#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gks n GLY 2 N 0.00 -1.30 0.33 0.44 0.00 -1.26 -0.62 105.19 102.78 1gks n GLY 2 Ca 0.00 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.75 1gks n GLY 2 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gks h GLU 3 N 0.00 -0.79 -0.72 1.61 3.07 -1.90 0.11 114.58 115.96 1gks h GLU 3 Ca 0.42 0.05 0.15 0.00 -0.50 0.00 0.00 59.36 59.49 1gks h GLU 3 Cb 0.72 0.18 -0.13 0.00 -0.84 0.00 0.00 28.75 28.67 1gks h GLU 3 CO -0.82 -0.52 -0.13 0.77 -1.40 0.00 0.00 179.01 176.90 1gks h SER 4 N -0.81 -0.59 0.49 1.42 0.02 -1.41 0.15 113.55 112.81 1gks h SER 4 Ca -0.08 0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1gks h SER 4 Cb 0.63 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1gks h SER 4 CO 0.12 -0.22 -0.25 0.40 -1.14 0.00 0.00 176.83 175.74 1gks h ILE 5 N 0.02 0.49 -0.28 3.27 2.04 -0.78 0.35 117.51 122.62 1gks h ILE 5 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 1gks h ILE 5 Cb 0.57 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1gks h ILE 5 CO -0.72 0.00 0.18 0.22 0.00 0.00 0.00 178.15 177.83 1gks h TYR 6 N -0.67 0.36 -0.11 1.37 5.03 0.33 -2.18 116.97 121.11 1gks h TYR 6 Ca -0.06 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.19 1gks h TYR 6 Cb 0.52 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.68 1gks h TYR 6 CO -0.05 0.24 -0.17 0.82 -1.32 0.00 0.00 178.16 177.68 1gks h ILE 7 N 0.37 1.38 0.00 1.81 1.08 -0.66 -2.08 117.51 119.41 1gks h ILE 7 Ca 0.10 -1.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.17 1gks h ILE 7 Cb -0.02 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1gks h ILE 7 CO -0.02 0.40 0.00 -0.46 -0.69 0.00 0.00 178.15 177.38 1gks n ASN 8 N -4.56 0.00 -2.04 1.72 0.23 0.09 -4.57 115.26 106.14 1gks n ASN 8 Ca -0.07 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.75 1gks n ASN 8 Cb 0.38 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.18 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 4.51 3.10 4.83 0.00 0.99 -4.85 105.19 113.77 1gks n GLY 9 Ca 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.11 0.62 -0.20 2.61 -4.23 -1.13 -4.65 115.64 105.54 1gks s THR 10 Ca 0.46 -1.30 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1gks s THR 10 Cb 0.37 -0.90 0.07 0.00 1.34 0.00 0.00 72.50 73.38 1gks s THR 10 CO 0.03 -0.49 0.06 0.00 -0.54 0.00 0.00 174.62 173.69 1gks s ALA 11 N -1.91 0.83 0.90 3.99 0.00 -1.26 -2.58 121.76 121.73 1gks s ALA 11 Ca -0.04 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 1gks s ALA 11 Cb -0.06 -1.18 0.09 0.00 0.00 0.00 0.00 23.12 21.97 1gks s ALA 11 CO -0.01 -1.24 0.90 -2.30 0.00 0.00 0.00 175.76 173.11 1gks n PRO 12 N 5.12 -0.26 -2.23 0.00 -0.02 -1.26 -4.84 135.00 131.52 1gks n PRO 12 Ca -0.08 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 1gks n PRO 12 Cb 0.47 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.43 3.86 0.16 3.45 -4.23 -1.07 -4.93 115.64 110.46 1gks s THR 13 Ca 0.65 1.13 -0.18 0.00 -1.18 0.00 0.00 61.69 62.11 1gks s THR 13 Cb -0.24 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 69.94 1gks s THR 13 CO 0.60 -0.06 1.66 0.00 -0.54 0.00 0.00 174.62 176.28 1gks h SER 15 N -0.04 -1.64 -1.30 0.00 4.64 -1.62 0.19 113.55 113.78 1gks h SER 15 Ca 0.17 0.31 0.38 0.00 -0.47 0.00 0.00 61.79 62.19 1gks h SER 15 Cb 0.31 0.81 -0.08 0.00 -0.31 0.00 0.00 62.40 63.13 1gks h SER 15 CO -0.39 -0.27 0.90 0.28 -0.87 0.00 0.00 176.83 176.48 1gks h SER 16 N -0.01 0.14 0.00 4.97 0.02 -1.79 0.19 113.55 117.07 1gks h SER 16 Ca 0.29 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.15 1gks h SER 16 Cb 0.54 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1gks h SER 16 CO -0.96 -0.01 -1.39 0.00 -1.14 0.00 0.00 176.83 173.32 1gks h HIS 18 N -1.00 0.26 -0.43 0.00 3.86 -0.84 0.28 115.15 117.28 1gks h HIS 18 Ca -0.20 -0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 58.87 1gks h HIS 18 Cb 1.14 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 1gks h HIS 18 CO -0.31 0.58 -0.03 0.22 0.86 0.00 0.00 177.93 179.25 1gks h ASP 19 N 0.19 0.77 1.15 2.45 3.58 -0.82 -3.12 116.42 120.63 1gks h ASP 19 Ca 0.02 -0.33 -0.17 0.00 0.42 0.00 0.00 57.03 56.97 1gks h ASP 19 Cb 0.76 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1gks h ASP 19 CO 0.06 0.92 -0.87 0.03 -2.88 0.00 0.00 179.24 176.50 1gks h ARG 20 N 0.61 0.00 -1.14 0.28 2.47 -1.64 -3.47 114.38 111.50 1gks h ARG 20 Ca 0.12 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1gks h ARG 20 Cb 0.54 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1gks h ARG 20 CO 0.03 0.76 -0.09 0.41 0.56 0.00 0.00 179.97 181.64 1gks n GLY 21 N 1.32 0.54 3.78 0.04 0.00 0.92 -4.99 105.19 106.79 1gks n GLY 21 Ca -0.00 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1gks n GLY 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1gks n VAL 22 N -3.34 1.98 -2.29 1.61 3.14 -0.70 -1.27 118.33 117.46 1gks n VAL 22 Ca -0.01 -0.49 -0.13 0.00 -2.96 0.00 0.00 64.34 60.74 1gks n VAL 22 Cb 0.52 -2.00 -0.01 0.00 -1.06 0.00 0.00 33.84 31.28 1gks n VAL 22 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1gks n ALA 23 N 0.47 -0.69 -1.61 1.55 0.00 -1.26 -0.75 120.51 118.22 1gks n ALA 23 Ca 0.01 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1gks n ALA 23 Cb 0.39 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.73 0.60 3.69 0.00 0.00 -0.39 -4.98 105.19 103.37 1gks n GLY 24 Ca -0.15 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 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 0.11 1.72 -1.67 4.61 0.00 0.07 -4.85 120.51 120.50 1gks n ALA 25 Ca -0.09 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1gks n ALA 25 Cb 0.39 -2.38 -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 0.46 3.89 0.79 0.00 0.04 -1.26 -4.45 135.00 134.48 1gks s PRO 26 Ca 0.74 2.45 -0.04 0.00 0.04 0.00 0.00 61.00 64.19 1gks s PRO 26 Cb -0.62 -4.21 0.16 0.00 0.04 0.00 0.00 34.50 29.87 1gks s PRO 26 CO 0.41 -1.24 1.09 -1.21 0.04 0.00 0.00 177.00 176.10 1gks s GLU 27 N 4.91 1.32 0.83 4.56 8.01 -1.26 -4.88 118.70 132.19 1gks s GLU 27 Ca 0.91 -1.01 -0.11 0.00 0.01 0.00 0.00 54.97 54.76 1gks s GLU 27 Cb -0.40 -2.21 0.09 0.00 -4.31 0.00 0.00 34.13 27.30 1gks s GLU 27 CO 0.40 -1.76 1.13 -0.51 0.01 0.00 0.00 175.26 174.53 1gks s LEU 28 N -5.35 2.99 -1.08 1.80 2.01 -1.26 -3.88 118.68 113.92 1gks s LEU 28 Ca 0.69 2.04 -0.11 0.00 0.01 0.00 0.00 54.13 56.77 1gks s LEU 28 Cb -0.04 -4.55 0.01 0.00 0.01 0.00 0.00 46.19 41.62 1gks s LEU 28 CO 0.47 -2.51 0.20 -0.46 1.01 0.00 0.00 176.35 175.06 1gks n ASN 29 N -3.71 -0.75 -3.11 2.29 6.94 -1.24 -4.89 115.26 110.78 1gks n ASN 29 Ca 0.11 -0.98 -0.19 0.00 -0.02 0.00 0.00 54.58 53.50 1gks n ASN 29 Cb 0.52 -1.20 -0.03 0.00 -2.36 0.00 0.00 39.78 36.71 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 -3.87 2.54 -0.37 -2.53 0.00 -1.25 -4.93 120.51 110.10 1gks n ALA 30 Ca -0.19 -3.61 0.02 0.00 0.00 0.00 0.00 53.44 49.67 1gks n ALA 30 Cb 0.49 -0.89 0.08 0.00 0.00 0.00 0.00 19.45 19.13 1gks n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1gks n PRO 31 N 0.17 -0.17 -0.29 0.00 -0.02 -1.26 -0.54 135.00 132.88 1gks n PRO 31 Ca 0.25 1.52 0.23 0.00 -2.02 0.00 0.00 63.50 63.49 1gks n PRO 31 Cb 0.63 -2.26 0.54 0.00 -0.02 0.00 0.00 33.50 32.38 1gks n PRO 31 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1gks h GLU 32 N 0.00 0.33 0.00 -0.52 9.09 -2.00 0.24 114.58 121.73 1gks h GLU 32 Ca 0.39 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.66 1gks h GLU 32 Cb 0.64 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 27.65 1gks h GLU 32 CO -0.99 0.22 -0.59 0.22 0.05 0.00 0.00 179.01 177.92 1gks h ASP 33 N 0.34 0.00 0.40 3.06 1.82 -1.23 -3.29 116.42 117.53 1gks h ASP 33 Ca 0.55 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.88 1gks h ASP 33 Cb 1.49 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.45 1gks h ASP 33 CO -0.22 0.59 -1.83 0.79 -1.61 0.00 0.00 179.24 176.96 1gks n TRP 34 N -3.57 0.84 -0.29 0.28 7.02 0.47 -4.51 117.44 117.67 1gks n TRP 34 Ca -0.00 0.30 0.03 0.00 -1.02 0.00 0.00 57.50 56.81 1gks n TRP 34 Cb 0.65 -1.15 0.09 0.00 -2.42 0.00 0.00 31.31 28.47 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 -2.60 0.11 0.16 6.99 0.00 0.54 -0.23 120.51 125.49 1gks n ALA 35 Ca -0.20 0.85 0.04 0.00 0.00 0.00 0.00 53.44 54.14 1gks n ALA 35 Cb 1.07 -0.48 0.18 0.00 0.00 0.00 0.00 19.45 20.22 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 -4.14 0.00 5.19 -1.79 -3.46 116.42 112.22 1gks h ASP 36 Ca 0.35 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.29 1gks h ASP 36 Cb 0.55 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.09 1gks h ASP 36 CO -0.81 0.43 0.37 -0.13 -3.12 0.00 0.00 179.24 175.99 1gks s ARG 37 N -3.25 3.77 -0.27 3.56 0.52 0.68 -4.96 118.95 119.00 1gks s ARG 37 Ca 0.02 1.16 -0.28 0.00 -0.52 0.00 0.00 55.73 56.11 1gks s ARG 37 Cb 0.09 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 1gks s ARG 37 CO 0.71 -0.43 1.96 -1.25 0.02 0.00 0.00 175.30 176.31 1gks s PRO 38 N -3.71 3.31 0.54 3.54 0.04 -1.26 -4.83 135.00 132.63 1gks s PRO 38 Ca 0.63 1.72 0.25 0.00 0.04 0.00 0.00 61.00 63.64 1gks s PRO 38 Cb -0.13 -4.25 1.43 0.00 0.04 0.00 0.00 34.50 31.59 1gks s PRO 38 CO 0.27 -1.89 2.03 0.77 0.04 0.00 0.00 177.00 178.22 1gks h SER 39 N 13.52 0.00 -1.18 6.66 0.02 -1.91 -3.41 113.55 127.25 1gks h SER 39 Ca -0.37 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.04 1gks h SER 39 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1gks h SER 39 CO 1.00 0.00 1.59 -1.20 -1.14 0.00 0.00 176.83 177.07 1gks n SER 40 N -4.25 1.96 -0.35 3.07 7.64 -1.26 -4.84 113.62 115.59 1gks n SER 40 Ca 0.07 -0.05 0.14 0.00 1.01 0.00 0.00 58.87 60.04 1gks n SER 40 Cb 0.50 -1.36 0.34 0.00 -1.01 0.00 0.00 64.21 62.68 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 7.54 0.70 -0.10 0.44 