#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 1.20 0.92 6.12 0.00 -1.95 -0.42 103.07 108.94 1gks h GLY 2 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1gks h GLY 2 CO 0.00 -0.02 -0.34 -2.09 0.00 0.00 0.00 176.54 174.09 1gks h GLU 3 N 0.57 -0.85 -0.75 4.80 4.81 -1.91 0.15 114.58 121.40 1gks h GLU 3 Ca 0.41 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.86 1gks h GLU 3 Cb 0.54 0.19 -0.11 0.00 0.63 0.00 0.00 28.75 30.00 1gks h GLU 3 CO -0.34 -0.56 0.17 0.77 -0.73 0.00 0.00 179.01 178.32 1gks h SER 4 N -0.88 -0.01 0.58 1.04 0.02 -1.75 0.16 113.55 112.71 1gks h SER 4 Ca -0.08 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1gks h SER 4 Cb 0.70 0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.46 1gks h SER 4 CO 0.10 -0.06 -0.28 0.40 -1.14 0.00 0.00 176.83 175.85 1gks h ILE 5 N 0.25 0.39 -0.30 3.27 2.04 -0.83 0.17 117.51 122.50 1gks h ILE 5 Ca 0.43 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 66.16 1gks h ILE 5 Cb 0.75 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1gks h ILE 5 CO -0.53 0.02 0.10 0.22 0.00 0.00 0.00 178.15 177.96 1gks h TYR 6 N -0.89 0.18 -0.04 1.37 5.03 -0.39 0.76 116.97 122.98 1gks h TYR 6 Ca -0.08 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.22 1gks h TYR 6 Cb 0.64 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.88 1gks h TYR 6 CO -0.01 0.08 -0.06 0.82 -1.32 0.00 0.00 178.16 177.67 1gks h ILE 7 N 0.23 1.40 -0.07 1.81 1.08 -0.68 -2.41 117.51 118.87 1gks h ILE 7 Ca 0.13 -1.28 -0.18 0.00 -0.39 0.00 0.00 64.86 63.15 1gks h ILE 7 Cb 0.10 2.15 -0.19 0.00 -3.07 0.00 0.00 36.82 35.81 1gks h ILE 7 CO -0.14 0.35 -0.41 -0.46 -0.69 0.00 0.00 178.15 176.80 1gks n ASN 8 N -4.74 -0.95 -2.63 1.72 2.04 0.50 -4.61 115.26 106.58 1gks n ASN 8 Ca -0.08 -2.18 -0.00 0.00 -0.44 0.00 0.00 54.58 51.87 1gks n ASN 8 Cb 0.30 0.49 0.06 0.00 -2.53 0.00 0.00 39.78 38.11 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 -1.37 1.75 3.06 4.83 0.00 0.24 -4.85 105.19 108.85 1gks n GLY 9 Ca -0.14 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.37 0.28 -0.26 2.61 -4.23 -1.09 -4.69 115.64 105.88 1gks s THR 10 Ca 0.22 -1.48 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1gks s THR 10 Cb 0.35 -1.06 0.08 0.00 1.34 0.00 0.00 72.50 73.20 1gks s THR 10 CO -0.07 -0.77 0.04 0.00 -0.54 0.00 0.00 174.62 173.27 1gks s ALA 11 N -2.88 1.63 0.95 3.99 0.00 -1.26 -2.19 121.76 122.01 1gks s ALA 11 Ca -0.01 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 1gks s ALA 11 Cb 0.00 -1.49 0.16 0.00 0.00 0.00 0.00 23.12 21.80 1gks s ALA 11 CO -0.06 -1.41 1.09 -1.25 0.00 0.00 0.00 175.76 174.13 1gks s PRO 12 N 1.56 0.76 -0.08 0.00 0.04 -1.26 -4.83 135.00 131.18 1gks s PRO 12 Ca 0.03 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 1gks s PRO 12 Cb -0.18 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1gks s PRO 12 CO -0.14 -2.64 1.65 0.95 0.04 0.00 0.00 177.00 176.86 1gks s THR 13 N -2.76 3.60 0.27 1.26 -4.23 -0.93 -4.90 115.64 107.95 1gks s THR 13 Ca 0.65 0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 61.86 1gks s THR 13 Cb -0.21 -3.49 0.28 0.00 1.34 0.00 0.00 72.50 70.43 1gks s THR 13 CO 0.59 -0.09 1.66 0.00 -0.54 0.00 0.00 174.62 176.23 1gks h SER 15 N 0.21 0.24 0.00 0.00 4.64 -1.69 -0.07 113.55 116.89 1gks h SER 15 Ca 0.48 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1gks h SER 15 Cb 0.91 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1gks h SER 15 CO -0.61 -0.10 0.17 0.28 -0.87 0.00 0.00 176.83 175.69 1gks h SER 16 N 0.30 0.00 0.00 4.97 0.02 -1.22 0.72 113.55 118.34 1gks h SER 16 Ca 0.61 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.53 1gks h SER 16 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1gks h SER 16 CO -0.61 0.00 -0.53 0.00 -1.14 0.00 0.00 176.83 174.56 1gks h HIS 18 N -0.24 0.00 -0.07 0.00 3.86 -1.03 0.28 115.15 117.95 1gks h HIS 18 Ca -0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1gks h HIS 18 Cb 0.47 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 1gks h HIS 18 CO -0.08 0.16 -0.02 0.22 0.86 0.00 0.00 177.93 179.07 1gks h ASP 19 N 0.00 0.15 1.00 2.45 3.58 -1.04 -3.23 116.42 119.33 1gks h ASP 19 Ca -0.00 -0.38 -0.14 0.00 0.42 0.00 0.00 57.03 56.94 1gks h ASP 19 Cb 0.68 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1gks h ASP 19 CO 0.02 0.49 -1.07 0.08 -2.88 0.00 0.00 179.24 175.88 1gks h ARG 20 N -0.20 0.00 -1.05 0.28 0.11 -1.71 -3.45 114.38 108.35 1gks h ARG 20 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1gks h ARG 20 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 1gks h ARG 20 CO 0.01 0.35 0.00 0.41 0.10 0.00 0.00 179.97 180.84 1gks n GLY 21 N 1.32 0.86 3.77 0.08 0.00 0.81 -5.00 105.19 107.03 1gks n GLY 21 Ca -0.05 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.94 2.08 -2.29 1.61 3.14 -0.18 -1.21 118.33 119.54 1gks n VAL 22 Ca 0.00 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.75 1gks n VAL 22 Cb 0.44 -1.94 -0.01 0.00 -1.06 0.00 0.00 33.84 31.27 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 0.36 -0.68 -1.34 1.55 0.00 -1.26 -0.70 120.51 118.43 1gks n ALA 23 Ca 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 1gks n ALA 23 Cb 0.39 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.74 0.80 3.68 0.00 0.00 -0.35 -4.97 105.19 103.60 1gks n GLY 24 Ca -0.15 -0.71 -0.46 0.00 0.00 0.00 0.00 46.02 44.69 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 0.77 1.20 -1.53 4.61 0.00 0.12 -4.80 120.51 120.88 1gks n ALA 25 Ca -0.07 0.28 -0.60 0.00 0.00 0.00 0.00 53.44 53.05 1gks n ALA 25 Cb 0.28 -2.54 -0.09 0.00 0.00 0.00 0.00 19.45 17.09 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 6.55 0.50 -1.95 0.00 -0.02 -1.26 -4.31 135.00 134.52 1gks n PRO 26 Ca 0.21 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 1gks n PRO 26 Cb 0.33 -1.84 0.08 0.00 -0.02 0.00 0.00 33.50 32.05 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 4.70 2.05 0.81 -0.52 2.02 -1.26 -4.84 118.70 121.65 1gks s GLU 27 Ca 1.09 0.08 -0.11 0.00 0.02 0.00 0.00 54.97 56.05 1gks s GLU 27 Cb -1.27 -1.99 0.08 0.00 0.10 0.00 0.00 34.13 31.05 1gks s GLU 27 CO 0.67 -1.51 1.11 -0.51 0.02 0.00 0.00 175.26 175.04 1gks s LEU 28 N -5.52 3.00 -1.24 1.80 2.01 -1.26 -3.85 118.68 113.63 1gks s LEU 28 Ca 0.61 1.94 -0.03 0.00 0.01 0.00 0.00 54.13 56.66 1gks s LEU 28 Cb -0.11 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.56 1gks s LEU 28 CO 0.49 -2.32 0.06 -0.46 1.01 0.00 0.00 176.35 175.12 1gks n ASN 29 N -3.67 0.34 -3.17 2.29 6.94 -1.25 -4.88 115.26 