#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 1.85 0.91 0.27 0.00 -1.94 0.28 103.07 104.43 1gks h GLY 2 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1gks h GLY 2 CO 0.00 -0.22 -0.25 -2.09 0.00 0.00 0.00 176.54 173.98 1gks h GLU 3 N 0.58 -0.61 -0.42 4.80 4.81 -1.91 0.63 114.58 122.46 1gks h GLU 3 Ca 0.62 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.98 1gks h GLU 3 Cb 1.16 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 1gks h GLU 3 CO -0.47 -0.41 -0.05 0.77 -0.73 0.00 0.00 179.01 178.12 1gks h SER 4 N -0.63 -0.28 0.47 1.04 0.02 -1.57 0.11 113.55 112.71 1gks h SER 4 Ca -0.05 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1gks h SER 4 Cb 0.51 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1gks h SER 4 CO 0.06 -0.10 -0.42 0.40 -1.14 0.00 0.00 176.83 175.62 1gks h ILE 5 N 0.05 0.15 -0.32 3.27 2.04 -0.82 0.83 117.51 122.70 1gks h ILE 5 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.13 1gks h ILE 5 Cb 0.31 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 1gks h ILE 5 CO -0.39 0.00 -0.10 0.22 0.00 0.00 0.00 178.15 177.88 1gks h TYR 6 N -0.89 -0.21 -0.08 1.37 5.03 -0.39 -0.44 116.97 121.35 1gks h TYR 6 Ca -0.05 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 1gks h TYR 6 Cb 0.78 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.20 1gks h TYR 6 CO -0.21 -0.16 -0.06 0.82 -1.32 0.00 0.00 178.16 177.23 1gks h ILE 7 N -0.02 1.35 0.00 1.81 2.04 -0.62 -2.89 117.51 119.18 1gks h ILE 7 Ca 0.16 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1gks h ILE 7 Cb 0.26 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1gks h ILE 7 CO -0.35 0.33 0.00 -0.46 0.00 0.00 0.00 178.15 177.67 1gks n ASN 8 N -4.71 0.00 -2.12 1.72 0.23 0.08 -4.52 115.26 105.93 1gks n ASN 8 Ca -0.07 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.72 1gks n ASN 8 Cb 0.29 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.06 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gks n GLY 9 N 0.00 4.99 3.10 4.83 0.00 -0.01 -4.87 105.19 113.23 1gks n GLY 9 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.62 0.57 -0.19 2.61 -4.23 -1.08 -4.67 115.64 105.02 1gks s THR 10 Ca 0.50 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1gks s THR 10 Cb 0.39 -1.00 0.07 0.00 1.34 0.00 0.00 72.50 73.30 1gks s THR 10 CO 0.00 -0.57 0.08 0.00 -0.54 0.00 0.00 174.62 173.59 1gks s ALA 11 N -2.24 0.66 0.91 3.99 0.00 -1.26 -2.72 121.76 121.10 1gks s ALA 11 Ca -0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 1gks s ALA 11 Cb -0.04 -1.13 0.10 0.00 0.00 0.00 0.00 23.12 22.04 1gks s ALA 11 CO -0.02 -1.24 0.87 -2.30 0.00 0.00 0.00 175.76 173.08 1gks n PRO 12 N 5.19 -0.30 -2.17 0.00 -0.02 -1.26 -4.93 135.00 131.52 1gks n PRO 12 Ca -0.07 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 60.96 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 -2.47 3.71 0.18 3.45 -4.23 -1.10 -4.92 115.64 110.26 1gks s THR 13 Ca 0.64 1.00 -0.14 0.00 -1.18 0.00 0.00 61.69 62.01 1gks s THR 13 Cb -0.24 -3.64 0.08 0.00 1.34 0.00 0.00 72.50 70.04 1gks s THR 13 CO 0.60 -0.04 1.73 0.00 -0.54 0.00 0.00 174.62 176.37 1gks h SER 15 N 0.25 -1.17 -0.55 0.00 4.64 -1.74 -0.16 113.55 114.82 1gks h SER 15 Ca 0.22 0.29 0.16 0.00 -0.47 0.00 0.00 61.79 61.98 1gks h SER 15 Cb 0.26 0.66 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1gks