#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 1.63 -0.00 0.44 0.00 -1.95 0.32 103.07 103.51 1gks h GLY 2 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.20 1gks h GLY 2 CO 0.00 -0.29 -0.36 0.83 0.00 0.00 0.00 176.54 176.72 1gks h GLU 3 N 0.41 -0.37 -0.10 4.80 3.07 -1.91 0.09 114.58 120.57 1gks h GLU 3 Ca 0.59 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.50 1gks h GLU 3 Cb 1.15 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.11 1gks h GLU 3 CO -0.54 -0.24 -0.06 0.77 -1.40 0.00 0.00 179.01 177.54 1gks h SER 4 N -0.38 -0.19 0.07 1.42 0.02 -0.85 0.12 113.55 113.77 1gks h SER 4 Ca 0.11 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1gks h SER 4 Cb 0.57 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 1gks h SER 4 CO -0.43 -0.08 -0.50 0.40 -1.14 0.00 0.00 176.83 175.08 1gks h ILE 5 N -0.05 0.00 -0.02 3.27 1.08 -0.69 0.19 117.51 121.28 1gks h ILE 5 Ca 0.06 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 1gks h ILE 5 Cb 0.14 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.86 1gks h ILE 5 CO -0.14 0.00 -0.17 0.22 -0.69 0.00 0.00 178.15 177.37 1gks h TYR 6 N -0.68 -0.45 -0.12 1.37 5.03 -0.82 -0.25 116.97 121.05 1gks h TYR 6 Ca 0.00 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 1gks h TYR 6 Cb 0.70 0.20 -0.00 0.00 1.55 0.00 0.00 36.73 39.18 1gks h TYR 6 CO -0.47 -0.25 -0.04 0.82 -1.32 0.00 0.00 178.16 176.90 1gks h ILE 7 N -0.27 1.30 0.00 1.81 2.04 -0.56 -2.41 117.51 119.42 1gks h ILE 7 Ca 0.06 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1gks h ILE 7 Cb 0.35 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1gks h ILE 7 CO -0.18 0.29 -0.02 -3.20 0.00 0.00 0.00 178.15 175.04 1gks n ASN 8 N -4.72 0.00 -1.84 1.72 2.85 0.15 -4.60 115.26 108.82 1gks n ASN 8 Ca -0.06 -1.04 -0.20 0.00 -0.11 0.00 0.00 54.58 53.17 1gks n ASN 8 Cb 0.26 -0.01 0.13 0.00 1.24 0.00 0.00 39.78 41.40 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 0.00 5.38 3.08 8.20 0.00 0.42 -4.96 105.19 117.31 1gks n GLY 9 Ca 0.00 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.94 0.28 -0.21 2.61 -4.23 -1.13 -4.67 115.64 104.35 1gks s THR 10 Ca 0.54 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 1gks s THR 10 Cb 0.45 -1.26 0.07 0.00 1.34 0.00 0.00 72.50 73.10 1gks s THR 10 CO 0.02 -0.86 0.07 0.00 -0.54 0.00 0.00 174.62 173.31 1gks s ALA 11 N -3.29 0.84 0.84 3.99 0.00 -1.26 -2.65 121.76 120.22 1gks s ALA 11 Ca 0.03 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1gks s ALA 11 Cb 0.03 -1.21 0.10 0.00 0.00 0.00 0.00 23.12 22.04 1gks s ALA 11 CO -0.07 -1.28 1.13 -1.25 0.00 0.00 0.00 175.76 174.29 1gks s PRO 12 N 1.95 1.62 -0.11 0.00 0.04 -1.26 -4.77 135.00 132.47 1gks s PRO 12 Ca 0.02 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 1gks s PRO 12 Cb -0.17 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1gks s PRO 12 CO -0.14 -2.16 1.63 0.95 0.04 0.00 0.00 177.00 177.32 1gks s THR 13 N -2.65 3.65 0.23 1.26 -4.23 -1.09 -4.91 115.64 107.91 1gks s THR 13 Ca 0.66 0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 61.85 1gks s THR 13 Cb -0.21 -3.55 0.27 0.00 1.34 0.00 0.00 72.50 70.35 1gks s THR 13 CO 0.55 -0.12 1.63 0.00 -0.54 0.00 0.00 174.62 176.14 1gks h SER 15 N 0.06 -0.03 -0.42 0.00 4.64 -1.68 0.38 113.55 116.50 1gks h SER 15 Ca 0.38 0.20 0.12 0.00 -0.47 0.00 0.00 61.79 62.02 1gks h SER 15 Cb 0.63 0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1gks h SER 15 CO -0.67 -0.16 0.43 0.28 -0.87 0.00 0.00 176.83 175.84 1gks h SER 16 N 0.20 0.00 0.00 4.97 0.02 -1.44 0.15 113.55 117.44 1gks h SER 16 Ca 0.54 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.43 1gks h SER 16 Cb 1.