#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 1.37 0.06 0.27 0.00 -1.97 -1.23 103.07 101.57 1gks h GLY 2 Ca 0.00 -0.41 0.17 0.00 0.00 0.00 0.00 47.33 47.09 1gks h GLY 2 CO 0.00 0.28 0.39 0.83 0.00 0.00 0.00 176.54 178.05 1gks h GLU 3 N 1.03 0.50 -0.97 4.80 4.39 -1.95 0.12 114.58 122.50 1gks h GLU 3 Ca 0.39 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.18 1gks h GLU 3 Cb 0.17 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.63 1gks h GLU 3 CO -0.17 0.33 0.61 0.77 -1.16 0.00 0.00 179.01 179.39 1gks h SER 4 N 0.51 0.87 0.20 1.42 0.02 -1.65 0.20 113.55 115.12 1gks h SER 4 Ca 0.49 0.04 -0.33 0.00 -0.84 0.00 0.00 61.79 61.14 1gks h SER 4 Cb 0.79 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.21 1gks h SER 4 CO -0.43 0.47 -1.60 0.40 -1.14 0.00 0.00 176.83 174.53 1gks h ILE 5 N 0.93 1.06 -0.59 3.27 2.04 -1.04 0.84 117.51 124.03 1gks h ILE 5 Ca 0.47 -2.55 -0.06 0.00 1.00 0.00 0.00 64.86 63.73 1gks h ILE 5 Cb 0.50 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 1gks h ILE 5 CO -0.24 0.82 0.14 0.22 0.00 0.00 0.00 178.15 179.09 1gks h TYR 6 N 0.05 1.01 -0.10 1.37 3.20 -0.52 -2.83 116.97 119.14 1gks h TYR 6 Ca -0.31 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.40 1gks h TYR 6 Cb 2.06 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 40.05 1gks h TYR 6 CO 0.12 0.86 -0.08 0.82 -1.64 0.00 0.00 178.16 178.23 1gks h ILE 7 N 0.87 1.35 0.00 1.81 2.04 -0.72 -3.27 117.51 119.58 1gks h ILE 7 Ca 0.19 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1gks h ILE 7 Cb 0.36 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1gks h ILE 7 CO 0.00 0.34 0.00 0.59 0.00 0.00 0.00 178.15 179.08 1gks n ASN 8 N -4.68 0.00 0.33 1.72 3.02 -0.07 -4.38 115.26 111.21 1gks n ASN 8 Ca -0.07 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.70 1gks n ASN 8 Cb 0.31 0.00 1.13 0.00 -0.61 0.00 0.00 39.78 40.61 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1gks h GLY 9 N 0.00 0.00 -1.26 7.41 0.00 -1.17 -3.44 103.07 104.61 1gks h GLY 9 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1gks h GLY 9 CO 0.00 0.00 0.04 2.41 0.00 0.00 0.00 176.54 178.99 1gks n THR 10 N -3.14 0.00 -3.71 4.70 -1.04 -1.26 -5.09 114.28 104.74 1gks n THR 10 Ca -0.03 -0.20 -0.17 0.00 -2.04 0.00 0.00 64.05 61.62 1gks n THR 10 Cb 0.10 -0.96 -0.16 0.00 -1.82 0.00 0.00 70.33 67.49 1gks n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gks s ALA 11 N -2.52 0.01 1.44 2.41 0.00 -1.26 -4.24 121.76 117.59 1gks s ALA 11 Ca 0.67 0.40 -0.23 0.00 0.00 0.00 0.00 51.96 52.80 1gks s ALA 11 Cb -0.24 -0.52 0.37 0.00 0.00 0.00 0.00 23.12 22.73 1gks s ALA 11 CO 0.62 -0.33 0.91 -2.14 0.00 0.00 0.00 175.76 174.82 1gks s PRO 12 N 1.69 -3.07 -0.42 0.00 0.02 -1.26 -5.09 135.00 126.86 1gks s PRO 12 Ca -0.02 0.17 -0.15 0.00 0.02 0.00 0.00 61.00 61.02 1gks s PRO 12 Cb -0.12 -1.36 0.03 0.00 0.02 0.00 0.00 34.50 33.07 1gks s PRO 12 CO -0.04 -4.98 0.32 0.95 -0.33 0.00 0.00 177.00 172.92 1gks s THR 13 N -2.21 5.23 0.22 0.99 -4.23 -1.26 -4.98 115.64 109.40 1gks s THR 13 Ca 0.68 -0.75 -0.18 0.00 -1.18 0.00 0.00 61.69 60.27 1gks s THR 13 Cb -0.14 -3.96 0.23 0.00 1.34 0.00 0.00 72.50 69.97 1gks s THR 13 CO 0.58 -0.36 1.56 0.00 -0.54 0.00 0.00 174.62 175.86 1gks h SER 15 N -0.04 -1.40 -1.00 0.00 4.64 -1.76 0.12 