#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 1.17 0.90 6.12 0.00 -1.98 0.04 103.07 109.33 1gks h GLY 2 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1gks h GLY 2 CO 0.00 0.04 -0.30 0.83 0.00 0.00 0.00 176.54 177.10 1gks h GLU 3 N 0.62 -0.75 -0.52 4.80 5.08 -1.94 0.10 114.58 121.98 1gks h GLU 3 Ca 0.39 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.90 1gks h GLU 3 Cb 0.45 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.78 1gks h GLU 3 CO -0.30 -0.50 -0.10 0.77 -1.00 0.00 0.00 179.01 177.88 1gks h SER 4 N -0.78 -0.42 0.52 1.42 0.02 -1.79 0.16 113.55 112.68 1gks h SER 4 Ca -0.06 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1gks h SER 4 Cb 0.63 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1gks h SER 4 CO 0.08 -0.15 -0.41 0.40 -1.14 0.00 0.00 176.83 175.61 1gks h ILE 5 N 0.03 0.17 -0.63 3.27 2.04 -0.77 0.17 117.51 121.79 1gks h ILE 5 Ca 0.25 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.16 1gks h ILE 5 Cb 0.39 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1gks h ILE 5 CO -0.51 0.00 0.36 0.22 0.00 0.00 0.00 178.15 178.22 1gks h TYR 6 N -0.92 0.66 0.00 1.37 5.03 -0.49 0.12 116.97 122.74 1gks h TYR 6 Ca -0.06 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 1gks h TYR 6 Cb 0.78 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1gks h TYR 6 CO -0.17 0.34 -0.04 0.82 -1.32 0.00 0.00 178.16 177.79 1gks h ILE 7 N 0.68 1.65 0.00 1.81 2.04 -0.54 -2.55 117.51 120.60 1gks h ILE 7 Ca 0.27 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1gks h ILE 7 Cb 0.13 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1gks h ILE 7 CO -0.15 0.51 -0.12 -0.46 0.00 0.00 0.00 178.15 177.92 1gks n ASN 8 N -4.67 0.60 0.09 1.72 0.23 0.22 -4.58 115.26 108.87 1gks n ASN 8 Ca -0.10 -0.02 -0.12 0.00 -0.53 0.00 0.00 54.58 53.81 1gks n ASN 8 Cb 0.42 0.17 -0.08 0.00 -2.08 0.00 0.00 39.78 38.20 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1gks h GLY 9 N 0.00 0.26 -1.77 4.83 0.00 0.01 -3.46 103.07 102.94 1gks h GLY 9 Ca 0.00 -0.56 -0.49 0.00 0.00 0.00 0.00 47.33 46.27 1gks h GLY 9 CO 0.00 0.50 0.38 -0.51 0.00 0.00 0.00 176.54 176.91 1gks s THR 10 N -2.92 3.72 -0.18 4.70 -4.23 0.34 -4.99 115.64 112.07 1gks s THR 10 Ca -0.03 0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 61.28 1gks s THR 10 Cb 0.09 -3.35 0.07 0.00 1.34 0.00 0.00 72.50 70.65 1gks s THR 10 CO 0.86 -0.45 0.15 0.00 -0.54 0.00 0.00 174.62 174.63 1gks s ALA 11 N -2.37 0.10 0.67 3.99 0.00 -1.26 -2.72 121.76 120.17 1gks s ALA 11 Ca 0.65 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 1gks s ALA 11 Cb -0.17 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1gks s ALA 11 CO 0.36 -1.17 0.89 -2.30 0.00 0.00 0.00 175.76 173.54 1gks n PRO 12 N 5.30 0.62 -2.06 0.00 -0.02 -1.26 -4.75 135.00 132.82 1gks n PRO 12 Ca -0.06 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 1gks n PRO 12 Cb 0.49 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.71 3.48 0.17 3.45 -4.23 -1.10 -4.93 115.64 110.77 1gks s THR 13 Ca 0.73 0.79 -0.15 0.00 -1.18 0.00 0.00 61.69 61.89 1gks s THR 13 Cb -0.37 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.02 1gks s THR 13 CO 0.50 -0.03 1.73 0.00 -0.54 0.00 0.00 174.62 176.28 1gks n SER 15 N -5.07 -0.79 -0.44 0.00 3.41 -0.98 -0.88 