#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 1.12 0.78 6.12 0.00 -1.95 -0.75 103.07 108.40 1gks h GLY 2 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1gks h GLY 2 CO 0.00 -0.03 -0.49 0.83 0.00 0.00 0.00 176.54 176.86 1gks h GLU 3 N 0.52 -1.12 -0.72 4.80 5.08 -1.92 0.17 114.58 121.39 1gks h GLU 3 Ca 0.39 0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.92 1gks h GLU 3 Cb 0.52 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 1gks h GLU 3 CO -0.34 -0.75 0.36 0.66 -1.00 0.00 0.00 179.01 177.94 1gks h SER 4 N -1.17 0.47 0.38 1.42 4.64 -1.89 0.17 113.55 117.57 1gks h SER 4 Ca -0.10 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1gks h SER 4 Cb 0.94 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1gks h SER 4 CO 0.08 0.26 -0.29 0.40 -0.87 0.00 0.00 176.83 176.42 1gks h ILE 5 N 0.60 0.40 -0.27 0.95 2.04 -0.93 0.57 117.51 120.88 1gks h ILE 5 Ca 0.36 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 1gks h ILE 5 Cb 0.38 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1gks h ILE 5 CO -0.27 0.00 0.07 0.22 0.00 0.00 0.00 178.15 178.17 1gks h TYR 6 N -0.66 0.13 0.13 1.37 5.03 -0.39 -0.12 116.97 122.45 1gks h TYR 6 Ca -0.03 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1gks h TYR 6 Cb 0.57 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1gks h TYR 6 CO -0.14 0.05 -0.06 0.82 -1.32 0.00 0.00 178.16 177.51 1gks h ILE 7 N 0.18 1.00 0.00 1.81 2.04 -0.51 -2.75 117.51 119.28 1gks h ILE 7 Ca 0.12 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1gks h ILE 7 Cb 0.11 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1gks h ILE 7 CO -0.15 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 174.93 1gks n ASN 8 N -5.05 0.00 -2.00 1.72 2.85 0.01 -4.61 115.26 108.18 1gks n ASN 8 Ca -0.09 -1.00 -0.24 0.00 -0.11 0.00 0.00 54.58 53.14 1gks n ASN 8 Cb 0.19 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.32 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 5.59 3.09 8.20 0.00 -0.08 -4.94 105.19 117.06 1gks n GLY 9 Ca 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 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 -4.21 0.42 -0.18 2.61 -4.23 -1.10 -4.69 115.64 104.25 1gks s THR 10 Ca 0.56 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1gks s THR 10 Cb 0.46 -1.16 0.06 0.00 1.34 0.00 0.00 72.50 73.19 1gks s THR 10 CO 0.02 -0.74 0.04 0.00 -0.54 0.00 0.00 174.62 173.39 1gks s ALA 11 N -2.87 0.94 0.96 3.99 0.00 -1.26 -2.53 121.76 120.99 1gks s ALA 11 Ca 0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 1gks s ALA 11 Cb 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 23.12 22.07 1gks s ALA 11 CO -0.05 -1.12 0.65 -2.30 0.00 0.00 0.00 175.76 172.94 1gks n PRO 12 N 5.07 -0.49 -2.15 0.00 -0.02 -1.26 -4.87 135.00 131.29 1gks n PRO 12 Ca -0.09 -0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 60.87 1gks n PRO 12 Cb 0.47 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.47 3.74 0.26 3.45 -4.23 -1.05 -4.90 115.64 110.44 1gks s THR 13 Ca 0.60 0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 61.88 1gks s THR 13 Cb -0.21 -3.76 0.32 0.00 1.34 0.00 0.00 72.50 70.19 1gks s THR 13 CO 0.64 -0.31 1.61 0.00 -0.54 0.00 0.00 174.62 176.02 1gks h SER 15 N 0.05 -0.50 -1.03 0.00 4.64 -1.74 -0.36 