113.55 114.11 1gks h SER 15 Ca 0.33 0.26 0.23 0.00 -0.47 0.00 0.00 61.79 62.13 1gks h SER 15 Cb 0.59 0.67 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 1gks h SER 15 CO -0.91 -0.31 0.63 0.28 -0.87 0.00 0.00 176.83 175.65 1gks h SER 16 N -0.15 0.56 0.00 4.97 0.02 -1.68 0.23 113.55 117.50 1gks h SER 16 Ca 0.23 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1gks h SER 16 Cb 0.56 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1gks h SER 16 CO -0.76 0.16 -0.24 0.00 -1.14 0.00 0.00 176.83 174.86 1gks h HIS 18 N -1.00 0.95 -0.72 0.00 3.86 -0.69 0.27 115.15 117.83 1gks h HIS 18 Ca -0.01 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1gks h HIS 18 Cb 0.27 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1gks h HIS 18 CO -0.08 0.60 0.31 0.22 0.86 0.00 0.00 177.93 179.84 1gks h ASP 19 N 1.02 0.96 1.45 2.45 3.58 -0.76 -2.41 116.42 122.71 1gks h ASP 19 Ca 0.28 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 1gks h ASP 19 Cb -0.11 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.68 1gks h ASP 19 CO -0.06 0.84 -0.52 -0.09 -2.88 0.00 0.00 179.24 176.52 1gks h ARG 20 N 1.03 0.00 -1.07 0.28 9.65 -1.54 -3.48 114.38 119.25 1gks h ARG 20 Ca 0.24 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.97 1gks h ARG 20 Cb 0.16 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1gks h ARG 20 CO -0.03 0.52 -0.19 0.41 2.80 0.00 0.00 179.97 183.48 1gks n GLY 21 N 1.19 0.06 3.74 2.80 0.00 0.89 -4.97 105.19 108.91 1gks n GLY 21 Ca 0.02 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.01 1.69 -2.36 1.61 3.14 -0.86 -1.21 118.33 116.33 1gks n VAL 22 Ca -0.09 -0.42 -0.12 0.00 -2.96 0.00 0.00 64.34 60.74 1gks n VAL 22 Cb 0.57 -1.84 -0.01 0.00 -1.06 0.00 0.00 33.84 31.49 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 0.92 -0.74 -1.55 1.55 0.00 -1.26 -0.71 120.51 118.72 1gks n ALA 23 Ca 0.04 0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 1gks n ALA 23 Cb 0.37 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.76 0.56 3.70 0.00 0.00 -0.35 -4.87 105.19 103.47 1gks n GLY 24 Ca -0.15 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 0.16 2.36 -1.73 4.61 0.00 0.11 -4.87 120.51 121.14 1gks n ALA 25 Ca -0.07 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 1gks n ALA 25 Cb 0.34 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 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 1.22 4.15 0.83 0.00 0.04 -1.26 -4.37 135.00 135.61 1gks s PRO 26 Ca 0.77 2.55 -0.07 0.00 0.04 0.00 0.00 61.00 64.29 1gks s PRO 26 Cb -0.56 -3.92 0.16 0.00 0.04 0.00 0.00 34.50 30.22 1gks s PRO 26 CO 0.34 -0.89 1.14 -1.21 0.04 0.00 0.00 177.00 176.42 1gks s GLU 27 N 3.74 1.19 0.84 4.56 8.01 -1.26 -4.84 118.70 130.95 1gks s GLU 27 Ca 0.84 -0.85 -0.11 0.00 0.01 0.00 0.00 54.97 54.86 1gks s GLU 27 Cb -0.43 -2.12 0.10 0.00 -4.31 0.00 0.00 34.13 27.37 1gks s GLU 27 CO 0.38 -1.89 1.09 -0.51 0.01 0.00 0.00 175.26 174.34 1gks s LEU 28 N -5.47 2.55 -1.14 1.80 2.01 -1.26 -3.91 118.68 113.25 1gks s LEU 28 Ca 0.70 1.56 -0.08 0.00 0.01 0.00 0.00 54.13 56.32 1gks s LEU 28 Cb -0.04 -4.10 0.06 0.00 0.01 0.00 0.00 46.19 42.12 1gks s LEU 28 CO 0.48 -2.34 0.37 0.59 1.01 0.00 0.00 176.35 176.46 1gks n ASN 29 N -3.70 -3.30 -3.12 2.29 4.13 -1.24 -4.89 115.26 105.44 1gks n ASN 29 