h SER 15 CO -0.27 -0.30 0.70 0.28 -0.87 0.00 0.00 176.83 176.37 1gks h SER 16 N -0.03 0.00 0.00 4.97 0.02 -1.79 0.11 113.55 116.83 1gks h SER 16 Ca 0.37 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.17 1gks h SER 16 Cb 0.62 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1gks h SER 16 CO -0.93 0.00 -1.32 0.00 -1.14 0.00 0.00 176.83 173.44 1gks h HIS 18 N -0.55 0.00 0.77 0.00 3.86 -0.91 0.16 115.15 118.48 1gks h HIS 18 Ca -0.23 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.94 1gks h HIS 18 Cb 1.02 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.49 1gks h HIS 18 CO -0.13 0.08 -0.37 0.22 0.86 0.00 0.00 177.93 178.60 1gks h ASP 19 N 0.00 -0.88 1.21 2.45 3.58 -1.00 -3.23 116.42 118.55 1gks h ASP 19 Ca -0.00 0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.32 1gks h ASP 19 Cb 0.56 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 1gks h ASP 19 CO 0.01 -0.59 -0.82 0.08 -2.88 0.00 0.00 179.24 175.04 1gks h ARG 20 N -1.10 0.00 -0.95 0.28 -0.00 -1.77 -3.45 114.38 107.39 1gks h ARG 20 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.87 1gks h ARG 20 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.77 1gks h ARG 20 CO 0.17 0.55 0.00 0.41 -0.00 0.00 0.00 179.97 181.11 1gks n GLY 21 N 1.29 0.78 3.76 0.08 0.00 0.42 -4.99 105.19 106.53 1gks n GLY 21 Ca -0.01 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.57 2.04 -1.13 1.61 0.11 -0.35 -1.57 120.40 118.54 1gks s VAL 22 Ca 0.00 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1gks s VAL 22 Cb 0.00 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 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 -0.58 -0.75 -1.43 1.54 0.00 -1.26 -0.81 120.51 117.21 1gks n ALA 23 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1gks n ALA 23 Cb 0.43 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.81 0.76 3.73 0.00 0.00 -0.61 -4.84 105.19 103.42 1gks n GLY 24 Ca -0.16 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 0.57 2.68 -1.76 4.61 0.00 0.01 -4.87 120.51 121.75 1gks n ALA 25 Ca -0.08 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1gks n ALA 25 Cb 0.32 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 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 0.30 4.06 0.91 0.00 0.04 -1.26 -4.35 135.00 134.69 1gks s PRO 26 Ca 0.69 2.43 -0.13 0.00 0.04 0.00 0.00 61.00 64.04 1gks s PRO 26 Cb -0.50 -4.13 0.18 0.00 0.04 0.00 0.00 34.50 30.09 1gks s PRO 26 CO 0.41 -1.03 1.25 -1.21 0.04 0.00 0.00 177.00 176.45 1gks s GLU 27 N 4.52 0.89 0.52 4.56 8.01 -1.26 -4.88 118.70 131.06 1gks s GLU 27 Ca 0.85 -0.55 -0.11 0.00 0.01 0.00 0.00 54.97 55.17 1gks s GLU 27 Cb -0.39 -1.95 -0.05 0.00 -4.31 0.00 0.00 34.13 27.42 1gks s GLU 27 CO 0.38 -2.19 0.91 -0.51 0.01 0.00 0.00 175.26 173.85 1gks s LEU 28 N -5.73 3.54 -1.58 1.80 1.43 -1.26 -3.89 118.68 113.00 1gks s LEU 28 Ca 0.72 1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 1gks s LEU 28 Cb -0.04 -4.25 0.10 0.00 0.03 0.00 0.00 46.19 42.03 1gks s LEU 28 CO 0.51 -0.63 0.85 0.59 0.23 0.00 0.00 176.35 177.90 1gks n ASN 29 N -2.04 -3.68 -2.76 2.29 5.03 0.53 -4.90 115.26 109.73 1gks n ASN 29 Ca 0.04 -0.89 -0.16 0.00 0.87 0.00 0.00 54.58 54.44 1gks n ASN 29 Cb 0.54 -3.40 0.01 0.00 -1.02 0.00 0.00 39.78 35.91 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gks