113.62 108.86 1gks n SER 15 Ca 0.03 1.75 0.37 0.00 -0.26 0.00 0.00 58.87 60.76 1gks n SER 15 Cb 0.18 -0.34 0.65 0.00 -0.26 0.00 0.00 64.21 64.44 1gks n SER 15 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gks h SER 16 N 0.00 0.24 0.00 4.04 0.02 -1.81 0.20 113.55 116.24 1gks h SER 16 Ca 0.28 0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 61.25 1gks h SER 16 Cb 0.53 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1gks h SER 16 CO -0.97 -0.21 -1.40 0.00 -1.14 0.00 0.00 176.83 173.11 1gks h HIS 18 N -0.94 0.38 -0.21 0.00 3.86 -0.82 0.38 115.15 117.80 1gks h HIS 18 Ca -0.20 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 58.76 1gks h HIS 18 Cb 1.13 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 1gks h HIS 18 CO -0.31 0.65 -0.49 0.22 0.86 0.00 0.00 177.93 178.86 1gks h ASP 19 N 0.29 0.63 1.14 2.45 3.58 -0.79 -3.10 116.42 120.62 1gks h ASP 19 Ca 0.03 -0.32 -0.17 0.00 0.42 0.00 0.00 57.03 57.00 1gks h ASP 19 Cb 0.77 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1gks h ASP 19 CO 0.06 1.02 -0.89 0.03 -2.88 0.00 0.00 179.24 176.58 1gks h ARG 20 N 0.46 0.00 -1.40 0.28 2.47 -1.58 -3.47 114.38 111.13 1gks h ARG 20 Ca 0.02 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.60 1gks h ARG 20 Cb 1.02 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.35 1gks h ARG 20 CO 0.09 0.66 -0.20 0.41 0.56 0.00 0.00 179.97 181.49 1gks n GLY 21 N 1.32 0.15 3.77 0.04 0.00 0.12 -4.98 105.19 105.61 1gks n GLY 21 Ca -0.02 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.53 2.07 -1.07 1.61 0.11 -0.62 -1.56 120.40 118.41 1gks s VAL 22 Ca 0.05 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1gks s VAL 22 Cb -0.02 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1gks s VAL 22 CO 0.06 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 171.84 1gks n ALA 23 N 0.09 -0.76 -1.68 1.54 0.00 -1.26 -0.62 120.51 117.82 1gks n ALA 23 Ca 0.03 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1gks n ALA 23 Cb 0.41 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.79 0.59 3.70 0.00 0.00 -0.60 -4.91 105.19 103.19 1gks n GLY 24 Ca -0.15 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.02 1.76 -1.75 4.61 0.00 0.20 -4.87 120.51 120.44 1gks n ALA 25 Ca -0.10 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1gks n ALA 25 Cb 0.43 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 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 -0.34 4.15 0.63 0.00 0.04 -1.26 -4.47 135.00 133.74 1gks s PRO 26 Ca 0.67 2.54 -0.01 0.00 0.04 0.00 0.00 61.00 64.25 1gks s PRO 26 Cb -0.58 -3.63 0.07 0.00 0.04 0.00 0.00 34.50 30.40 1gks s PRO 26 CO 0.48 -0.83 0.89 -1.21 0.04 0.00 0.00 177.00 176.37 1gks s GLU 27 N 2.83 2.18 0.84 4.56 2.02 -1.26 -4.84 118.70 125.03 1gks s GLU 27 Ca 0.80 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.87 1gks s GLU 27 Cb -0.45 -2.38 0.10 0.00 0.10 0.00 0.00 34.13 31.50 1gks s GLU 27 CO 0.36 -1.05 1.11 -0.51 0.02 0.00 0.00 175.26 175.19 1gks s LEU 28 N -4.97 2.90 -1.17 1.80 2.01 -1.26 -3.88 118.68 114.11 1gks s LEU 28 Ca 0.61 1.96 -0.05 0.00 0.01 0.00 0.00 54.13 56.66 1gks s LEU 28 Cb -0.09 -4.50 0.01 0.00 0.01 0.00 0.00 46.19 41.62 1gks s LEU 28 CO 0.41 -2.53 0.09 -0.46 1.01 0.00 0.00 176.35 174.88 1gks n ASN 29 N -3.85 0.09 -3.19 2.29 6.94 -1.23 -4.88 115.26 111.43 1gks n ASN 29 Ca 0.10 -1.01 -0.20 0.00 -0.02 0.00 0.00 54.58 53.45 1gks n ASN 29 Cb 0.53 -1.25 -0.05 0.00 -2.36 0.00 0.00 39.78 36.66 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 -3.88 2.15 -0.35 -2.53 0.00 -1.25 -4.96 120.51 109.68 1gks n ALA 30 Ca -0.23 -3.38 0.11 0.00 0.00 0.00 0.00 53.44 49.93 1gks n ALA 30 Cb 0.53 -0.88 0.22 0.00 0.00 0.00 0.00 19.45 19.31 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 0.75 -0.08 -0.20 0.00 -0.02 -1.26 -0.33 135.00 133.85 1gks n PRO 31 Ca 0.23 1.52 0.18 0.00 -2.02 0.00 0.00 63.50 63.41 1gks n PRO 31 Cb 0.61 -2.34 0.52 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.38 0.00 -0.52 9.09 -1.99 0.20 114.58 121.74 1gks h GLU 32 Ca 0.54 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.89 1gks h GLU 32 Cb 0.99 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.00 1gks h GLU 32 CO -0.98 0.25 -0.19 -0.44 0.05 0.00 0.00 179.01 177.71 1gks h ASP 33 N 0.40 0.00 0.00 3.06 5.19 -1.05 -3.26 116.42 120.75 1gks h ASP 33 Ca 0.42 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.57 1gks h ASP 33 Cb 1.04 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.50 1gks h ASP 33 CO -0.14 0.19 -1.99 0.79 -3.12 0.00 0.00 179.24 174.97 1gks n TRP 34 N -3.66 0.00 -0.31 4.55 7.02 0.24 -4.63 117.44 120.65 1gks n TRP 34 Ca -0.01 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.52 1gks n TRP 34 Cb 0.32 -0.71 0.12 0.00 -2.42 0.00 0.00 31.31 28.62 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 -2.52 0.19 0.21 6.99 0.00 0.43 -0.28 120.51 125.53 1gks n ALA 35 Ca -0.23 0.93 0.12 0.00 0.00 0.00 0.00 53.44 54.26 1gks n ALA 35 Cb 0.95 -0.56 0.13 0.00 0.00 0.00 0.00 19.45 19.98 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 -4.23 0.00 5.19 -1.84 -3.47 116.42 112.07 1gks h ASP 36 Ca 0.40 -0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.32 1gks h ASP 36 Cb 0.62 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.16 1gks h ASP 36 CO -0.88 0.00 0.38 -0.13 -3.12 0.00 0.00 179.24 175.49 1gks s ARG 37 N -3.25 3.76 -0.28 3.56 0.52 0.62 -4.96 118.95 118.92 1gks s ARG 37 Ca 0.05 0.81 -0.33 0.00 -0.52 0.00 0.00 55.73 55.74 1gks s ARG 37 Cb 0.07 -2.13 -0.09 0.00 0.52 0.00 0.00 34.95 33.31 1gks s ARG 37 CO 0.70 -0.40 2.16 -2.30 0.02 0.00 0.00 175.30 175.48 1gks n PRO 38 N -2.15 1.47 0.14 3.54 -0.02 -1.26 -4.83 135.00 131.90 1gks n PRO 38 Ca 0.06 0.42 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 1gks n PRO 38 Cb 0.54 -2.73 0.52 0.00 -0.02 0.00 0.00 33.50 31.81 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 12.86 0.20 -1.42 2.55 0.02 -1.91 -3.42 113.55 122.43 1gks h SER 39 Ca -0.34 -0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.10 1gks h SER 39 Cb 1.29 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1gks h SER 39 CO 0.99 0.19 1.62 -1.20 -1.14 0.00 0.00 176.83 177.30 1gks n SER 40 N -4.46 2.17 -0.34 3.07 7.64 -1.26 -4.85 113.62 115.58 1gks n SER 40 Ca -0.00 -0.29 0.13 0.00 1.01 0.00 0.00 58.87 59.72 1gks n SER 40 Cb 0.12 -1.48 0.32 0.00 -1.01 0.00 0.00 64.21 62.16 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 7.64 0.66 -0.67 0.44 2.07 -1.99 0.18 116.25 124.59 1gks h VAL 41 Ca -0.24 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.17 1gks h VAL 