113.55 114.61 1gks h SER 15 Ca 0.43 0.24 0.27 0.00 -0.47 0.00 0.00 61.79 62.26 1gks h SER 15 Cb 0.76 0.43 -0.08 0.00 -0.31 0.00 0.00 62.40 63.21 1gks h SER 15 CO -0.76 -0.25 0.69 0.28 -0.87 0.00 0.00 176.83 175.91 1gks h SER 16 N 0.05 0.33 0.00 4.97 0.02 -1.37 0.21 113.55 117.76 1gks h SER 16 Ca 0.47 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.40 1gks h SER 16 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1gks h SER 16 CO -0.80 0.08 -1.09 0.00 -1.14 0.00 0.00 176.83 173.88 1gks h HIS 18 N -1.00 0.74 -0.47 0.00 3.86 -1.03 0.32 115.15 117.58 1gks h HIS 18 Ca -0.12 -0.16 -0.10 0.00 -1.16 0.00 0.00 60.37 58.83 1gks h HIS 18 Cb 0.97 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 1gks h HIS 18 CO -0.29 0.82 -0.10 0.22 0.86 0.00 0.00 177.93 179.44 1gks h ASP 19 N 0.58 0.91 0.82 2.45 1.82 -0.78 -2.81 116.42 119.41 1gks h ASP 19 Ca 0.09 -0.35 -0.18 0.00 -0.39 0.00 0.00 57.03 56.20 1gks h ASP 19 Cb 0.69 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1gks h ASP 19 CO 0.05 1.05 -0.84 0.03 -1.61 0.00 0.00 179.24 177.93 1gks h ARG 20 N 0.75 0.01 -1.20 0.28 -0.00 -1.60 -3.48 114.38 109.14 1gks h ARG 20 Ca 0.12 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.52 1gks h ARG 20 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.63 1gks h ARG 20 CO 0.04 0.84 -0.10 0.41 0.00 0.00 0.00 179.97 181.16 1gks n GLY 21 N 0.87 0.49 3.76 0.04 0.00 0.10 -4.99 105.19 105.47 1gks n GLY 21 Ca -0.01 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.65 2.05 -1.13 1.61 0.11 -0.41 -1.10 120.40 118.87 1gks s VAL 22 Ca 0.05 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1gks s VAL 22 Cb -0.02 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1gks s VAL 22 CO 0.07 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 171.84 1gks n ALA 23 N 1.53 -0.67 -1.70 1.54 0.00 -1.26 -0.70 120.51 119.25 1gks n ALA 23 Ca 0.05 0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 1gks n ALA 23 Cb 0.38 -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 -0.71 0.57 3.64 0.00 0.00 -0.26 -4.98 105.19 103.45 1gks n GLY 24 Ca -0.15 -0.56 -0.47 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.07 0.52 -1.48 4.61 0.00 0.12 -4.74 120.51 119.47 1gks n ALA 25 Ca -0.10 0.44 -0.44 0.00 0.00 0.00 0.00 53.44 53.34 1gks n ALA 25 Cb 0.44 -2.22 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 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 2.36 0.68 -1.54 0.00 -0.01 -1.26 -4.54 135.00 130.70 1gks n PRO 26 Ca 0.14 0.11 -0.30 0.00 -0.01 0.00 0.00 63.50 63.44 1gks n PRO 26 Cb 0.28 -2.39 0.19 0.00 -0.01 0.00 0.00 33.50 31.58 1gks n PRO 26 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 175.50 174.28 1gks s GLU 27 N 7.58 0.07 0.06 -0.52 8.01 -1.26 -4.89 118.70 127.76 1gks s GLU 27 Ca 1.15 -0.14 -0.14 0.00 0.01 0.00 0.00 54.97 55.85 1gks s GLU 27 Cb -0.83 -1.75 -0.06 0.00 -4.31 0.00 0.00 34.13 27.17 1gks s GLU 27 CO 0.44 -2.84 0.46 -0.51 0.01 0.00 0.00 175.26 172.82 1gks s LEU 28 N -6.30 4.42 -1.32 1.80 1.02 -1.26 -3.72 118.68 113.32 1gks s LEU 28 Ca 0.71 0.98 -0.02 0.00 0.02 0.00 0.00 54.13 55.81 1gks s LEU 28 Cb -0.08 -2.88 0.00 0.00 0.02 0.00 0.00 46.19 43.25 1gks s LEU 28 CO 0.54 0.23 0.29 0.59 0.02 0.00 0.00 176.35 178.02 1gks n ASN 29 N 1.34 -5.11 -2.83 2.29 3.02 -1.22 -4.97 115.26 107.78 1gks n ASN 29 Ca -0.10 -0.14 -0.22 0.00 -0.03 0.00 0.00 54.58 54.08 1gks n ASN 29 Cb 0.52 -4.06 -0.02 0.00 -0.61 0.00 0.00 39.78 35.62 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 -2.64 3.98 -0.30 5.41 0.00 -1.24 -4.94 120.51 120.78 1gks n ALA 30 Ca -0.13 -4.07 0.13 0.00 0.00 0.00 0.00 53.44 49.36 1gks n ALA 30 Cb 0.62 -0.76 0.25 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.16 -0.07 -0.33 0.00 -0.02 -1.26 -1.02 135.00 132.15 1gks n PRO 31 Ca 0.28 1.28 0.16 0.00 -2.02 0.00 0.00 63.50 63.20 1gks n PRO 31 Cb 0.59 -2.03 0.32 0.00 -0.02 0.00 0.00 33.50 32.36 1gks n PRO 31 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gks h GLU 32 N 0.00 0.05 0.00 -0.52 4.81 -1.98 0.29 114.58 117.23 1gks h GLU 32 Ca 0.52 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.66 1gks h GLU 32 Cb 1.07 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1gks h GLU 32 CO -0.80 0.03 -0.43 0.22 -0.73 0.00 0.00 179.01 177.30 1gks h ASP 33 N 0.05 0.00 0.74 1.04 1.82 -1.47 -3.24 116.42 115.35 1gks h ASP 33 Ca 0.62 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 57.15 1gks h ASP 33 Cb 1.32 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.32 1gks h ASP 33 CO -0.85 0.43 -1.34 0.79 -1.61 0.00 0.00 179.24 176.66 1gks n TRP 34 N -3.32 0.89 -0.28 0.28 7.02 0.57 -4.52 117.44 118.07 1gks n TRP 34 Ca 0.01 0.28 0.10 0.00 -1.02 0.00 0.00 57.50 56.87 1gks n TRP 34 Cb 0.63 -1.00 0.21 0.00 -2.42 0.00 0.00 31.31 28.73 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 -2.32 0.36 0.60 6.99 0.00 0.72 -0.34 120.51 126.51 1gks n ALA 35 Ca -0.07 0.86 0.12 0.00 0.00 0.00 0.00 53.44 54.35 1gks n ALA 35 Cb 0.73 -0.60 0.10 0.00 0.00 0.00 0.00 19.45 19.68 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 -5.17 0.64 -4.80 0.00 9.92 -1.26 -4.93 116.55 110.95 1gks n ASP 36 Ca 0.17 -0.07 -0.35 0.00 -0.53 0.00 0.00 54.79 54.01 1gks n ASP 36 Cb 0.56 0.48 -0.06 0.00 -0.64 0.00 0.00 41.12 41.47 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 -3.17 4.28 -0.29 -1.24 0.52 0.54 -4.97 118.95 114.62 1gks s ARG 37 Ca 0.05 1.28 -0.28 0.00 -0.52 0.00 0.00 55.73 56.26 1gks s ARG 37 Cb 0.14 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1gks s ARG 37 CO 0.76 -0.00 1.89 -1.25 0.02 0.00 0.00 175.30 176.72 1gks s PRO 38 N -2.72 3.32 0.56 3.54 0.04 -1.26 -4.84 135.00 133.64 1gks s PRO 38 Ca 0.58 1.60 0.27 0.00 0.04 0.00 0.00 61.00 63.49 1gks s PRO 38 Cb -0.15 -4.23 1.51 0.00 0.04 0.00 0.00 34.50 31.67 1gks s PRO 38 CO 0.20 -1.87 2.03 0.77 0.04 0.00 0.00 177.00 178.16 1gks h SER 39 N 13.24 0.00 -1.19 6.66 0.02 -1.93 -3.40 113.55 126.95 1gks h SER 39 Ca -0.36 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.95 1gks h SER 39 Cb 1.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1gks h SER 39 CO 1.01 0.00 1.45 -1.20 -1.14 0.00 0.00 176.83 176.95 1gks n SER 40 N -4.03 2.22 -0.31 3.07 7.64 -1.26 -4.85 113.62 116.10 1gks n SER 40 Ca 0.06 0.33 0.08 0.00 1.01 0.00 0.00 58.87 60.35 1gks n SER 40 Cb 0.48 -1.30 0.24 0.00 -1.01 0.00 0.00 64.21 62.62 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 7.16 0.72 -0.02 0.44 2.07 -1.99 0.13 116.25 124.76 1gks h VAL 41 Ca -0.28 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1gks h VAL 41 Cb 