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1gks h SER 16 CO -0.66 0.00 -1.05 0.00 -1.14 0.00 0.00 176.83 173.98 1gks h HIS 18 N -0.80 0.65 -0.33 0.00 3.86 -0.92 0.37 115.15 117.99 1gks h HIS 18 Ca -0.10 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 58.85 1gks h HIS 18 Cb 0.92 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 1gks h HIS 18 CO -0.30 0.74 -0.31 0.22 0.86 0.00 0.00 177.93 179.14 1gks h ASP 19 N 0.52 0.85 1.10 2.45 3.58 -0.90 -3.11 116.42 120.91 1gks h ASP 19 Ca 0.08 -0.46 -0.19 0.00 0.42 0.00 0.00 57.03 56.88 1gks h ASP 19 Cb 0.63 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 1gks h ASP 19 CO 0.04 1.14 -0.91 0.03 -2.88 0.00 0.00 179.24 176.66 1gks h ARG 20 N 0.57 0.00 -0.55 0.28 3.08 -1.61 -3.47 114.38 112.67 1gks h ARG 20 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1gks h ARG 20 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1gks h ARG 20 CO 0.08 0.85 0.00 0.41 -1.07 0.00 0.00 179.97 180.23 1gks n GLY 21 N 1.33 0.97 3.68 0.04 0.00 0.11 -5.01 105.19 106.31 1gks n GLY 21 Ca -0.00 -0.45 -0.46 0.00 0.00 0.00 0.00 46.02 45.10 1gks n GLY 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gks n VAL 22 N -1.76 0.28 -2.87 1.61 0.31 0.12 -0.59 118.33 115.42 1gks n VAL 22 Ca 0.00 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.10 1gks n VAL 22 Cb 0.32 -1.77 -0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1gks n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gks n ALA 23 N 5.00 -0.92 -1.68 3.52 0.00 -1.26 -0.55 120.51 124.62 1gks n ALA 23 Ca 0.19 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.65 1gks n ALA 23 Cb 0.31 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 -1.02 0.62 3.56 0.00 0.00 0.24 -4.95 105.19 103.64 1gks n GLY 24 Ca -0.09 -0.54 -0.48 0.00 0.00 0.00 0.00 46.02 44.91 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 0.01 1.17 -1.30 4.61 0.00 0.29 -4.76 120.51 120.53 1gks n ALA 25 Ca -0.11 0.01 -0.53 0.00 0.00 0.00 0.00 53.44 52.81 1gks n ALA 25 Cb 0.44 -2.62 -0.09 0.00 0.00 0.00 0.00 19.45 17.18 1gks n ALA 25 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1gks n PRO 26 N 7.81 0.00 -2.16 0.00 -0.02 -1.26 -4.36 135.00 135.01 1gks n PRO 26 Ca 0.32 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.53 1gks n PRO 26 Cb 0.30 -1.22 0.11 0.00 -0.02 0.00 0.00 33.50 32.67 1gks n PRO 26 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1gks s GLU 27 N 3.23 1.63 0.71 -0.52 8.01 -1.26 -4.82 118.70 125.68 1gks s GLU 27 Ca 0.90 -0.41 -0.11 0.00 0.01 0.00 0.00 54.97 55.35 1gks s GLU 27 Cb -1.22 -2.08 0.02 0.00 -4.31 0.00 0.00 34.13 26.53 1gks s GLU 27 CO 0.63 -1.66 1.07 -0.51 0.01 0.00 0.00 175.26 174.80 1gks s LEU 28 N -5.45 3.14 -0.85 1.80 2.01 -1.26 -3.77 118.68 114.29 1gks s LEU 28 Ca 0.65 1.69 0.00 0.00 0.01 0.00 0.00 54.13 56.48 1gks s LEU 28 Cb -0.08 -4.51 0.00 0.00 0.01 0.00 0.00 46.19 41.62 1gks s LEU 28 