#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 5.77 4.05 0.27 0.00 -1.26 -4.88 105.19 109.13 1gks n GLY 2 Ca 0.00 -2.61 -0.43 0.00 0.00 0.00 0.00 46.02 42.98 1gks n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gks n GLU 3 N -0.43 -0.31 0.20 1.61 4.71 -1.26 -4.71 120.64 120.44 1gks n GLU 3 Ca 0.46 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 1gks n GLU 3 Cb 0.38 -2.14 0.00 0.00 -1.01 0.00 0.00 31.44 28.67 1gks n GLU 3 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1gks n SER 4 N -1.89 -3.10 0.05 1.62 3.41 -1.26 -4.84 113.62 107.61 1gks n SER 4 Ca -0.11 0.74 -0.11 0.00 -0.26 0.00 0.00 58.87 59.13 1gks n SER 4 Cb 0.52 2.96 -0.04 0.00 -0.26 0.00 0.00 64.21 67.39 1gks n SER 4 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1gks h ILE 5 N 0.00 0.42 -0.56 -1.33 2.04 -1.94 0.26 117.51 116.41 1gks h ILE 5 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1gks h ILE 5 Cb 0.00 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1gks h ILE 5 CO 0.00 0.00 -0.05 0.22 0.00 0.00 0.00 178.15 178.32 1gks h TYR 6 N -0.38 1.10 0.01 1.37 5.03 -1.91 0.83 116.97 123.03 1gks h TYR 6 Ca 0.07 -0.20 -0.00 0.00 2.58 0.00 0.00 58.73 61.18 1gks h TYR 6 Cb 0.47 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.47 1gks h TYR 6 CO -0.30 1.00 -0.01 0.82 -1.32 0.00 0.00 178.16 178.36 1gks h ILE 7 N 0.91 1.54 0.00 1.81 2.04 -1.76 -3.00 117.51 119.04 1gks h ILE 7 Ca 0.16 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1gks h ILE 7 Cb 0.59 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 1gks h ILE 7 CO 0.04 0.47 -0.03 -0.46 0.00 0.00 0.00 178.15 178.17 1gks n ASN 8 N -4.70 0.17 0.08 1.72 0.23 0.60 -4.58 115.26 108.77 1gks n ASN 8 Ca -0.09 -0.02 -0.18 0.00 -0.53 0.00 0.00 54.58 53.76 1gks n ASN 8 Cb 0.38 0.07 -0.10 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.57 -2.05 4.83 0.00 -0.28 -3.46 103.07 102.69 1gks h GLY 9 Ca 0.00 -1.13 -0.51 0.00 0.00 0.00 0.00 47.33 45.70 1gks h GLY 9 CO 0.00 0.99 0.43 -0.51 0.00 0.00 0.00 176.54 177.45 1gks s THR 10 N -3.08 3.09 -0.11 4.70 -4.23 0.25 -4.99 115.64 111.27 1gks s THR 10 Ca -0.07 0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 61.06 1gks s THR 10 Cb 0.07 -3.25 0.05 0.00 1.34 0.00 0.00 72.50 70.71 1gks s THR 10 CO 0.90 -0.16 0.08 0.00 -0.54 0.00 0.00 174.62 174.90 1gks s ALA 11 N -1.80 0.29 0.66 3.99 0.00 -1.26 -2.69 121.76 120.95 1gks s ALA 11 Ca 0.73 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 1gks s ALA 11 Cb -0.25 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1gks s ALA 11 CO 0.29 -0.86 0.85 -2.30 0.00 0.00 0.00 175.76 173.73 1gks n PRO 12 N 5.29 0.63 -2.08 0.00 -0.02 -1.26 -4.89 135.00 132.67 1gks n PRO 12 Ca -0.05 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1gks n PRO 12 Cb 0.49 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.69 3.59 0.17 3.45 -4.23 -1.09 -4.93 115.64 110.90 1gks s THR 13 Ca 0.73 0.83 -0.16 0.00 -1.18 0.00 0.00 61.69 61.91 1gks s THR 13 Cb -0.38 -3.53 0.07 0.00 1.34 0.00 0.00 72.50 69.99 1gks s THR 13 CO 0.50 -0.05 1.70 0.00 -0.54 0.00 0.00 174.62 176.24 1gks h SER 15 N 0.13 -1.64 -1.27 0.00 4.64 -1.77 0.14 113.55 113.78 1gks h SER 15 Ca 0.19 0.30 0.37 0.00 -0.47 