2.07 -1.98 0.11 116.25 125.02 1gks h VAL 41 Ca -0.23 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1gks h VAL 41 Cb 1.29 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1gks h VAL 41 CO 1.15 0.13 0.17 -0.78 0.02 0.00 0.00 177.57 178.26 1gks h ASP 42 N 0.74 0.00 0.00 0.57 3.58 -1.94 0.11 116.42 119.48 1gks h ASP 42 Ca 0.58 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.85 1gks h ASP 42 Cb 0.94 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 1gks h ASP 42 CO -0.37 0.00 -1.10 -0.62 -2.88 0.00 0.00 179.24 174.27 1gks n GLU 43 N -3.50 0.53 -0.35 0.28 -0.58 0.34 -4.29 120.64 113.08 1gks n GLU 43 Ca -0.00 0.55 0.16 0.00 -0.42 0.00 0.00 57.16 57.44 1gks n GLU 43 Cb 0.27 -1.72 0.36 0.00 -0.57 0.00 0.00 31.44 29.78 1gks n GLU 43 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1gks h LEU 44 N -1.00 0.72 -1.62 -4.62 3.38 -0.82 0.18 115.31 111.52 1gks h LEU 44 Ca -0.26 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1gks h LEU 44 Cb 1.08 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1gks h LEU 44 CO -0.16 0.19 0.26 1.62 0.09 0.00 0.00 178.44 180.43 1gks h VAL 45 N 0.66 1.10 -0.21 1.22 3.04 -1.00 0.13 116.25 121.19 1gks h VAL 45 Ca 0.61 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 66.10 1gks h VAL 45 Cb 1.08 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1gks h VAL 45 CO -0.42 0.10 0.03 -0.33 -1.01 0.00 0.00 177.57 175.93 1gks h GLU 46 N 0.52 0.35 -0.70 4.17 4.39 -0.83 0.22 114.58 122.70 1gks h GLU 46 Ca 0.14 -0.10 0.11 0.00 0.34 0.00 0.00 59.36 59.85 1gks h GLU 46 Cb -0.06 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.47 1gks h GLU 46 CO -0.03 0.51 0.31 0.77 -1.16 0.00 0.00 179.01 179.41 1gks h SER 47 N 0.14 0.36 -0.15 1.42 0.02 -1.13 0.60 113.55 114.80 1gks h SER 47 Ca 0.06 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1gks h SER 47 Cb 0.34 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1gks h SER 47 CO 0.01 0.19 0.01 0.74 -1.14 0.00 0.00 176.83 176.63 1gks h THR 48 N 0.51 1.24 -0.12 -2.27 2.02 -0.62 0.22 112.91 113.90 1gks h THR 48 Ca 0.36 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1gks h THR 48 Cb 0.45 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1gks h THR 48 CO -0.32 0.24 0.05 -0.07 0.37 0.00 0.00 175.52 175.79 1gks h LEU 49 N 0.01 0.07 -0.46 2.58 3.38 -0.01 -1.07 115.31 119.81 1gks h LEU 49 Ca 0.04 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1gks h LEU 49 Cb 0.35 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1gks h LEU 49 CO 0.01 0.06 -0.77 0.00 0.09 0.00 0.00 178.44 177.83 1gks h ALA 50 N 1.07 0.71 0.00 1.53 0.00 -0.90 -0.49 119.26 121.18 1gks h ALA 50 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1gks h ALA 50 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gks h ALA 50 CO -0.04 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.54 1gks n GLY 51 N 0.67 1.51 3.36 0.00 0.00 0.77 -4.05 105.19 107.43 1gks n GLY 51 Ca -0.01 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.87 0.56 7.55 1.61 2.20 0.14 -4.77 119.74 124.16 1gks s LYS 52 Ca 0.00 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1gks s LYS 52 Cb 0.00 0.66 0.00 0.00 -1.51 0.00 0.00 37.83 36.98 1gks s LYS 52 CO 0.00 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1gks