111.85 1gks n ASN 29 Ca 0.10 -1.05 -0.20 0.00 -0.02 0.00 0.00 54.58 53.41 1gks n ASN 29 Cb 0.53 -1.30 -0.04 0.00 -2.36 0.00 0.00 39.78 36.61 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 -3.97 2.34 -0.31 -2.53 0.00 -1.25 -4.90 120.51 109.88 1gks n ALA 30 Ca -0.25 -3.54 0.15 0.00 0.00 0.00 0.00 53.44 49.81 1gks n ALA 30 Cb 0.56 -0.89 0.30 0.00 0.00 0.00 0.00 19.45 19.41 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 0.46 -0.07 -0.31 0.00 -0.02 -1.26 -0.38 135.00 133.41 1gks n PRO 31 Ca 0.25 1.35 0.15 0.00 -2.02 0.00 0.00 63.50 63.23 1gks n PRO 31 Cb 0.61 -2.17 0.32 0.00 -0.02 0.00 0.00 33.50 32.24 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 0.23 0.00 -0.52 3.07 -1.99 0.35 114.58 115.72 1gks h GLU 32 Ca 0.58 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.37 1gks h GLU 32 Cb 1.24 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1gks h GLU 32 CO -0.84 0.15 -0.26 -0.44 -1.40 0.00 0.00 179.01 176.23 1gks h ASP 33 N 0.24 0.00 0.00 1.42 3.32 -1.10 -3.21 116.42 117.08 1gks h ASP 33 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1gks h ASP 33 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1gks h ASP 33 CO -0.64 0.26 -1.61 0.79 -1.72 0.00 0.00 179.24 176.32 1gks n TRP 34 N -3.59 0.00 -0.28 4.55 7.02 0.54 -4.71 117.44 120.98 1gks n TRP 34 Ca -0.01 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.55 1gks n TRP 34 Cb 0.40 -0.32 0.17 0.00 -2.42 0.00 0.00 31.31 29.13 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 -1.97 0.29 1.04 6.99 0.00 0.91 -0.45 120.51 127.32 1gks n ALA 35 Ca -0.02 0.87 0.11 0.00 0.00 0.00 0.00 53.44 54.41 1gks n ALA 35 Cb 0.41 -0.58 0.06 0.00 0.00 0.00 0.00 19.45 19.35 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 -5.23 2.03 -4.71 0.00 9.92 -1.26 -4.93 116.55 112.37 1gks n ASP 36 Ca 0.16 -1.51 -0.40 0.00 -0.53 0.00 0.00 54.79 52.51 1gks n ASP 36 Cb 0.50 0.37 -0.05 0.00 -0.64 0.00 0.00 41.12 41.30 1gks n ASP 36 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1gks s ARG 37 N -2.41 4.39 -0.06 -1.24 0.52 0.40 -5.01 118.95 115.54 1gks s ARG 37 Ca 0.21 0.82 -0.36 0.00 -0.52 0.00 0.00 55.73 55.87 1gks s ARG 37 Cb 0.19 -3.47 -0.14 0.00 0.52 0.00 0.00 34.95 32.04 1gks s ARG 37 CO 0.53 0.01 1.69 -2.30 0.02 0.00 0.00 175.30 175.25 1gks n PRO 38 N 4.01 1.71 0.28 3.54 -0.02 -1.26 -4.84 135.00 138.41 1gks n PRO 38 Ca -0.01 0.62 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1gks n PRO 38 Cb 0.51 -2.37 0.82 0.00 -0.02 0.00 0.00 33.50 32.44 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 7.17 0.00 -0.40 2.55 4.64 -1.95 -3.43 113.55 122.13 1gks h SER 39 Ca -0.47 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.54 1gks h SER 39 Cb 1.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.33 1gks h SER 39 CO 0.91 0.08 1.34 -1.20 -0.87 0.00 0.00 176.83 177.08 1gks n SER 40 N -3.51 0.54 -0.32 4.97 7.64 -1.26 -4.81 113.62 116.86 1gks n SER 40 Ca -0.02 -0.65 0.13 0.00 1.01 0.00 0.00 58.87 59.34 1gks n SER 40 Cb 0.20 -1.13 0.32 0.00 -1.01 0.00 0.00 64.21 62.59 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 7.54 0.58 -1.00 0.44 2.07 -1.99 0.22 116.25 124.12 1gks h VAL 41 Ca -0.04 -0.19 0.21 0.00 0.82 0.00 0.00 66.70 67.50 1gks h VAL 41 Cb 1.16 -0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 1gks h VAL 41 CO 1.31 0.10 0.62 -0.78 0.02 0.00 0.00 177.57 178.84 1gks h ASP 42 N 0.55 0.66 0.01 0.57 3.58 -1.97 0.14 116.42 119.96 1gks h ASP 42 Ca 0.57 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 58.10 1gks h ASP 42 Cb 1.00 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1gks h ASP 42 CO -0.46 0.21 -0.05 -0.33 -2.88 0.00 0.00 179.24 175.72 1gks h GLU 43 N 0.62 0.02 -0.97 0.28 5.08 -1.00 -3.34 114.58 115.28 1gks h GLU 43 Ca 0.57 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 59.06 1gks h GLU 43 Cb 1.09 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 1gks h GLU 43 CO -0.35 0.99 0.57 -0.07 -1.00 0.00 0.00 179.01 179.16 1gks h LEU 44 N -0.94 0.76 -1.36 1.33 3.38 -0.36 0.17 115.31 118.29 1gks h LEU 44 Ca -0.01 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1gks h LEU 44 Cb 1.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1gks h LEU 44 CO 0.01 0.32 0.20 -0.37 0.09 0.00 0.00 178.44 178.69 1gks h VAL 45 N 0.79 1.16 -0.23 1.22 -1.51 -0.90 -0.03 116.25 116.74 1gks h VAL 45 Ca 0.53 -0.48 -0.03 0.00 -1.23 0.00 0.00 66.70 65.49 1gks h VAL 45 Cb 0.74 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 1gks h VAL 45 CO -0.35 0.19 0.01 -0.33 -1.23 0.00 0.00 177.57 175.86 1gks h GLU 46 N 0.64 0.41 -0.64 5.19 4.39 -0.80 0.28 114.58 124.06 1gks h GLU 46 Ca 0.16 -0.12 0.11 0.00 0.34 0.00 0.00 59.36 59.84 1gks h GLU 46 Cb 0.09 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.62 1gks h GLU 46 CO -0.02 0.57 0.22 0.77 -1.16 0.00 0.00 179.01 179.39 1gks h SER 47 N 0.19 0.18 -0.23 1.42 0.02 -0.87 0.47 113.55 114.74 1gks h SER 47 Ca 0.07 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1gks h SER 47 Cb 0.38 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1gks h SER 47 CO 0.01 0.10 -0.20 0.74 -1.14 0.00 0.00 176.83 176.34 1gks h THR 48 N 0.38 1.32 0.01 -2.27 2.02 -0.68 0.22 112.91 113.91 1gks h THR 48 Ca 0.33 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 66.17 1gks h THR 48 Cb 0.45 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1gks h THR 48 CO -0.35 0.42 -0.08 -0.07 0.37 0.00 0.00 175.52 175.81 1gks h LEU 49 N 0.23 -0.22 -0.39 2.58 3.38 0.04 -0.72 115.31 120.22 1gks h LEU 49 Ca 0.04 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 1gks h LEU 49 Cb 0.74 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1gks h LEU 49 CO 0.05 -0.12 -0.81 0.00 0.09 0.00 0.00 178.44 177.66 1gks h ALA 50 N 0.83 0.66 0.00 1.53 0.00 -0.95 -0.42 119.26 120.90 1gks h ALA 50 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1gks h ALA 50 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1gks h ALA 50 CO -0.07 0.96 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1gks n GLY 51 N 0.76 1.92 3.12 0.00 0.00 0.76 -4.05 105.19 107.70 1gks n GLY 51 Ca -0.01 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.64 0.49 6.42 1.61 2.20 0.06 -4.74 119.74 123.15 1gks s LYS 52 Ca 0.00 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1gks s LYS 52 Cb 0.00 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 1gks s LYS 52 CO 0.00 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 1gks n GLY 53 N 5.41 2.38 0.13 5.54 0.00 -1.26 -0.42 105.19 116.97 1gks n GLY 53 Ca -0.03 0.33 