Ca 0.08 -0.26 -0.23 0.00 1.68 0.00 0.00 54.58 55.84 1gks n ASN 29 Cb 0.55 -2.77 -0.04 0.00 -1.54 0.00 0.00 39.78 35.97 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gks n ALA 30 N -3.25 3.32 -0.37 5.41 0.00 -1.25 -4.91 120.51 119.47 1gks n ALA 30 Ca -0.02 -4.06 0.03 0.00 0.00 0.00 0.00 53.44 49.39 1gks n ALA 30 Cb 0.54 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 19.26 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 0.26 -0.14 -0.33 0.00 -0.02 -1.26 -0.62 135.00 132.89 1gks n PRO 31 Ca 0.27 1.53 0.14 0.00 -2.02 0.00 0.00 63.50 63.43 1gks n PRO 31 Cb 0.51 -2.29 0.33 0.00 -0.02 0.00 0.00 33.50 32.03 1gks n PRO 31 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gks h GLU 32 N 0.00 0.58 0.00 -0.52 4.39 -1.99 0.21 114.58 117.25 1gks h GLU 32 Ca 0.43 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1gks h GLU 32 Cb 0.67 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1gks h GLU 32 CO -1.00 0.38 0.00 -0.44 -1.16 0.00 0.00 179.01 176.79 1gks h ASP 33 N 0.60 0.00 0.00 1.42 5.19 -1.26 -3.20 116.42 119.17 1gks h ASP 33 Ca 0.58 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.66 1gks h ASP 33 Cb 1.02 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.47 1gks h ASP 33 CO -0.45 0.00 -2.28 0.79 -3.12 0.00 0.00 179.24 174.19 1gks n TRP 34 N -3.08 0.00 -0.32 4.55 7.02 0.39 -4.60 117.44 121.40 1gks n TRP 34 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.51 1gks n TRP 34 Cb 0.27 -0.88 0.09 0.00 -2.42 0.00 0.00 31.31 28.36 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 -2.96 0.08 0.17 6.99 0.00 0.45 -0.31 120.51 124.93 1gks n ALA 35 Ca -0.36 0.91 0.06 0.00 0.00 0.00 0.00 53.44 54.05 1gks n ALA 35 Cb 1.00 -0.49 0.19 0.00 0.00 0.00 0.00 19.45 20.15 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 -4.27 0.00 5.19 -1.83 -3.46 116.42 112.04 1gks h ASP 36 Ca 0.37 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 56.28 1gks h ASP 36 Cb 0.58 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.15 1gks h ASP 36 CO -0.88 0.37 0.38 -0.13 -3.12 0.00 0.00 179.24 175.87 1gks s ARG 37 N -3.25 3.40 -0.29 3.56 0.52 0.58 -4.93 118.95 118.55 1gks s ARG 37 Ca 0.03 0.98 -0.36 0.00 -0.52 0.00 0.00 55.73 55.85 1gks s ARG 37 Cb 0.08 -2.05 -0.12 0.00 0.52 0.00 0.00 34.95 33.38 1gks s ARG 37 CO 0.70 -0.73 2.04 -2.30 0.02 0.00 0.00 175.30 175.04 1gks n PRO 38 N -2.42 1.29 -0.14 3.54 -0.02 -1.26 -4.84 135.00 131.16 1gks n PRO 38 Ca 0.07 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.99 1gks n PRO 38 Cb 0.54 -2.42 0.33 0.00 -0.02 0.00 0.00 33.50 31.92 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 10.71 0.69 -1.85 2.55 0.02 -1.89 -3.41 113.55 120.37 1gks h SER 39 Ca -0.35 -0.01 -0.54 0.00 -0.84 0.00 0.00 61.79 60.05 1gks h SER 39 Cb 1.31 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1gks h SER 39 CO 0.99 0.49 1.55 -0.44 -1.14 0.00 0.00 176.83 178.28 1gks s SER 40 N -6.43 5.04 0.38 3.07 0.01 -1.26 -4.85 113.70 109.66 1gks s SER 40 Ca -0.10 1.56 0.10 0.00 1.31 0.00 0.00 55.95 58.82 1gks s SER 40 Cb 0.18 -2.51 0.86 0.00 0.21 0.00 0.00 66.02 64.76 1gks s SER 40 CO 0.76 -2.33 1.91 0.58 0.41 0.00 0.00 173.24 174.57 1gks h VAL 41 N 7.37 0.88 -0.09 3.43 2.07 -1.99 0.12 116.25 128.05 1gks h VAL 41 Ca -0.34 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1gks