#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gks h GLY 2 N 0.00 1.53 0.96 6.12 0.00 -1.96 -0.97 103.07 108.75 1gks h GLY 2 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1gks h GLY 2 CO 0.00 0.01 -0.13 -2.09 0.00 0.00 0.00 176.54 174.32 1gks h GLU 3 N 0.74 -0.33 -0.30 4.80 4.81 -1.91 0.26 114.58 122.65 1gks h GLU 3 Ca 0.49 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.82 1gks h GLU 3 Cb 0.66 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.04 1gks h GLU 3 CO -0.34 -0.22 -0.24 0.77 -0.73 0.00 0.00 179.01 178.25 1gks h SER 4 N -0.34 -0.79 0.27 1.04 0.02 -1.64 0.90 113.55 113.01 1gks h SER 4 Ca -0.03 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gks h SER 4 Cb 0.28 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 1gks h SER 4 CO 0.03 -0.27 -0.48 0.40 -1.14 0.00 0.00 176.83 175.37 1gks h ILE 5 N -0.22 0.07 0.04 3.27 2.04 -1.03 0.21 117.51 121.89 1gks h ILE 5 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1gks h ILE 5 Cb 0.46 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1gks h ILE 5 CO -0.43 0.00 -0.15 0.22 0.00 0.00 0.00 178.15 177.78 1gks h TYR 6 N -0.82 -0.40 -0.18 1.37 3.20 -0.59 0.48 116.97 120.03 1gks h TYR 6 Ca -0.02 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1gks h TYR 6 Cb 0.77 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1gks h TYR 6 CO -0.34 -0.23 -0.22 0.82 -1.64 0.00 0.00 178.16 176.55 1gks h ILE 7 N -0.27 1.34 0.00 1.81 2.04 -0.76 -2.78 117.51 118.88 1gks h ILE 7 Ca 0.04 -1.41 -0.19 0.00 1.00 0.00 0.00 64.86 64.31 1gks h ILE 7 Cb 0.32 1.83 -0.15 0.00 -0.74 0.00 0.00 36.82 38.09 1gks h ILE 7 CO -0.12 0.43 -0.29 -0.46 0.00 0.00 0.00 178.15 177.70 1gks n ASN 8 N -4.44 -1.63 -2.48 1.72 2.04 0.63 -4.63 115.26 106.47 1gks n ASN 8 Ca -0.06 -2.29 -0.01 0.00 -0.44 0.00 0.00 54.58 51.79 1gks n ASN 8 Cb 0.42 0.83 0.07 0.00 -2.53 0.00 0.00 39.78 38.56 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1gks n GLY 9 N -1.08 1.70 3.10 4.83 0.00 0.14 -4.80 105.19 109.08 1gks n GLY 9 Ca -0.11 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 1gks n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gks s THR 10 N -1.57 0.29 -0.14 2.61 -4.23 -1.08 -4.60 115.64 106.92 1gks s THR 10 Ca 0.18 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1gks s THR 10 Cb 0.35 -1.49 0.06 0.00 1.34 0.00 0.00 72.50 72.76 1gks s THR 10 CO -0.08 -0.96 0.13 0.00 -0.54 0.00 0.00 174.62 173.17 1gks s ALA 11 N -3.75 0.10 0.67 3.99 0.00 -1.26 -2.70 121.76 118.81 1gks s ALA 11 Ca 0.07 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.95 1gks s ALA 11 Cb 0.07 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1gks s ALA 11 CO -0.09 -0.95 0.70 -2.30 0.00 0.00 0.00 175.76 173.13 1gks n PRO 12 N 5.30 0.50 -1.92 0.00 -0.02 -1.26 -4.90 135.00 132.70 1gks n PRO 12 Ca -0.05 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 1gks n PRO 12 Cb 0.49 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1gks n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gks s THR 13 N -1.77 3.43 0.24 3.45 -4.23 -1.10 -4.89 115.64 110.76 1gks s THR 13 Ca 0.70 0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 61.62 1gks s THR 13 Cb -0.38 -3.39 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1gks s THR 13 CO 0.53 -0.13 1.63 0.00 -0.54 0.00 0.00 174.62 176.12 1gks h SER 15 N 0.08 -0.21 -0.77 0.00 4.64 -1.75 0.07 113.55 115.61 1gks h SER 15 Ca 0.38 