#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ows h THR 2 N 0.00 0.32 -0.86 5.53 2.02 -1.77 -0.89 112.91 117.26 1ows h THR 2 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ows h THR 2 Cb 0.00 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 1ows h THR 2 CO 0.00 0.03 0.49 1.88 0.37 0.00 0.00 175.52 178.29 1ows h TYR 3 N 0.16 1.16 -0.30 3.16 0.05 -1.99 -0.93 116.97 118.27 1ows h TYR 3 Ca 0.49 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 59.15 1ows h TYR 3 Cb 0.92 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1ows h TYR 3 CO -0.35 0.79 -0.19 1.96 -1.05 0.00 0.00 178.16 179.33 1ows h GLN 4 N 1.20 0.66 -0.94 4.88 4.20 -1.62 -2.72 115.11 120.77 1ows h GLN 4 Ca 0.31 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ows h GLN 4 Cb -0.00 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1ows h GLN 4 CO -0.05 0.90 0.58 0.35 -0.67 0.00 0.00 178.83 179.94 1ows h PHE 5 N 0.41 1.22 -0.76 2.96 3.57 -1.08 -1.26 116.94 122.00 1ows h PHE 5 Ca 0.06 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1ows h PHE 5 Cb 0.73 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1ows h PHE 5 CO 0.06 0.80 0.50 -0.09 -2.23 0.00 0.00 178.31 177.36 1ows h ARG 6 N 1.29 0.89 -0.28 1.11 2.43 -0.98 -2.06 114.38 116.77 1ows h ARG 6 Ca 0.34 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 1ows h ARG 6 Cb -0.08 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1ows h ARG 6 CO -0.07 0.59 -0.35 -0.91 -1.51 0.00 0.00 179.97 177.72 1ows h ASN 7 N 0.92 0.78 -0.76 -3.80 2.35 -0.96 -2.21 115.58 111.90 1ows h ASN 7 Ca 0.31 -0.50 0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1ows h ASN 7 Cb 0.08 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.16 1ows h ASN 7 CO -0.09 1.12 0.43 0.24 -1.65 0.00 0.00 177.43 177.48 1ows h MET 8 N 0.46 0.72 -0.05 0.81 2.86 -0.81 0.29 114.93 119.22 1ows h MET 8 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ows h MET 8 Cb 0.93 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 1ows h MET 8 CO 0.08 0.48 0.03 0.82 1.06 0.00 0.00 176.91 179.38 1ows h ILE 9 N 0.74 1.03 0.00 -1.22 2.04 -1.23 0.14 117.51 119.01 1ows h ILE 9 Ca 0.36 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 1ows h ILE 9 Cb 0.30 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1ows h ILE 9 CO -0.23 0.02 -0.05 -0.33 0.00 0.00 0.00 178.15 177.57 1ows h GLU 10 N 0.05 0.00 0.33 2.37 5.08 -0.80 0.27 114.58 121.88 1ows h GLU 10 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1ows h GLU 10 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ows h GLU 10 CO -0.00 0.05 -0.16 0.00 -1.00 0.00 0.00 179.01 177.90 1ows h THR 12 N -0.95 0.72 -2.24 0.00 1.35 -0.44 -3.26 112.91 108.08 1ows h THR 12 Ca -0.05 -1.84 -0.58 0.00 -0.55 0.00 0.00 66.41 63.39 1ows h THR 12 Cb 0.51 2.22 -0.40 0.00 -1.73 0.00 0.00 68.15 68.76 1ows h THR 12 CO 0.07 0.38 -0.89 0.52 -0.25 0.00 0.00 175.52 175.35 1ows n VAL 13 N -3.26 0.24 0.24 6.82 0.31 0.93 -4.77 118.33 118.82 1ows n VAL 13 Ca 0.02 -4.30 0.07 0.00 -0.01 0.00 0.00 64.34 60.12 1ows n VAL 13 Cb 0.64 -1.96 0.57 0.00 -0.91 0.00 0.00 33.84 32.19 1ows n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1ows h PRO 14 N 4.53 0.00 -0.03 5.55 0.11 -1.72 -2.73 132.00 137.71 1ows h PRO 14 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ows h PRO 14 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1ows h PRO 14 CO 0.57 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 1ows n SER 15 