n ALA 30 N -4.53 3.56 -0.34 5.41 0.00 -1.25 -4.97 120.51 118.39 1gks n ALA 30 Ca 0.01 -3.56 0.21 0.00 0.00 0.00 0.00 53.44 50.10 1gks n ALA 30 Cb 0.53 -0.84 0.44 0.00 0.00 0.00 0.00 19.45 19.58 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 2.91 0.44 -0.97 0.00 0.13 -1.88 0.13 132.00 132.76 1gks h PRO 31 Ca 0.04 -0.03 0.21 0.00 -0.87 0.00 0.00 66.00 65.36 1gks h PRO 31 Cb 1.03 -0.10 -0.12 0.00 0.13 0.00 0.00 31.00 31.94 1gks h PRO 31 CO 0.60 0.29 0.56 0.93 -0.23 0.00 0.00 178.00 180.15 1gks h GLU 32 N 0.45 0.60 0.00 0.86 3.07 -1.96 0.24 114.58 117.85 1gks h GLU 32 Ca 0.68 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.39 1gks h GLU 32 Cb 1.46 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.22 1gks h GLU 32 CO -0.51 0.40 -0.53 0.22 -1.40 0.00 0.00 179.01 177.19 1gks h ASP 33 N 0.62 0.00 0.63 1.42 1.82 -1.13 -3.26 116.42 116.53 1gks h ASP 33 Ca 0.59 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 57.02 1gks h ASP 33 Cb 1.04 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.02 1gks h ASP 33 CO -0.44 0.53 -1.51 0.79 -1.61 0.00 0.00 179.24 177.00 1gks n TRP 34 N -3.53 1.00 -0.29 0.28 7.02 0.19 -4.46 117.44 117.66 1gks n TRP 34 Ca -0.00 0.34 0.04 0.00 -1.02 0.00 0.00 57.50 56.86 1gks n TRP 34 Cb 0.62 -1.13 0.10 0.00 -2.42 0.00 0.00 31.31 28.49 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 -2.45 0.15 0.17 6.99 0.00 0.62 -0.18 120.51 125.81 1gks n ALA 35 Ca -0.12 0.88 0.06 0.00 0.00 0.00 0.00 53.44 54.26 1gks n ALA 35 Cb 0.91 -0.51 0.08 0.00 0.00 0.00 0.00 19.45 19.94 1gks n ALA 35 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gks h ASP 36 N 0.00 0.00 -3.54 0.00 5.19 -1.79 -3.46 116.42 112.82 1gks h ASP 36 Ca 0.37 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 56.27 1gks h ASP 36 Cb 0.58 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.10 1gks h ASP 36 CO -0.83 0.34 0.50 -0.13 -3.12 0.00 0.00 179.24 176.00 1gks s ARG 37 N -3.06 4.56 -0.22 3.56 0.52 0.75 -4.94 118.95 120.12 1gks s ARG 37 Ca 0.05 1.77 -0.33 0.00 -0.52 0.00 0.00 55.73 56.69 1gks s ARG 37 Cb 0.07 -3.27 -0.10 0.00 0.52 0.00 0.00 34.95 32.17 1gks s ARG 37 CO 0.72 0.02 2.08 -2.30 0.02 0.00 0.00 175.30 175.83 1gks n PRO 38 N 2.43 1.72 -0.09 3.54 -0.02 -1.26 -4.83 135.00 136.48 1gks n PRO 38 Ca 0.03 0.55 0.17 0.00 -2.02 0.00 0.00 63.50 62.23 1gks n PRO 38 Cb 0.46 -2.72 0.58 0.00 -0.02 0.00 0.00 33.50 31.80 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 11.79 0.22 -1.17 2.55 0.02 -1.92 -3.41 113.55 121.62 1gks h SER 39 Ca -0.39 0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 60.07 1gks h SER 39 Cb 1.28 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1gks h SER 39 CO 0.98 0.12 1.63 -1.20 -1.14 0.00 0.00 176.83 177.22 1gks n SER 40 N -4.43 1.85 -0.33 3.07 7.64 -1.26 -4.83 113.62 115.34 1gks n SER 40 Ca 0.12 -0.19 0.21 0.00 1.01 0.00 0.00 58.87 60.02 1gks n SER 40 Cb 0.55 -1.38 0.43 0.00 -1.01 0.00 0.00 64.21 62.80 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 7.67 0.34 -1.14 0.44 2.07 -1.99 0.73 116.25 124.37 1gks h VAL 41 Ca -0.21 -0.12 0.34 0.00 0.82 0.00 0.00 66.70 67.53 1gks h VAL 41 Cb 1.28 -0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.91 1gks h VAL 41 CO 1.19 0.06 0.73 0.44 0.02 0.00 0.00 177.57 180.01 1gks h ASP 42 N 0.34 0.37 0.00 0.57 