0.20 0.22 0.00 -0.47 0.00 0.00 61.79 62.12 1gks h SER 15 Cb 0.65 0.32 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1gks h SER 15 CO -0.66 -0.17 0.57 0.28 -0.87 0.00 0.00 176.83 175.98 1gks h SER 16 N 0.15 0.00 0.00 4.97 0.02 -1.40 0.16 113.55 117.45 1gks h SER 16 Ca 0.47 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.28 1gks h SER 16 Cb 0.89 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1gks h SER 16 CO -0.67 0.00 -1.46 0.00 -1.14 0.00 0.00 176.83 173.56 1gks h HIS 18 N -1.00 0.32 -0.31 0.00 3.86 -0.94 0.31 115.15 117.39 1gks h HIS 18 Ca -0.21 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 58.83 1gks h HIS 18 Cb 1.18 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 1gks h HIS 18 CO -0.32 0.54 -0.20 0.22 0.86 0.00 0.00 177.93 179.04 1gks h ASP 19 N 0.26 0.72 1.33 2.45 3.58 -0.88 -3.20 116.42 120.69 1gks h ASP 19 Ca 0.04 -0.43 -0.14 0.00 0.42 0.00 0.00 57.03 56.92 1gks h ASP 19 Cb 0.62 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1gks h ASP 19 CO 0.04 0.99 -0.67 0.03 -2.88 0.00 0.00 179.24 176.75 1gks h ARG 20 N 0.45 0.00 -1.11 0.28 2.47 -1.62 -3.47 114.38 111.37 1gks h ARG 20 Ca 0.06 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1gks h ARG 20 Cb 0.74 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.07 1gks h ARG 20 CO 0.05 0.66 -0.12 0.41 0.56 0.00 0.00 179.97 181.53 1gks n GLY 21 N 1.27 0.35 3.77 0.04 0.00 0.10 -4.99 105.19 105.74 1gks n GLY 21 Ca 0.01 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1gks n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gks s VAL 22 N -2.52 2.10 -1.07 1.61 0.11 -0.75 -1.36 120.40 118.53 1gks s VAL 22 Ca 0.04 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1gks s VAL 22 Cb -0.02 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1gks s VAL 22 CO 0.05 0.02 0.00 0.00 -3.33 0.00 0.00 175.10 171.84 1gks n ALA 23 N 0.24 -0.73 -2.04 1.54 0.00 -1.26 -0.72 120.51 117.54 1gks n ALA 23 Ca 0.02 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1gks n ALA 23 Cb 0.40 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1gks n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gks n GLY 24 N -0.75 0.15 3.72 0.00 0.00 -0.46 -4.86 105.19 102.98 1gks n GLY 24 Ca -0.14 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1gks n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gks n ALA 25 N -1.06 2.10 -1.86 4.61 0.00 0.10 -4.86 120.51 119.55 1gks n ALA 25 Ca -0.11 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 1gks n ALA 25 Cb 0.55 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 1gks n ALA 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gks s PRO 26 N -0.42 3.44 0.82 0.00 0.04 -1.26 -4.49 135.00 133.13 1gks s PRO 26 Ca 0.66 1.80 -0.09 0.00 0.04 0.00 0.00 61.00 63.40 1gks s PRO 26 Cb -0.54 -4.22 0.14 0.00 0.04 0.00 0.00 34.50 29.92 1gks s PRO 26 CO 0.48 -1.74 1.15 -1.21 0.04 0.00 0.00 177.00 175.73 1gks s GLU 27 N 5.57 1.36 0.67 4.56 8.01 -1.26 -4.88 118.70 132.73 1gks s GLU 27 Ca 0.86 -0.57 -0.15 0.00 0.01 0.00 0.00 54.97 55.12 1gks s GLU 27 Cb -0.29 -2.07 0.01 0.00 -4.31 0.00 0.00 34.13 27.47 1gks s GLU 27 CO 0.34 -1.82 1.14 -0.51 0.01 0.00 0.00 175.26 174.42 1gks s LEU 28 N -5.50 3.39 -1.02 1.80 2.01 -1.26 -3.36 118.68 114.74 1gks s LEU 28 Ca 0.68 2.12 -0.05 0.00 0.01 0.00 0.00 54.13 56.89 1gks s LEU 28 Cb -0.06 -4.57 0.04 0.00 0.01 0.00 0.00 46.19 41.62 1gks s LEU 28 CO 0.48 -1.80 0.25 0.59 1.01 0.00 0.00 176.35 176.89 1gks n ASN 29 N -2.42 -3.25 -2.94 2.29 3.02 0.94 -4.89 115.26 108.00 1gks n ASN 29 Ca 0.11 -0.08 -0.28 0.00 -0.03 0.00 0.00 54.58 54.30 1gks n ASN 29 Cb 0.51 -2.75 -0.03 0.00 -0.61 0.00 0.00 39.78 36.90 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gks n ALA 30 N -2.94 4.80 -0.32 5.41 0.00 -1.21 -4.95 120.51 121.30 1gks n ALA 30 Ca -0.05 -4.68 0.16 0.00 0.00 0.00 0.00 53.44 48.87 1gks n ALA 30 Cb 0.55 -0.80 0.35 0.00 0.00 0.00 0.00 19.45 19.55 1gks n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gks h PRO 31 N 3.02 0.42 -1.06 0.00 0.13 -1.90 0.73 132.00 133.35 1gks h PRO 31 Ca 0.17 -0.03 0.28 0.00 -0.87 0.00 0.00 66.00 65.55 1gks h PRO 31 Cb 0.52 -0.09 -0.11 0.00 0.13 0.00 0.00 31.00 31.44 1gks h PRO 31 CO 0.84 0.28 0.66 1.49 -0.23 0.00 0.00 178.00 181.04 1gks h GLU 32 N 0.43 0.40 0.00 0.86 4.81 -1.99 0.23 114.58 119.32 1gks h GLU 32 Ca 0.60 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.68 1gks h GLU 32 Cb 1.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1gks h GLU 32 CO -0.53 0.26 -0.64 0.22 -0.73 0.00 0.00 179.01 177.60 1gks h ASP 33 N 0.41 0.00 0.53 1.04 1.82 -1.25 -3.21 116.42 115.75 1gks h ASP 33 Ca 0.65 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.29 1gks h ASP 33 Cb 1.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.56 1gks h ASP 33 CO -0.39 0.64 -0.80 0.79 -1.61 0.00 0.00 179.24 177.87 1gks n TRP 34 N -3.45 0.26 -0.27 0.28 7.02 0.55 -4.42 117.44 117.41 1gks n TRP 34 Ca 0.00 0.07 0.15 0.00 -1.02 0.00 0.00 57.50 56.70 1gks n TRP 34 Cb 0.71 -0.42 0.28 0.00 -2.42 0.00 0.00 31.31 29.47 1gks n TRP 34 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gks n ALA 35 N -1.73 0.49 -1.42 6.99 0.00 0.29 -0.44 120.51 124.69 1gks n ALA 35 Ca 0.03 0.83 -0.02 0.00 0.00 0.00 0.00 53.44 54.29 1gks n ALA 35 Cb 0.41 -0.66 0.20 0.00 0.00 0.00 0.00 19.45 19.40 1gks n ALA 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1gks n ASP 36 N -5.04 2.50 -4.23 0.00 9.92 -1.26 -4.96 116.55 113.48 1gks n ASP 36 Ca 0.21 -3.71 -0.34 0.00 -0.53 0.00 0.00 54.79 50.42 1gks n ASP 36 Cb 0.69 -0.61 -0.15 0.00 -0.64 0.00 0.00 41.12 40.42 1gks n ASP 36 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1gks s ARG 37 N -3.20 3.19 -0.18 -1.24 0.52 0.41 -5.08 118.95 113.38 1gks s ARG 37 Ca 0.43 -0.73 -0.36 0.00 -0.52 0.00 0.00 55.73 54.56 1gks s ARG 37 Cb 0.39 -2.85 -0.13 0.00 0.52 0.00 0.00 34.95 32.89 1gks s ARG 37 CO -0.00 -0.22 1.89 -2.30 0.02 0.00 0.00 175.30 174.69 1gks n PRO 38 N 4.72 1.76 0.29 3.54 -0.02 -1.26 -4.84 135.00 139.19 1gks n PRO 38 Ca -0.19 0.63 0.17 0.00 -2.02 0.00 0.00 63.50 62.09 1gks n PRO 38 Cb 0.50 -2.48 0.87 0.00 -0.02 0.00 0.00 33.50 32.36 1gks n PRO 38 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1gks h SER 39 N 9.14 0.00 -0.70 2.55 4.64 -1.98 -3.42 113.55 123.78 1gks h SER 39 Ca -0.45 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.30 1gks h SER 39 Cb 1.29 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.34 1gks h SER 39 CO 0.96 0.05 1.60 -1.20 -0.87 0.00 0.00 176.83 177.37 1gks n SER 40 N -3.34 1.34 -0.27 4.97 7.64 -1.26 -4.83 113.62 117.87 1gks n SER 40 Ca -0.02 0.11 0.08 0.00 1.01 0.00 0.00 58.87 60.06 1gks n SER 40 Cb 0.20 -1.18 0.23 0.00 -1.01 0.00 0.00 64.21 62.45 1gks n SER 40 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1gks h VAL 41 N 7.59 0.54 -0.82 0.44 2.07 -1.99 