8u h GLN 109 Cb 0.84 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2r8u h GLN 109 CO 0.06 0.55 0.03 2.35 -0.95 0.00 0.00 178.83 180.87 2r8u h TRP 110 N 0.85 0.10 -0.83 2.96 7.01 -1.11 -2.95 115.95 121.99 2r8u h TRP 110 Ca 0.24 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 2r8u h TRP 110 Cb -0.08 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 26.91 2r8u h TRP 110 CO -0.03 0.23 0.45 0.35 -2.79 0.00 0.00 178.44 176.64 2r8u h PHE 111 N -0.05 1.14 -0.88 2.65 3.04 -0.50 0.65 116.94 122.99 2r8u h PHE 111 Ca 0.02 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2r8u h PHE 111 Cb 0.17 -0.36 -0.04 0.00 2.56 0.00 0.00 35.95 38.27 2r8u h PHE 111 CO -0.02 0.79 0.48 -0.22 -2.02 0.00 0.00 178.31 177.33 2r8u h LYS 112 N 1.16 1.23 -0.62 1.11 1.63 -0.99 0.32 116.57 120.42 2r8u h LYS 112 Ca 0.29 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2r8u h LYS 112 Cb 0.03 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.40 2r8u h LYS 112 CO -0.05 0.90 0.21 0.87 -3.45 0.00 0.00 179.45 177.94 2r8u h LYS 113 N 1.24 0.95 -0.40 1.90 1.57 -1.17 0.13 116.57 120.79 2r8u h LYS 113 Ca 0.31 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2r8u h LYS 113 Cb 0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2r8u h LYS 113 CO -0.05 0.83 0.21 0.35 -0.57 0.00 0.00 179.45 180.22 2r8u h PHE 114 N 0.88 0.39 0.16 -1.35 3.04 -0.33 -1.75 116.94 117.99 2r8u h PHE 114 Ca 0.20 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.17 2r8u h PHE 114 Cb 0.26 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 2r8u h PHE 114 CO 0.02 0.21 -0.14 0.35 -2.02 0.00 0.00 178.31 176.73 2r8u h PHE 115 N 0.43 -0.36 -0.23 0.41 3.04 -0.04 -2.18 116.94 118.01 2r8u h PHE 115 Ca 0.17 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 2r8u h PHE 115 Cb 0.06 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 2r8u h PHE 115 CO -0.09 -0.21 0.10 -0.44 -2.02 0.00 0.00 178.31 175.65 2r8u h ASP 116 N -0.32 0.27 1.10 0.41 3.32 -0.56 0.17 116.42 120.82 2r8u h ASP 116 Ca -0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2r8u h ASP 116 Cb 0.29 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2r8u h ASP 116 CO -0.02 0.24 -0.04 0.00 -1.72 0.00 0.00 179.24 177.70 2r8u h ALA 117 N 1.80 1.00 0.00 3.45 0.00 -0.90 -3.34 119.26 121.28 2r8u h ALA 117 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2r8u h ALA 117 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2r8u h ALA 117 CO -0.01 0.05 -0.87 0.09 0.00 0.00 0.00 179.25 178.51 2r8u n ASN 118 N -3.15 2.52 -4.73 0.00 4.13 -0.36 -4.84 115.26 108.83 2r8u n ASN 118 Ca 0.01 -0.23 -0.41 0.00 1.68 0.00 0.00 54.58 55.63 2r8u n ASN 118 Cb 0.35 1.15 -0.04 0.00 -1.54 0.00 0.00 39.78 39.70 2r8u n ASN 118 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2r8u s TYR 119 N -2.03 3.51 -2.44 3.10 6.04 0.45 -4.91 117.35 121.07 2r8u s TYR 119 Ca -0.01 1.50 0.21 0.00 0.04 0.00 0.00 57.07 58.81 2r8u s TYR 119 Cb 0.03 -3.35 0.24 0.00 -1.04 0.00 0.00 41.96 37.84 2r8u s TYR 119 CO 0.21 -0.91 1.22 -0.40 -1.54 0.00 0.00 175.55 174.12 2r8u n ASP 120 N 2.60 2.92 