0.00 0.00 61.79 62.19 1gks h SER 15 Cb 0.26 0.79 -0.09 0.00 -0.31 0.00 0.00 62.40 63.05 1gks h SER 15 CO -0.30 -0.28 0.86 0.28 -0.87 0.00 0.00 176.83 176.51 1gks h SER 16 N -0.05 0.22 0.00 4.97 0.02 -1.81 0.21 113.55 117.11 1gks h SER 16 Ca 0.26 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.18 1gks h SER 16 Cb 0.54 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1gks h SER 16 CO -0.91 -0.03 -1.24 0.00 -1.14 0.00 0.00 176.83 173.51 1gks h HIS 18 N -1.00 0.00 -0.36 0.00 3.86 -0.84 0.26 115.15 117.08 1gks h HIS 18 Ca -0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1gks h HIS 18 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1gks h HIS 18 CO -0.31 0.00 0.00 -3.47 0.86 0.00 0.00 177.93 175.01 1gks n ASP 19 N -2.58 2.85 0.00 2.45 2.03 0.71 -2.54 116.55 119.47 1gks n ASP 19 Ca 0.01 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.40 1gks n ASP 19 Cb 0.22 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1gks n ASP 19 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1gks n ARG 20 N 1.09 2.34 -1.79 -0.67 5.12 -0.23 -5.03 116.66 117.49 1gks n ARG 20 Ca 0.18 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.07 1gks n ARG 20 Cb 0.50 -0.78 -0.01 0.00 -1.16 0.00 0.00 32.46 31.01 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gks n GLY 21 N 1.79 0.35 3.78 -0.13 0.00 0.76 -4.99 105.19 106.75 1gks n GLY 21 Ca 0.00 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.68 2.01 -2.36 1.61 3.14 -1.21 -1.24 118.33 116.61 1gks n VAL 22 Ca -0.04 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.71 1gks n VAL 22 Cb 0.41 -2.00 -0.01 0.00 -1.06 0.00 0.00 33.84 31.19 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 0.42 -0.73 -1.76 1.55 0.00 -1.26 -0.80 120.51 117.93 1gks n ALA 23 Ca 0.01 0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 1gks n ALA 23 Cb 0.39 -1.51 -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 -0.77 0.48 3.72 0.00 0.00 -0.37 -4.86 105.19 103.39 1gks n GLY 24 Ca -0.15 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.27 1.67 -1.74 4.61 0.00 0.02 -4.85 120.51 119.95 1gks n ALA 25 Ca -0.10 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 1gks n ALA 25 Cb 0.45 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.46 3.23 0.64 0.00 0.04 -1.26 -4.42 135.00 131.77 1gks s PRO 26 Ca 0.58 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 1gks s PRO 26 Cb -0.55 -4.31 -0.01 0.00 0.04 0.00 0.00 34.50 29.67 1gks s PRO 26 CO 0.58 -1.99 1.07 -1.21 0.04 0.00 0.00 177.00 175.50 1gks s GLU 27 N 6.05 3.04 0.61 4.56 2.02 -1.26 -4.82 118.70 128.90 1gks s GLU 27 Ca 0.93 1.20 -0.00 0.00 0.02 0.00 0.00 54.97 57.12 1gks s GLU 27 Cb -0.30 -1.99 0.06 0.00 0.10 0.00 0.00 34.13 32.00 1gks s GLU 27 CO 0.35 -1.04 0.86 -0.48 0.02 0.00 0.00 175.26 174.97 1gks s LEU 28 N -4.89 3.14 -1.44 1.80 2.34 -1.05 -4.17 118.68 114.40 1gks s LEU 28 Ca 0.63 -0.04 -0.03 0.00 0.06 0.00 0.00 54.13 54.75 1gks s LEU 28 Cb -0.17 -2.68 0.00 0.00 -0.56 0.00 0.00 46.19 42.78 1gks s LEU 28 CO 0.43 -1.38 0.42 0.59 -1.06 0.00 0.00 176.35 175.35 1gks n ASN 29 N -2.54 -5.60 -2.93 1.48 3.02 -1.26 -4.97 115.26 102.46 1gks n ASN 29 Ca 0.10 -0.20 -0.13 0.00 -0.03 0.00 0.00 54.58 