#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 0.96 0.07 0.44 0.00 -1.26 0.17 105.19 105.57 1gks n GLY 2 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 1gks n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gks n GLU 3 N 0.00 1.32 0.00 1.61 0.00 -1.26 -5.02 120.64 117.29 1gks n GLU 3 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1gks n GLU 3 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 31.44 30.13 1gks n GLU 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1gks n SER 4 N -2.67 0.00 0.26 4.31 7.64 0.13 -4.27 113.62 119.02 1gks n SER 4 Ca -0.23 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.49 1gks n SER 4 Cb 0.85 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.97 1gks n SER 4 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1gks h ILE 5 N 0.00 0.52 0.02 0.44 2.04 -1.86 0.73 117.51 119.40 1gks h ILE 5 Ca 0.00 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1gks h ILE 5 Cb 0.00 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1gks h ILE 5 CO 0.00 0.03 -0.01 0.22 0.00 0.00 0.00 178.15 178.39 1gks h TYR 6 N -0.75 -0.03 0.04 1.37 5.03 -1.88 -2.72 116.97 118.03 1gks h TYR 6 Ca -0.07 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.24 1gks h TYR 6 Cb 0.54 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1gks h TYR 6 CO -0.02 0.44 -0.02 0.82 -1.32 0.00 0.00 178.16 178.06 1gks h ILE 7 N -0.51 1.15 -0.08 1.81 1.08 -1.77 -3.15 117.51 116.05 1gks h ILE 7 Ca -0.00 -0.61 -0.23 0.00 -0.39 0.00 0.00 64.86 63.62 1gks h ILE 7 Cb 0.48 1.56 -0.17 0.00 -3.07 0.00 0.00 36.82 35.62 1gks h ILE 7 CO 0.01 0.16 -0.42 -0.46 -0.69 0.00 0.00 178.15 176.74 1gks n ASN 8 N -4.99 -1.78 -1.98 1.72 0.23 0.76 -4.62 115.26 104.60 1gks n ASN 8 Ca -0.08 -2.70 -0.04 0.00 -0.53 0.00 0.00 54.58 51.24 1gks n ASN 8 Cb 0.16 1.08 0.04 0.00 -2.08 0.00 0.00 39.78 38.99 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gks n GLY 9 N -0.39 1.39 3.16 4.83 0.00 0.22 -4.81 105.19 109.59 1gks n GLY 9 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.11 0.90 -0.25 2.61 -4.23 -1.15 -4.57 115.64 108.85 1gks s THR 10 Ca 0.07 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 1gks s THR 10 Cb 0.26 -1.26 0.08 0.00 1.34 0.00 0.00 72.50 72.92 1gks s THR 10 CO -0.08 -0.52 0.07 0.00 -0.54 0.00 0.00 174.62 173.55 1gks s ALA 11 N -2.26 1.11 0.74 3.99 0.00 -1.26 -2.07 121.76 122.01 1gks s ALA 11 Ca 0.03 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 1gks s ALA 11 Cb -0.04 -1.35 0.05 0.00 0.00 0.00 0.00 23.12 21.77 1gks s ALA 11 CO 0.00 -1.40 1.16 -1.25 0.00 0.00 0.00 175.76 174.26 1gks s PRO 12 N 1.82 2.18 0.18 0.00 0.04 -1.26 -4.97 135.00 132.99 1gks s PRO 12 Ca 0.04 1.55 -0.32 0.00 0.04 0.00 0.00 61.00 62.31 1gks s PRO 12 Cb -0.17 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1gks s PRO 12 CO -0.18 -1.76 1.62 0.95 0.04 0.00 0.00 177.00 177.68 1gks s THR 13 N -2.30 2.43 0.18 1.26 -4.23 -0.88 -4.91 115.64 107.18 1gks s THR 13 Ca 0.69 0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 61.36 1gks s THR 13 Cb -0.24 -3.19 0.11 0.00 1.34 0.00 0.00 72.50 70.52 1gks s THR 13 CO 0.47 0.02 1.69 0.00 -0.54 0.00 0.00 174.62 176.27 1gks h SER 15 N 0.13 0.68 -0.99 0.00 4.64 -1.80 -1.24 113.55 114.96 1gks h SER 15 Ca 