0.00 4.32 3.85 -1.26 -4.96 116.55 124.02 2r8u n ASP 120 Ca 0.04 -1.89 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 2r8u n ASP 120 Cb 0.46 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 2r8u n ASP 120 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2r8u n GLY 121 N 1.21 0.76 3.73 6.12 0.00 -1.26 -5.03 105.19 110.72 2r8u n GLY 121 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2r8u n GLY 121 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2r8u n LYS 122 N -2.28 1.77 -1.97 1.61 2.85 -1.26 -4.95 118.16 113.94 2r8u n LYS 122 Ca 0.00 0.64 -0.38 0.00 -1.05 0.00 0.00 58.31 57.52 2r8u n LYS 122 Cb 0.00 -2.52 0.02 0.00 -0.65 0.00 0.00 35.03 31.87 2r8u n LYS 122 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2r8u s ASP 123 N -0.80 5.80 -0.07 -5.58 1.01 -1.26 -5.03 116.67 110.74 2r8u s ASP 123 Ca 0.68 2.64 -0.06 0.00 0.71 0.00 0.00 52.55 56.53 2r8u s ASP 123 Cb -0.44 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 40.88 2r8u s ASP 123 CO 0.52 -1.20 0.17 -0.47 0.21 0.00 0.00 175.17 174.40 2r8u s TYR 124 N -1.34 -0.19 -0.41 4.23 5.04 -1.26 -5.11 117.35 118.30 2r8u s TYR 124 Ca 0.65 0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 55.72 2r8u s TYR 124 Cb -0.37 0.05 0.11 0.00 0.35 0.00 0.00 41.96 42.10 2r8u s TYR 124 CO 0.46 -0.10 0.21 0.34 -1.34 0.00 0.00 175.55 175.12 2r8u s ASP 125 N 0.24 5.29 0.37 4.32 -1.08 -1.26 -4.93 116.67 119.62 2r8u s ASP 125 Ca -0.01 -2.01 0.19 0.00 -0.52 0.00 0.00 52.55 50.20 2r8u s ASP 125 Cb -0.02 -1.84 0.62 0.00 -1.46 0.00 0.00 42.92 40.21 2r8u s ASP 125 CO -0.01 -0.55 1.70 1.55 0.52 0.00 0.00 175.17 178.38 2r8u h PRO 126 N 8.09 0.00 -0.00 4.34 0.13 -1.86 0.11 132.00 142.80 2r8u h PRO 126 Ca -0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 2r8u h PRO 126 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2r8u h PRO 126 CO 0.71 0.37 -0.16 0.28 -0.23 0.00 0.00 178.00 178.97 2r8u h VAL 127 N 0.00 1.57 0.00 1.56 2.07 -1.92 -2.76 116.25 116.77 2r8u h VAL 127 Ca -0.00 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 2r8u h VAL 127 Cb 0.95 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2r8u h VAL 127 CO 0.05 0.51 -0.06 0.00 0.02 0.00 0.00 177.57 178.08 2r8u h ALA 128 N 0.25 1.53 0.00 1.67 0.00 -1.79 -2.08 119.26 118.85 2r8u h ALA 128 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2r8u h ALA 128 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2r8u h ALA 128 CO 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 179.25 179.36 2r8u h ALA 129 N 1.94 1.00 -0.06 0.00 0.00 -0.72 -2.92 119.26 118.50 2r8u h ALA 129 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r8u h ALA 129 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2r8u h ALA 129 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 2r8u n ARG 130 N -2.67 1.71 -0.64 0.00 1.74 -0.79 -4.97 116.66 111.04 2r8u n ARG 130 Ca 0.05 -1.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 2r8u n ARG 130 Cb 0.48 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2r8u n ARG 130 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15