#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 1.70 0.68 0.44 0.00 -1.88 0.13 103.07 104.14 1gks h GLY 2 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1gks h GLY 2 CO 0.00 -0.37 -0.20 0.83 0.00 0.00 0.00 176.54 176.80 1gks h GLU 3 N 0.32 -0.55 -0.34 4.80 3.07 -1.91 0.11 114.58 120.08 1gks h GLU 3 Ca 0.71 0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.68 1gks h GLU 3 Cb 1.78 0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 29.74 1gks h GLU 3 CO -0.48 -0.24 -0.18 0.77 -1.40 0.00 0.00 179.01 177.48 1gks h SER 4 N -0.90 -0.60 0.47 1.42 0.02 -1.46 0.88 113.55 113.38 1gks h SER 4 Ca -0.06 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1gks h SER 4 Cb 0.56 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1gks h SER 4 CO 0.10 -0.21 -0.41 0.40 -1.14 0.00 0.00 176.83 175.56 1gks h ILE 5 N -0.13 0.17 0.08 3.27 2.04 -0.83 0.94 117.51 123.05 1gks h ILE 5 Ca 0.17 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1gks h ILE 5 Cb 0.39 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1gks h ILE 5 CO -0.42 0.00 -0.13 0.22 0.00 0.00 0.00 178.15 177.82 1gks h TYR 6 N -0.88 -0.34 -0.10 1.37 5.03 -0.32 -0.16 116.97 121.58 1gks h TYR 6 Ca -0.05 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.20 1gks h TYR 6 Cb 0.76 0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.18 1gks h TYR 6 CO -0.20 -0.20 -0.21 0.82 -1.32 0.00 0.00 178.16 177.05 1gks h ILE 7 N -0.26 1.39 -0.07 1.81 2.04 -0.79 -2.44 117.51 119.20 1gks h ILE 7 Ca 0.02 -1.51 -0.18 0.00 1.00 0.00 0.00 64.86 64.20 1gks h ILE 7 Cb 0.28 2.12 -0.19 0.00 -0.74 0.00 0.00 36.82 38.29 1gks h ILE 7 CO -0.08 0.43 -0.42 -3.20 0.00 0.00 0.00 178.15 174.89 1gks n ASN 8 N -4.51 -0.91 -2.79 1.72 2.85 0.20 -4.53 115.26 107.28 1gks n ASN 8 Ca -0.07 -2.16 -0.01 0.00 -0.11 0.00 0.00 54.58 52.23 1gks n ASN 8 Cb 0.42 0.45 0.07 0.00 1.24 0.00 0.00 39.78 41.97 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gks n GLY 9 N -1.22 1.85 3.11 8.20 0.00 -0.10 -4.86 105.19 112.17 1gks n GLY 9 Ca -0.15 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.66 0.49 -0.22 2.61 -4.23 -1.05 -4.56 115.64 106.02 1gks s THR 10 Ca 0.22 -1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1gks s THR 10 Cb 0.36 -1.28 0.08 0.00 1.34 0.00 0.00 72.50 73.00 1gks s THR 10 CO -0.06 -0.76 0.14 0.00 -0.54 0.00 0.00 174.62 173.39 1gks s ALA 11 N -3.02 0.27 0.71 3.99 0.00 -1.26 -2.61 121.76 119.84 1gks s ALA 11 Ca 0.03 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 1gks s ALA 11 Cb 0.01 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 1gks s ALA 11 CO -0.05 -1.34 0.93 -2.30 0.00 0.00 0.00 175.76 173.00 1gks n PRO 12 N 5.28 0.53 -1.85 0.00 -0.02 -1.26 -4.75 135.00 132.93 1gks n PRO 12 Ca -0.06 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1gks n PRO 12 Cb 0.47 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.79 2.98 0.15 3.45 -4.23 -1.07 -4.90 115.64 110.22 1gks s THR 13 Ca 0.73 0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 61.39 1gks s THR 13 Cb -0.35 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.31 1gks s THR 13 CO 0.51 -0.01 1.66 0.00 -0.54 0.00 0.00 174.62 176.24 1gks h SER 15 N -0.09 -1.43 -1.10 0.00 4.64 -1.67 -1.41 113.55 112.48 1gks h SER 15 Ca 0.15 0.30 