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.96 0.84 -2.29 4.61 0.00 -1.98 -3.44 119.26 116.03 1gks h ALA 54 Ca 0.00 -0.62 -0.54 0.00 0.00 0.00 0.00 54.91 53.75 1gks h ALA 54 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1gks h ALA 54 CO 0.00 0.84 1.19 1.41 0.00 0.00 0.00 179.25 182.69 1gks s MET 55 N -3.48 4.09 0.75 0.00 0.00 0.44 -4.97 119.30 116.14 1gks s MET 55 Ca -0.02 2.39 -0.11 0.00 0.00 0.00 0.00 55.69 57.96 1gks s MET 55 Cb 0.12 -4.10 0.04 0.00 0.00 0.00 0.00 34.83 30.89 1gks s MET 55 CO 0.78 -0.99 1.08 -1.25 0.00 0.00 0.00 175.02 174.64 1gks s PRO 56 N 4.41 2.44 -0.07 4.11 0.04 -1.26 -0.76 135.00 143.91 1gks s PRO 56 Ca 0.83 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 1gks s PRO 56 Cb -0.38 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1gks s PRO 56 CO 0.36 -1.48 1.63 0.00 0.04 0.00 0.00 177.00 177.55 1gks s ALA 57 N -2.97 3.61 -1.76 8.56 0.00 -1.26 -4.16 121.76 123.78 1gks s ALA 57 Ca 0.60 0.89 0.28 0.00 0.00 0.00 0.00 51.96 53.73 1gks s ALA 57 Cb -0.16 -3.74 1.03 0.00 0.00 0.00 0.00 23.12 20.25 1gks s ALA 57 CO 0.56 -1.41 1.74 0.66 0.00 0.00 0.00 175.76 177.31 1gks n TYR 58 N 7.16 0.00 -1.55 0.00 4.02 -0.29 -4.80 117.16 121.70 1gks n TYR 58 Ca 0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.92 1gks n TYR 58 Cb 0.43 -0.14 -0.09 0.00 -0.02 0.00 0.00 39.34 39.52 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 -0.75 1.43 0.00 7.72 2.03 -0.40 -0.11 116.55 126.47 1gks n ASP 59 Ca 0.14 -1.46 0.00 0.00 0.52 0.00 0.00 54.79 53.99 1gks n ASP 59 Cb 0.31 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 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 6.63 2.37 0.12 0.27 0.00 -1.26 -4.94 105.19 108.38 1gks n GLY 60 Ca 0.48 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 0.26 -3.38 1.61 3.08 -0.82 -3.46 114.38 111.67 1gks h ARG 61 Ca 0.00 -0.44 -0.31 0.00 0.07 0.00 0.00 59.98 59.30 1gks h ARG 61 Cb 0.00 0.16 -0.35 0.00 0.08 0.00 0.00 29.97 29.86 1gks h ARG 61 CO 0.00 1.11 -0.70 0.00 -1.07 0.00 0.00 179.97 179.31 1gks s ALA 62 N -2.59 0.05 0.44 0.04 0.00 -0.22 -4.60 121.76 114.88 1gks s ALA 62 Ca -0.14 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 1gks s ALA 62 Cb 0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 1gks s ALA 62 CO 0.82 -0.27 0.86 0.34 0.00 0.00 0.00 175.76 177.51 1gks s ASP 63 N 1.53 6.63 0.14 0.00 2.15 -1.26 -4.44 116.67 121.42 1gks s ASP 63 Ca -0.04 1.36 -0.00 0.00 0.43 0.00 0.00 52.55 54.30 1gks s ASP 63 Cb -0.12 -2.42 0.31 0.00 -0.30 0.00 0.00 42.92 40.39 1gks s ASP 63 CO -0.04 -0.44 0.72 -1.14 -0.17 0.00 0.00 175.17 174.10 1gks n ARG 64 N -1.21 -0.04 0.06 4.34 0.63 -1.26 0.23 116.66 119.40 1gks n ARG 64 Ca 0.04 0.70 -0.13 0.00 -0.92 0.00 0.00 57.85 57.54 1gks n ARG 64 Cb 0.54 -1.09 -0.08 0.00 0.45 0.00 0.00 32.46 32.28 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 -0.08 0.15 -0.14 5.08 -1.99 0.23 114.58 117.83 1gks h GLU 65 Ca 0.26 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1gks h GLU 65 Cb 0.51 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1gks h GLU 65 CO -0.44 0.08 -0.30 -0.44 -1.00 0.00 0.00 179.01 176.90 1gks h ASP 66 N -0.23 -0.86 0.00 1.42 3.32 -0.58 -1.83 116.42 117.67 1gks h ASP 66 Ca -0.01 