#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 0.92 0.39 0.44 0.00 -1.26 -4.59 105.19 101.09 1gks n GLY 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1gks n GLY 2 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1gks h GLU 3 N 0.00 -0.38 -0.69 1.61 9.09 -1.90 0.75 114.58 123.06 1gks h GLU 3 Ca 0.00 0.03 0.07 0.00 0.05 0.00 0.00 59.36 59.51 1gks h GLU 3 Cb 0.00 0.09 -0.06 0.00 -1.65 0.00 0.00 28.75 27.13 1gks h GLU 3 CO 0.00 -0.26 0.37 0.77 0.05 0.00 0.00 179.01 179.94 1gks h SER 4 N -0.40 0.52 0.68 3.06 0.02 -1.98 0.78 113.55 116.24 1gks h SER 4 Ca 0.11 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1gks h SER 4 Cb 0.60 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.09 1gks h SER 4 CO -0.49 0.32 -0.33 0.40 -1.14 0.00 0.00 176.83 175.59 1gks h ILE 5 N 0.66 0.24 0.03 3.27 2.04 -1.56 0.16 117.51 122.35 1gks h ILE 5 Ca 0.32 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1gks h ILE 5 Cb 0.26 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1gks h ILE 5 CO -0.22 0.02 -0.07 0.22 0.00 0.00 0.00 178.15 178.10 1gks h TYR 6 N -1.06 -0.18 -0.08 1.37 5.03 -0.69 0.17 116.97 121.53 1gks h TYR 6 Ca -0.09 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.20 1gks h TYR 6 Cb 0.73 0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.09 1gks h TYR 6 CO -0.01 -0.11 -0.04 0.82 -1.32 0.00 0.00 178.16 177.50 1gks h ILE 7 N -0.14 1.32 -0.03 1.81 1.08 -0.85 -2.26 117.51 118.44 1gks h ILE 7 Ca 0.02 -1.05 -0.17 0.00 -0.39 0.00 0.00 64.86 63.26 1gks h ILE 7 Cb 0.16 1.86 -0.17 0.00 -3.07 0.00 0.00 36.82 35.60 1gks h ILE 7 CO -0.06 0.29 -0.33 -0.46 -0.69 0.00 0.00 178.15 176.91 1gks n ASN 8 N -4.76 -1.25 -2.38 1.72 2.04 0.42 -4.60 115.26 106.45 1gks n ASN 8 Ca -0.07 -2.20 0.00 0.00 -0.44 0.00 0.00 54.58 51.87 1gks n ASN 8 Cb 0.26 0.60 0.05 0.00 -2.53 0.00 0.00 39.78 38.16 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 -1.48 1.55 3.11 4.83 0.00 0.03 -4.85 105.19 108.38 1gks n GLY 9 Ca -0.16 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.12 0.41 -0.20 2.61 -4.23 -1.10 -4.67 115.64 106.34 1gks s THR 10 Ca 0.25 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1gks s THR 10 Cb 0.34 -1.44 0.07 0.00 1.34 0.00 0.00 72.50 72.81 1gks s THR 10 CO -0.08 -0.88 0.10 0.00 -0.54 0.00 0.00 174.62 173.22 1gks s ALA 11 N -3.50 0.45 0.76 3.99 0.00 -1.26 -2.52 121.76 119.69 1gks s ALA 11 Ca 0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 1gks s ALA 11 Cb 0.05 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1gks s ALA 11 CO -0.07 -1.29 0.99 -2.30 0.00 0.00 0.00 175.76 173.09 1gks n PRO 12 N 5.27 0.36 -1.98 0.00 -0.02 -1.26 -4.80 135.00 132.58 1gks n PRO 12 Ca -0.07 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 1gks n PRO 12 Cb 0.47 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.94 3.07 0.18 3.45 -4.23 -1.05 -4.91 115.64 110.20 1gks s THR 13 Ca 0.72 0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 61.67 1gks s THR 13 Cb -0.32 -3.37 0.10 0.00 1.34 0.00 0.00 72.50 70.25 1gks s THR 13 CO 0.52 0.01 1.70 0.00 -0.54 0.00 0.00 174.62 176.30 1gks h SER 15 N 0.15 -0.74 -1.19 0.00 4.64 -1.66 -0.92 113.55 113.82 1gks h SER 15 Ca 0.23 0.26 0.36 0.00 -0.47 0.00 0.00 61.79 62.17 1gks h SER 15 Cb 0.32 0.52 -0.11 0.00 -0.31 0.00 0.00 62.40 62.82 1gks h SER 15 CO -0.35 -0.29 0.77 0.28 -0.87 0.00 0.00 176.83 176.37 1gks h SER 16 N 0.01 0.33 0.00 4.97 0.02 -1.75 0.15 113.55 117.28 1gks h SER 16 Ca 0.44 0.12 -0.26 0.00 -0.84 0.00 0.00 61.79 61.24 1gks h SER 16 Cb 0.70 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1gks h SER 16 CO -0.88 -0.07 -1.86 0.00 -1.14 0.00 0.00 176.83 172.87 1gks h HIS 18 N -1.00 0.00 -0.40 0.00 3.86 -1.07 0.31 115.15 116.85 1gks h HIS 18 Ca -0.40 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.72 1gks h HIS 18 Cb 1.34 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.80 1gks h HIS 18 CO -0.24 0.20 -0.11 0.22 0.86 0.00 0.00 177.93 178.86 1gks h ASP 19 N 0.00 0.79 0.79 2.45 3.58 -0.91 -3.24 116.42 119.88 1gks h ASP 19 Ca -0.00 -0.37 -0.14 0.00 0.42 0.00 0.00 57.03 56.94 1gks h ASP 19 Cb 0.64 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1gks h ASP 19 CO 0.03 0.98 -1.30 0.03 -2.88 0.00 0.00 179.24 176.10 1gks h ARG 20 N 0.60 0.00 -1.15 0.28 3.08 -1.69 -3.47 114.38 112.03 1gks h ARG 20 Ca 0.10 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1gks h ARG 20 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.70 1gks h ARG 20 CO 0.04 0.26 -0.10 0.41 -1.07 0.00 0.00 179.97 179.51 1gks n GLY 21 N 1.36 0.48 3.75 0.04 0.00 0.97 -5.00 105.19 106.79 1gks n GLY 21 Ca -0.08 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.62 2.26 -1.13 1.61 0.11 -0.52 -1.77 120.40 118.35 1gks s VAL 22 Ca 0.05 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1gks s VAL 22 Cb -0.02 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 1gks s VAL 22 CO 0.06 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.83 1gks n ALA 23 N -0.84 -0.73 -1.63 1.54 0.00 -1.26 -0.72 120.51 116.87 1gks n ALA 23 Ca 0.09 0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.56 1gks n ALA 23 Cb 0.45 -1.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.78 0.61 3.73 0.00 0.00 -0.73 -4.91 105.19 103.11 1gks n GLY 24 Ca -0.15 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 0.08 2.51 -1.79 4.61 0.00 0.10 -4.88 120.51 121.14 1gks n ALA 25 Ca -0.09 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 1gks n ALA 25 Cb 0.41 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 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 4.16 0.52 0.00 0.04 -1.26 -4.41 135.00 134.25 1gks s PRO 26 Ca 0.69 2.48 -0.07 0.00 0.04 0.00 0.00 61.00 64.14 1gks s PRO 26 Cb -0.52 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 1gks s PRO 26 CO 0.42 -0.88 0.85 -1.21 0.04 0.00 0.00 177.00 176.22 1gks s GLU 27 N 3.84 3.56 0.34 4.56 2.02 -1.26 -4.87 118.70 126.89 1gks s GLU 27 Ca 0.82 0.36 -0.27 0.00 0.02 0.00 0.00 54.97 55.90 1gks s GLU 27 Cb -0.41 -2.29 -0.09 0.00 0.10 0.00 0.00 34.13 31.44 1gks s GLU 27 CO 0.37 -0.30 1.11 -0.51 0.02 0.00 0.00 175.26 175.94 1gks s LEU 28 N -4.85 4.35 -1.03 1.80 1.02 -1.26 -3.28 118.68 115.44 1gks s LEU 28 Ca 0.50 2.23 0.00 0.00 0.02 0.00 0.00 54.13 56.88 1gks s LEU 28 Cb -0.10 -3.88 0.00 0.00 0.02 0.00 0.00 46.19 42.23 1gks s LEU 28 CO 0.47 -0.37 0.00 0.59 0.02 0.00 0.00 176.35 177.06 1gks n ASN 29 N 0.56 -3.86 -3.34 2.29 3.02 -1.25 -4.99 115.26 107.68 1gks n ASN 29 Ca 0.02 0.07 -0.26 0.00 -0.03 0.00 0.00 