0.40 0.00 -0.47 0.00 0.00 61.79 62.17 1gks h SER 15 Cb 0.31 0.74 -0.16 0.00 -0.31 0.00 0.00 62.40 62.99 1gks h SER 15 CO -0.35 -0.29 0.65 0.28 -0.87 0.00 0.00 176.83 176.25 1gks h SER 16 N -0.03 0.35 0.00 4.97 0.02 -1.78 0.17 113.55 117.25 1gks h SER 16 Ca 0.32 0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 61.35 1gks h SER 16 Cb 0.58 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1gks h SER 16 CO -0.94 -0.28 -1.33 0.00 -1.14 0.00 0.00 176.83 173.14 1gks h HIS 18 N -1.00 0.00 0.19 0.00 3.86 -1.18 0.24 115.15 117.26 1gks h HIS 18 Ca -0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1gks h HIS 18 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 1gks h HIS 18 CO -0.30 0.00 -0.09 0.22 0.86 0.00 0.00 177.93 178.62 1gks h ASP 19 N 0.00 -0.22 0.92 2.45 3.58 -0.85 -3.31 116.42 118.99 1gks h ASP 19 Ca 0.00 -0.29 -0.22 0.00 0.42 0.00 0.00 57.03 56.93 1gks h ASP 19 Cb 0.67 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 1gks h ASP 19 CO 0.00 0.23 -1.05 0.03 -2.88 0.00 0.00 179.24 175.56 1gks h ARG 20 N -0.73 0.06 -0.74 0.28 -0.00 -1.72 -3.44 114.38 108.10 1gks h ARG 20 Ca -0.03 -0.11 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1gks h ARG 20 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.51 1gks h ARG 20 CO 0.04 1.05 0.00 0.41 0.00 0.00 0.00 179.97 181.47 1gks n GLY 21 N 1.39 0.83 3.77 0.04 0.00 0.70 -5.00 105.19 106.92 1gks n GLY 21 Ca -0.02 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.45 2.03 -1.15 1.61 0.11 -0.36 -1.37 120.40 118.82 1gks s VAL 22 Ca 0.00 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1gks s VAL 22 Cb 0.00 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 1gks s VAL 22 CO 0.00 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1gks n ALA 23 N -0.22 -0.69 -1.79 1.54 0.00 -1.26 -0.79 120.51 117.31 1gks n ALA 23 Ca 0.05 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 1gks n ALA 23 Cb 0.42 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.74 0.43 3.73 0.00 0.00 -0.47 -4.96 105.19 103.17 1gks n GLY 24 Ca -0.15 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.37 2.42 -1.77 4.61 0.00 0.03 -4.87 120.51 120.56 1gks n ALA 25 Ca -0.09 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1gks n ALA 25 Cb 0.46 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.20 3.75 0.86 0.00 0.04 -1.26 -4.45 135.00 133.74 1gks s PRO 26 Ca 0.67 2.19 -0.08 0.00 0.04 0.00 0.00 61.00 63.81 1gks s PRO 26 Cb -0.52 -4.19 0.18 0.00 0.04 0.00 0.00 34.50 30.01 1gks s PRO 26 CO 0.46 -1.39 1.18 -1.21 0.04 0.00 0.00 177.00 176.08 1gks s GLU 27 N 5.07 1.02 0.84 4.56 8.01 -1.26 -4.89 118.70 132.06 1gks s GLU 27 Ca 0.87 -0.85 -0.10 0.00 0.01 0.00 0.00 54.97 54.90 1gks s GLU 27 Cb -0.35 -2.08 0.10 0.00 -4.31 0.00 0.00 34.13 27.49 1gks s GLU 27 CO 0.36 -2.02 1.12 -0.51 0.01 0.00 0.00 175.26 174.22 1gks s LEU 28 N -5.55 2.95 -1.08 1.80 2.01 -1.25 -3.89 118.68 113.67 1gks s LEU 28 Ca 0.72 2.01 -0.06 0.00 0.01 0.00 0.00 54.13 56.80 1gks s LEU 28 Cb -0.04 -4.54 0.01 0.00 0.01 0.00 0.00 46.19 41.63 1gks s LEU 28 CO 0.49 -2.55 0.12 -0.46 1.01 0.00 0.00 176.35 174.96 1gks n ASN 29 N -3.86 -0.18 -3.17 2.29 6.94 -1.24 -4.88 115.26 111.16 1gks n ASN 29 Ca 0.10 -0.94 -0.20 0.00 -0.02 0.00 0.00 54.58 