5.19 -1.94 0.12 116.42 121.08 1gks h ASP 42 Ca 0.69 0.11 -0.09 0.00 -0.62 0.00 0.00 57.03 57.12 1gks h ASP 42 Cb 1.51 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 41.07 1gks h ASP 42 CO -0.60 -0.04 -0.51 -0.33 -3.12 0.00 0.00 179.24 174.64 1gks h GLU 43 N 0.27 0.00 -0.99 3.56 5.08 -1.19 -3.36 114.58 117.95 1gks h GLU 43 Ca 0.69 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 59.22 1gks h GLU 43 Cb 1.94 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.09 1gks h GLU 43 CO -0.37 0.99 0.62 -0.07 -1.00 0.00 0.00 179.01 179.17 1gks h LEU 44 N -1.00 0.79 -1.39 1.33 3.38 -1.10 0.17 115.31 117.48 1gks h LEU 44 Ca -0.14 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1gks h LEU 44 Cb 1.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1gks h LEU 44 CO -0.09 0.34 0.40 -0.37 0.09 0.00 0.00 178.44 178.82 1gks h VAL 45 N 0.80 1.16 -0.07 1.22 -1.51 -0.98 0.59 116.25 117.47 1gks h VAL 45 Ca 0.53 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 65.69 1gks h VAL 45 Cb 0.77 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1gks h VAL 45 CO -0.31 0.16 -0.02 -0.33 -1.23 0.00 0.00 177.57 175.84 1gks h GLU 46 N 0.83 0.13 -0.66 5.19 5.08 -0.83 0.24 114.58 124.55 1gks h GLU 46 Ca 0.22 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.66 1gks h GLU 46 Cb -0.09 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.06 1gks h GLU 46 CO -0.05 0.46 0.14 0.77 -1.00 0.00 0.00 179.01 179.34 1gks h SER 47 N -0.22 -0.00 0.06 1.42 0.02 -0.97 0.42 113.55 114.28 1gks h SER 47 Ca 0.02 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1gks h SER 47 Cb 0.42 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1gks h SER 47 CO 0.01 -0.01 -0.03 0.74 -1.14 0.00 0.00 176.83 176.40 1gks h THR 48 N 0.26 1.18 -0.53 -2.27 2.02 -0.66 0.18 112.91 113.08 1gks h THR 48 Ca 0.36 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1gks h THR 48 Cb 0.56 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1gks h THR 48 CO -0.45 0.20 0.35 -0.07 0.37 0.00 0.00 175.52 175.92 1gks h LEU 49 N -0.44 0.61 -0.08 2.58 3.38 -0.02 -2.96 115.31 118.37 1gks h LEU 49 Ca -0.01 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 1gks h LEU 49 Cb 0.39 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1gks h LEU 49 CO 0.01 0.44 -1.05 0.00 0.09 0.00 0.00 178.44 177.94 1gks h ALA 50 N 1.19 0.28 0.00 1.53 0.00 -0.97 0.23 119.26 121.52 1gks h ALA 50 Ca 0.19 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1gks h ALA 50 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gks h ALA 50 CO -0.04 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1gks n GLY 51 N 1.15 2.44 3.64 0.00 0.00 0.61 -4.08 105.19 108.95 1gks n GLY 51 Ca -0.07 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.18 0.59 0.97 1.61 2.20 -0.96 -4.77 119.74 116.20 1gks s LYS 52 Ca 0.00 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1gks s LYS 52 Cb 0.00 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1gks s LYS 52 CO 0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 1gks n GLY 53 N 3.46 1.27 0.00 5.54 0.00 -1.26 -0.45 105.19 113.76 1gks n GLY 53 Ca -0.17 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1gks n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gks n ALA 54 N 2.22 0.55 -1.91 4.61 0.00 -1.26 -5.08 120.51 119.64 1gks n ALA 