0.24 0.12 0.27 0.00 -0.47 0.00 0.00 61.79 61.95 1gks h SER 15 Cb 0.35 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.31 1gks h SER 15 CO -0.38 0.15 0.56 0.28 -0.87 0.00 0.00 176.83 176.56 1gks h SER 16 N 0.61 0.57 0.00 4.97 0.02 -1.62 0.61 113.55 118.71 1gks h SER 16 Ca 0.62 0.16 -0.40 0.00 -0.84 0.00 0.00 61.79 61.34 1gks h SER 16 Cb 1.17 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.74 1gks h SER 16 CO -0.43 -0.00 -2.28 0.00 -1.14 0.00 0.00 176.83 172.97 1gks h HIS 18 N -1.00 0.00 -0.46 0.00 3.86 -1.13 0.30 115.15 116.71 1gks h HIS 18 Ca -0.60 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.55 1gks h HIS 18 Cb 1.52 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.97 1gks h HIS 18 CO -0.12 0.14 0.04 0.22 0.86 0.00 0.00 177.93 179.06 1gks h ASP 19 N 0.00 0.76 0.44 2.45 3.58 -1.10 -3.24 116.42 119.32 1gks h ASP 19 Ca -0.00 -0.28 -0.17 0.00 0.42 0.00 0.00 57.03 56.99 1gks h ASP 19 Cb 0.57 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1gks h ASP 19 CO 0.02 0.86 -1.71 0.54 -2.88 0.00 0.00 179.24 176.07 1gks n ARG 20 N -4.41 0.64 -2.09 0.28 3.00 -1.16 -4.90 116.66 108.02 1gks n ARG 20 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.94 1gks n ARG 20 Cb 0.28 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.04 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gks n GLY 21 N 1.43 0.88 3.75 -0.13 0.00 0.91 -5.00 105.19 107.03 1gks n GLY 21 Ca -0.13 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.68 2.38 -1.11 1.61 0.11 -0.45 -2.14 120.40 118.11 1gks s VAL 22 Ca 0.00 0.25 -0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1gks s VAL 22 Cb 0.00 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.75 1gks s VAL 22 CO 0.00 -0.04 0.01 0.00 -3.33 0.00 0.00 175.10 171.74 1gks n ALA 23 N -1.51 -0.77 -1.54 1.54 0.00 -1.26 -0.66 120.51 116.31 1gks n ALA 23 Ca 0.13 0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1gks n ALA 23 Cb 0.48 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.83 0.72 3.73 0.00 0.00 -0.91 -4.94 105.19 102.97 1gks n GLY 24 Ca -0.15 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1gks n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gks s ALA 25 N -2.36 3.83 -0.06 4.61 0.00 0.17 -4.88 121.76 123.08 1gks s ALA 25 Ca 0.00 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 1gks s ALA 25 Cb 0.00 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 1gks s ALA 25 CO 0.00 -0.94 1.85 -1.25 0.00 0.00 0.00 175.76 175.42 1gks s PRO 26 N 0.34 3.98 0.74 0.00 0.04 -1.26 -4.39 135.00 134.45 1gks s PRO 26 Ca 0.69 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.89 1gks s PRO 26 Cb -0.48 -4.12 0.04 0.00 0.04 0.00 0.00 34.50 29.98 1gks s PRO 26 CO 0.40 -1.11 1.08 -1.21 0.04 0.00 0.00 177.00 176.20 1gks s GLU 27 N 4.59 2.55 0.74 4.56 2.02 -1.26 -4.89 118.70 127.02 1gks s GLU 27 Ca 0.83 0.75 -0.11 0.00 0.02 0.00 0.00 54.97 56.45 1gks s GLU 27 Cb -0.36 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 31.95 1gks s GLU 27 CO 0.35 -1.32 1.09 -0.51 0.02 0.00 0.00 175.26 174.89 1gks s LEU 28 N -5.62 3.09 -1.32 1.80 1.02 -1.26 -3.85 118.68 112.54 1gks s LEU 28 Ca 0.59 1.80 -0.24 0.00 0.02 0.00 0.00 54.13 56.30 1gks s LEU 28 Cb -0.14 -4.52 0.03 0.00 0.02 0.00 0.00 46.19 41.59 