h VAL 41 Cb 1.25 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1gks h VAL 41 CO 1.04 0.12 0.12 0.44 0.02 0.00 0.00 177.57 179.30 1gks h ASP 42 N 0.63 0.00 0.00 0.57 5.19 -1.95 0.11 116.42 120.98 1gks h ASP 42 Ca 0.38 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.57 1gks h ASP 42 Cb 0.60 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 1gks h ASP 42 CO -0.15 0.00 -1.21 -0.33 -3.12 0.00 0.00 179.24 174.43 1gks h GLU 43 N 0.00 0.01 -0.96 3.56 5.08 -1.16 -3.37 114.58 117.74 1gks h GLU 43 Ca 0.04 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.60 1gks h GLU 43 Cb 0.28 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.42 1gks h GLU 43 CO -0.00 1.00 0.53 -0.07 -1.00 0.00 0.00 179.01 179.47 1gks h LEU 44 N -0.98 0.60 -1.26 1.33 3.38 -0.56 0.20 115.31 118.02 1gks h LEU 44 Ca -0.33 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1gks h LEU 44 Cb 1.30 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 1gks h LEU 44 CO -0.19 0.14 0.45 1.62 0.09 0.00 0.00 178.44 180.55 1gks h VAL 45 N 0.59 1.19 -0.17 1.22 3.04 -0.99 0.73 116.25 121.87 1gks h VAL 45 Ca 0.58 -0.38 -0.01 0.00 -1.01 0.00 0.00 66.70 65.88 1gks h VAL 45 Cb 1.02 0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1gks h VAL 45 CO -0.45 0.19 0.06 -0.33 -1.01 0.00 0.00 177.57 176.04 1gks h GLU 46 N 0.98 0.27 -0.91 4.17 5.08 -0.79 0.20 114.58 123.58 1gks h GLU 46 Ca 0.26 -0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.71 1gks h GLU 46 Cb -0.08 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 1gks h GLU 46 CO -0.05 0.36 0.58 0.77 -1.00 0.00 0.00 179.01 179.67 1gks h SER 47 N 0.12 0.69 -0.02 1.42 0.02 -0.82 0.88 113.55 115.84 1gks h SER 47 Ca 0.06 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1gks h SER 47 Cb 0.20 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1gks h SER 47 CO -0.00 0.34 -0.11 0.74 -1.14 0.00 0.00 176.83 176.66 1gks h THR 48 N 0.73 1.52 -0.32 -2.27 2.02 -0.05 0.24 112.91 114.78 1gks h THR 48 Ca 0.46 -1.70 -0.06 0.00 0.77 0.00 0.00 66.41 65.88 1gks h THR 48 Cb 0.71 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1gks h THR 48 CO -0.22 0.46 -0.03 0.17 0.37 0.00 0.00 175.52 176.27 1gks h LEU 49 N -0.54 0.57 -0.22 2.58 8.10 -0.27 -3.06 115.31 122.46 1gks h LEU 49 Ca -0.01 -0.33 -0.21 0.00 0.11 0.00 0.00 57.88 57.44 1gks h LEU 49 Cb 0.81 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 40.87 1gks h LEU 49 CO 0.02 0.76 -0.90 0.00 -4.11 0.00 0.00 178.44 174.21 1gks h ALA 50 N 0.83 0.42 0.00 0.17 0.00 -0.94 0.19 119.26 119.93 1gks h ALA 50 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1gks h ALA 50 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1gks h ALA 50 CO 0.02 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1gks n GLY 51 N 0.89 2.37 3.38 0.00 0.00 0.82 -4.23 105.19 108.42 1gks n GLY 51 Ca -0.06 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.77 0.60 6.98 1.61 2.20 -1.21 -4.78 119.74 121.38 1gks s LYS 52 Ca 0.00 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1gks s LYS 52 Cb 0.00 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1gks s LYS 52 CO 0.00 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1gks n GLY 53 N 2.57 4.11 1.00 5.54 0.00 -1.26 -0.63 105.19 116.52 1gks n GLY 