n GLY 53 N 5.44 3.67 0.19 5.54 0.00 -1.26 -0.58 105.19 118.18 1gks n GLY 53 Ca -0.06 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.97 0.91 -2.25 4.61 0.00 -1.98 -3.44 119.26 116.14 1gks h ALA 54 Ca 0.00 -0.33 -0.55 0.00 0.00 0.00 0.00 54.91 54.03 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 0.45 1.13 1.41 0.00 0.00 0.00 179.25 182.25 1gks s MET 55 N -3.44 4.10 0.76 0.00 0.00 0.25 -4.98 119.30 115.99 1gks s MET 55 Ca 0.01 2.22 -0.11 0.00 0.00 0.00 0.00 55.69 57.82 1gks s MET 55 Cb 0.10 -4.04 0.05 0.00 0.00 0.00 0.00 34.83 30.93 1gks s MET 55 CO 0.69 -0.95 1.08 -1.25 0.00 0.00 0.00 175.02 174.59 1gks s PRO 56 N 4.26 2.40 -0.12 4.11 0.04 -1.26 -0.68 135.00 143.74 1gks s PRO 56 Ca 0.77 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1gks s PRO 56 Cb -0.34 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1gks s PRO 56 CO 0.32 -1.50 1.69 0.00 0.04 0.00 0.00 177.00 177.55 1gks s ALA 57 N -2.98 3.42 -1.25 8.56 0.00 -1.26 -4.12 121.76 124.15 1gks s ALA 57 Ca 0.60 0.77 0.29 0.00 0.00 0.00 0.00 51.96 53.62 1gks s ALA 57 Cb -0.16 -3.81 1.22 0.00 0.00 0.00 0.00 23.12 20.37 1gks s ALA 57 CO 0.56 -1.72 1.89 0.66 0.00 0.00 0.00 175.76 177.15 1gks n TYR 58 N 7.98 0.00 -1.53 0.00 4.02 -0.34 -4.76 117.16 122.54 1gks n TYR 58 Ca 0.19 0.00 -0.53 0.00 -0.01 0.00 0.00 57.90 57.55 1gks n TYR 58 Cb 0.44 -0.35 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.33 2.24 0.00 7.72 2.03 -0.37 -0.13 116.55 126.71 1gks n ASP 59 Ca 0.10 0.66 0.00 0.00 0.52 0.00 0.00 54.79 56.07 1gks n ASP 59 Cb 0.30 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 5.79 2.92 0.14 0.27 0.00 -1.26 -4.81 105.19 108.24 1gks n GLY 60 Ca 0.36 0.00 -0.18 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 0.26 0.43 -5.25 1.61 -0.00 -0.83 -3.46 114.38 107.15 1gks h ARG 61 Ca 0.00 -0.47 -0.39 0.00 -0.50 0.00 0.00 59.98 58.63 1gks h ARG 61 Cb 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 29.97 29.91 1gks h ARG 61 CO 0.00 1.13 -0.76 0.00 0.00 0.00 0.00 179.97 180.34 1gks s ALA 62 N -3.18 1.25 -0.04 0.04 0.00 -0.48 -4.76 121.76 114.58 1gks s ALA 62 Ca -0.13 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.49 1gks s ALA 62 Cb 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1gks s ALA 62 CO 0.83 0.09 0.59 0.34 0.00 0.00 0.00 175.76 177.61 1gks s ASP 63 N -2.15 6.92 0.15 0.00 -1.08 -1.26 -4.60 116.67 114.64 1gks s ASP 63 Ca 0.03 1.10 -0.00 0.00 -0.52 0.00 0.00 52.55 53.16 1gks s ASP 63 Cb -0.06 -2.36 0.33 0.00 -1.46 0.00 0.00 42.92 39.37 1gks s ASP 63 CO 0.02 0.03 0.75 -1.14 0.52 0.00 0.00 175.17 175.36 1gks n ARG 64 N 3.15 -0.04 -0.12 4.34 0.63 -1.26 -0.04 116.66 123.31 1gks n ARG 64 Ca -0.06 0.73 -0.12 0.00 -0.92 0.00 0.00 57.85 57.48 1gks n ARG 64 Cb 0.51 -1.14 -0.03 0.00 0.45 0.00 0.00 32.46 32.25 1gks n ARG 64 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1gks h GLU 65 N 0.00 0.81 -0.26 -0.14 4.39 -1.98 0.14 114.58 117.54 1gks h GLU 65 Ca 0.28 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1gks h GLU 65 Cb 0.54 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1gks h GLU 65 CO -0.46 1.02 0.07 -0.44 -1.16 0.00 0.00 179.01 178.03 1gks h ASP 66 N 0.60 0.38 0.19 1.42 5.19 -0.86 -1.05 116.42 122.30 1gks h ASP 66 Ca 0.07 -0.22 