1gks s LEU 28 CO 0.54 -1.86 0.48 -0.46 0.02 0.00 0.00 176.35 175.06 1gks n ASN 29 N -3.32 -2.55 -2.93 2.29 6.94 -1.24 -4.91 115.26 109.53 1gks n ASN 29 Ca 0.09 -1.29 -0.14 0.00 -0.02 0.00 0.00 54.58 53.22 1gks n ASN 29 Cb 0.53 -1.69 0.03 0.00 -2.36 0.00 0.00 39.78 36.29 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 -4.91 0.36 -0.30 -2.53 0.00 -1.25 -4.92 120.51 106.95 1gks n ALA 30 Ca -0.18 -2.29 0.13 0.00 0.00 0.00 0.00 53.44 51.11 1gks n ALA 30 Cb 0.61 -1.08 0.29 0.00 0.00 0.00 0.00 19.45 19.27 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 3.33 0.20 -1.00 0.00 0.13 -1.89 0.14 132.00 132.91 1gks h PRO 31 Ca -0.03 -0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.35 1gks h PRO 31 Cb 1.02 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.03 1gks h PRO 31 CO 0.32 0.13 0.67 1.05 -0.23 0.00 0.00 178.00 179.94 1gks h GLU 32 N 0.20 0.31 0.00 0.86 9.09 -1.96 0.22 114.58 123.30 1gks h GLU 32 Ca 0.55 -0.02 -0.10 0.00 0.05 0.00 0.00 59.36 59.85 1gks h GLU 32 Cb 1.12 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.14 1gks h GLU 32 CO -0.66 0.20 -0.48 -0.44 0.05 0.00 0.00 179.01 177.68 1gks h ASP 33 N 0.31 0.00 0.07 3.06 3.32 -1.09 -3.20 116.42 118.90 1gks h ASP 33 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1gks h ASP 33 Cb 1.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.06 1gks h ASP 33 CO -0.20 0.48 -1.50 0.79 -1.72 0.00 0.00 179.24 177.09 1gks n TRP 34 N -3.77 0.05 -0.26 4.55 7.02 0.49 -4.57 117.44 120.95 1gks n TRP 34 Ca -0.01 0.01 0.13 0.00 -1.02 0.00 0.00 57.50 56.62 1gks n TRP 34 Cb 0.53 -0.32 0.25 0.00 -2.42 0.00 0.00 31.31 29.35 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 -1.93 0.44 -1.47 6.99 0.00 0.33 -0.44 120.51 124.43 1gks n ALA 35 Ca -0.00 0.82 -0.07 0.00 0.00 0.00 0.00 53.44 54.19 1gks n ALA 35 Cb 0.47 -0.62 0.19 0.00 0.00 0.00 0.00 19.45 19.48 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 -5.03 2.66 -4.14 0.00 9.92 -1.26 -4.95 116.55 113.74 1gks n ASP 36 Ca 0.19 -3.79 -0.32 0.00 -0.53 0.00 0.00 54.79 50.34 1gks n ASP 36 Cb 0.64 -0.65 -0.16 0.00 -0.64 0.00 0.00 41.12 40.31 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 -3.28 2.85 -0.40 -1.24 0.52 0.41 -5.08 118.95 112.73 1gks s ARG 37 Ca 0.46 -0.79 -0.34 0.00 -0.52 0.00 0.00 55.73 54.54 1gks s ARG 37 Cb 0.41 -2.34 -0.12 0.00 0.52 0.00 0.00 34.95 33.43 1gks s ARG 37 CO 0.00 -0.05 2.24 -2.30 0.02 0.00 0.00 175.30 175.21 1gks n PRO 38 N 4.17 1.00 0.25 3.54 -0.02 -1.26 -4.82 135.00 137.87 1gks n PRO 38 Ca -0.20 0.25 0.17 0.00 -2.02 0.00 0.00 63.50 61.70 1gks n PRO 38 Cb 0.51 -2.47 0.89 0.00 -0.02 0.00 0.00 33.50 32.42 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 12.85 0.00 -0.83 2.55 0.02 -1.97 -3.41 113.55 122.76 1gks h SER 39 Ca -0.25 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.10 1gks h SER 39 Cb 1.32 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 1gks h SER 39 CO 1.05 0.00 1.54 -1.20 -1.14 0.00 0.00 176.83 177.08 1gks n SER 40 N -3.72 1.59 -0.26 3.07 7.64 -1.26 -4.84 113.62 115.84 1gks n SER 40 Ca -0.01 0.19 0.06 0.00 1.01 0.00 0.00 58.87 60.13 1gks n SER 40 Cb 0.22 -1.21 0.19 0.00 -1.01 0.00 0.00 64.21 62.40 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 7.43 0.53 -0.09 0.44 2.07 -1.99 0.12 116.25 124.77 1gks h VAL 41 Ca -0.19 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1gks h VAL 41 Cb 1.32 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1gks h VAL 41 CO 1.14 0.06 0.15 0.44 0.02 0.00 0.00 177.57 179.38 1gks h ASP 42 N 0.31 0.00 0.00 0.57 5.19 -1.96 0.15 116.42 120.68 1gks h ASP 42 Ca 0.43 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.72 1gks h ASP 42 Cb 0.73 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.22 1gks h ASP 42 CO -0.50 0.00 -0.94 -0.62 -3.12 0.00 0.00 179.24 174.07 1gks n GLU 43 N -3.50 0.51 -0.34 3.56 1.02 0.31 -4.32 120.64 117.87 1gks n GLU 43 Ca -0.01 0.54 0.14 0.00 -0.02 0.00 0.00 57.16 57.81 1gks n GLU 43 Cb 0.24 -1.71 0.35 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.74 -1.46 -4.62 3.38 -0.79 0.12 115.31 111.67 1gks h LEU 44 Ca -0.19 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1gks h LEU 44 Cb 0.92 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1gks h LEU 44 CO -0.11 0.24 0.38 1.62 0.09 0.00 0.00 178.44 180.66 1gks h VAL 45 N 0.70 1.11 -0.09 1.22 3.04 -0.92 -0.66 116.25 120.65 1gks h VAL 45 Ca 0.58 -0.25 -0.01 0.00 -1.01 0.00 0.00 66.70 66.02 1gks h VAL 45 Cb 0.99 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1gks h VAL 45 CO -0.38 0.13 0.03 -0.33 -1.01 0.00 0.00 177.57 176.01 1gks h GLU 46 N 0.72 0.14 -0.92 4.17 5.08 -0.94 0.20 114.58 123.03 1gks h GLU 46 Ca 0.22 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.71 1gks h GLU 46 Cb 0.01 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.16 1gks h GLU 46 CO -0.05 0.29 0.59 0.77 -1.00 0.00 0.00 179.01 179.61 1gks h SER 47 N -0.04 0.64 -0.01 1.42 0.02 -1.23 0.87 113.55 115.22 1gks h SER 47 Ca 0.03 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1gks h SER 47 Cb 0.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1gks h SER 47 CO -0.00 0.30 -0.24 0.74 -1.14 0.00 0.00 176.83 176.49 1gks h THR 48 N 0.66 1.52 -0.14 -2.27 2.02 -0.53 0.13 112.91 114.31 1gks h THR 48 Ca 0.48 -1.87 0.01 0.00 0.77 0.00 0.00 66.41 65.79 1gks h THR 48 Cb 0.84 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 1gks h THR 48 CO -0.23 0.51 0.08 -0.07 0.37 0.00 0.00 175.52 176.18 1gks h LEU 49 N -0.46 0.12 -0.51 2.58 3.38 -0.06 -2.00 115.31 118.36 1gks h LEU 49 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1gks h LEU 49 Cb 0.97 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1gks h LEU 49 CO 0.05 0.09 -0.68 0.00 0.09 0.00 0.00 178.44 177.99 1gks h ALA 50 N 1.06 0.71 -1.75 1.53 0.00 -0.95 0.45 119.26 120.32 1gks h ALA 50 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1gks h ALA 50 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1gks h ALA 50 CO -0.03 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1gks n GLY 51 N 0.45 -1.23 3.78 0.00 0.00 0.17 -4.00 105.19 104.36 1gks n GLY 51 Ca -0.03 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.32 4.40 6.08 1.61 2.20 0.22 -4.55 119.74 129.38 1gks s LYS 52 Ca 0.00 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 1gks s LYS 52 Cb 0.00 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 1gks s LYS 52 CO 0.00 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1gks n GLY 53 N 0.45 2.72 0.73 5.54 0.00 -1.26 -0.81 105.19 112.57 