53 Ca -0.14 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 12.60 2.45 -2.17 4.61 0.00 -1.26 -4.96 120.51 131.79 1gks n ALA 54 Ca 0.00 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.19 1gks n ALA 54 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.69 4.25 0.44 0.00 0.00 0.20 -4.99 119.30 117.51 1gks s MET 55 Ca 0.35 2.02 -0.24 0.00 0.00 0.00 0.00 55.69 57.82 1gks s MET 55 Cb 0.21 -3.67 -0.08 0.00 0.00 0.00 0.00 34.83 31.29 1gks s MET 55 CO 0.31 -0.66 1.19 -1.25 0.00 0.00 0.00 175.02 174.61 1gks s PRO 56 N 2.85 3.86 0.29 4.11 0.04 -1.26 -3.58 135.00 141.31 1gks s PRO 56 Ca 0.66 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 1gks s PRO 56 Cb -0.32 -2.54 -0.11 0.00 0.04 0.00 0.00 34.50 31.58 1gks s PRO 56 CO 0.27 -0.48 1.51 0.00 0.04 0.00 0.00 177.00 178.33 1gks s ALA 57 N -1.46 3.67 -0.20 8.56 0.00 -1.26 -4.62 121.76 126.45 1gks s ALA 57 Ca 0.61 1.47 0.05 0.00 0.00 0.00 0.00 51.96 54.09 1gks s ALA 57 Cb -0.31 -3.60 -0.21 0.00 0.00 0.00 0.00 23.12 19.00 1gks s ALA 57 CO 0.38 -0.89 0.01 0.66 0.00 0.00 0.00 175.76 175.93 1gks n TYR 58 N 1.98 0.30 0.00 0.00 4.02 -0.18 -4.97 117.16 118.31 1gks n TYR 58 Ca 0.06 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1gks n TYR 58 Cb 0.39 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 38.67 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 -3.16 0.00 0.32 7.72 -0.08 0.51 -1.59 116.55 120.27 1gks n ASP 59 Ca -0.38 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.04 1gks n ASP 59 Cb 1.05 0.00 0.70 0.00 2.34 0.00 0.00 41.12 45.21 1gks n ASP 59 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1gks h GLY 60 N 0.00 0.00 1.97 0.27 0.00 -1.97 0.36 103.07 103.70 1gks h GLY 60 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1gks h GLY 60 CO 0.00 0.00 -0.07 3.21 0.00 0.00 0.00 176.54 179.68 1gks h ARG 61 N 0.00 0.04 -4.71 4.80 3.08 -1.70 -3.35 114.38 112.54 1gks h ARG 61 Ca 0.02 -0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.41 1gks h ARG 61 Cb 0.89 -0.01 -0.38 0.00 0.08 0.00 0.00 29.97 30.55 1gks h ARG 61 CO -0.00 0.12 -0.77 0.00 -1.07 0.00 0.00 179.97 178.24 1gks s ALA 62 N -4.88 2.55 -0.92 0.04 0.00 0.11 -5.06 121.76 113.60 1gks s ALA 62 Ca -0.05 -1.92 -0.26 0.00 0.00 0.00 0.00 51.96 49.73 1gks s ALA 62 Cb 0.16 -1.68 -0.14 0.00 0.00 0.00 0.00 23.12 21.47 1gks s ALA 62 CO 0.69 -1.35 2.20 0.16 0.00 0.00 0.00 175.76 177.46 1gks s ASP 63 N 1.10 4.13 0.00 0.00 -4.77 -1.26 -4.71 116.67 111.16 1gks s ASP 63 Ca -0.02 -0.50 0.00 0.00 -3.30 0.00 0.00 52.55 48.73 1gks s ASP 63 Cb -0.19 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.07 1gks s ASP 63 CO -0.07 -3.80 0.00 -1.14 0.70 0.00 0.00 175.17 170.87 1gks n ARG 64 N 8.63 0.00 -0.29 2.11 0.63 -1.26 -0.64 116.66 125.83 1gks n ARG 64 Ca 0.44 0.00 0.21 0.00 -0.92 0.00 0.00 57.85 57.58 1gks n ARG 64 Cb 0.45 0.00 0.51 0.00 0.45 0.00 0.00 32.46 33.87 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 0.39 0.48 -0.14 3.07 -1.99 0.14 114.58 116.54 1gks h GLU 65 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1gks h GLU 65 Cb 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1gks h GLU 65 CO 0.00 0.26 -0.23 -0.44 -1.40 0.00 0.00 179.01 177.20 1gks h ASP 66 N 0.41 -0.55 -0.15 1.42 5.19 -1.21 -1.28 116.42 120.24 1gks h ASP 66 Ca 