0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1gks h ASP 66 Cb 0.82 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.19 1gks h ASP 66 CO 0.07 0.51 -0.47 -0.07 -3.12 0.00 0.00 179.24 176.15 1gks h LEU 67 N 0.24 -1.39 -0.91 1.55 3.38 -0.79 -0.70 115.31 116.69 1gks h LEU 67 Ca 0.08 0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.31 1gks h LEU 67 Cb 0.27 0.50 -0.14 0.00 0.09 0.00 0.00 40.66 41.38 1gks h LEU 67 CO -0.00 -0.52 -0.45 0.58 0.09 0.00 0.00 178.44 178.13 1gks h VAL 68 N -0.73 0.02 -0.71 1.22 2.07 -0.61 0.23 116.25 117.74 1gks h VAL 68 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1gks h VAL 68 Cb 0.71 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1gks h VAL 68 CO -0.21 0.00 0.35 0.11 0.02 0.00 0.00 177.57 177.84 1gks h LYS 69 N -0.05 0.59 -0.13 1.57 1.57 -0.76 0.51 116.57 119.88 1gks h LYS 69 Ca 0.26 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1gks h LYS 69 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1gks h LYS 69 CO -0.91 0.39 0.03 0.00 -0.57 0.00 0.00 179.45 178.39 1gks h ALA 70 N 1.42 0.17 -0.09 3.86 0.00 0.86 -1.79 119.26 123.69 1gks h ALA 70 Ca 0.35 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1gks h ALA 70 Cb 0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1gks h ALA 70 CO -0.26 -0.19 -0.05 0.82 0.00 0.00 0.00 179.25 179.56 1gks h ILE 71 N 0.00 0.84 -0.82 0.00 2.04 -0.27 0.11 117.51 119.41 1gks h ILE 71 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1gks h ILE 71 Cb 0.26 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1gks h ILE 71 CO 0.00 0.00 0.43 1.05 0.00 0.00 0.00 178.15 179.63 1gks h GLU 72 N -0.05 1.16 -0.06 2.37 4.11 -0.87 0.47 114.58 121.72 1gks h GLU 72 Ca 0.05 -0.15 0.02 0.00 0.07 0.00 0.00 59.36 59.35 1gks h GLU 72 Cb 0.13 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1gks h GLU 72 CO -0.12 0.87 -0.06 -0.92 0.07 0.00 0.00 179.01 178.85 1gks h TYR 73 N 1.15 -0.14 -0.19 2.06 3.20 -0.84 0.18 116.97 122.39 1gks h TYR 73 Ca 0.29 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.22 1gks h TYR 73 Cb 0.06 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1gks h TYR 73 CO 0.01 -0.09 -0.21 1.98 -1.64 0.00 0.00 178.16 178.20 1gks h MET 74 N -0.08 -0.24 -0.52 1.82 4.05 -0.19 -0.37 114.93 119.41 1gks h MET 74 Ca 0.04 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.54 1gks h MET 74 Cb 0.14 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1gks h MET 74 CO -0.10 -0.16 0.35 -0.07 0.23 0.00 0.00 176.91 177.16 1gks h LEU 75 N -0.24 0.41 -3.08 3.39 4.07 -0.56 -3.03 115.31 116.26 1gks h LEU 75 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1gks h LEU 75 Cb 0.42 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1gks h LEU 75 CO -0.33 0.27 0.00 -1.20 -1.08 0.00 0.00 178.44 176.10 1gks n SER 76 N -4.47 3.17 0.00 -0.43 7.64 0.59 -1.49 113.62 118.63 1gks n SER 76 Ca 0.07 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 58.16 1gks n SER 76 Cb 0.25 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 1.47 0.00 0.82 0.44 -2.24 -1.15 -5.01 114.28 108.61 1gks n THR 77 Ca 0.00 -0.08 0.07 0.00 -2.27 0.00 0.00 64.05 61.76 1gks n THR 77 Cb 0.33 0.54 0.39 0.00 -2.10 0.00 0.00 70.33 69.48 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68