54.32 1gks n ASN 29 Cb 0.60 -4.48 -0.01 0.00 -0.61 0.00 0.00 39.78 35.28 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 -3.03 -0.18 -0.33 5.41 0.00 -1.26 -4.91 120.51 116.21 1gks n ALA 30 Ca -0.13 -1.93 0.04 0.00 0.00 0.00 0.00 53.44 51.42 1gks n ALA 30 Cb 0.62 -1.20 0.11 0.00 0.00 0.00 0.00 19.45 18.98 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 2.17 -0.11 -0.30 0.00 -0.02 -1.26 -0.72 135.00 134.75 1gks n PRO 31 Ca 0.17 1.39 0.14 0.00 -2.02 0.00 0.00 63.50 63.19 1gks n PRO 31 Cb 0.57 -2.08 0.32 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.29 0.00 -0.52 3.07 -1.96 0.21 114.58 115.67 1gks h GLU 32 Ca 0.40 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1gks h GLU 32 Cb 0.63 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1gks h GLU 32 CO -0.92 0.19 -0.05 -0.44 -1.40 0.00 0.00 179.01 176.39 1gks h ASP 33 N 0.29 0.00 0.00 1.42 5.19 -1.23 -3.18 116.42 118.92 1gks h ASP 33 Ca 0.58 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.80 1gks h ASP 33 Cb 1.17 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 1gks h ASP 33 CO -0.60 0.05 -1.73 0.79 -3.12 0.00 0.00 179.24 174.63 1gks n TRP 34 N -3.32 0.00 -0.31 4.55 7.02 0.31 -4.71 117.44 120.98 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 0.21 -0.52 0.12 0.00 -2.42 0.00 0.00 31.31 28.71 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 -2.37 0.21 0.14 6.99 0.00 0.47 -0.16 120.51 125.80 1gks n ALA 35 Ca -0.17 0.95 0.01 0.00 0.00 0.00 0.00 53.44 54.24 1gks n ALA 35 Cb 0.82 -0.58 0.14 0.00 0.00 0.00 0.00 19.45 19.83 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 -4.22 0.00 5.19 -1.85 -3.46 116.42 112.08 1gks h ASP 36 Ca 0.42 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.35 1gks h ASP 36 Cb 0.64 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.18 1gks h ASP 36 CO -0.89 0.57 0.38 -0.13 -3.12 0.00 0.00 179.24 176.05 1gks s ARG 37 N -3.27 3.81 0.10 3.56 0.52 0.77 -4.98 118.95 119.46 1gks s ARG 37 Ca 0.01 0.95 -0.31 0.00 -0.52 0.00 0.00 55.73 55.86 1gks s ARG 37 Cb 0.10 -2.11 -0.11 0.00 0.52 0.00 0.00 34.95 33.35 1gks s ARG 37 CO 0.74 -0.39 1.85 -2.30 0.02 0.00 0.00 175.30 175.22 1gks n PRO 38 N -1.83 2.75 0.23 3.54 -0.02 -1.26 -4.86 135.00 133.55 1gks n PRO 38 Ca 0.07 1.00 0.09 0.00 -2.02 0.00 0.00 63.50 62.64 1gks n PRO 38 Cb 0.54 -2.90 0.58 0.00 -0.02 0.00 0.00 33.50 31.70 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 8.73 0.00 -0.74 2.55 4.64 -1.92 -3.43 113.55 123.39 1gks h SER 39 Ca -0.47 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.58 1gks h SER 39 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1gks h SER 39 CO 0.94 0.20 1.07 -1.20 -0.87 0.00 0.00 176.83 176.98 1gks n SER 40 N -3.80 1.43 -0.30 4.97 7.64 -1.26 -4.82 113.62 117.49 1gks n SER 40 Ca -0.02 -0.82 0.12 0.00 1.01 0.00 0.00 58.87 59.17 1gks n SER 40 Cb 0.30 -1.41 0.28 0.00 -1.01 0.00 0.00 64.21 62.37 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 7.66 0.46 -0.65 0.44 2.07 -1.99 0.17 116.25 124.41 1gks h VAL 41 Ca -0.09 -0.12 0.19 0.00 0.82 0.00 0.00 66.70 67.50 1gks h VAL 41 Cb 1.15 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1gks h VAL 41 CO 1.18 0.06 0.51 -0.78 0.02 0.00 0.00 