0.54 -0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.97 1gks h ASP 66 Cb 1.37 0.14 -0.06 0.00 0.18 0.00 0.00 39.33 40.96 1gks h ASP 66 CO -0.24 -0.31 -0.25 -0.07 -3.12 0.00 0.00 179.24 175.25 1gks h LEU 67 N -0.76 -0.77 -0.57 1.55 3.38 -1.49 -1.57 115.31 115.08 1gks h LEU 67 Ca -0.07 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1gks h LEU 67 Cb 0.55 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1gks h LEU 67 CO 0.11 -0.30 -0.50 0.58 0.09 0.00 0.00 178.44 178.42 1gks h VAL 68 N -0.30 0.04 -0.99 1.22 2.07 -0.64 0.14 116.25 117.78 1gks h VAL 68 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 1gks h VAL 68 Cb 0.46 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 1gks h VAL 68 CO -0.32 0.00 0.64 0.11 0.02 0.00 0.00 177.57 178.02 1gks h LYS 69 N -0.26 1.11 -0.47 1.57 1.79 -0.79 0.17 116.57 119.69 1gks h LYS 69 Ca 0.14 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1gks h LYS 69 Cb 0.56 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1gks h LYS 69 CO -0.69 0.73 0.20 0.00 -1.08 0.00 0.00 179.45 178.61 1gks h ALA 70 N 1.47 0.61 -0.25 3.86 0.00 -0.08 -1.33 119.26 123.55 1gks h ALA 70 Ca 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1gks h ALA 70 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gks h ALA 70 CO -0.18 0.20 0.12 0.82 0.00 0.00 0.00 179.25 180.22 1gks h ILE 71 N 0.61 1.14 -0.25 0.00 2.04 0.09 -0.57 117.51 120.57 1gks h ILE 71 Ca 0.16 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1gks h ILE 71 Cb 0.18 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1gks h ILE 71 CO -0.01 0.14 -0.17 -0.33 0.00 0.00 0.00 178.15 177.78 1gks h GLU 72 N 0.27 -0.15 0.11 2.37 4.39 -0.46 0.14 114.58 121.25 1gks h GLU 72 Ca 0.08 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.81 1gks h GLU 72 Cb 0.11 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1gks h GLU 72 CO -0.01 -0.10 -0.26 -0.92 -1.16 0.00 0.00 179.01 176.56 1gks h TYR 73 N -0.16 -0.69 -0.52 4.33 3.20 -0.94 0.74 116.97 122.94 1gks h TYR 73 Ca 0.14 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.12 1gks h TYR 73 Cb 0.37 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 38.84 1gks h TYR 73 CO -0.34 -0.36 0.05 1.98 -1.64 0.00 0.00 178.16 177.85 1gks h MET 74 N -0.46 0.16 -0.47 1.82 4.05 -0.47 0.10 114.93 119.66 1gks h MET 74 Ca 0.03 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 1gks h MET 74 Cb 0.49 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1gks h MET 74 CO -0.15 0.11 0.15 -0.07 0.23 0.00 0.00 176.91 177.18 1gks h LEU 75 N 0.17 0.63 -3.20 3.39 3.38 -0.38 -3.10 115.31 116.19 1gks h LEU 75 Ca 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gks h LEU 75 Cb 0.39 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1gks h LEU 75 CO -0.40 0.60 0.00 -1.20 0.09 0.00 0.00 178.44 177.53 1gks n SER 76 N -4.33 3.47 0.00 -0.43 7.64 0.22 -1.85 113.62 118.34 1gks n SER 76 Ca 0.03 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1gks n SER 76 Cb 0.18 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 1.57 0.00 0.94 0.44 -2.24 -1.17 -5.00 114.28 108.82 1gks n THR 77 Ca 0.00 -0.13 0.08 0.00 -2.27 0.00 0.00 64.05 61.73 1gks n THR 77 Cb 0.34 0.66 0.45 0.00 -2.10 0.00 0.00 70.33 69.68 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68