CO 0.47 -1.57 0.00 0.59 1.01 0.00 0.00 176.35 176.85 1gks n ASN 29 N -3.13 -3.32 -3.06 2.29 5.03 -1.23 -4.88 115.26 106.96 1gks n ASN 29 Ca 0.08 0.25 -0.25 0.00 0.87 0.00 0.00 54.58 55.54 1gks n ASN 29 Cb 0.53 -2.86 -0.04 0.00 -1.02 0.00 0.00 39.78 36.39 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 -2.20 3.96 -0.32 5.41 0.00 -1.25 -4.94 120.51 121.17 1gks n ALA 30 Ca -0.12 -4.39 0.18 0.00 0.00 0.00 0.00 53.44 49.11 1gks n ALA 30 Cb 0.58 -0.80 0.37 0.00 0.00 0.00 0.00 19.45 19.61 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 3.16 0.27 -1.01 0.00 0.13 -1.90 0.14 132.00 132.80 1gks h PRO 31 Ca 0.13 -0.02 0.23 0.00 -0.87 0.00 0.00 66.00 65.47 1gks h PRO 31 Cb 0.63 -0.06 -0.12 0.00 0.13 0.00 0.00 31.00 31.59 1gks h PRO 31 CO 0.74 0.18 0.61 0.93 -0.23 0.00 0.00 178.00 180.23 1gks h GLU 32 N 0.28 0.60 0.00 0.86 4.39 -1.98 0.29 114.58 119.02 1gks h GLU 32 Ca 0.63 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.26 1gks h GLU 32 Cb 1.35 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1gks h GLU 32 CO -0.63 0.40 -0.20 -0.44 -1.16 0.00 0.00 179.01 176.98 1gks h ASP 33 N 0.62 0.00 0.00 1.42 3.32 -1.09 -3.24 116.42 117.45 1gks h ASP 33 Ca 0.62 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.58 1gks h ASP 33 Cb 1.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1gks h ASP 33 CO -0.43 0.20 -1.82 0.79 -1.72 0.00 0.00 179.24 176.26 1gks n TRP 34 N -3.58 0.00 -0.29 4.55 7.02 0.40 -4.72 117.44 120.81 1gks n TRP 34 Ca -0.01 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.50 1gks n TRP 34 Cb 0.34 -0.48 0.09 0.00 -2.42 0.00 0.00 31.31 28.84 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 -2.22 0.10 0.19 6.99 0.00 0.73 -0.25 120.51 126.06 1gks n ALA 35 Ca -0.10 0.85 0.08 0.00 0.00 0.00 0.00 53.44 54.28 1gks n ALA 35 Cb 0.60 -0.48 0.12 0.00 0.00 0.00 0.00 19.45 19.70 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 -4.11 0.00 5.19 -1.85 -3.47 116.42 112.18 1gks h ASP 36 Ca 0.35 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.30 1gks h ASP 36 Cb 0.55 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.08 1gks h ASP 36 CO -0.81 0.21 0.37 -0.13 -3.12 0.00 0.00 179.24 175.75 1gks s ARG 37 N -3.12 3.86 0.07 3.56 0.52 0.65 -4.99 118.95 119.50 1gks s ARG 37 Ca 0.06 1.19 -0.31 0.00 -0.52 0.00 0.00 55.73 56.15 1gks s ARG 37 Cb 0.06 -2.11 -0.08 0.00 0.52 0.00 0.00 34.95 33.34 1gks s ARG 37 CO 0.70 -0.36 1.63 -1.25 0.02 0.00 0.00 175.30 176.03 1gks s PRO 38 N -3.53 4.21 0.47 3.54 0.04 -1.26 -4.87 135.00 133.60 1gks s PRO 38 Ca 0.64 2.30 0.16 0.00 0.04 0.00 0.00 61.00 64.13 1gks s PRO 38 Cb -0.13 -3.58 1.12 0.00 0.04 0.00 0.00 34.50 31.95 1gks s PRO 38 CO 0.23 -0.71 2.05 0.66 0.04 0.00 0.00 177.00 179.27 1gks h SER 39 N 8.21 0.00 -1.25 6.66 4.64 -1.94 -3.42 113.55 126.45 1gks h SER 39 Ca -0.42 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.45 1gks h SER 39 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1gks h SER 39 CO 0.93 0.12 1.62 -1.20 -0.87 0.00 0.00 176.83 177.43 1gks n SER 40 N -4.34 1.89 -0.31 4.97 7.64 -1.26 -4.83 113.62 117.38 1gks n SER 40 Ca -0.03 -0.42 0.17 0.00 1.01 0.00 0.00 58.87 59.60 1gks n SER 40 Cb 0.20 -1.46 0.36 0.00 -1.01 0.00 0.00 64.21 62.30 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 7.76 0.36 -1.07 0.44 2.07 -1.98 0.80 116.25 124.63 1gks h VAL 41 Ca -0.19 -0.11 0.29 0.00 0.82 0.00 0.00 66.70 67.51 1gks h VAL 41 Cb 1.27 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 1gks h VAL 41 CO 1.20 0.06 0.67 0.44 0.02 0.00 0.00 177.57 179.96 1gks h ASP 42 N 0.32 0.47 0.00 0.57 5.19 -1.96 0.60 116.42 121.61 1gks h ASP 42 Ca 0.62 0.11 -0.18 0.00 -0.62 0.00 0.00 57.03 56.96 1gks h ASP 42 Cb 1.28 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.80 1gks h ASP 42 CO -0.60 0.03 -1.02 -0.33 -3.12 0.00 0.00 179.24 174.20 1gks h GLU 43 N 0.38 0.00 -0.92 3.56 3.07 -1.23 -3.37 114.58 116.07 1gks h GLU 43 Ca 0.65 0.00 0.23 0.00 -0.50 0.00 0.00 59.36 59.75 1gks h GLU 43 Cb 1.63 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.41 1gks h GLU 43 CO -0.38 0.91 0.43 -0.07 -1.40 0.00 0.00 179.01 178.50 1gks h LEU 44 N -1.00 0.38 -1.52 1.33 3.38 -0.87 0.17 115.31 117.18 1gks h LEU 44 Ca -0.27 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1gks h LEU 44 Cb 1.19 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1gks h LEU 44 CO -0.17 -0.00 -0.04 1.62 0.09 0.00 0.00 178.44 179.94 1gks h VAL 45 N 0.41 1.14 0.00 1.22 3.04 -1.08 -0.02 116.25 120.96 1gks h VAL 45 Ca 0.59 -0.57 -0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1gks h VAL 45 Cb 1.13 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1gks h VAL 45 CO -0.53 0.18 -0.00 -0.33 -1.01 0.00 0.00 177.57 175.88 1gks h GLU 46 N 0.25 -0.00 -0.59 4.17 4.39 -0.83 0.18 114.58 122.14 1gks h GLU 46 Ca 0.06 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.87 1gks h GLU 46 Cb 0.24 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.81 1gks h GLU 46 CO 0.01 0.23 0.08 0.77 -1.16 0.00 0.00 179.01 178.94 1gks h SER 47 N -0.23 -0.09 -0.04 1.42 0.02 -1.20 0.40 113.55 113.83 1gks h SER 47 Ca -0.00 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1gks h SER 47 Cb 0.23 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1gks h SER 47 CO 0.00 -0.03 0.02 0.74 -1.14 0.00 0.00 176.83 176.42 1gks h THR 48 N 0.21 1.08 -0.40 -2.27 2.02 -0.69 0.25 112.91 113.10 1gks h THR 48 Ca 0.31 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1gks h THR 48 Cb 0.47 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1gks h THR 48 CO -0.43 0.06 0.22 -0.07 0.37 0.00 0.00 175.52 175.67 1gks h LEU 49 N -0.03 0.51 -0.69 2.58 3.38 0.07 -2.87 115.31 118.27 1gks h LEU 49 Ca 0.01 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1gks h LEU 49 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1gks h LEU 49 CO -0.00 0.46 -0.63 0.00 0.09 0.00 0.00 178.44 178.35 1gks h ALA 50 N 1.07 0.90 0.00 1.53 0.00 -0.88 0.29 119.26 122.17 1gks h ALA 50 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gks h ALA 50 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1gks h ALA 50 CO -0.02 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1gks n GLY 51 N 0.30 1.94 3.03 0.00 0.00 0.86 -4.08 105.19 107.24 1gks n GLY 51 Ca -0.02 -1.88 -0.03 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 -2.93 0.46 6.79 1.61 2.20 0.12 -4.75 119.74 123.24 1gks s LYS 52 Ca 0.00 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 1gks s LYS 52 Cb 0.00 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 1gks s LYS 52 CO 0.00 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 