177.57 178.57 1gks h ASP 42 N 0.35 0.00 0.01 0.57 3.58 -1.97 0.50 116.42 119.47 1gks h ASP 42 Ca 0.53 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.68 1gks h ASP 42 Cb 1.01 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.02 1gks h ASP 42 CO -0.54 0.00 -1.67 -0.62 -2.88 0.00 0.00 179.24 173.53 1gks n GLU 43 N -4.16 0.59 -0.32 0.28 -0.58 0.46 -4.23 120.64 112.68 1gks n GLU 43 Ca 0.13 0.46 0.13 0.00 -0.42 0.00 0.00 57.16 57.46 1gks n GLU 43 Cb 0.76 -1.68 0.31 0.00 -0.57 0.00 0.00 31.44 30.26 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 -0.86 0.53 -1.40 -4.62 3.38 -0.43 0.20 115.31 112.11 1gks h LEU 44 Ca -0.44 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1gks h LEU 44 Cb 1.47 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1gks h LEU 44 CO -0.22 0.11 0.28 1.62 0.09 0.00 0.00 178.44 180.31 1gks h VAL 45 N 0.54 1.15 -0.13 1.22 3.04 -1.13 0.61 116.25 121.56 1gks h VAL 45 Ca 0.57 -0.38 -0.01 0.00 -1.01 0.00 0.00 66.70 65.87 1gks h VAL 45 Cb 1.00 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 1gks h VAL 45 CO -0.46 0.17 0.04 -0.33 -1.01 0.00 0.00 177.57 175.97 1gks h GLU 46 N 0.69 0.20 -0.72 4.17 4.39 -0.79 0.17 114.58 122.69 1gks h GLU 46 Ca 0.18 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.94 1gks h GLU 46 Cb 0.01 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.56 1gks h GLU 46 CO -0.03 0.35 0.34 0.77 -1.16 0.00 0.00 179.01 179.28 1gks h SER 47 N 0.02 0.40 -0.05 1.42 0.02 -0.99 0.64 113.55 115.01 1gks h SER 47 Ca 0.04 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1gks h SER 47 Cb 0.23 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1gks h SER 47 CO -0.00 0.21 0.03 0.74 -1.14 0.00 0.00 176.83 176.67 1gks h THR 48 N 0.55 1.11 -0.31 -2.27 2.02 -0.40 0.17 112.91 113.79 1gks h THR 48 Ca 0.37 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1gks h THR 48 Cb 0.45 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1gks h THR 48 CO -0.31 0.09 0.18 -0.07 0.37 0.00 0.00 175.52 175.79 1gks h LEU 49 N -0.04 0.37 -1.02 2.58 3.38 -0.02 -2.78 115.31 117.78 1gks h LEU 49 Ca 0.02 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1gks h LEU 49 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1gks h LEU 49 CO -0.00 0.32 -0.29 0.00 0.09 0.00 0.00 178.44 178.56 1gks h ALA 50 N 1.07 1.17 0.00 1.53 0.00 -0.81 0.31 119.26 122.54 1gks h ALA 50 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1gks h ALA 50 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gks h ALA 50 CO -0.02 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1gks n GLY 51 N -0.39 1.57 3.62 0.00 0.00 0.60 -4.13 105.19 106.46 1gks n GLY 51 Ca -0.01 -1.83 -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 -3.03 0.56 7.59 1.61 2.20 -0.10 -4.78 119.74 123.79 1gks s LYS 52 Ca 0.00 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1gks s LYS 52 Cb 0.00 0.77 0.00 0.00 -1.51 0.00 0.00 37.83 37.09 1gks s LYS 52 CO 0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1gks n GLY 53 N 5.29 4.29 0.17 5.54 0.00 -1.26 -0.39 105.19 118.83 1gks n GLY 53 Ca -0.12 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.95 1.00 -2.18 4.61 0.00 -1.97 -3.45 119.26 116.32 1gks