N -4.23 0.03 -3.82 -2.05 3.41 -1.26 -4.75 113.62 100.94 1ows n SER 15 Ca -0.02 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.26 1ows n SER 15 Cb 0.21 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1ows n SER 15 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ows s ARG 17 N -1.95 0.50 0.25 4.33 0.52 -1.03 -5.14 118.95 116.43 1ows s ARG 17 Ca 0.00 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 1ows s ARG 17 Cb 0.00 0.22 -0.09 0.00 0.52 0.00 0.00 34.95 35.60 1ows s ARG 17 CO 0.00 -0.12 0.95 0.45 0.02 0.00 0.00 175.30 176.60 1ows s SER 18 N -1.09 7.61 0.29 0.23 0.15 -1.26 -4.84 113.70 114.80 1ows s SER 18 Ca -0.12 1.96 0.19 0.00 0.70 0.00 0.00 55.95 58.68 1ows s SER 18 Cb -0.06 -2.61 1.01 0.00 -1.71 0.00 0.00 66.02 62.65 1ows s SER 18 CO 0.02 0.13 1.55 -2.67 1.20 0.00 0.00 173.24 173.48 1ows n TRP 19 N 1.42 0.63 0.23 3.44 4.27 -1.26 -0.20 117.44 125.98 1ows n TRP 19 Ca -0.02 0.33 0.11 0.00 -3.89 0.00 0.00 57.50 54.03 1ows n TRP 19 Cb 0.47 -1.00 0.55 0.00 -1.36 0.00 0.00 31.31 29.97 1ows n TRP 19 CO 0.00 0.00 0.00 -1.49 -2.29 0.00 0.00 177.69 173.91 1ows h TRP 20 N 0.00 0.00 0.00 -2.67 4.06 -2.01 -2.23 115.95 113.10 1ows h TRP 20 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ows h TRP 20 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1ows h TRP 20 CO 0.00 0.20 0.00 -0.25 -3.56 0.00 0.00 178.44 174.83 1ows n ASP 21 N -3.49 0.18 -0.03 -3.49 9.92 0.72 -1.15 116.55 119.21 1ows n ASP 21 Ca -0.01 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 1ows n ASP 21 Cb 0.36 -0.60 0.01 0.00 -0.64 0.00 0.00 41.12 40.25 1ows n ASP 21 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1ows n PHE 22 N -1.74 0.02 0.95 1.24 3.72 -0.84 -4.57 117.46 116.23 1ows n PHE 22 Ca 0.00 -0.34 0.13 0.00 -0.05 0.00 0.00 57.45 57.18 1ows n PHE 22 Cb 0.04 -0.03 0.35 0.00 -0.94 0.00 0.00 39.48 38.90 1ows n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ows n ALA 23 N -0.30 3.10 -2.76 4.37 0.00 -0.30 -4.34 120.51 120.28 1ows n ALA 23 Ca 0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.09 1ows n ALA 23 Cb 0.18 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.48 1ows n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ows n ASP 24 N -1.58 -2.03 -4.32 0.00 4.64 -1.13 -4.35 116.55 107.76 1ows n ASP 24 Ca 0.06 -3.55 -0.32 0.00 -1.38 0.00 0.00 54.79 49.60 1ows n ASP 24 Cb 0.35 1.64 -0.15 0.00 -1.04 0.00 0.00 41.12 41.92 1ows n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1ows s TYR 25 N 0.02 2.57 0.00 -0.67 6.14 -1.09 0.11 117.35 124.44 1ows s TYR 25 Ca 0.23 -0.62 0.00 0.00 0.64 0.00 0.00 57.07 57.32 1ows s TYR 25 Cb 0.30 -1.66 0.00 0.00 0.42 0.00 0.00 41.96 41.02 1ows s TYR 25 CO -0.05 -0.15 0.00 0.41 0.64 0.00 0.00 175.55 176.39 1ows n GLY 26 N 2.98 0.97 0.02 8.97 0.00 0.27 -1.97 105.19 116.43 1ows n GLY 26 Ca -0.18 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.25 1ows n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ows n TYR 28 N -1.77 0.00 -2.39 0.00 4.01 -1.24 -3.42 117.16 112.34 1ows n TYR 28 Ca 0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.41 1ows n TYR 28 Cb 0.39 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1ows n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ows n GLY 30 N 6.55 0.48 1.78 0.00 0.00 -1.26 -2.67 105.19 110.07 1ows n GLY 30 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1ows n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ows n GLY 33 N 1.55 2.50 