53.52 1gks n ASN 29 Cb 0.53 -1.16 -0.04 0.00 -2.36 0.00 0.00 39.78 36.75 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gks n ALA 30 N -3.71 2.35 -0.33 -2.53 0.00 -1.25 -4.95 120.51 110.08 1gks n ALA 30 Ca -0.20 -3.54 0.12 0.00 0.00 0.00 0.00 53.44 49.82 1gks n ALA 30 Cb 0.49 -0.89 0.26 0.00 0.00 0.00 0.00 19.45 19.31 1gks n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1gks h PRO 31 N 3.20 0.04 -1.00 0.00 0.11 -1.90 0.76 132.00 133.20 1gks h PRO 31 Ca 0.10 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.42 1gks h PRO 31 Cb 0.91 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 31.89 1gks h PRO 31 CO 0.53 0.02 0.60 0.93 -0.21 0.00 0.00 178.00 179.88 1gks h GLU 32 N 0.04 0.66 0.00 1.05 3.07 -1.99 0.24 114.58 117.65 1gks h GLU 32 Ca 0.56 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1gks h GLU 32 Cb 1.11 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1gks h GLU 32 CO -0.87 0.43 0.00 -0.44 -1.40 0.00 0.00 179.01 176.74 1gks h ASP 33 N 0.68 0.00 0.00 1.42 5.19 -1.23 -3.23 116.42 119.24 1gks h ASP 33 Ca 0.61 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.93 1gks h ASP 33 Cb 1.06 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1gks h ASP 33 CO -0.43 0.00 -1.55 0.79 -3.12 0.00 0.00 179.24 174.93 1gks n TRP 34 N -2.37 0.00 -0.28 4.55 7.02 0.28 -4.75 117.44 121.89 1gks n TRP 34 Ca 0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.63 1gks n TRP 34 Cb 0.30 -0.35 0.25 0.00 -2.42 0.00 0.00 31.31 29.08 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 -2.12 0.43 1.04 6.99 0.00 0.59 -0.49 120.51 126.94 1gks n ALA 35 Ca -0.09 0.86 0.11 0.00 0.00 0.00 0.00 53.44 54.32 1gks n ALA 35 Cb 0.56 -0.64 0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -5.12 1.73 -4.85 0.00 9.92 -1.26 -4.97 116.55 112.00 1gks n ASP 36 Ca 0.19 -1.34 -0.32 0.00 -0.53 0.00 0.00 54.79 52.80 1gks n ASP 36 Cb 0.64 0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 41.58 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 -2.56 3.88 -0.28 -1.24 0.52 0.35 -4.96 118.95 114.67 1gks s ARG 37 Ca 0.18 0.82 -0.37 0.00 -0.52 0.00 0.00 55.73 55.84 1gks s ARG 37 Cb 0.18 -2.19 -0.13 0.00 0.52 0.00 0.00 34.95 33.33 1gks s ARG 37 CO 0.60 -0.24 1.97 -2.30 0.02 0.00 0.00 175.30 175.36 1gks n PRO 38 N -1.60 1.30 0.01 3.54 -0.02 -1.26 -4.84 135.00 132.13 1gks n PRO 38 Ca 0.06 0.43 0.03 0.00 -2.02 0.00 0.00 63.50 62.00 1gks n PRO 38 Cb 0.54 -2.35 0.41 0.00 -0.02 0.00 0.00 33.50 32.07 1gks n PRO 38 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1gks h SER 39 N 9.85 0.46 -1.55 2.55 0.02 -1.93 -3.41 113.55 119.55 1gks h SER 39 Ca -0.38 -0.02 -0.46 0.00 -0.84 0.00 0.00 61.79 60.09 1gks h SER 39 Cb 1.31 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.74 1gks h SER 39 CO 0.99 0.37 1.64 -1.20 -1.14 0.00 0.00 176.83 177.49 1gks n SER 40 N -4.44 2.24 -0.31 3.07 7.64 -1.26 -4.84 113.62 115.71 1gks n SER 40 Ca 0.03 -0.50 0.12 0.00 1.01 0.00 0.00 58.87 59.52 1gks n SER 40 Cb 0.09 -1.57 0.34 0.00 -1.01 0.00 0.00 64.21 62.06 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 7.72 0.81 -0.23 0.44 2.07 -1.99 0.16 116.25 125.23 1gks h VAL 41 Ca -0.23 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1gks h VAL 41 Cb 1.27 