0.18 116.25 124.25 1gks h VAL 41 Ca -0.16 -0.13 0.18 0.00 0.82 0.00 0.00 66.70 67.41 1gks h VAL 41 Cb 1.31 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1gks h VAL 41 CO 1.20 0.07 0.55 -2.24 0.02 0.00 0.00 177.57 177.17 1gks h ASP 42 N 0.37 0.35 0.00 0.57 2.03 -1.97 0.12 116.42 117.89 1gks h ASP 42 Ca 0.47 0.03 -0.05 0.00 -0.73 0.00 0.00 57.03 56.75 1gks h ASP 42 Cb 0.81 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.27 1gks h ASP 42 CO -0.49 0.16 -0.29 -0.33 -1.03 0.00 0.00 179.24 177.25 1gks h GLU 43 N 0.36 0.00 -0.97 4.15 5.08 -1.05 -3.36 114.58 118.78 1gks h GLU 43 Ca 0.42 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.94 1gks h GLU 43 Cb 1.08 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 1gks h GLU 43 CO -0.13 0.88 0.61 -0.07 -1.00 0.00 0.00 179.01 179.30 1gks h LEU 44 N -1.00 0.76 -1.16 1.33 3.38 -0.59 0.14 115.31 118.16 1gks h LEU 44 Ca -0.08 0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1gks h LEU 44 Cb 0.97 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1gks h LEU 44 CO -0.05 0.33 0.57 -0.37 0.09 0.00 0.00 178.44 179.02 1gks h VAL 45 N 0.77 1.20 -0.28 1.22 -1.51 -0.94 0.28 116.25 117.00 1gks h VAL 45 Ca 0.52 -0.39 -0.04 0.00 -1.23 0.00 0.00 66.70 65.56 1gks h VAL 45 Cb 0.79 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 1gks h VAL 45 CO -0.29 0.21 0.00 -0.33 -1.23 0.00 0.00 177.57 175.93 1gks h GLU 46 N 1.14 0.49 -0.67 5.19 4.39 -0.89 0.26 114.58 124.49 1gks h GLU 46 Ca 0.32 -0.15 0.10 0.00 0.34 0.00 0.00 59.36 59.97 1gks h GLU 46 Cb -0.08 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.44 1gks h GLU 46 CO -0.08 0.64 0.28 0.77 -1.16 0.00 0.00 179.01 179.46 1gks h SER 47 N 0.28 0.30 -0.17 1.42 0.02 -0.84 0.52 113.55 115.08 1gks h SER 47 Ca 0.08 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1gks h SER 47 Cb 0.42 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1gks h SER 47 CO 0.01 0.16 -0.26 0.74 -1.14 0.00 0.00 176.83 176.35 1gks h THR 48 N 0.47 1.35 0.07 -2.27 2.02 -0.61 0.23 112.91 114.17 1gks h THR 48 Ca 0.34 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1gks h THR 48 Cb 0.43 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1gks h THR 48 CO -0.32 0.45 -0.13 -0.07 0.37 0.00 0.00 175.52 175.81 1gks h LEU 49 N 0.12 -0.37 -0.63 2.58 3.38 -0.05 -1.10 115.31 119.23 1gks h LEU 49 Ca 0.02 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1gks h LEU 49 Cb 0.83 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1gks h LEU 49 CO 0.06 -0.20 -0.65 0.00 0.09 0.00 0.00 178.44 177.74 1gks h ALA 50 N 0.63 0.84 0.00 1.53 0.00 -0.95 -0.00 119.26 121.31 1gks h ALA 50 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1gks h ALA 50 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gks h ALA 50 CO -0.08 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1gks n GLY 51 N 0.36 -0.61 3.63 0.00 0.00 0.81 -3.95 105.19 105.43 1gks n GLY 51 Ca -0.02 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 1gks n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gks s LYS 52 N -3.06 0.74 5.59 1.61 2.20 -0.45 -4.83 119.74 121.53 1gks s LYS 52 Ca 0.00 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1gks s LYS 52 Cb 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1gks s LYS 52 CO 0.00 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1gks n GLY 53 N 2.66 2.92 0.29 5.54 0.00 -1.26 -0.51 105.19 114.82 1gks n