3.63 0.00 0.00 -1.22 -4.97 105.19 106.68 1ows n GLY 33 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1ows n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ows s SER 34 N 1.92 -0.31 0.00 1.61 1.04 -1.25 -4.99 113.70 111.74 1ows s SER 34 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1ows s SER 34 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ows s SER 34 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1ows n GLY 35 N -0.38 0.32 3.63 7.32 0.00 -1.25 -4.67 105.19 110.16 1ows n GLY 35 Ca -0.08 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 1ows n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ows s THR 36 N 0.00 4.77 0.19 2.61 2.01 -1.26 -4.99 115.64 118.97 1ows s THR 36 Ca 0.00 1.46 -0.33 0.00 0.31 0.00 0.00 61.69 63.13 1ows s THR 36 Cb 0.00 -4.18 -0.14 0.00 0.01 0.00 0.00 72.50 68.20 1ows s THR 36 CO 0.00 -0.20 1.53 -2.65 -0.69 0.00 0.00 174.62 172.60 1ows n PRO 37 N 6.21 2.14 0.13 4.92 -0.02 -1.26 -4.82 135.00 142.30 1ows n PRO 37 Ca 0.06 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 1ows n PRO 37 Cb 0.48 -2.51 0.46 0.00 -0.02 0.00 0.00 33.50 31.91 1ows n PRO 37 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ows n THR 38 N 2.90 0.74 -3.97 3.45 -2.24 -1.26 -4.92 114.28 108.99 1ows n THR 38 Ca 0.15 0.03 0.01 0.00 -2.27 0.00 0.00 64.05 61.98 1ows n THR 38 Cb 0.30 -0.95 0.01 0.00 -2.10 0.00 0.00 70.33 67.59 1ows n THR 38 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ows n ASP 39 N -2.28 -1.21 -0.17 3.42 5.68 -1.26 -5.00 116.55 115.73 1ows n ASP 39 Ca 0.03 -1.36 -0.02 0.00 -0.50 0.00 0.00 54.79 52.94 1ows n ASP 39 Cb 0.31 1.90 0.07 0.00 -1.14 0.00 0.00 41.12 42.26 1ows n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ows h ASP 40 N 1.82 -0.02 -0.88 -1.12 3.32 -1.92 -0.86 116.42 116.76 1ows h ASP 40 Ca -0.21 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1ows h ASP 40 Cb 1.08 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 1ows h ASP 40 CO 0.29 0.02 0.50 0.25 -1.72 0.00 0.00 179.24 178.58 1ows h LEU 41 N 0.23 1.08 -0.55 1.55 5.85 -1.88 -1.80 115.31 119.79 1ows h LEU 41 Ca 0.26 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1ows h LEU 41 Cb 0.36 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1ows h LEU 41 CO -0.35 0.86 0.12 -0.78 -0.34 0.00 0.00 178.44 177.94 1ows h ASP 42 N 1.22 0.85 -0.26 1.25 3.58 -1.71 -2.09 116.42 119.26 1ows h ASP 42 Ca 0.31 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1ows h ASP 42 Cb 0.00 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1ows h ASP 42 CO -0.05 0.87 0.11 0.03 -2.88 0.00 0.00 179.24 177.33 1ows h ARG 43 N 0.79 0.45 -0.30 0.28 3.08 -0.79 0.31 114.38 118.20 1ows h ARG 43 Ca 0.17 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.22 1ows h ARG 43 Cb 0.37 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1ows h ARG 43 CO 0.01 0.38 -0.01 0.00 -1.07 0.00 0.00 179.97 179.28 1ows h GLN 46 N 0.07 0.40 0.00 0.00 4.15 0.39 -0.96 115.11 119.16 1ows h GLN 46 Ca 0.01 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 1ows h GLN 46 Cb 0.69 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1ows h GLN 46 CO 0.05 0.45 -0.33 0.28 -1.93 0.00 0.00 178.83 177.35 1ows h VAL 47 N 0.27 1.21 -0.16 2.39 2.07 -0.74 -2.73 116.25 118.55 1ows h VAL 47 Ca 0.09 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 1ows h VAL 47 Cb 0.21 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1ows h VAL 47 CO -0.01 0.32 -0.26 -0.74 0.02 0.00 0.00 177.57 176.91 1ows h HIS 48 N 0.00 0.57 -0.38 1.57 -0.00 -0.80 -1.21 115.15 114.90 1ows h HIS 48 Ca -0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 60.37 60.16 1ows h HIS 48 Cb 0.59 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 1ows h HIS 48 CO 0.00 0.89 0.20 0.00 -0.00 0.00 0.00 177.93 179.02 1ows h ASN 50 N 0.48 0.15 -0.37 0.00 -1.24 -1.50 -0.13 115.58 112.97 1ows h ASN 50 Ca 0.13 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.05 1ows h ASN 50 Cb 0.07 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1ows h ASN 50 CO -0.02 0.20 -0.09 0.00 -1.29 0.00 0.00 177.43 176.23 1ows h TYR 52 N 0.51 0.88 -0.42 0.00 -1.99 -0.26 -2.56 116.97 113.14 1ows h TYR 52 Ca 0.09 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.63 1ows h TYR 52 Cb 0.60 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 1ows h TYR 52 CO 0.05 0.83 0.05 0.00 -0.00 0.00 0.00 178.16 179.09 1ows h ARG 53 N 0.75 0.64 -0.17 4.88 3.08 -0.82 -1.48 114.38 121.26 1ows h ARG 53 Ca 0.14 -0.13 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1ows h ARG 53 Cb 0.52 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1ows h ARG 53 CO 0.03 0.62 -0.72 1.96 -1.07 0.00 0.00 179.97 180.79 1ows h GLN 54 N 0.62 0.76 -0.07 0.04 1.08 -1.28 -3.01 115.11 113.25 1ows h GLN 54 Ca 0.13 -0.59 -0.04 0.00 -1.45 0.00 0.00 58.65 56.71 1ows h GLN 54 Cb 0.31 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1ows h GLN 54 CO 0.01 1.20 -0.12 0.00 -0.95 0.00 0.00 178.83 178.97 1ows h ALA 55 N 0.64 1.68 0.00 3.87 0.00 -1.07 -1.53 119.26 122.84 1ows h ALA 55 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ows h ALA 55 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ows h ALA 55 CO 0.15 0.24 0.00 0.78 0.00 0.00 0.00 179.25 180.42 1ows h GLY 56 N 0.54 0.00 1.67 0.00 0.00 -1.13 -1.94 103.07 102.21 1ows h GLY 56 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ows h GLY 56 CO 0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.74 1ows n GLU 57 N -2.83 0.28 -3.09 4.80 1.02 -0.58 -4.55 120.64 115.69 1ows n GLU 57 Ca -0.01 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1ows n GLU 57 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1ows n GLU 57 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ows s ILE 58 N -2.67 4.84 -0.32 -3.67 1.01 -0.73 -5.00 121.20 114.66 1ows s ILE 58 Ca 0.22 0.44 -0.44 0.00 0.00 0.00 0.00 60.65 60.87 1ows s ILE 58 Cb 0.17 -4.14 -0.19 0.00 0.01 0.00 0.00 42.46 38.31 1ows s ILE 58 CO 0.41 -0.44 1.50 -1.54 0.00 0.00 0.00 174.94 174.88 1ows n SER 59 N 6.19 1.21 0.00 3.58 3.41 -1.26 -0.82 113.62 125.92 1ows n SER 59 Ca -0.01 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1ows n SER 59 Cb 0.48 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1ows n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ows n GLY 60 N 3.44 0.57 3.43 5.00 0.00 -1.26 -5.03 105.19 111.34 1ows n GLY 60 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 1ows n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ows s ARG 62 N 2.31 3.54 0.27 0.00 0.52 -1.26 -4.32 118.95 120.01 1ows s ARG 62 Ca 0.12 -2.79 -0.05 0.00 -0.52 0.00 0.00 55.73 52.49 1ows s ARG 62 Cb -0.21 -4.28 0.50 0.00 0.52 0.00 0.00 34.95 31.49 1ows s ARG 62 CO 0.10 -1.25 1.44 -2.30 0.02 0.00 0.00 175.30 173.31 1ows n PRO 63 N 3.32 -0.08 0.29 3.54 -0.02 -1.26 0.74 135.00 141.53 1ows n PRO 63 Ca 0.17 1.43 0.19 0.00 -2.02 0.00 0.00 63.50 63.26 1ows n PRO 63 Cb 0.42 -2.17 