1.31 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1gks h VAL 41 CO 1.03 0.12 0.11 0.44 0.02 0.00 0.00 177.57 179.29 1gks h ASP 42 N 0.65 0.00 0.00 0.57 5.19 -1.94 0.14 116.42 121.02 1gks h ASP 42 Ca 0.49 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.70 1gks h ASP 42 Cb 0.70 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.18 1gks h ASP 42 CO -0.37 0.00 -1.34 -0.62 -3.12 0.00 0.00 179.24 173.79 1gks n GLU 43 N -3.16 0.54 -0.32 3.56 1.02 0.33 -4.31 120.64 118.30 1gks n GLU 43 Ca -0.02 0.44 0.16 0.00 -0.02 0.00 0.00 57.16 57.72 1gks n GLU 43 Cb 0.18 -1.63 0.35 0.00 -0.02 0.00 0.00 31.44 30.32 1gks n GLU 43 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1gks h LEU 44 N -1.00 0.43 -1.30 -4.62 3.38 -0.71 0.17 115.31 111.67 1gks h LEU 44 Ca -0.30 0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1gks h LEU 44 Cb 1.14 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 1gks h LEU 44 CO -0.18 0.01 0.48 1.62 0.09 0.00 0.00 178.44 180.46 1gks h VAL 45 N 0.43 1.17 -0.12 1.22 3.04 -0.97 -0.15 116.25 120.87 1gks h VAL 45 Ca 0.60 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.95 1gks h VAL 45 Cb 1.18 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1gks h VAL 45 CO -0.53 0.17 0.03 -0.33 -1.01 0.00 0.00 177.57 175.91 1gks h GLU 46 N 0.96 0.20 -0.63 4.17 5.08 -0.85 0.21 114.58 123.72 1gks h GLU 46 Ca 0.27 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 1gks h GLU 46 Cb -0.07 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.07 1gks h GLU 46 CO -0.06 0.37 0.19 0.77 -1.00 0.00 0.00 179.01 179.27 1gks h SER 47 N -0.00 0.12 -0.46 1.42 0.02 -1.12 0.81 113.55 114.32 1gks h SER 47 Ca 0.04 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 1gks h SER 47 Cb 0.26 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1gks h SER 47 CO 0.00 0.06 -0.16 0.74 -1.14 0.00 0.00 176.83 176.33 1gks h THR 48 N 0.33 1.27 0.49 -2.27 2.02 -0.69 0.34 112.91 114.41 1gks h THR 48 Ca 0.33 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1gks h THR 48 Cb 0.47 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1gks h THR 48 CO -0.38 0.45 -0.24 -0.07 0.37 0.00 0.00 175.52 175.65 1gks h LEU 49 N 0.77 -0.56 -0.53 2.58 3.38 0.20 -1.04 115.31 120.11 1gks h LEU 49 Ca 0.11 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1gks h LEU 49 Cb 0.72 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1gks h LEU 49 CO 0.05 -0.26 -0.73 0.00 0.09 0.00 0.00 178.44 177.59 1gks h ALA 50 N -0.48 0.78 0.00 1.53 0.00 -0.93 -0.56 119.26 119.60 1gks h ALA 50 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1gks h ALA 50 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1gks h ALA 50 CO 0.11 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.67 1gks n GLY 51 N 0.57 2.30 3.31 0.00 0.00 0.12 -4.53 105.19 106.97 1gks n GLY 51 Ca -0.01 -1.79 -0.13 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 -3.72 0.56 2.07 1.61 2.20 -1.23 -4.80 119.74 116.44 1gks s LYS 52 Ca 0.00 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1gks s LYS 52 Cb 0.00 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 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 2.39 0.57 0.29 5.54 0.00 -1.26 -0.68 105.19 112.04 1gks n GLY 53 Ca -0.15 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 