GLY 53 Ca -0.14 -0.31 0.18 0.00 0.00 0.00 0.00 46.02 45.75 1gks n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gks h ALA 54 N -0.89 1.05 -2.17 4.61 0.00 -1.96 -3.44 119.26 116.46 1gks h ALA 54 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 1gks h ALA 54 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gks h ALA 54 CO 0.00 0.04 1.19 1.41 0.00 0.00 0.00 179.25 181.88 1gks s MET 55 N -3.91 3.91 0.59 0.00 0.00 0.33 -4.98 119.30 115.24 1gks s MET 55 Ca -0.02 2.09 -0.16 0.00 0.00 0.00 0.00 55.69 57.60 1gks s MET 55 Cb 0.11 -4.09 -0.03 0.00 0.00 0.00 0.00 34.83 30.81 1gks s MET 55 CO 0.51 -1.18 1.08 -1.25 0.00 0.00 0.00 175.02 174.18 1gks s PRO 56 N 4.64 3.23 0.09 4.11 0.04 -1.26 -1.34 135.00 144.50 1gks s PRO 56 Ca 0.80 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 62.85 1gks s PRO 56 Cb -0.33 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 1gks s PRO 56 CO 0.33 -0.90 1.88 0.00 0.04 0.00 0.00 177.00 178.35 1gks n ALA 57 N -1.93 1.94 1.27 8.56 0.00 -1.25 -4.35 120.51 124.75 1gks n ALA 57 Ca 0.10 0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1gks n ALA 57 Cb 0.52 -2.62 0.39 0.00 0.00 0.00 0.00 19.45 17.75 1gks n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gks n TYR 58 N 6.24 0.00 -1.50 0.00 4.02 -0.19 -4.87 117.16 120.86 1gks n TYR 58 Ca 0.19 0.00 -0.59 0.00 -0.01 0.00 0.00 57.90 57.49 1gks n TYR 58 Cb 0.38 -0.11 -0.09 0.00 -0.02 0.00 0.00 39.34 39.50 1gks n TYR 58 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1gks n ASP 59 N -0.55 1.51 0.00 7.72 2.03 -0.21 -0.09 116.55 126.96 1gks n ASP 59 Ca 0.13 0.82 0.00 0.00 0.52 0.00 0.00 54.79 56.26 1gks n ASP 59 Cb 0.35 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1gks n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gks n GLY 60 N 5.83 3.11 0.12 0.27 0.00 -1.26 -4.79 105.19 108.47 1gks n GLY 60 Ca 0.41 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 1gks n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gks h ARG 61 N 1.47 0.19 -4.78 1.61 3.08 -0.84 -3.44 114.38 111.67 1gks h ARG 61 Ca 0.00 -0.32 -0.58 0.00 0.07 0.00 0.00 59.98 59.15 1gks h ARG 61 Cb 0.00 0.12 -0.34 0.00 0.08 0.00 0.00 29.97 29.83 1gks h ARG 61 CO 0.00 1.15 -0.84 0.00 -1.07 0.00 0.00 179.97 179.22 1gks s ALA 62 N -2.46 1.67 0.46 0.04 0.00 -0.19 -4.95 121.76 116.33 1gks s ALA 62 Ca -0.22 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1gks s ALA 62 Cb 0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 23.12 22.30 1gks s ALA 62 CO 0.72 0.01 0.95 0.34 0.00 0.00 0.00 175.76 177.78 1gks s ASP 63 N 0.84 6.76 0.16 0.00 2.15 -1.26 -4.56 116.67 120.76 1gks s ASP 63 Ca -0.10 1.58 0.01 0.00 0.43 0.00 0.00 52.55 54.47 1gks s ASP 63 Cb -0.15 -2.50 0.39 0.00 -0.30 0.00 0.00 42.92 40.36 1gks s ASP 63 CO 0.01 -0.46 0.83 -1.14 -0.17 0.00 0.00 175.17 174.23 1gks n ARG 64 N -1.11 -0.04 0.06 4.34 0.63 -1.26 0.20 116.66 119.49 1gks n ARG 64 Ca 0.06 0.79 -0.12 0.00 -0.92 0.00 0.00 57.85 57.66 1gks n ARG 64 Cb 0.54 -1.25 -0.07 0.00 0.45 0.00 0.00 32.46 32.12 1gks n ARG 64 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1gks h GLU 65 N 0.00 -0.06 0.28 -0.14 4.81 -1.98 0.24 114.58 117.72 1gks h GLU 65 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1gks h GLU 65 Cb 0.65 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1gks h GLU 65 CO -0.50 -0.04 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.03 1gks h