h ALA 54 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1gks h ALA 54 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gks h ALA 54 CO 0.00 0.00 1.08 1.41 0.00 0.00 0.00 179.25 181.74 1gks s MET 55 N -3.17 4.07 0.72 0.00 0.00 0.47 -4.99 119.30 116.40 1gks s MET 55 Ca 0.08 1.98 -0.12 0.00 0.00 0.00 0.00 55.69 57.64 1gks s MET 55 Cb 0.09 -3.97 0.03 0.00 0.00 0.00 0.00 34.83 30.97 1gks s MET 55 CO 0.63 -0.96 1.08 -1.25 0.00 0.00 0.00 175.02 174.52 1gks s PRO 56 N 4.16 2.61 0.19 4.11 0.04 -1.26 -0.93 135.00 143.93 1gks s PRO 56 Ca 0.71 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 1gks s PRO 56 Cb -0.30 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1gks s PRO 56 CO 0.27 -1.37 1.52 0.00 0.04 0.00 0.00 177.00 177.47 1gks s ALA 57 N -2.80 3.72 -0.86 8.56 0.00 -1.26 -4.24 121.76 124.88 1gks s ALA 57 Ca 0.62 1.36 0.22 0.00 0.00 0.00 0.00 51.96 54.15 1gks s ALA 57 Cb -0.17 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.25 1gks s ALA 57 CO 0.52 -0.77 0.95 0.66 0.00 0.00 0.00 175.76 177.12 1gks n TYR 58 N 3.37 0.03 -1.42 0.00 4.01 0.92 -4.89 117.16 119.18 1gks n TYR 58 Ca 0.11 0.01 -0.61 0.00 -0.16 0.00 0.00 57.90 57.25 1gks n TYR 58 Cb 0.39 -0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.63 1.10 0.00 7.72 2.03 -0.15 -0.17 116.55 125.45 1gks n ASP 59 Ca 0.03 0.80 0.00 0.00 0.52 0.00 0.00 54.79 56.14 1gks n ASP 59 Cb 0.37 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 6.36 3.07 0.10 0.27 0.00 -1.26 -4.79 105.19 108.94 1gks n GLY 60 Ca 0.46 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 1.36 0.08 -6.48 1.61 3.08 -0.91 -3.45 114.38 109.67 1gks h ARG 61 Ca 0.00 -0.13 -0.69 0.00 0.07 0.00 0.00 59.98 59.23 1gks h ARG 61 Cb 0.00 0.05 -0.25 0.00 0.08 0.00 0.00 29.97 29.85 1gks h ARG 61 CO 0.00 1.06 -0.82 0.00 -1.07 0.00 0.00 179.97 179.15 1gks s ALA 62 N -2.35 2.48 0.18 0.04 0.00 -0.42 -5.01 121.76 116.68 1gks s ALA 62 Ca -0.23 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.41 1gks s ALA 62 Cb 0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 23.12 22.29 1gks s ALA 62 CO 0.68 0.55 0.79 0.34 0.00 0.00 0.00 175.76 178.12 1gks s ASP 63 N -0.85 7.36 0.16 0.00 2.15 -1.26 -4.61 116.67 119.61 1gks s ASP 63 Ca 0.12 1.64 0.02 0.00 0.43 0.00 0.00 52.55 54.76 1gks s ASP 63 Cb -0.10 -2.50 0.41 0.00 -0.30 0.00 0.00 42.92 40.43 1gks s ASP 63 CO 0.01 0.17 0.77 -1.14 -0.17 0.00 0.00 175.17 174.81 1gks n ARG 64 N 1.42 -0.04 0.02 4.34 0.63 -1.26 0.41 116.66 122.18 1gks n ARG 64 Ca -0.05 0.73 -0.12 0.00 -0.92 0.00 0.00 57.85 57.50 1gks n ARG 64 Cb 0.49 -1.18 -0.06 0.00 0.45 0.00 0.00 32.46 32.16 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 0.07 0.32 -0.14 4.39 -1.98 0.24 114.58 117.48 1gks h GLU 65 Ca 0.31 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 1gks h GLU 65 Cb 0.67 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1gks h GLU 65 CO -0.45 0.05 -0.48 -0.44 -1.16 0.00 0.00 179.01 176.53 1gks h ASP 66 N 0.06 -1.38 -0.14 1.42 3.32 -0.42 -0.53 116.42 118.76 1gks h ASP 66 Ca 0.02 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1gks h ASP 66 Cb 0.00 0.48 -0.07 0.00 0.22 0.00 0.00 39.33 39.96 1gks h ASP 66 CO -0.00 -0.60 -0.49 -0.07 -1.72 