41 Cb 1.27 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1gks h VAL 41 CO 1.16 0.13 0.45 -2.24 0.02 0.00 0.00 177.57 177.09 1gks h ASP 42 N 0.70 0.34 0.00 0.57 2.03 -1.95 0.67 116.42 118.78 1gks h ASP 42 Ca 0.58 0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 56.87 1gks h ASP 42 Cb 0.95 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.39 1gks h ASP 42 CO -0.41 0.19 -0.13 -0.33 -1.03 0.00 0.00 179.24 177.53 1gks h GLU 43 N 0.37 0.00 -0.82 4.15 5.08 -1.05 -3.35 114.58 118.95 1gks h GLU 43 Ca 0.32 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.87 1gks h GLU 43 Cb 0.75 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.89 1gks h GLU 43 CO -0.09 0.97 0.30 -0.07 -1.00 0.00 0.00 179.01 179.12 1gks h LEU 44 N -1.00 0.20 -0.80 1.33 3.38 -0.55 0.13 115.31 118.00 1gks h LEU 44 Ca -0.04 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1gks h LEU 44 Cb 1.00 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1gks h LEU 44 CO -0.02 0.00 0.49 -0.37 0.09 0.00 0.00 178.44 178.63 1gks h VAL 45 N 0.36 1.03 -0.46 1.22 -1.51 -1.04 0.11 116.25 115.96 1gks h VAL 45 Ca 0.49 -0.31 -0.05 0.00 -1.23 0.00 0.00 66.70 65.60 1gks h VAL 45 Cb 0.87 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.06 1gks h VAL 45 CO -0.51 0.16 0.11 -0.33 -1.23 0.00 0.00 177.57 175.77 1gks h GLU 46 N 0.90 0.74 -0.95 5.19 4.39 -0.93 0.14 114.58 124.07 1gks h GLU 46 Ca 0.35 -0.18 0.10 0.00 0.34 0.00 0.00 59.36 59.97 1gks h GLU 46 Cb 0.16 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.63 1gks h GLU 46 CO -0.17 0.74 0.58 0.77 -1.16 0.00 0.00 179.01 179.78 1gks h SER 47 N 0.62 0.87 0.33 1.42 0.02 -0.40 0.18 113.55 116.58 1gks h SER 47 Ca 0.14 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1gks h SER 47 Cb 0.33 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1gks h SER 47 CO 0.00 0.49 -0.16 0.74 -1.14 0.00 0.00 176.83 176.76 1gks h THR 48 N 0.96 0.60 -0.92 -2.27 2.02 -0.03 0.14 112.91 113.42 1gks h THR 48 Ca 0.45 -0.66 0.11 0.00 0.77 0.00 0.00 66.41 67.08 1gks h THR 48 Cb 0.39 0.90 -0.08 0.00 -1.74 0.00 0.00 68.15 67.63 1gks h THR 48 CO -0.24 0.11 0.56 -0.07 0.37 0.00 0.00 175.52 176.25 1gks h LEU 49 N -0.85 0.81 -0.16 2.58 3.38 -0.54 -1.33 115.31 119.20 1gks h LEU 49 Ca -0.05 0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1gks h LEU 49 Cb 0.52 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1gks h LEU 49 CO 0.07 0.45 -0.97 0.00 0.09 0.00 0.00 178.44 178.08 1gks h ALA 50 N 1.50 0.38 0.00 1.53 0.00 -0.64 0.80 119.26 122.82 1gks h ALA 50 Ca 0.45 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1gks h ALA 50 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gks h ALA 50 CO -0.26 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1gks n GLY 51 N 1.02 0.78 3.64 0.00 0.00 0.49 -4.05 105.19 107.07 1gks n GLY 51 Ca -0.06 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.70 0.46 5.75 1.61 2.20 -0.46 -4.81 119.74 121.79 1gks s LYS 52 Ca 0.00 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1gks s LYS 52 Cb 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 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 3.85 3.02 0.27 5.54 0.00 -1.26 -0.41 105.19 116.20 1gks n GLY 53 Ca -0.19 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.85 1.48 -2.20 4.61 0.00 -1.96 -3.43 119.26 116.90 1gks h ALA 54 Ca 0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 1gks h ALA 54 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gks h ALA 54 CO 0.00 0.09 1.20 1.41 0.00 0.00 0.00 179.25 181.95 1gks s MET 55 N -4.48 3.93 0.67 0.00 0.00 0.45 -4.98 119.30 114.89 1gks s MET 55 Ca -0.04 2.17 -0.14 0.00 0.00 0.00 0.00 55.69 57.69 1gks s MET 55 Cb 0.14 -4.11 0.00 0.00 0.00 0.00 0.00 34.83 30.87 1gks s MET 55 CO 0.59 -1.16 1.09 -1.25 0.00 0.00 0.00 175.02 174.28 1gks s PRO 56 N 4.64 2.84 -0.14 4.11 0.04 -1.26 -1.35 135.00 143.89 1gks s PRO 56 Ca 0.81 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1gks s PRO 56 Cb -0.34 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1gks s PRO 56 CO 0.34 -1.20 1.97 0.00 0.04 0.00 0.00 177.00 178.16 1gks s ALA 57 N -2.58 3.15 -0.73 8.56 0.00 -1.26 -4.22 121.76 124.68 1gks s ALA 57 Ca 0.64 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.68 1gks s ALA 57 Cb -0.18 -3.94 0.87 0.00 0.00 0.00 0.00 23.12 19.87 1gks s ALA 57 CO 0.45 -2.18 1.66 0.66 0.00 0.00 0.00 175.76 176.36 1gks n TYR 58 N 9.47 0.49 -1.09 0.00 4.02 0.07 -4.87 117.16 125.25 1gks n TYR 58 Ca 0.24 0.18 -0.52 0.00 -0.01 0.00 0.00 57.90 57.79 1gks n TYR 58 Cb 0.44 -0.79 -0.10 0.00 -0.02 0.00 0.00 39.34 38.87 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 -1.93 0.64 0.00 7.72 2.03 -0.02 -0.25 116.55 124.74 1gks n ASP 59 Ca 0.04 0.58 0.00 0.00 0.52 0.00 0.00 54.79 55.92 1gks n ASP 59 Cb 0.25 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 6.47 3.22 0.08 0.27 0.00 -1.26 -4.92 105.19 109.05 1gks n GLY 60 Ca 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 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 2.54 -0.07 -6.62 1.61 3.08 -0.96 -3.46 114.38 110.50 1gks h ARG 61 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.36 1gks h ARG 61 Cb 0.00 0.02 -0.28 0.00 0.08 0.00 0.00 29.97 29.78 1gks h ARG 61 CO 0.00 0.18 -0.88 0.00 -1.07 0.00 0.00 179.97 178.20 1gks s ALA 62 N -2.71 2.23 0.40 0.04 0.00 -1.23 -4.87 121.76 115.62 1gks s ALA 62 Ca -0.06 -1.15 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 1gks s ALA 62 Cb -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 23.12 22.45 1gks s ALA 62 CO 0.20 0.53 0.90 0.34 0.00 0.00 0.00 175.76 177.73 1gks s ASP 63 N -0.81 6.89 0.09 0.00 2.15 -1.26 -4.79 116.67 118.94 1gks s ASP 63 Ca 0.11 1.58 -0.05 0.00 0.43 0.00 0.00 52.55 54.62 1gks s ASP 63 Cb -0.10 -2.50 0.13 0.00 -0.30 0.00 0.00 42.92 40.15 1gks s ASP 63 CO 0.00 -0.32 0.57 -1.14 -0.17 0.00 0.00 175.17 174.11 1gks n ARG 64 N -0.59 -0.06 -0.03 4.34 3.00 -1.26 0.28 116.66 122.34 1gks n ARG 64 Ca 0.06 0.57 -0.11 0.00 -0.00 0.00 0.00 57.85 58.37 1gks n ARG 64 Cb 0.54 -0.85 -0.05 0.00 0.00 0.00 0.00 32.46 32.10 1gks n ARG 64 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1gks h GLU 65 N 0.00 0.21 0.31 -0.14 5.08 -1.98 0.14 114.58 118.20 1gks h GLU 65 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1gks h GLU 65 Cb 0.24 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1gks h GLU 65 CO -0.37 0.27 -0.39 -0.44 -1.00 0.00 0.00 179.01 177.08 1gks h ASP 66 N 0.11 -1.07 -0.12 1.42 3.32 -0.53 -0.53 116.42 119.02 1gks h ASP 66 Ca 0.05 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1gks