ASP 66 N -0.07 -0.71 -0.09 1.04 3.32 -0.60 -0.80 116.42 118.50 1gks h ASP 66 Ca -0.01 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1gks h ASP 66 Cb 0.05 0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 1gks h ASP 66 CO 0.01 -0.39 -0.44 -0.07 -1.72 0.00 0.00 179.24 176.63 1gks h LEU 67 N -0.58 -1.36 -0.37 1.55 3.38 -1.10 0.13 115.31 116.97 1gks h LEU 67 Ca -0.01 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1gks h LEU 67 Cb 0.53 0.54 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 1gks h LEU 67 CO -0.05 -0.45 -0.41 0.58 0.09 0.00 0.00 178.44 178.20 1gks h VAL 68 N -0.53 0.14 -0.95 1.22 2.07 -0.35 0.21 116.25 118.06 1gks h VAL 68 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1gks h VAL 68 Cb 0.65 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1gks h VAL 68 CO -0.38 0.00 0.62 0.11 0.02 0.00 0.00 177.57 177.94 1gks h LYS 69 N -0.34 1.10 -0.09 1.57 1.79 -0.63 0.11 116.57 120.09 1gks h LYS 69 Ca 0.13 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1gks h LYS 69 Cb 0.58 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1gks h LYS 69 CO -0.54 0.73 -0.05 0.00 -1.08 0.00 0.00 179.45 178.50 1gks h ALA 70 N 1.47 0.12 -0.32 3.86 0.00 0.06 -3.08 119.26 121.37 1gks h ALA 70 Ca 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gks h ALA 70 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1gks h ALA 70 CO -0.14 -0.10 0.18 0.82 0.00 0.00 0.00 179.25 180.01 1gks h ILE 71 N -0.20 1.13 -0.94 0.00 2.04 -0.05 0.34 117.51 119.83 1gks h ILE 71 Ca 0.02 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1gks h ILE 71 Cb 0.51 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1gks h ILE 71 CO 0.01 0.13 0.60 1.05 0.00 0.00 0.00 178.15 179.94 1gks h GLU 72 N 0.40 1.26 0.90 2.37 4.11 -0.88 0.21 114.58 122.94 1gks h GLU 72 Ca 0.11 -0.09 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 1gks h GLU 72 Cb 0.05 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.03 1gks h GLU 72 CO -0.02 0.85 -0.43 -0.92 0.07 0.00 0.00 179.01 178.56 1gks h TYR 73 N 1.29 -1.12 -0.45 2.06 3.20 -1.35 -2.58 116.97 118.02 1gks h TYR 73 Ca 0.34 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.23 1gks h TYR 73 Cb -0.11 0.37 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 1gks h TYR 73 CO 0.00 -0.69 -0.31 0.52 -1.64 0.00 0.00 178.16 176.04 1gks h MET 74 N -1.28 -0.05 -1.27 1.82 2.86 -0.54 -0.50 114.93 115.97 1gks h MET 74 Ca -0.12 0.00 0.37 0.00 -2.06 0.00 0.00 59.70 57.89 1gks h MET 74 Cb 0.93 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.53 1gks h MET 74 CO 0.20 -0.03 0.89 -0.07 1.06 0.00 0.00 176.91 178.96 1gks h LEU 75 N -0.05 0.12 0.00 1.22 3.38 0.82 0.54 115.31 121.34 1gks h LEU 75 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gks h LEU 75 Cb 0.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1gks h LEU 75 CO -0.45 -0.00 0.00 -1.20 0.09 0.00 0.00 178.44 176.87 1gks n SER 76 N -4.30 0.00 -0.68 -0.43 7.64 -0.20 -1.21 113.62 114.44 1gks n SER 76 Ca 0.29 0.12 -0.01 0.00 1.01 0.00 0.00 58.87 60.28 1gks n SER 76 Cb 1.29 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 64.23 1gks n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1gks n THR 77 N -1.24 0.00 -0.69 0.44 -2.24 0.15 -5.07 114.28 105.62 1gks n THR 77 Ca 0.04 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1gks n THR 77 Cb 0.05 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68