1.02 0.00 -0.02 0.00 0.00 33.50 32.76 1ows n PRO 63 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ows h LYS 64 N 0.00 0.00 0.00 -0.52 1.63 -1.96 -3.20 116.57 112.52 1ows h LYS 64 Ca 0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.28 1ows h LYS 64 Cb 0.81 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1ows h LYS 64 CO -0.93 0.00 -0.80 1.19 -3.45 0.00 0.00 179.45 175.46 1ows n PHE 65 N -2.84 0.00 -1.67 1.91 3.01 0.23 -2.62 117.46 115.48 1ows n PHE 65 Ca -0.02 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.97 1ows n PHE 65 Cb 0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 1ows n PHE 65 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ows n LYS 66 N -1.21 2.31 -3.02 -1.08 3.00 0.47 -4.46 118.16 114.16 1ows n LYS 66 Ca 0.00 0.84 -0.40 0.00 -0.00 0.00 0.00 58.31 58.75 1ows n LYS 66 Cb 0.00 -2.74 -0.05 0.00 0.00 0.00 0.00 35.03 32.24 1ows n LYS 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ows s THR 67 N 4.40 5.03 0.40 3.15 2.01 -1.26 0.19 115.64 129.56 1ows s THR 67 Ca 0.93 1.50 0.04 0.00 0.31 0.00 0.00 61.69 64.47 1ows s THR 67 Cb -0.63 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 67.77 1ows s THR 67 CO 0.49 0.25 0.05 -0.72 -0.69 0.00 0.00 174.62 173.99 1ows s TYR 68 N 0.81 2.06 -0.22 4.92 -0.85 -1.26 -4.90 117.35 117.90 1ows s TYR 68 Ca 0.39 -0.94 -0.07 0.00 -0.52 0.00 0.00 57.07 55.92 1ows s TYR 68 Cb -0.18 -1.45 -0.03 0.00 0.38 0.00 0.00 41.96 40.68 1ows s TYR 68 CO 0.19 0.10 0.07 0.99 -1.52 0.00 0.00 175.55 175.38 1ows s THR 69 N -3.06 4.52 0.16 -3.49 2.01 -1.26 -4.96 115.64 109.56 1ows s THR 69 Ca 0.28 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.03 1ows s THR 69 Cb 0.07 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.51 1ows s THR 69 CO 0.14 0.38 0.40 -0.72 -0.69 0.00 0.00 174.62 174.13 1ows s TYR 70 N 1.12 0.00 -0.04 4.92 1.13 -1.26 -1.30 117.35 121.92 1ows s TYR 70 Ca 0.04 -0.35 0.02 0.00 -1.41 0.00 0.00 57.07 55.38 1ows s TYR 70 Cb -0.14 0.21 0.01 0.00 -1.10 0.00 0.00 41.96 40.93 1ows s TYR 70 CO 0.03 -0.77 -0.09 -0.65 -2.51 0.00 0.00 175.55 171.56 1ows s GLN 71 N -3.87 1.14 -0.27 -3.49 -0.21 0.17 -4.93 119.66 108.19 1ows s GLN 71 Ca 0.09 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.18 1ows s GLN 71 Cb 0.01 -1.03 0.07 0.00 1.00 0.00 0.00 33.01 33.07 1ows s GLN 71 CO -0.06 0.07 -0.02 0.00 -2.12 0.00 0.00 175.29 173.16 1ows s SER 73 N 1.26 4.52 -0.51 0.00 0.01 0.28 -4.94 113.70 114.31 1ows s SER 73 Ca -0.01 -2.12 -0.28 0.00 1.31 0.00 0.00 55.95 54.85 1ows s SER 73 Cb -0.19 -1.43 0.04 0.00 0.21 0.00 0.00 66.02 64.65 1ows s SER 73 CO -0.09 -0.37 0.65 0.61 0.41 0.00 0.00 173.24 174.45 1ows n GLY 74 N 4.28 -0.36 3.88 3.44 0.00 -1.26 -1.64 105.19 113.53 1ows n GLY 74 Ca 0.03 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.13 1ows n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ows n GLY 75 N -0.47 1.96 3.66 -0.02 0.00 -1.23 -4.94 105.19 104.15 1ows n GLY 75 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1ows n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ows s THR 76 N -1.83 5.28 -0.07 2.61 2.01 -0.65 -4.87 115.64 118.11 1ows s THR 76 Ca 0.00 0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1ows s THR 76 Cb 0.00 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1ows s THR 76 CO 0.00 0.29 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.26 1ows s LEU 77 N 1.22 1.96 -0.05 4.42 1.43 -1.26 0.99 118.68 127.39 1ows s LEU 77 Ca 0.13 