1gks n GLY 53 N 5.39 2.53 0.14 5.54 0.00 -1.26 -0.53 105.19 117.00 1gks n GLY 53 Ca -0.02 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.00 0.94 -2.32 4.61 0.00 -1.98 -3.44 119.26 116.07 1gks h ALA 54 Ca 0.00 -0.58 -0.54 0.00 0.00 0.00 0.00 54.91 53.79 1gks h ALA 54 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1gks h ALA 54 CO 0.00 0.79 1.15 1.41 0.00 0.00 0.00 179.25 182.60 1gks s MET 55 N -3.58 4.16 0.63 0.00 0.00 0.31 -4.97 119.30 115.85 1gks s MET 55 Ca -0.01 2.40 -0.14 0.00 0.00 0.00 0.00 55.69 57.94 1gks s MET 55 Cb 0.12 -4.04 -0.02 0.00 0.00 0.00 0.00 34.83 30.89 1gks s MET 55 CO 0.77 -0.89 1.06 -1.25 0.00 0.00 0.00 175.02 174.70 1gks s PRO 56 N 4.14 3.18 0.26 4.11 0.04 -1.26 -0.70 135.00 144.77 1gks s PRO 56 Ca 0.80 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1gks s PRO 56 Cb -0.38 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 1gks s PRO 56 CO 0.35 -0.92 1.49 0.00 0.04 0.00 0.00 177.00 177.97 1gks s ALA 57 N -2.68 3.67 -0.61 8.56 0.00 -1.26 -4.20 121.76 125.24 1gks s ALA 57 Ca 0.61 1.41 0.21 0.00 0.00 0.00 0.00 51.96 54.19 1gks s ALA 57 Cb -0.15 -3.59 -0.27 0.00 0.00 0.00 0.00 23.12 19.11 1gks s ALA 57 CO 0.43 -0.82 0.72 0.66 0.00 0.00 0.00 175.76 176.75 1gks n TYR 58 N 2.27 0.00 -1.49 0.00 4.01 0.95 -4.87 117.16 118.02 1gks n TYR 58 Ca 0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.39 1gks n TYR 58 Cb 0.39 -0.19 -0.09 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.78 1.39 0.00 7.72 2.03 -0.72 -0.12 116.55 125.07 1gks n ASP 59 Ca 0.01 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1gks n ASP 59 Cb 0.41 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 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 2.90 0.18 0.27 0.00 -1.26 -4.88 105.19 108.81 1gks n GLY 60 Ca 0.50 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 0.66 -3.77 1.61 3.08 -0.86 -3.44 114.38 111.66 1gks h ARG 61 Ca 0.00 -0.78 -0.35 0.00 0.07 0.00 0.00 59.98 58.92 1gks h ARG 61 Cb 0.00 0.24 -0.34 0.00 0.08 0.00 0.00 29.97 29.95 1gks h ARG 61 CO 0.00 1.35 -0.75 0.00 -1.07 0.00 0.00 179.97 179.50 1gks s ALA 62 N -3.16 0.34 0.37 0.04 0.00 -0.45 -4.67 121.76 114.24 1gks s ALA 62 Ca -0.09 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 1gks s ALA 62 Cb 0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 23.12 22.77 1gks s ALA 62 CO 0.93 -0.05 0.95 0.34 0.00 0.00 0.00 175.76 177.93 1gks s ASP 63 N 0.93 7.14 0.09 0.00 2.15 -1.26 -4.41 116.67 121.31 1gks s ASP 63 Ca -0.10 1.79 -0.06 0.00 0.43 0.00 0.00 52.55 54.61 1gks s ASP 63 Cb -0.13 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 40.03 1gks s ASP 63 CO -0.01 -0.21 0.62 -1.14 -0.17 0.00 0.00 175.17 174.25 1gks n ARG 64 N 0.04 -0.08 -0.28 4.34 0.63 -1.26 0.46 116.66 120.51 1gks n ARG 64 Ca 0.04 0.61 -0.05 0.00 -0.92 0.00 0.00 57.85 57.54 1gks n ARG 64 Cb 0.52 -0.91 0.07 0.00 0.45 0.00 0.00 32.46 32.59 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 1.05 0.95 -0.14 5.08 -1.99 0.14 114.58 119.67 1gks h GLU 65 Ca 0.15 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1gks h GLU 65 Cb 0.24 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1gks h GLU 65 CO -0.40 0.73 -0.46 -0.44 -1.00 0.00 0.00 179.01 177.45 1gks h ASP 66 N 1.06 -1.08 -0.43 