54.58 54.38 1gks n ASN 29 Cb 0.46 -2.88 -0.08 0.00 -0.61 0.00 0.00 39.78 36.68 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 -0.74 3.45 -0.37 5.41 0.00 -1.20 -4.96 120.51 122.10 1gks n ALA 30 Ca -0.13 -4.25 0.02 0.00 0.00 0.00 0.00 53.44 49.08 1gks n ALA 30 Cb 0.53 -0.87 0.09 0.00 0.00 0.00 0.00 19.45 19.20 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 4.15 -0.00 -0.97 0.00 0.11 -1.91 0.11 132.00 133.48 1gks h PRO 31 Ca 0.15 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.51 1gks h PRO 31 Cb 0.74 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.79 1gks h PRO 31 CO 0.69 -0.00 0.65 1.05 -0.21 0.00 0.00 178.00 180.19 1gks h GLU 32 N -0.00 0.28 0.00 1.05 9.09 -1.97 0.18 114.58 123.20 1gks h GLU 32 Ca 0.41 -0.02 -0.07 0.00 0.05 0.00 0.00 59.36 59.73 1gks h GLU 32 Cb 0.66 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 1gks h GLU 32 CO -1.00 0.19 -0.32 -0.44 0.05 0.00 0.00 179.01 177.49 1gks h ASP 33 N 0.29 0.00 0.00 3.06 5.19 -1.13 -3.20 116.42 120.64 1gks h ASP 33 Ca 0.51 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.75 1gks h ASP 33 Cb 1.48 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.96 1gks h ASP 33 CO -0.17 0.32 -2.13 0.79 -3.12 0.00 0.00 179.24 174.94 1gks n TRP 34 N -3.79 0.00 -0.29 4.55 7.02 0.37 -4.56 117.44 120.75 1gks n TRP 34 Ca -0.01 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.66 1gks n TRP 34 Cb 0.41 -0.71 0.36 0.00 -2.42 0.00 0.00 31.31 28.96 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 -2.46 0.63 -1.63 6.99 0.00 0.25 -0.50 120.51 123.79 1gks n ALA 35 Ca -0.17 0.90 -0.20 0.00 0.00 0.00 0.00 53.44 53.97 1gks n ALA 35 Cb 0.83 -0.76 0.10 0.00 0.00 0.00 0.00 19.45 19.62 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 4.71 -4.26 0.00 8.00 -1.26 -4.98 116.55 113.63 1gks n ASP 36 Ca 0.26 -3.77 -0.18 0.00 0.71 0.00 0.00 54.79 51.80 1gks n ASP 36 Cb 0.86 -0.62 -0.11 0.00 -0.02 0.00 0.00 41.12 41.23 1gks n ASP 36 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1gks s ARG 37 N -3.53 1.08 0.06 -1.24 0.52 0.34 -5.11 118.95 111.07 1gks s ARG 37 Ca 0.53 -1.31 -0.35 0.00 -0.52 0.00 0.00 55.73 54.08 1gks s ARG 37 Cb 0.44 -0.94 -0.14 0.00 0.52 0.00 0.00 34.95 34.83 1gks s ARG 37 CO 0.01 0.17 1.63 -2.30 0.02 0.00 0.00 175.30 174.84 1gks n PRO 38 N 0.35 1.95 -0.09 3.54 -0.02 -1.26 -4.89 135.00 134.58 1gks n PRO 38 Ca -0.14 0.71 -0.14 0.00 -2.02 0.00 0.00 63.50 61.91 1gks n PRO 38 Cb 0.58 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 6.66 0.84 -1.01 2.55 4.64 -1.97 -3.44 113.55 121.82 1gks h SER 39 Ca -0.46 -0.49 -0.52 0.00 -0.47 0.00 0.00 61.79 59.85 1gks h SER 39 Cb 1.27 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1gks h SER 39 CO 0.89 1.16 1.62 -1.20 -0.87 0.00 0.00 176.83 178.44 1gks n SER 40 N -4.18 1.68 -0.29 4.97 7.64 -1.26 -4.84 113.62 117.34 1gks n SER 40 Ca -0.04 -0.08 0.10 0.00 1.01 0.00 0.00 58.87 59.86 1gks n SER 40 Cb 0.52 -1.31 0.27 0.00 -1.01 0.00 0.00 64.21 62.67 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 7.65 0.54 -0.98 0.44 2.07 -1.99 0.13 116.25 124.12 1gks h VAL 41 Ca -0.19 -0.15 0.24 0.00 0.82 0.00 0.00 66.70 67.42 1gks h VAL 41 Cb 1.29 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1gks h VAL 41 CO 1.19 0.08 