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1ows s LEU 77 Cb -0.14 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1ows s LEU 77 CO 0.06 0.15 0.03 -0.89 0.23 0.00 0.00 176.35 175.93 1ows s THR 78 N 0.24 0.14 -0.06 5.49 2.01 0.78 -4.99 115.64 119.25 1ows s THR 78 Ca -0.12 0.25 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 1ows s THR 78 Cb -0.15 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1ows s THR 78 CO 0.06 0.21 0.61 0.00 -0.69 0.00 0.00 174.62 174.81 1ows s LYS 80 N 0.46 4.34 0.42 0.00 1.02 -0.42 -4.97 119.74 120.59 1ows s LYS 80 Ca 0.33 1.05 0.09 0.00 0.02 0.00 0.00 55.97 57.46 1ows s LYS 80 Cb -0.17 -2.69 0.93 0.00 -0.52 0.00 0.00 37.83 35.37 1ows s LYS 80 CO 0.16 0.26 2.04 0.78 -0.92 0.00 0.00 175.35 177.67 1ows h GLY 81 N 2.96 0.55 0.16 -3.33 0.00 -1.97 -2.91 103.07 98.54 1ows h GLY 81 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1ows h GLY 81 CO 0.65 0.17 0.00 1.16 0.00 0.00 0.00 176.54 178.51 1ows n ASN 82 N -4.48 0.00 -4.80 0.19 6.94 -1.26 -4.65 115.26 107.21 1ows n ASN 82 Ca 0.05 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.22 1ows n ASN 82 Cb 0.14 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 1ows n ASN 82 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1ows s ASN 83 N -1.69 6.98 0.94 0.53 0.01 -1.10 -5.00 114.94 115.61 1ows s ASN 83 Ca 0.00 1.16 -0.15 0.00 -0.71 0.00 0.00 52.86 53.16 1ows s ASN 83 Cb 0.00 -2.34 0.18 0.00 0.41 0.00 0.00 41.25 39.50 1ows s ASN 83 CO 0.00 0.22 1.30 0.54 -1.51 0.00 0.00 177.10 177.65 1ows s ASN 84 N -0.76 3.31 0.19 -1.22 2.20 -1.26 -4.54 114.94 112.86 1ows s ASN 84 Ca 0.28 0.32 -0.16 0.00 -0.94 0.00 0.00 52.86 52.37 1ows s ASN 84 Cb -0.18 -0.42 0.17 0.00 -2.00 0.00 0.00 41.25 38.81 1ows s ASN 84 CO 0.17 -2.61 1.64 0.00 -2.94 0.00 0.00 177.10 173.35 1ows h ALA 85 N -1.55 0.31 -0.06 3.54 0.00 -1.98 1.16 119.26 120.68 1ows h ALA 85 Ca -0.44 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ows h ALA 85 Cb 1.25 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ows h ALA 85 CO 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1ows h ALA 87 N 0.74 0.89 -0.43 0.00 0.00 -1.81 -1.25 119.26 117.39 1ows h ALA 87 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1ows h ALA 87 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ows h ALA 87 CO 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 1ows h ALA 88 N 1.07 0.58 -0.24 0.00 0.00 0.14 -0.24 119.26 120.57 1ows h ALA 88 Ca 0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1ows h ALA 88 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ows h ALA 88 CO 0.04 0.38 -0.10 0.77 0.00 0.00 0.00 179.25 180.35 1ows h SER 89 N 0.61 0.49 -0.03 0.00 0.02 -1.08 -2.31 113.55 111.25 1ows h SER 89 Ca 0.12 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1ows h SER 89 Cb 0.51 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1ows h SER 89 CO 0.02 0.78 0.01 -1.28 -1.14 0.00 0.00 176.83 175.23 1ows h SER 90 N 0.20 0.03 -0.96 3.07 0.87 -1.17 -2.17 113.55 113.42 1ows h SER 90 Ca 0.05 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1ows h SER 90 Cb 0.58 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 1ows h SER 90 CO 0.03 0.08 0.62 0.00 -0.53 0.00 0.00 176.83 177.03 1ows h ASP 92 N 1.16 0.00 0.61 0.00 3.32 -1.15 -1.05 116.42 119.31 1ows h ASP 92 Ca 0.40 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 1ows h ASP 92 Cb 0.10 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.65 