1.42 3.32 -0.35 -3.16 116.42 117.20 1gks h ASP 66 Ca 0.28 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.43 1gks h ASP 66 Cb -0.06 0.28 -0.09 0.00 0.22 0.00 0.00 39.33 39.69 1gks h ASP 66 CO -0.05 -0.76 -0.51 -0.07 -1.72 0.00 0.00 179.24 176.12 1gks h LEU 67 N -1.30 -1.70 -0.97 1.55 3.38 -0.92 -2.37 115.31 112.98 1gks h LEU 67 Ca -0.13 0.24 0.17 0.00 0.09 0.00 0.00 57.88 58.25 1gks h LEU 67 Cb 0.98 0.72 -0.17 0.00 0.09 0.00 0.00 40.66 42.28 1gks h LEU 67 CO 0.21 -0.39 -0.30 0.52 0.09 0.00 0.00 178.44 178.57 1gks n VAL 68 N -5.39 -0.45 -0.17 1.22 0.31 0.47 -0.16 118.33 114.17 1gks n VAL 68 Ca -0.02 2.24 -0.05 0.00 -0.01 0.00 0.00 64.34 66.50 1gks n VAL 68 Cb 0.35 -3.03 0.04 0.00 -0.91 0.00 0.00 33.84 30.28 1gks n VAL 68 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1gks h LYS 69 N 0.00 0.53 -0.17 5.55 1.57 -1.39 0.11 116.57 122.78 1gks h LYS 69 Ca 0.41 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1gks h LYS 69 Cb 0.65 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1gks h LYS 69 CO -0.98 0.35 0.04 0.00 -0.57 0.00 0.00 179.45 178.30 1gks h ALA 70 N 1.25 0.22 0.04 3.86 0.00 -0.47 -1.42 119.26 122.73 1gks h ALA 70 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1gks h ALA 70 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gks h ALA 70 CO -0.12 -0.14 -0.14 0.82 0.00 0.00 0.00 179.25 179.67 1gks h ILE 71 N 0.08 0.67 -0.92 0.00 2.04 -0.52 0.20 117.51 119.05 1gks h ILE 71 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1gks h ILE 71 Cb 0.25 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1gks h ILE 71 CO -0.00 0.00 0.52 1.05 0.00 0.00 0.00 178.15 179.72 1gks h GLU 72 N -0.25 1.27 -0.19 2.37 4.11 -0.80 -1.94 114.58 119.15 1gks h GLU 72 Ca 0.04 -0.14 0.03 0.00 0.07 0.00 0.00 59.36 59.36 1gks h GLU 72 Cb 0.29 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1gks h GLU 72 CO -0.11 0.92 -0.00 -0.92 0.07 0.00 0.00 179.01 178.97 1gks h TYR 73 N 1.28 -0.01 -0.11 2.06 3.20 -0.56 0.12 116.97 122.94 1gks h TYR 73 Ca 0.32 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.23 1gks h TYR 73 Cb 0.01 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1gks h TYR 73 CO 0.01 -0.03 -0.35 0.52 -1.64 0.00 0.00 178.16 176.67 1gks h MET 74 N 0.06 -0.34 -0.93 1.82 2.86 -0.12 -1.55 114.93 116.73 1gks h MET 74 Ca 0.09 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.95 1gks h MET 74 Cb 0.11 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.74 1gks h MET 74 CO -0.15 -0.23 0.49 -0.07 1.06 0.00 0.00 176.91 178.01 1gks h LEU 75 N -0.36 0.55 -0.25 1.22 4.07 -1.19 -0.18 115.31 119.16 1gks h LEU 75 Ca 0.02 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1gks h LEU 75 Cb 0.43 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1gks h LEU 75 CO -0.30 0.13 0.00 -1.20 -1.08 0.00 0.00 178.44 176.00 1gks n SER 76 N -4.91 0.12 0.04 -0.43 7.64 0.39 -1.23 113.62 115.23 1gks n SER 76 Ca 0.22 0.55 0.12 0.00 1.01 0.00 0.00 58.87 60.77 1gks n SER 76 Cb 0.60 -0.57 0.16 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.65 0.21 1.88 0.44 -2.24 -0.08 -5.06 114.28 107.78 1gks n THR 77 Ca 0.00 -0.19 0.15 0.00 -2.27 0.00 0.00 64.05 61.75 1gks n THR 77 Cb 0.04 0.06 0.89 0.00 -2.10 0.00 0.00 70.33 69.23 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68