5.30 1.63 -1.95 4.61 0.00 -1.26 -5.11 120.51 123.74 1gks n ALA 54 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 1gks n ALA 54 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1gks n ALA 54 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1gks s MET 55 N -0.11 4.34 -1.23 0.00 -1.94 0.14 -4.90 119.30 115.60 1gks s MET 55 Ca 0.01 2.15 -0.20 0.00 -1.71 0.00 0.00 55.69 55.95 1gks s MET 55 Cb 0.01 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.68 1gks s MET 55 CO 0.00 -0.31 1.87 -0.35 -0.01 0.00 0.00 175.02 176.21 1gks n PRO 56 N 2.47 2.44 0.00 2.03 -0.04 -1.26 -4.35 135.00 136.29 1gks n PRO 56 Ca 0.06 -2.81 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 1gks n PRO 56 Cb 0.42 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 1gks n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gks n ALA 57 N 10.40 0.00 1.08 0.55 0.00 -1.26 -4.79 120.51 126.49 1gks n ALA 57 Ca 0.48 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.04 1gks n ALA 57 Cb 0.45 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.49 1gks n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gks n TYR 58 N 0.00 0.00 -1.54 0.00 4.02 -0.39 -4.84 117.16 114.40 1gks n TYR 58 Ca 0.00 0.00 -0.56 0.00 -0.01 0.00 0.00 57.90 57.33 1gks n TYR 58 Cb 0.00 -0.33 -0.08 0.00 -0.02 0.00 0.00 39.34 38.91 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 -1.33 1.97 0.00 7.72 2.03 -0.31 -0.45 116.55 126.18 1gks n ASP 59 Ca 0.10 0.78 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1gks n ASP 59 Cb 0.21 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 5.58 3.11 0.10 0.27 0.00 -1.26 -4.86 105.19 108.13 1gks n GLY 60 Ca 0.37 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 1gks n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gks n ARG 61 N -0.61 0.54 -4.71 1.61 1.74 0.41 -4.88 116.66 110.76 1gks n ARG 61 Ca 0.00 0.56 -0.33 0.00 -0.77 0.00 0.00 57.85 57.30 1gks n ARG 61 Cb 0.00 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.58 1gks n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gks s ALA 62 N -2.46 2.76 0.38 7.54 0.00 -0.75 -4.97 121.76 124.26 1gks s ALA 62 Ca -0.26 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 50.58 1gks s ALA 62 Cb 0.05 -1.23 -0.10 0.00 0.00 0.00 0.00 23.12 21.84 1gks s ALA 62 CO 0.50 0.36 0.95 0.34 0.00 0.00 0.00 175.76 177.91 1gks s ASP 63 N -0.07 7.12 0.19 0.00 2.15 -1.26 -4.61 116.67 120.19 1gks s ASP 63 Ca -0.01 1.75 0.03 0.00 0.43 0.00 0.00 52.55 54.75 1gks s ASP 63 Cb -0.14 -2.56 0.52 0.00 -0.30 0.00 0.00 42.92 40.44 1gks s ASP 63 CO 0.03 -0.22 0.96 -1.14 -0.17 0.00 0.00 175.17 174.63 1gks n ARG 64 N -0.09 -0.05 -0.07 4.34 0.63 -1.26 0.37 116.66 120.54 1gks n ARG 64 Ca 0.05 0.91 -0.10 0.00 -0.92 0.00 0.00 57.85 57.78 1gks n ARG 64 Cb 0.52 -1.46 -0.04 0.00 0.45 0.00 0.00 32.46 31.93 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 0.34 0.59 -0.14 5.08 -1.98 0.19 114.58 118.66 1gks h GLU 65 Ca 0.39 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1gks h GLU 65 Cb 0.85 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1gks h GLU 65 CO -0.56 0.38 -0.44 -0.44 -1.00 0.00 0.00 179.01 176.95 1gks h ASP 66 N 0.23 -1.16 -0.37 1.42 3.32 -0.45 -1.64 116.42 117.77 1gks h ASP 66 Ca 0.08 