1ows h ASP 92 CO -0.15 0.38 -0.29 0.00 -1.72 0.00 0.00 179.24 177.46 1ows h ASP 94 N -0.99 0.16 0.11 0.00 3.32 -1.36 0.27 116.42 117.93 1ows h ASP 94 Ca -0.08 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ows h ASP 94 Cb 0.63 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1ows h ASP 94 CO 0.14 0.11 -0.07 -0.09 -1.72 0.00 0.00 179.24 177.61 1ows h ARG 95 N 0.35 -0.18 -0.74 3.56 2.43 -1.26 0.29 114.38 118.82 1ows h ARG 95 Ca 0.26 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1ows h ARG 95 Cb 0.30 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1ows h ARG 95 CO -0.28 -0.12 0.33 -0.07 -1.51 0.00 0.00 179.97 178.33 1ows h LEU 96 N -0.18 0.98 -0.58 3.80 3.38 -0.99 1.00 115.31 122.72 1ows h LEU 96 Ca -0.01 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1ows h LEU 96 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ows h LEU 96 CO 0.00 0.84 -0.10 0.00 0.09 0.00 0.00 178.44 179.28 1ows h ALA 97 N 1.30 0.78 -0.74 1.53 0.00 -0.64 0.19 119.26 121.68 1ows h ALA 97 Ca 0.25 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ows h ALA 97 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ows h ALA 97 CO -0.03 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.12 1ows h ALA 98 N 0.95 0.97 -0.32 0.00 0.00 0.46 0.30 119.26 121.63 1ows h ALA 98 Ca 0.14 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1ows h ALA 98 Cb 0.67 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ows h ALA 98 CO 0.05 0.66 -0.24 0.82 0.00 0.00 0.00 179.25 180.54 1ows h ILE 99 N 1.11 1.29 -0.27 0.00 2.04 -0.63 -2.84 117.51 118.21 1ows h ILE 99 Ca 0.24 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.75 1ows h ILE 99 Cb 0.32 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1ows h ILE 99 CO -0.01 0.45 0.05 0.00 0.00 0.00 0.00 178.15 178.64 1ows h PHE 101 N 0.14 1.11 0.00 0.00 0.04 -0.90 -0.91 116.94 116.42 1ows h PHE 101 Ca 0.13 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1ows h PHE 101 Cb 0.13 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1ows h PHE 101 CO -0.17 0.46 -0.05 0.00 -0.60 0.00 0.00 178.31 177.95 1ows h ALA 102 N 1.51 1.26 -0.10 2.45 0.00 -1.03 -2.76 119.26 120.60 1ows h ALA 102 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ows h ALA 102 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ows h ALA 102 CO -0.25 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1ows n GLY 103 N -0.89 0.72 3.44 0.00 0.00 -0.37 -4.96 105.19 103.13 1ows n GLY 103 Ca -0.02 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1ows n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ows s ALA 104 N -1.48 2.79 0.47 4.61 0.00 -1.04 -5.06 121.76 122.05 1ows s ALA 104 Ca 0.24 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 1ows s ALA 104 Cb 0.16 -1.31 -0.08 0.00 0.00 0.00 0.00 23.12 21.89 1ows s ALA 104 CO 0.24 0.29 1.31 -2.30 0.00 0.00 0.00 175.76 175.30 1ows n PRO 105 N 3.31 1.86 -3.61 0.00 -0.02 -1.26 -4.83 135.00 130.45 1ows n PRO 105 Ca -0.18 0.67 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 1ows n PRO 105 Cb 0.53 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 1ows n PRO 105 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ows s TYR 106 N -1.24 3.23 -0.49 6.00 6.14 -1.26 -4.52 117.35 125.20 1ows s TYR 106 Ca 0.65 -0.87 -0.18 0.00 0.64 0.00 0.00 57.07 57.31 1ows s TYR 106 Cb -0.46 -2.42 0.06 0.00 0.42 0.00 0.00 41.96 39.56 1ows s TYR 106 CO 0.55 -0.60 0.54 1.21 0.64 0.00 0.00 175.55 