54 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1gks n ALA 54 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1gks n ALA 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1gks s MET 55 N -0.16 4.19 0.73 0.00 0.00 0.41 -4.98 119.30 119.49 1gks s MET 55 Ca 0.00 2.34 -0.12 0.00 0.00 0.00 0.00 55.69 57.91 1gks s MET 55 Cb 0.00 -3.69 0.04 0.00 0.00 0.00 0.00 34.83 31.17 1gks s MET 55 CO 0.00 -0.77 1.09 -1.25 0.00 0.00 0.00 175.02 174.09 1gks s PRO 56 N 2.97 2.49 0.50 4.11 0.04 -1.26 -2.25 135.00 141.59 1gks s PRO 56 Ca 0.75 1.20 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 1gks s PRO 56 Cb -0.39 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1gks s PRO 56 CO 0.33 -1.47 1.22 0.00 0.04 0.00 0.00 177.00 177.12 1gks s ALA 57 N -2.77 2.86 -0.30 8.56 0.00 -1.26 -4.32 121.76 124.53 1gks s ALA 57 Ca 0.62 1.05 0.09 0.00 0.00 0.00 0.00 51.96 53.72 1gks s ALA 57 Cb -0.18 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 1gks s ALA 57 CO 0.52 -0.92 0.32 0.66 0.00 0.00 0.00 175.76 176.34 1gks n TYR 58 N -0.81 0.00 -1.68 0.00 4.02 0.65 -4.94 117.16 114.41 1gks n TYR 58 Ca 0.09 0.00 -0.55 0.00 -0.01 0.00 0.00 57.90 57.43 1gks n TYR 58 Cb 0.48 -0.06 -0.07 0.00 -0.02 0.00 0.00 39.34 39.67 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 -1.37 2.28 0.00 7.72 2.03 -0.26 -0.80 116.55 126.15 1gks n ASP 59 Ca 0.01 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.40 1gks n ASP 59 Cb 0.16 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 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 3.74 3.11 0.11 0.27 0.00 -1.26 -4.83 105.19 106.34 1gks n GLY 60 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 1gks n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gks n ARG 61 N -0.79 0.55 -2.94 1.61 1.74 0.02 -4.91 116.66 111.95 1gks n ARG 61 Ca 0.00 0.31 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 1gks n ARG 61 Cb 0.00 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 29.88 1gks n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gks s ALA 62 N -2.66 3.44 -0.21 7.54 0.00 -0.55 -4.94 121.76 124.38 1gks s ALA 62 Ca -0.32 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1gks s ALA 62 Cb 0.09 -3.14 -0.23 0.00 0.00 0.00 0.00 23.12 19.84 1gks s ALA 62 CO 0.45 -0.46 3.32 -0.25 0.00 0.00 0.00 175.76 178.83 1gks n ASP 63 N 4.70 5.32 0.00 0.00 8.00 -1.26 -4.82 116.55 128.49 1gks n ASP 63 Ca 0.03 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.10 1gks n ASP 63 Cb 0.50 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1gks n ASP 63 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1gks n ARG 64 N 2.70 0.00 -0.27 -1.24 3.00 -1.26 -3.83 116.66 115.75 1gks n ARG 64 Ca 0.45 0.00 0.21 0.00 -0.00 0.00 0.00 57.85 58.51 1gks n ARG 64 Cb 0.76 0.00 0.53 0.00 0.00 0.00 0.00 32.46 33.76 1gks n ARG 64 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1gks h GLU 65 N 0.00 0.35 0.09 -0.14 4.57 -1.99 -0.41 114.58 117.05 1gks h GLU 65 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1gks h GLU 65 Cb 0.00 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.46 1gks h GLU 65 CO 0.00 0.23 -0.38 -0.44 -1.18 0.00 0.00 179.01 177.25 1gks h ASP 66 N 0.36 -1.11 0.32 1.04 3.32 -1.92 -0.19 116.42 118.25 1gks h ASP 66 Ca 0.51 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.67 