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1gks h VAL 41 CO 1.17 0.14 0.24 -2.24 0.02 0.00 0.00 177.57 176.89 1gks h ASP 42 N 0.77 0.00 0.00 0.57 2.03 -1.95 0.55 116.42 118.38 1gks h ASP 42 Ca 0.50 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.58 1gks h ASP 42 Cb 0.74 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.21 1gks h ASP 42 CO -0.26 0.00 -1.23 -0.62 -1.03 0.00 0.00 179.24 176.10 1gks n GLU 43 N -3.87 0.56 -0.33 4.15 1.02 0.46 -4.22 120.64 118.41 1gks n GLU 43 Ca 0.03 0.57 0.15 0.00 -0.02 0.00 0.00 57.16 57.88 1gks n GLU 43 Cb 0.37 -1.74 0.34 0.00 -0.02 0.00 0.00 31.44 30.39 1gks n GLU 43 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1gks h LEU 44 N -1.00 0.58 -1.68 -4.62 3.38 -0.78 0.20 115.31 111.39 1gks h LEU 44 Ca -0.33 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1gks h LEU 44 Cb 1.25 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1gks h LEU 44 CO -0.20 0.10 -0.12 1.62 0.09 0.00 0.00 178.44 179.93 1gks h VAL 45 N 0.56 1.11 -0.03 1.22 3.04 -1.10 -0.07 116.25 120.98 1gks h VAL 45 Ca 0.60 -0.50 -0.00 0.00 -1.01 0.00 0.00 66.70 65.78 1gks h VAL 45 Cb 1.09 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1gks h VAL 45 CO -0.47 0.15 0.00 -0.33 -1.01 0.00 0.00 177.57 175.91 1gks h GLU 46 N 0.05 0.04 -0.66 4.17 5.08 -0.77 0.17 114.58 122.67 1gks h GLU 46 Ca 0.01 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1gks h GLU 46 Cb 0.25 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1gks h GLU 46 CO 0.02 0.29 0.16 0.77 -1.00 0.00 0.00 179.01 179.25 1gks h SER 47 N -0.21 0.03 0.19 1.42 0.02 -1.22 0.61 113.55 114.38 1gks h SER 47 Ca 0.01 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1gks h SER 47 Cb 0.27 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1gks h SER 47 CO 0.00 0.00 -0.09 0.74 -1.14 0.00 0.00 176.83 176.34 1gks h THR 48 N 0.28 0.83 -0.40 -2.27 2.02 -0.66 0.25 112.91 112.96 1gks h THR 48 Ca 0.35 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 1gks h THR 48 Cb 0.55 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1gks h THR 48 CO -0.44 0.02 0.20 -0.07 0.37 0.00 0.00 175.52 175.60 1gks h LEU 49 N -0.29 0.51 -0.50 2.58 3.38 0.06 -2.88 115.31 118.18 1gks h LEU 49 Ca -0.03 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 1gks h LEU 49 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1gks h LEU 49 CO 0.04 0.48 -0.72 0.00 0.09 0.00 0.00 178.44 178.33 1gks h ALA 50 N 1.06 0.72 0.00 1.53 0.00 -0.87 0.29 119.26 121.98 1gks h ALA 50 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gks h ALA 50 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1gks h ALA 50 CO -0.02 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1gks n GLY 51 N 0.54 2.19 3.38 0.00 0.00 0.86 -4.05 105.19 108.11 1gks n GLY 51 Ca -0.03 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.90 0.56 7.25 1.61 2.20 0.07 -4.76 119.74 123.77 1gks s LYS 52 Ca 0.00 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1gks s LYS 52 Cb 0.00 0.67 0.00 0.00 -1.51 0.00 0.00 37.83 36.99 1gks s LYS 52 CO 0.00 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1gks n GLY 53 N 5.44 3.44 0.18 5.54 0.00 -1.26 -0.46 105.19 118.07 1gks n GLY 53 Ca -0.07 0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.98 0.88 -2.31 4.61 0.00 -1.98 -3.44 119.26 116.04 1gks h ALA 54 Ca 0.00 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 54.05 1gks h ALA 54 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gks h ALA 54 CO 0.00 0.44 1.07 1.41 0.00 0.00 0.00 179.25 182.16 1gks s MET 55 N -3.36 4.19 0.78 0.00 0.00 0.40 -4.99 119.30 116.32 1gks s MET 55 Ca 0.02 2.23 -0.12 0.00 0.00 0.00 0.00 55.69 57.82 1gks s MET 55 Cb 0.09 -3.91 0.06 0.00 0.00 0.00 0.00 34.83 31.08 1gks s MET 55 CO 0.69 -0.82 1.10 -1.25 0.00 0.00 0.00 175.02 174.75 1gks s PRO 56 N 3.73 2.20 0.19 4.11 0.04 -1.26 -0.75 135.00 143.26 1gks s PRO 56 Ca 0.74 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1gks s PRO 56 Cb -0.35 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1gks s PRO 56 CO 0.31 -1.52 1.31 0.00 0.04 0.00 0.00 177.00 177.14 1gks s ALA 57 N -3.23 3.52 -0.56 8.56 0.00 -1.26 -4.07 121.76 124.73 1gks s ALA 57 Ca 0.60 1.10 0.22 0.00 0.00 0.00 0.00 51.96 53.88 1gks s ALA 57 Cb -0.13 -3.48 -0.16 0.00 0.00 0.00 0.00 23.12 19.34 1gks s ALA 57 CO 0.53 -0.53 0.82 0.66 0.00 0.00 0.00 175.76 177.24 1gks n TYR 58 N 2.74 0.10 -1.51 0.00 4.01 0.89 -4.87 117.16 118.53 1gks n TYR 58 Ca 0.06 0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.43 1gks n TYR 58 Cb 0.43 -0.32 -0.10 0.00 -0.31 0.00 0.00 39.34 39.04 1gks n TYR 58 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1gks n ASP 59 N -1.91 1.14 0.00 7.72 2.03 -0.43 -0.17 116.55 124.93 1gks n ASP 59 Ca 0.01 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1gks n ASP 59 Cb 0.44 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 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 6.36 2.65 0.15 0.27 0.00 -1.26 -4.87 105.19 108.49 1gks n GLY 60 Ca 0.54 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.43 -5.60 1.61 3.08 -0.90 -3.45 114.38 109.56 1gks h ARG 61 Ca 0.00 -0.52 -0.46 0.00 0.07 0.00 0.00 59.98 59.06 1gks h ARG 61 Cb 0.00 0.16 -0.22 0.00 0.08 0.00 0.00 29.97 29.99 1gks h ARG 61 CO 0.00 1.18 -0.80 0.00 -1.07 0.00 0.00 179.97 179.29 1gks s ALA 62 N -3.10 1.37 -0.12 0.04 0.00 -0.39 -4.72 121.76 114.84 1gks s ALA 62 Ca -0.06 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 1gks s ALA 62 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1gks s ALA 62 CO 0.88 0.24 0.46 0.34 0.00 0.00 0.00 175.76 177.68 1gks s ASP 63 N -1.67 6.67 0.19 0.00 -1.08 -1.26 -4.56 116.67 114.96 1gks s ASP 63 Ca 0.01 0.79 0.05 0.00 -0.52 0.00 0.00 52.55 52.88 1gks s ASP 63 Cb -0.10 -2.28 0.56 0.00 -1.46 0.00 0.00 42.92 39.65 1gks s ASP 63 CO 0.03 0.02 0.92 -1.14 0.52 0.00 0.00 175.17 175.52 1gks n ARG 64 N 3.58 -0.04 -0.01 4.34 0.63 -1.26 -0.14 116.66 123.76 1gks n ARG 64 Ca -0.08 0.85 -0.12 0.00 -0.92 0.00 0.00 57.85 57.59 1gks n ARG 64 Cb 0.52 -1.41 -0.07 0.00 0.45 0.00 0.00 32.46 31.95 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 0.12 -0.17 -0.14 4.22 -1.99 0.18 114.58 116.80 1gks h GLU 65 Ca 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.81 1gks h GLU 65 Cb 0.93 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1gks h GLU 65 CO -0.52 0.26 0.08 -0.44 -2.18 0.00 0.00 179.01 176.21 1gks h ASP 66 N -0.03 0.23 -0.05 1.04 5.19 -0.94 -2.02 116.42 119.84 1gks h ASP 66 Ca 0.03 -0.14 0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1gks