177.89 1ows s ASN 107 N 1.57 6.20 0.56 4.32 3.84 -1.26 -4.94 114.94 125.23 1ows s ASN 107 Ca 0.03 -1.00 0.37 0.00 0.21 0.00 0.00 52.86 52.46 1ows s ASN 107 Cb -0.19 -2.25 1.50 0.00 -0.55 0.00 0.00 41.25 39.76 1ows s ASN 107 CO 0.06 -0.79 1.73 0.44 -2.79 0.00 0.00 177.10 175.75 1ows h ASP 108 N 8.90 0.00 -0.64 -4.21 3.32 -1.98 0.67 116.42 122.48 1ows h ASP 108 Ca -0.28 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 1ows h ASP 108 Cb 1.10 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 1ows h ASP 108 CO 0.92 0.00 0.20 0.78 -1.72 0.00 0.00 179.24 179.42 1ows h ASN 109 N 0.00 0.95 0.00 6.45 -0.26 -2.04 -2.90 115.58 117.79 1ows h ASN 109 Ca 0.56 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1ows h ASN 109 Cb 2.41 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 39.42 1ows h ASN 109 CO -0.01 0.90 0.00 0.59 -1.06 0.00 0.00 177.43 177.85 1ows n ASN 110 N -4.26 0.00 -4.84 5.81 3.02 0.23 -4.73 115.26 110.49 1ows n ASN 110 Ca 0.05 -1.76 -0.38 0.00 -0.03 0.00 0.00 54.58 52.46 1ows n ASN 110 Cb 0.22 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 1ows n ASN 110 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ows s TYR 111 N -2.00 3.72 -1.41 3.10 5.04 -1.10 0.95 117.35 125.65 1ows s TYR 111 Ca 0.05 0.98 -0.02 0.00 -2.44 0.00 0.00 57.07 55.65 1ows s TYR 111 Cb 0.02 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 40.06 1ows s TYR 111 CO 0.04 0.64 0.36 -1.71 -1.34 0.00 0.00 175.55 173.54 1ows n ASN 112 N 1.76 -0.37 -4.89 4.32 5.15 0.30 -4.91 115.26 116.62 1ows n ASN 112 Ca -0.14 -1.06 -0.29 0.00 -0.60 0.00 0.00 54.58 52.49 1ows n ASN 112 Cb 0.52 -2.78 0.03 0.00 -0.53 0.00 0.00 39.78 37.02 1ows n ASN 112 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ows s ILE 113 N -4.01 4.03 -0.59 -1.44 -4.36 -1.26 -4.97 121.20 108.60 1ows s ILE 113 Ca 0.03 0.47 -0.27 0.00 -0.26 0.00 0.00 60.65 60.62 1ows s ILE 113 Cb -0.01 -3.63 -0.00 0.00 1.25 0.00 0.00 42.46 40.07 1ows s ILE 113 CO 0.91 -0.77 1.62 -0.62 0.24 0.00 0.00 174.94 176.31 1ows s ASP 114 N -4.27 5.75 0.15 4.36 3.68 -1.26 -4.87 116.67 120.22 1ows s ASP 114 Ca 0.55 0.29 -0.10 0.00 2.13 0.00 0.00 52.55 55.42 1ows s ASP 114 Cb -0.11 -2.54 -0.00 0.00 -1.45 0.00 0.00 42.92 38.82 1ows s ASP 114 CO 0.50 -2.01 1.54 -0.07 0.13 0.00 0.00 175.17 175.26 1ows h LEU 115 N 14.52 1.01 -0.53 -1.34 3.38 -1.93 0.13 115.31 130.56 1ows h LEU 115 Ca -0.27 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.35 1ows h LEU 115 Cb 1.12 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1ows h LEU 115 CO 1.20 1.19 0.25 0.50 0.09 0.00 0.00 178.44 181.66 1ows h LYS 116 N 0.83 0.46 0.00 1.13 3.64 -1.96 -1.05 116.57 119.62 1ows h LYS 116 Ca 0.10 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1ows h LYS 116 Cb 0.81 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1ows h LYS 116 CO 0.07 0.30 -0.89 0.00 -2.27 0.00 0.00 179.45 176.66 1ows h ALA 117 N 1.30 0.65 0.00 5.00 0.00 -1.95 -3.31 119.26 120.94 1ows h ALA 117 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ows h ALA 117 Cb 0.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ows h ALA 117 CO -0.19 0.35 -0.71 0.54 0.00 0.00 0.00 179.25 179.24 1ows n ARG 118 N -2.88 2.16 0.00 0.00 1.74 0.03 -4.51 116.66 113.20 1ows n ARG 118 Ca -0.02 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1ows n ARG 118 Cb 0.66 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 1ows n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11