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1gks h ASP 66 Cb 0.20 0.32 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 1gks h ASP 66 CO 0.01 -0.40 -0.52 -0.07 -1.72 0.00 0.00 179.24 176.55 1gks h LEU 67 N -0.54 -1.59 -0.82 1.55 3.38 -0.92 -1.18 115.31 115.18 1gks h LEU 67 Ca 0.02 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1gks h LEU 67 Cb 0.56 0.60 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 1gks h LEU 67 CO -0.16 -0.50 -0.46 0.58 0.09 0.00 0.00 178.44 177.99 1gks h VAL 68 N -0.65 0.03 -0.75 1.22 2.07 -0.36 0.22 116.25 118.03 1gks h VAL 68 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1gks h VAL 68 Cb 0.69 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1gks h VAL 68 CO -0.34 0.00 0.44 0.11 0.02 0.00 0.00 177.57 177.80 1gks h LYS 69 N -0.10 0.78 0.22 1.57 1.57 -0.81 0.12 116.57 119.93 1gks h LYS 69 Ca 0.23 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1gks h LYS 69 Cb 0.54 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1gks h LYS 69 CO -0.85 0.52 -0.11 0.00 -0.57 0.00 0.00 179.45 178.44 1gks h ALA 70 N 1.37 -0.30 -0.52 3.86 0.00 0.34 -2.13 119.26 121.89 1gks h ALA 70 Ca 0.33 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1gks h ALA 70 Cb 0.17 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1gks h ALA 70 CO -0.18 -0.54 0.17 0.82 0.00 0.00 0.00 179.25 179.52 1gks h ILE 71 N -0.55 0.80 -0.15 0.00 2.04 -0.41 0.12 117.51 119.36 1gks h ILE 71 Ca -0.03 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1gks h ILE 71 Cb 0.41 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1gks h ILE 71 CO 0.05 0.06 -0.19 -0.33 0.00 0.00 0.00 178.15 177.74 1gks h GLU 72 N 0.34 -0.23 -0.16 2.37 4.39 -0.71 0.58 114.58 121.15 1gks h GLU 72 Ca 0.25 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.01 1gks h GLU 72 Cb 0.29 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1gks h GLU 72 CO -0.27 -0.15 -0.07 -0.92 -1.16 0.00 0.00 179.01 176.43 1gks h TYR 73 N -0.24 -0.17 -0.01 4.33 3.20 -0.62 0.10 116.97 123.57 1gks h TYR 73 Ca 0.10 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1gks h TYR 73 Cb 0.39 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 1gks h TYR 73 CO -0.31 -0.12 -0.46 0.52 -1.64 0.00 0.00 178.16 176.15 1gks h MET 74 N -0.06 -0.58 -0.74 1.82 2.86 -0.11 -1.56 114.93 116.56 1gks h MET 74 Ca 0.09 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1gks h MET 74 Cb 0.19 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1gks h MET 74 CO -0.20 -0.39 0.49 -0.07 1.06 0.00 0.00 176.91 177.80 1gks h LEU 75 N -0.61 0.73 -4.36 1.22 4.07 -0.71 -3.19 115.31 112.46 1gks h LEU 75 Ca 0.04 -0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.83 1gks h LEU 75 Cb 0.68 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 1gks h LEU 75 CO -0.34 0.48 0.15 -1.20 -1.08 0.00 0.00 178.44 176.45 1gks n SER 76 N -4.47 4.09 0.00 -0.43 7.64 0.34 -2.05 113.62 118.74 1gks n SER 76 Ca 0.10 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.74 1gks n SER 76 Cb 0.18 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 2.75 0.00 0.00 0.44 -2.24 -1.21 -4.96 114.28 109.06 1gks n THR 77 Ca 0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1gks n THR 77 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68