1gks n GLY 53 Ca 0.03 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.49 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 11.15 2.55 -1.79 4.61 0.00 -1.26 -4.97 120.51 130.81 1gks n ALA 54 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 1gks n ALA 54 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.03 4.53 0.60 0.00 1.00 0.01 -5.02 119.30 118.38 1gks s MET 55 Ca 0.32 1.96 -0.17 0.00 0.00 0.00 0.00 55.69 57.80 1gks s MET 55 Cb 0.20 -3.15 -0.03 0.00 0.00 0.00 0.00 34.83 31.85 1gks s MET 55 CO 0.33 0.04 1.09 -1.25 0.00 0.00 0.00 175.02 175.23 1gks s PRO 56 N -1.45 3.18 -0.20 2.03 0.04 -1.26 -4.19 135.00 133.15 1gks s PRO 56 Ca 0.47 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1gks s PRO 56 Cb -0.35 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1gks s PRO 56 CO 0.45 -0.94 1.80 0.00 0.04 0.00 0.00 177.00 178.34 1gks s ALA 57 N -2.25 3.15 -0.60 8.56 0.00 -1.26 -4.21 121.76 125.16 1gks s ALA 57 Ca 0.67 0.60 0.25 0.00 0.00 0.00 0.00 51.96 53.48 1gks s ALA 57 Cb -0.19 -3.92 0.75 0.00 0.00 0.00 0.00 23.12 19.77 1gks s ALA 57 CO 0.35 -2.16 1.74 1.88 0.00 0.00 0.00 175.76 177.58 1gks h TYR 58 N 11.81 0.00 -1.18 0.00 0.05 -0.25 -3.43 116.97 123.97 1gks h TYR 58 Ca -0.37 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 57.72 1gks h TYR 58 Cb 1.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 1gks h TYR 58 CO 0.93 0.00 1.26 -3.47 -1.05 0.00 0.00 178.16 175.83 1gks n ASP 59 N -2.48 2.18 0.00 3.88 2.03 -0.13 0.10 116.55 122.13 1gks n ASP 59 Ca 0.05 0.64 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1gks n ASP 59 Cb 0.42 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 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 5.88 3.00 0.11 0.27 0.00 -1.26 -4.82 105.19 108.37 1gks n GLY 60 Ca 0.37 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.03 1.61 3.08 -0.61 -3.45 114.38 111.25 1gks h ARG 61 Ca 0.00 -0.30 -0.30 0.00 0.07 0.00 0.00 59.98 59.46 1gks h ARG 61 Cb 0.00 0.09 -0.29 0.00 0.08 0.00 0.00 29.97 29.84 1gks h ARG 61 CO 0.00 1.01 -0.74 0.00 -1.07 0.00 0.00 179.97 179.17 1gks s ALA 62 N -3.07 0.28 0.39 0.04 0.00 -0.19 -4.89 121.76 114.32 1gks s ALA 62 Ca -0.15 -0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1gks s ALA 62 Cb 0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.92 1gks s ALA 62 CO 0.78 0.04 0.97 0.34 0.00 0.00 0.00 175.76 177.89 1gks s ASP 63 N 0.11 7.01 0.14 0.00 2.15 -1.26 -4.35 116.67 120.47 1gks s ASP 63 Ca -0.01 1.80 -0.06 0.00 0.43 0.00 0.00 52.55 54.71 1gks s ASP 63 Cb -0.03 -2.56 0.21 0.00 -0.30 0.00 0.00 42.92 40.23 1gks s ASP 63 CO -0.00 -0.31 0.82 -1.14 -0.17 0.00 0.00 175.17 174.37 1gks n ARG 64 N -0.20 -0.07 0.15 4.34 0.63 -1.26 0.41 116.66 120.67 1gks n ARG 64 Ca 0.05 0.82 0.01 0.00 -0.92 0.00 0.00 57.85 57.81 1gks n ARG 64 Cb 0.52 -1.22 0.23 0.00 0.45 0.00 0.00 32.46 32.45 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 0.00 0.63 -0.14 4.39 -1.99 0.10 114.58 117.57 1gks h GLU 65 Ca 0.23 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 1gks h GLU 65 Cb 0.