1gks h ASP 66 Cb 1.35 0.43 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1gks h ASP 66 CO -0.19 -0.45 -0.15 -0.07 -1.72 0.00 0.00 179.24 176.65 1gks h LEU 67 N -0.59 -0.36 -0.70 1.55 3.38 -1.47 0.04 115.31 117.16 1gks h LEU 67 Ca 0.03 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1gks h LEU 67 Cb 0.63 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.37 1gks h LEU 67 CO -0.24 -0.22 -0.48 0.58 0.09 0.00 0.00 178.44 178.17 1gks h VAL 68 N -0.48 0.04 -0.59 1.22 2.07 -0.95 0.28 116.25 117.83 1gks h VAL 68 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1gks h VAL 68 Cb 0.37 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1gks h VAL 68 CO 0.07 0.00 0.36 0.11 0.02 0.00 0.00 177.57 178.14 1gks h LYS 69 N -0.17 0.80 -0.45 1.57 1.79 -0.85 -0.36 116.57 118.90 1gks h LYS 69 Ca 0.18 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1gks h LYS 69 Cb 0.54 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1gks h LYS 69 CO -0.77 0.57 0.19 0.00 -1.08 0.00 0.00 179.45 178.35 1gks h ALA 70 N 1.19 0.58 -0.02 3.86 0.00 0.26 -1.27 119.26 123.86 1gks h ALA 70 Ca 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gks h ALA 70 Cb -0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1gks h ALA 70 CO -0.04 0.17 -0.01 0.82 0.00 0.00 0.00 179.25 180.20 1gks h ILE 71 N 0.58 1.31 -0.95 0.00 2.04 -0.31 0.15 117.51 120.33 1gks h ILE 71 Ca 0.15 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1gks h ILE 71 Cb 0.18 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1gks h ILE 71 CO -0.01 0.25 0.58 1.05 0.00 0.00 0.00 178.15 180.02 1gks h GLU 72 N -0.35 1.28 0.19 2.37 4.11 -1.05 0.22 114.58 121.36 1gks h GLU 72 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1gks h GLU 72 Cb 0.41 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1gks h GLU 72 CO 0.00 0.88 -0.17 -0.92 0.07 0.00 0.00 179.01 178.88 1gks h TYR 73 N 1.30 -0.44 -0.23 2.06 3.20 -1.03 0.12 116.97 121.96 1gks h TYR 73 Ca 0.34 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.26 1gks h TYR 73 Cb -0.08 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 1gks h TYR 73 CO 0.00 -0.26 -0.49 0.52 -1.64 0.00 0.00 178.16 176.30 1gks h MET 74 N -0.38 -0.47 -1.00 1.82 2.86 -0.07 -1.25 114.93 116.45 1gks h MET 74 Ca -0.00 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1gks h MET 74 Cb 0.35 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 1gks h MET 74 CO -0.03 -0.31 0.64 -0.07 1.06 0.00 0.00 176.91 178.20 1gks h LEU 75 N -0.49 0.96 0.00 1.22 3.38 -0.80 0.74 115.31 120.32 1gks h LEU 75 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1gks h LEU 75 Cb 0.64 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1gks h LEU 75 CO -0.48 0.55 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 1gks n SER 76 N -4.57 0.00 -2.15 -0.43 7.64 0.40 -2.81 113.62 111.70 1gks n SER 76 Ca 0.18 0.20 -0.25 0.00 1.01 0.00 0.00 58.87 60.01 1gks n SER 76 Cb 0.29 -0.33 0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1gks n SER 76 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1gks n THR 77 N -1.33 2.54 1.23 0.44 -1.04 0.25 -5.07 114.28 111.30 1gks n THR 77 Ca 0.05 -4.35 0.13 0.00 -2.04 0.00 0.00 64.05 57.84 1gks n THR 77 Cb 0.09 -1.17 0.29 0.00 -1.82 0.00 0.00 70.33 67.72 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61