0.65 -0.78 0.02 0.00 0.00 177.57 178.73 1gks h ASP 42 N 0.43 0.38 0.01 0.57 3.58 -1.98 0.75 116.42 120.15 1gks h ASP 42 Ca 0.51 0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.84 1gks h ASP 42 Cb 0.90 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 1gks h ASP 42 CO -0.48 0.11 -0.93 -0.33 -2.88 0.00 0.00 179.24 174.73 1gks h GLU 43 N 0.35 0.01 -0.98 0.28 5.08 -1.19 -3.37 114.58 114.77 1gks h GLU 43 Ca 0.53 -0.02 0.21 0.00 -1.00 0.00 0.00 59.36 59.08 1gks h GLU 43 Cb 1.41 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.55 1gks h GLU 43 CO -0.21 1.01 0.56 -0.07 -1.00 0.00 0.00 179.01 179.30 1gks h LEU 44 N -0.97 0.66 -1.56 1.33 3.38 -0.50 0.22 115.31 117.86 1gks h LEU 44 Ca -0.25 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1gks h LEU 44 Cb 1.25 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1gks h LEU 44 CO -0.14 0.16 0.03 1.62 0.09 0.00 0.00 178.44 180.20 1gks h VAL 45 N 0.63 1.12 -0.20 1.22 3.04 -1.04 -0.17 116.25 120.85 1gks h VAL 45 Ca 0.59 -0.45 -0.02 0.00 -1.01 0.00 0.00 66.70 65.82 1gks h VAL 45 Cb 1.03 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1gks h VAL 45 CO -0.44 0.15 0.04 -0.33 -1.01 0.00 0.00 177.57 175.99 1gks h GLU 46 N 0.30 0.32 -0.71 4.17 5.08 -0.73 0.24 114.58 123.25 1gks h GLU 46 Ca 0.07 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1gks h GLU 46 Cb 0.16 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 1gks h GLU 46 CO 0.00 0.45 0.33 0.77 -1.00 0.00 0.00 179.01 179.56 1gks h SER 47 N 0.13 0.40 -0.26 1.42 0.02 -1.09 0.24 113.55 114.40 1gks h SER 47 Ca 0.06 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1gks h SER 47 Cb 0.28 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1gks h SER 47 CO 0.00 0.22 -0.02 0.74 -1.14 0.00 0.00 176.83 176.63 1gks h THR 48 N 0.55 1.26 -0.12 -2.27 2.02 -0.61 0.25 112.91 113.99 1gks h THR 48 Ca 0.36 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1gks h THR 48 Cb 0.43 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1gks h THR 48 CO -0.30 0.30 0.02 -0.07 0.37 0.00 0.00 175.52 175.84 1gks h LEU 49 N 0.25 0.01 -0.46 2.58 3.38 0.07 -1.81 115.31 119.32 1gks h LEU 49 Ca 0.07 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1gks h LEU 49 Cb 0.45 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1gks h LEU 49 CO 0.02 0.02 -0.76 0.00 0.09 0.00 0.00 178.44 177.81 1gks h ALA 50 N 1.09 0.71 0.00 1.53 0.00 -0.95 -0.35 119.26 121.29 1gks h ALA 50 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1gks h ALA 50 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gks h ALA 50 CO -0.07 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1gks n GLY 51 N 0.64 1.66 3.31 0.00 0.00 0.88 -4.00 105.19 107.69 1gks n GLY 51 Ca -0.02 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.55 0.54 6.49 1.61 2.20 0.03 -4.74 119.74 123.32 1gks s LYS 52 Ca 0.00 1.