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1gks h GLU 65 CO -0.54 0.53 -0.30 -0.44 -1.16 0.00 0.00 179.01 177.11 1gks h ASP 66 N 0.00 -0.71 -0.67 1.42 3.32 -0.40 -3.26 116.42 116.12 1gks h ASP 66 Ca -0.01 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.14 1gks h ASP 66 Cb 0.98 0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 1gks h ASP 66 CO 0.07 -0.34 -0.41 -0.07 -1.72 0.00 0.00 179.24 176.77 1gks h LEU 67 N -1.16 -1.45 -0.93 1.55 3.38 -0.84 -1.36 115.31 114.51 1gks h LEU 67 Ca -0.09 0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.31 1gks h LEU 67 Cb 0.68 0.68 -0.17 0.00 0.09 0.00 0.00 40.66 41.95 1gks h LEU 67 CO 0.14 -0.32 -0.28 0.52 0.09 0.00 0.00 178.44 178.59 1gks n VAL 68 N -5.41 -0.43 -0.10 1.22 0.31 0.34 -0.32 118.33 113.94 1gks n VAL 68 Ca 0.03 2.14 -0.08 0.00 -0.01 0.00 0.00 64.34 66.43 1gks n VAL 68 Cb 0.35 -2.91 -0.00 0.00 -0.91 0.00 0.00 33.84 30.38 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 0.38 -0.44 5.55 1.57 -1.29 0.12 116.57 122.47 1gks h LYS 69 Ca 0.39 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1gks h LYS 69 Cb 0.63 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1gks h LYS 69 CO -0.94 0.25 0.16 0.00 -0.57 0.00 0.00 179.45 178.35 1gks h ALA 70 N 1.16 0.57 -0.04 3.86 0.00 -0.58 -1.71 119.26 122.51 1gks h ALA 70 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gks h ALA 70 Cb 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1gks h ALA 70 CO -0.07 0.19 0.02 0.82 0.00 0.00 0.00 179.25 180.21 1gks h ILE 71 N 0.56 1.14 -0.72 0.00 2.04 -0.42 0.54 117.51 120.66 1gks h ILE 71 Ca 0.14 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1gks h ILE 71 Cb 0.22 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1gks h ILE 71 CO -0.01 0.12 0.30 1.05 0.00 0.00 0.00 178.15 179.61 1gks h GLU 72 N -0.10 1.07 0.44 2.37 -0.00 -0.71 0.31 114.58 117.96 1gks h GLU 72 Ca 0.01 -0.19 -0.01 0.00 -0.00 0.00 0.00 59.36 59.17 1gks h GLU 72 Cb 0.17 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1gks h GLU 72 CO -0.00 0.88 -0.29 -0.92 -0.00 0.00 0.00 179.01 178.67 1gks h TYR 73 N 1.03 -0.78 -0.78 2.06 3.20 -1.13 0.15 116.97 120.73 1gks h TYR 73 Ca 0.24 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.24 1gks h TYR 73 Cb 0.20 0.28 -0.14 0.00 1.54 0.00 0.00 36.73 38.61 1gks h TYR 73 CO 0.02 -0.45 -0.33 1.98 -1.64 0.00 0.00 178.16 177.74 1gks h MET 74 N -0.71 -0.07 -0.62 1.82 4.05 -0.59 0.84 114.93 119.65 1gks h MET 74 Ca -0.05 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 1gks h MET 74 Cb 0.59 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 1gks h MET 74 CO 0.03 -0.05 0.12 -0.07 0.23 0.00 0.00 176.91 177.17 1gks h LEU 75 N -0.08 0.93 -3.79 3.39 3.38 -0.63 -3.25 115.31 115.27 1gks h LEU 75 Ca 0.30 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1gks h LEU 75 Cb 0.58 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1gks h LEU 75 CO -0.82 0.92 -0.10 -1.20 0.09 0.00 0.00 178.44 177.33 1gks n SER 76 N -4.24 4.03 0.00 -0.43 7.64 0.51 -2.20 113.62 118.94 1gks n SER 76 Ca 0.04 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1gks n SER 76 Cb 0.26 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 2.17 0.00 0.19 0.44 -2.24 -1.23 -4.97 114.28 108.65 1gks n THR 77 Ca 0.18 -0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.97 1gks n THR 77 Cb 0.56 0.13 0.09 0.00 -2.10 0.00 0.00 70.33 69.01 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68