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1gks h ASP 66 Cb 0.16 0.36 -0.09 0.00 0.22 0.00 0.00 39.33 39.99 1gks h ASP 66 CO -0.01 -0.65 -0.45 -0.07 -1.72 0.00 0.00 179.24 176.35 1gks h LEU 67 N -1.00 -1.49 -0.46 1.55 3.38 -1.11 -0.65 115.31 115.53 1gks h LEU 67 Ca -0.07 0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1gks h LEU 67 Cb 0.84 0.64 -0.09 0.00 0.09 0.00 0.00 40.66 42.13 1gks h LEU 67 CO 0.02 -0.38 -0.45 0.58 0.09 0.00 0.00 178.44 178.30 1gks h VAL 68 N -0.36 0.09 -0.70 1.22 2.07 -0.49 0.20 116.25 118.27 1gks h VAL 68 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1gks h VAL 68 Cb 0.59 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1gks h VAL 68 CO -0.56 0.00 0.40 0.11 0.02 0.00 0.00 177.57 177.54 1gks h LYS 69 N -0.31 0.71 0.02 1.57 1.57 -0.60 0.11 116.57 119.64 1gks h LYS 69 Ca 0.14 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1gks h LYS 69 Cb 0.58 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1gks h LYS 69 CO -0.61 0.47 -0.01 0.00 -0.57 0.00 0.00 179.45 178.73 1gks h ALA 70 N 1.36 -0.03 -0.35 3.86 0.00 0.05 -1.57 119.26 122.57 1gks h ALA 70 Ca 0.31 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1gks h ALA 70 Cb 0.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1gks h ALA 70 CO -0.18 -0.45 0.15 0.82 0.00 0.00 0.00 179.25 179.59 1gks h ILE 71 N -0.16 0.95 -0.11 0.00 2.04 -0.23 0.11 117.51 120.12 1gks h ILE 71 Ca -0.00 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1gks h ILE 71 Cb 0.14 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1gks h ILE 71 CO 0.01 0.06 -0.14 -0.33 0.00 0.00 0.00 178.15 177.75 1gks h GLU 72 N 0.32 -0.17 -0.14 2.37 5.08 -0.67 0.75 114.58 122.13 1gks h GLU 72 Ca 0.15 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1gks h GLU 72 Cb 0.09 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1gks h GLU 72 CO -0.13 -0.11 -0.09 -0.92 -1.00 0.00 0.00 179.01 176.76 1gks h TYR 73 N -0.18 -0.21 -0.20 4.33 3.20 -0.68 0.40 116.97 123.63 1gks h TYR 73 Ca 0.08 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1gks h TYR 73 Cb 0.30 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 1gks h TYR 73 CO -0.24 -0.14 -0.25 0.52 -1.64 0.00 0.00 178.16 176.41 1gks h MET 74 N -0.09 -0.27 -0.81 1.82 2.86 -0.26 -0.73 114.93 117.46 1gks h MET 74 Ca 0.08 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1gks h MET 74 Cb 0.21 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1gks h MET 74 CO -0.19 -0.18 0.53 -0.07 1.06 0.00 0.00 176.91 178.06 1gks h LEU 75 N -0.28 0.79 -3.48 1.22 3.38 -0.58 -3.10 115.31 113.26 1gks h LEU 75 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1gks h LEU 75 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1gks h LEU 75 CO -0.36 0.52 -0.01 -1.20 0.09 0.00 0.00 178.44 177.48 1gks n SER 76 N -4.48 3.38 0.00 -0.43 7.64 0.11 -1.78 113.62 118.06 1gks n SER 76 Ca 0.12 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1gks n SER 76 Cb 0.19 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 1.80 0.00 1.08 0.44 -2.24 -1.17 -5.00 114.28 109.18 1gks n THR 77 Ca 0.03 -0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1gks n THR 77 Cb 0.35 0.43 0.51 0.00 -2.10 0.00 0.00 70.33 69.52 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68