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1gks s LYS 52 Cb 0.00 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1gks s LYS 52 CO 0.00 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 1gks n GLY 53 N 5.43 3.09 0.17 5.54 0.00 -1.26 -0.36 105.19 117.80 1gks n GLY 53 Ca -0.05 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.90 0.93 -2.29 4.61 0.00 -1.98 -3.44 119.26 116.19 1gks h ALA 54 Ca 0.00 -0.39 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 1gks h ALA 54 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gks h ALA 54 CO 0.00 0.54 1.04 1.41 0.00 0.00 0.00 179.25 182.24 1gks s MET 55 N -3.50 4.20 0.72 0.00 0.00 0.52 -4.99 119.30 116.24 1gks s MET 55 Ca 0.00 2.15 -0.11 0.00 0.00 0.00 0.00 55.69 57.74 1gks s MET 55 Cb 0.11 -3.89 0.02 0.00 0.00 0.00 0.00 34.83 31.07 1gks s MET 55 CO 0.70 -0.80 1.07 -1.25 0.00 0.00 0.00 175.02 174.75 1gks s PRO 56 N 3.67 2.75 0.02 4.11 0.04 -1.26 -0.79 135.00 143.55 1gks s PRO 56 Ca 0.71 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 1gks s PRO 56 Cb -0.33 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1gks s PRO 56 CO 0.29 -1.24 1.70 0.00 0.04 0.00 0.00 177.00 177.79 1gks s ALA 57 N -3.02 3.65 -1.01 8.56 0.00 -1.26 -4.16 121.76 124.53 1gks s ALA 57 Ca 0.59 1.13 0.25 0.00 0.00 0.00 0.00 51.96 53.93 1gks s ALA 57 Cb -0.15 -3.73 0.57 0.00 0.00 0.00 0.00 23.12 19.81 1gks s ALA 57 CO 0.55 -1.27 1.46 0.66 0.00 0.00 0.00 175.76 177.16 1gks n TYR 58 N 6.41 0.00 -1.54 0.00 4.01 -0.24 -4.77 117.16 121.03 1gks n TYR 58 Ca 0.17 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.72 1gks n TYR 58 Cb 0.41 -0.27 -0.11 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.49 0.99 0.00 7.72 2.03 -0.61 -0.48 116.55 124.70 1gks n ASP 59 Ca 0.06 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1gks n ASP 59 Cb 0.34 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 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 6.40 3.27 0.36 0.27 0.00 -1.26 -4.88 105.19 109.34 1gks n GLY 60 Ca 0.52 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 1.21 -4.69 1.61 -0.00 -1.08 -3.43 114.38 108.00 1gks h ARG 61 Ca 0.00 -0.12 -0.26 0.00 -0.50 0.00 0.00 59.98 59.10 1gks h ARG 61 Cb 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 29.97 29.57 1gks h ARG 61 CO 0.00 0.86 -0.66 0.00 0.00 0.00 0.00 179.97 180.17 1gks s ALA 62 N -5.87 1.22 -0.07 0.04 0.00 -0.11 -4.59 121.76 112.38 1gks s ALA 62 Ca -0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.26 1gks s ALA 62 Cb 0.17 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1gks s ALA 62 CO 0.82 -0.38 -0.02 0.34 0.00 0.00 0.00 175.76 176.52 1gks s ASP 63 N -3.14 5.05 0.13 0.00 -1.08 -1.26 -4.33 116.67 112.03 1gks s ASP 63 Ca 0.25 0.07 -0.04 0.00 -0.52 0.00 0.00 52.55 52.31 1gks s ASP 63 Cb 0.07 -1.36 0.20 0.00 -1.46 0.00 0.00 42.92 40.37 1gks s ASP 63 CO 0.04 0.36 0.72 -1.14 0.52 0.00 0.00 175.17 175.67 1gks n ARG 64 N 2.05 -0.05 -0.10 4.34 0.63 -1.26 -0.05 116.66 122.22 1gks n ARG 64 Ca -0.18 0.72 -0.10 0.00 -0.92 0.00 0.00 57.85 57.37 1gks n ARG 64 Cb 0.53 -1.07 -0.03 0.00 0.45 0.00 0.00 32.46 32.34 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 0.51 0.45 -0.14 3.07 -1.99 0.19 114.58 116.67 1gks h GLU 65 Ca 0.21 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1gks h GLU 65 Cb 0.33 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1gks h GLU 65 CO -0.47 0.60 -0.22 -0.44 -1.40 0.00 0.00 179.01 177.08 1gks h ASP 66 N 0.33 -0.51 -0.34 1.42 3.32 -0.87 -2.29 116.42 117.49 1gks h ASP 66 Ca 0.09 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.21 1gks h ASP 66 Cb 0.34 