h ASP 66 Cb 0.18 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.57 1gks h ASP 66 CO -0.00 0.31 -0.36 -0.07 -3.12 0.00 0.00 179.24 176.00 1gks h LEU 67 N 0.14 -1.08 -0.53 1.55 3.38 -0.91 -0.27 115.31 117.59 1gks h LEU 67 Ca 0.06 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1gks h LEU 67 Cb 0.14 0.44 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 1gks h LEU 67 CO -0.01 -0.40 -0.48 0.58 0.09 0.00 0.00 178.44 178.22 1gks h VAL 68 N -0.48 0.06 -1.00 1.22 2.07 -0.45 0.28 116.25 117.95 1gks h VAL 68 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1gks h VAL 68 Cb 0.59 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1gks h VAL 68 CO -0.32 0.00 0.64 0.11 0.02 0.00 0.00 177.57 178.02 1gks h LYS 69 N -0.28 1.07 -0.62 1.57 1.57 -0.94 0.13 116.57 119.08 1gks h LYS 69 Ca 0.14 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1gks h LYS 69 Cb 0.57 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1gks h LYS 69 CO -0.66 0.71 0.10 0.00 -0.57 0.00 0.00 179.45 179.02 1gks h ALA 70 N 1.49 0.82 -0.16 3.86 0.00 0.89 -0.01 119.26 126.15 1gks h ALA 70 Ca 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1gks h ALA 70 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1gks h ALA 70 CO -0.20 0.57 0.04 0.82 0.00 0.00 0.00 179.25 180.48 1gks h ILE 71 N 0.93 1.21 -0.16 0.00 2.04 0.30 0.87 117.51 122.70 1gks h ILE 71 Ca 0.19 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1gks h ILE 71 Cb 0.43 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1gks h ILE 71 CO 0.01 0.20 -0.19 -0.33 0.00 0.00 0.00 178.15 177.84 1gks h GLU 72 N 0.06 -0.22 -0.11 2.37 4.39 -0.55 0.12 114.58 120.64 1gks h GLU 72 Ca 0.05 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.80 1gks h GLU 72 Cb 0.27 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1gks h GLU 72 CO 0.00 -0.15 -0.16 -0.92 -1.16 0.00 0.00 179.01 176.62 1gks h TYR 73 N -0.23 -0.42 -0.30 4.33 3.20 -0.79 0.18 116.97 122.94 1gks h TYR 73 Ca 0.11 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.06 1gks h TYR 73 Cb 0.39 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1gks h TYR 73 CO -0.31 -0.24 -0.11 1.98 -1.64 0.00 0.00 178.16 177.84 1gks h MET 74 N -0.21 -0.05 -0.01 1.82 4.05 -0.24 -0.66 114.93 119.63 1gks h MET 74 Ca 0.09 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1gks h MET 74 Cb 0.34 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1gks h MET 74 CO -0.24 -0.03 -0.20 -0.07 0.23 0.00 0.00 176.91 176.60 1gks h LEU 75 N -0.05 0.01 -3.35 3.39 3.38 -0.31 -3.17 115.31 115.22 1gks h LEU 75 Ca 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1gks h LEU 75 Cb 0.28 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1gks h LEU 75 CO -0.34 0.22 -0.01 -1.20 0.09 0.00 0.00 178.44 177.20 1gks n SER 76 N -4.29 3.81 0.00 -0.43 7.64 0.60 -1.81 113.62 119.14 1gks n SER 76 Ca -0.02 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.84 1gks n SER 76 Cb 0.27 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 1.70 0.00 1.96 0.44 -2.24 -1.20 -5.00 114.28 109.94 1gks n THR 77 Ca 0.02 -0.10 0.16 0.00 -2.27 0.00 0.00 64.05 61.85 1gks n THR 77 Cb 0.37 0.92 0.93 0.00 -2.10 0.00 0.00 70.33 70.45 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68