0.00 0.00 179.24 176.36 1gks h LEU 67 N -0.86 -1.56 -0.34 1.55 3.38 -1.30 -0.77 115.31 115.41 1gks h LEU 67 Ca -0.03 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1gks h LEU 67 Cb 0.80 0.62 -0.08 0.00 0.09 0.00 0.00 40.66 42.08 1gks h LEU 67 CO -0.15 -0.46 -0.42 0.58 0.09 0.00 0.00 178.44 178.07 1gks h VAL 68 N -0.54 0.12 -0.96 1.22 2.07 -0.33 0.23 116.25 118.07 1gks h VAL 68 Ca 0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.68 1gks h VAL 68 Cb 0.66 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1gks h VAL 68 CO -0.43 0.00 0.61 0.11 0.02 0.00 0.00 177.57 177.88 1gks h LYS 69 N -0.36 0.93 -0.19 1.57 1.57 -0.70 0.13 116.57 119.52 1gks h LYS 69 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1gks h LYS 69 Cb 0.59 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1gks h LYS 69 CO -0.53 0.61 -0.20 0.00 -0.57 0.00 0.00 179.45 178.76 1gks h ALA 70 N 1.54 0.28 -0.30 3.86 0.00 0.36 0.19 119.26 125.20 1gks h ALA 70 Ca 0.46 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1gks h ALA 70 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1gks h ALA 70 CO -0.22 0.22 0.16 0.82 0.00 0.00 0.00 179.25 180.23 1gks h ILE 71 N 0.14 1.14 -0.10 0.00 2.04 0.10 0.93 117.51 121.76 1gks h ILE 71 Ca 0.03 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.56 1gks h ILE 71 Cb 0.75 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1gks h ILE 71 CO 0.05 0.14 -0.26 -0.33 0.00 0.00 0.00 178.15 177.75 1gks h GLU 72 N 0.36 -0.33 -0.10 2.37 5.08 -0.79 0.88 114.58 122.06 1gks h GLU 72 Ca 0.10 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1gks h GLU 72 Cb 0.08 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1gks h GLU 72 CO -0.02 -0.22 -0.07 -0.92 -1.00 0.00 0.00 179.01 176.79 1gks h TYR 73 N -0.34 -0.16 0.05 4.33 3.20 -1.14 0.67 116.97 123.57 1gks h TYR 73 Ca 0.09 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1gks h TYR 73 Cb 0.48 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 1gks h TYR 73 CO -0.34 -0.11 -0.53 1.98 -1.64 0.00 0.00 178.16 177.52 1gks h MET 74 N -0.07 -0.68 -0.90 1.82 4.05 -0.24 -1.07 114.93 117.84 1gks h MET 74 Ca 0.06 0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.65 1gks h MET 74 Cb 0.16 0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 31.05 1gks h MET 74 CO -0.15 -0.45 0.58 -0.07 0.23 0.00 0.00 176.91 177.05 1gks h LEU 75 N -0.70 0.75 0.00 3.39 4.07 -0.66 -1.05 115.31 121.11 1gks h LEU 75 Ca 0.01 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1gks h LEU 75 Cb 0.74 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1gks h LEU 75 CO -0.33 0.41 0.00 -1.20 -1.08 0.00 0.00 178.44 176.24 1gks n SER 76 N -4.55 0.00 0.06 -0.43 7.64 0.21 -1.30 113.62 115.24 1gks n SER 76 Ca 0.16 0.29 0.12 0.00 1.01 0.00 0.00 58.87 60.45 1gks n SER 76 Cb 0.38 -0.33 0.14 0.00 -1.01 0.00 0.00 64.21 63.39 1gks n SER 76 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1gks h THR 77 N 0.00 0.00 0.00 0.44 1.35 -1.05 -3.51 112.91 110.15 1gks h THR 77 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1gks h THR 77 Cb 0.05 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1gks h THR 77 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45