h ASP 66 Cb 0.12 0.37 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 1gks h ASP 66 CO -0.01 -0.51 -0.50 -0.07 -1.72 0.00 0.00 179.24 176.44 1gks h LEU 67 N -0.74 -1.56 -0.39 1.55 3.38 -0.94 0.79 115.31 117.39 1gks h LEU 67 Ca -0.01 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1gks h LEU 67 Cb 0.69 0.62 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 1gks h LEU 67 CO -0.11 -0.47 -0.46 0.58 0.09 0.00 0.00 178.44 178.07 1gks h VAL 68 N -0.56 0.09 -0.92 1.22 2.07 -0.57 0.14 116.25 117.72 1gks h VAL 68 Ca 0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1gks h VAL 68 Cb 0.67 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1gks h VAL 68 CO -0.42 0.00 0.60 0.11 0.02 0.00 0.00 177.57 177.88 1gks h LYS 69 N -0.35 1.13 -0.43 1.57 1.57 -0.51 0.19 116.57 119.74 1gks h LYS 69 Ca 0.12 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1gks h LYS 69 Cb 0.59 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1gks h LYS 69 CO -0.57 0.75 0.12 0.00 -0.57 0.00 0.00 179.45 179.17 1gks h ALA 70 N 1.38 0.56 -0.22 3.86 0.00 0.14 -0.60 119.26 124.38 1gks h ALA 70 Ca 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1gks h ALA 70 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1gks h ALA 70 CO -0.12 0.23 -0.03 0.82 0.00 0.00 0.00 179.25 180.15 1gks h ILE 71 N 0.55 1.27 -0.35 0.00 2.04 -0.21 0.71 117.51 121.52 1gks h ILE 71 Ca 0.14 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.08 1gks h ILE 71 Cb 0.29 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 1gks h ILE 71 CO -0.00 0.30 0.01 -0.33 0.00 0.00 0.00 178.15 178.12 1gks h GLU 72 N 0.15 0.10 0.19 2.37 5.08 -0.53 0.97 114.58 122.91 1gks h GLU 72 Ca 0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1gks h GLU 72 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1gks h GLU 72 CO 0.02 0.07 -0.22 -0.92 -1.00 0.00 0.00 179.01 176.96 1gks h TYR 73 N 0.10 -0.58 -0.17 4.33 3.20 -0.87 0.17 116.97 123.16 1gks h TYR 73 Ca 0.17 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1gks h TYR 73 Cb 0.23 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1gks h TYR 73 CO -0.24 -0.32 -0.02 0.00 -1.64 0.00 0.00 178.16 175.94 1gks h MET 74 N -0.45 0.03 -0.67 1.82 -0.00 -0.22 -0.85 114.93 114.59 1gks h MET 74 Ca 0.01 -0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.74 1gks h MET 74 Cb 0.44 -0.01 -0.04 0.00 -0.00 0.00 0.00 31.60 31.99 1gks h MET 74 CO -0.07 0.02 0.44 -0.07 -0.00 0.00 0.00 176.91 177.23 1gks h LEU 75 N 0.03 0.68 0.00 -0.10 4.07 -0.71 -2.08 115.31 117.20 1gks h LEU 75 Ca 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1gks h LEU 75 Cb 0.11 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1gks h LEU 75 CO -0.15 0.47 0.00 -0.24 -1.08 0.00 0.00 178.44 177.44 1gks n SER 76 N -4.46 0.00 0.02 -0.43 2.88 0.60 -0.97 113.62 111.25 1gks n SER 76 Ca 0.08 0.21 0.12 0.00 -1.33 0.00 0.00 58.87 57.94 1gks n SER 76 Cb 0.14 -0.28 0.12 0.00 -0.75 0.00 0.00 64.21 63.44 1gks n SER 76 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1gks n THR 77 N -1.28 0.11 1.93 2.46 -2.24 -0.78 -5.06 114.28 109.42 1gks n THR 77 Ca 0.03 -0.12 0.15 0.00 -2.27 0.00 0.00 64.05 61.84 1gks n THR 77 Cb 0.04 0.27 0.92 0.00 -2.10 0.00 0.00 70.33 69.46 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68