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.94 1gks h ASP 66 CO 0.01 -0.36 -0.47 -0.07 -1.72 0.00 0.00 179.24 176.63 1gks h LEU 67 N -0.62 -1.54 -0.70 1.55 3.38 -0.93 -0.90 115.31 115.55 1gks h LEU 67 Ca -0.06 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1gks h LEU 67 Cb 0.47 0.65 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 1gks h LEU 67 CO 0.10 -0.40 -0.40 0.58 0.09 0.00 0.00 178.44 178.41 1gks h VAL 68 N -0.40 0.09 -0.71 1.22 2.07 -0.50 0.19 116.25 118.21 1gks h VAL 68 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1gks h VAL 68 Cb 0.61 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1gks h VAL 68 CO -0.54 0.00 0.45 0.11 0.02 0.00 0.00 177.57 177.61 1gks h LYS 69 N -0.14 0.85 -0.22 1.57 1.79 -0.78 0.12 116.57 119.76 1gks h LYS 69 Ca 0.23 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1gks h LYS 69 Cb 0.56 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1gks h LYS 69 CO -0.77 0.56 0.14 0.00 -1.08 0.00 0.00 179.45 178.30 1gks h ALA 70 N 1.30 0.28 -0.78 3.86 0.00 0.54 -0.80 119.26 123.66 1gks h ALA 70 Ca 0.29 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1gks h ALA 70 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1gks h ALA 70 CO -0.11 -0.25 0.49 0.82 0.00 0.00 0.00 179.25 180.20 1gks h ILE 71 N 0.29 1.10 0.08 0.00 2.04 -0.33 0.51 117.51 121.20 1gks h ILE 71 Ca 0.08 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1gks h ILE 71 Cb -0.03 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 1gks h ILE 71 CO -0.02 0.17 -0.15 -0.33 0.00 0.00 0.00 178.15 177.82 1gks h GLU 72 N 0.94 -0.28 0.00 2.37 5.08 -0.15 0.78 114.58 123.32 1gks h GLU 72 Ca 0.32 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1gks h GLU 72 Cb 0.04 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1gks h GLU 72 CO -0.12 -0.19 -0.25 -0.92 -1.00 0.00 0.00 179.01 176.52 1gks h TYR 73 N -0.30 -0.67 -0.42 4.33 3.20 -0.56 0.20 116.97 122.75 1gks h TYR 73 Ca 0.03 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1gks h TYR 73 Cb 0.32 0.30 -0.09 0.00 1.54 0.00 0.00 36.73 38.80 1gks h TYR 73 CO -0.17 -0.34 -0.40 1.98 -1.64 0.00 0.00 178.16 177.58 1gks h MET 74 N -0.39 -0.29 -0.31 1.82 4.05 -0.71 -0.23 114.93 118.88 1gks h MET 74 Ca 0.06 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1gks h MET 74 Cb 0.47 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1gks h MET 74 CO -0.22 -0.19 0.14 -0.07 0.23 0.00 0.00 176.91 176.80 1gks h LEU 75 N -0.30 0.37 -3.61 3.39 4.07 -0.44 -3.17 115.31 115.63 1gks h LEU 75 Ca 0.15 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 1gks h LEU 75 Cb 0.57 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1gks h LEU 75 CO -0.58 0.33 -0.05 -1.20 -1.08 0.00 0.00 178.44 175.86 1gks n SER 76 N -4.43 3.89 0.00 -0.43 7.64 0.67 -2.02 113.62 118.95 1gks n SER 76 Ca 0.01 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1gks n SER 76 Cb 0.12 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 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 1.98 0.00 1.63 0.44 -2.24 -1.20 -4.99 114.28 109.90 1gks n THR 77 Ca 0.11 -0.03 0.15 0.00 -2.27 0.00 0.00 64.05 62.00 1gks n THR 77 Cb 0.47 0.37 0.63 0.00 -2.10 0.00 0.00 70.33 69.71 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68