#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 1.58 1.00 6.12 0.00 -1.97 -0.80 103.07 109.01 1gks h GLY 2 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1gks h GLY 2 CO 0.00 -0.02 -0.13 -2.09 0.00 0.00 0.00 176.54 174.30 1gks h GLU 3 N 0.73 -0.34 -0.31 4.80 4.81 -1.92 0.43 114.58 122.78 1gks h GLU 3 Ca 0.52 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.84 1gks h GLU 3 Cb 0.73 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.11 1gks h GLU 3 CO -0.36 -0.23 -0.21 0.77 -0.73 0.00 0.00 179.01 178.25 1gks h SER 4 N -0.35 -0.69 0.29 1.04 0.02 -1.63 0.12 113.55 112.35 1gks h SER 4 Ca -0.03 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1gks h SER 4 Cb 0.27 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 1gks h SER 4 CO 0.06 -0.24 -0.51 0.40 -1.14 0.00 0.00 176.83 175.39 1gks h ILE 5 N -0.18 0.02 -0.45 3.27 2.04 -1.03 0.11 117.51 121.30 1gks h ILE 5 Ca 0.16 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.11 1gks h ILE 5 Cb 0.43 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 1gks h ILE 5 CO -0.42 0.00 -0.03 0.22 0.00 0.00 0.00 178.15 177.92 1gks h TYR 6 N -0.86 -0.09 0.03 1.37 5.03 -0.43 -0.88 116.97 121.14 1gks h TYR 6 Ca -0.03 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1gks h TYR 6 Cb 0.81 0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.19 1gks h TYR 6 CO -0.36 -0.12 -0.01 0.82 -1.32 0.00 0.00 178.16 177.16 1gks h ILE 7 N 0.08 1.39 0.00 1.81 2.04 -0.56 -2.83 117.51 119.43 1gks h ILE 7 Ca 0.22 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1gks h ILE 7 Cb 0.33 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1gks h ILE 7 CO -0.40 0.35 -0.04 -0.46 0.00 0.00 0.00 178.15 177.60 1gks n ASN 8 N -4.82 0.18 -1.90 1.72 0.23 0.14 -4.51 115.26 106.30 1gks n ASN 8 Ca -0.09 -0.01 -0.18 0.00 -0.53 0.00 0.00 54.58 53.77 1gks n ASN 8 Cb 0.30 0.05 0.07 0.00 -2.08 0.00 0.00 39.78 38.12 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 0.11 4.13 3.05 4.83 0.00 0.16 -4.82 105.19 112.64 1gks n GLY 9 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.54 0.46 -0.19 2.61 -4.23 -1.05 -4.67 115.64 106.04 1gks s THR 10 Ca 0.37 -1.09 -0.04 0.00 -1.18 0.00 0.00 61.69 59.74 1gks s THR 10 Cb 0.30 -0.60 0.08 0.00 1.34 0.00 0.00 72.50 73.62 1gks s THR 10 CO 0.02 -0.43 0.15 0.00 -0.54 0.00 0.00 174.62 173.82 1gks s ALA 11 N -1.51 0.13 0.74 3.99 0.00 -1.26 -2.89 121.76 120.97 1gks s ALA 11 Ca -0.10 -0.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 1gks s ALA 11 Cb -0.09 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1gks s ALA 11 CO -0.00 -1.21 1.03 -2.30 0.00 0.00 0.00 175.76 173.28 1gks n PRO 12 N 5.30 0.46 -2.16 0.00 -0.02 -1.26 -4.72 135.00 132.60 1gks n PRO 12 Ca -0.06 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1gks n PRO 12 Cb 0.49 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.86 3.58 0.14 3.45 -4.23 -1.14 -4.93 115.64 110.64 1gks s THR 13 Ca 0.74 0.97 -0.18 0.00 -1.18 0.00 0.00 61.69 62.03 1gks s THR 13 Cb -0.33 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 69.86 1gks s THR 13 CO 0.50 -0.01 1.76 0.00 -0.54 0.00 0.00 174.62 176.33 1gks n SER 15 N -5.01 -0.82 -0.51 0.00 3.41 -1.07 -0.89 113.62 108.72 1gks n SER 15 Ca -0.01 1.73 0.43 0.00 -0.26 0.00 0.00 58.87 60.75 1gks n SER 15 Cb 0.09 -0.31 0.75 0.00 -0.26 0.00 0.00 64.21 64.47 1gks n SER 15 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gks h SER 16 N 0.00 0.08 0.00 4.04 0.02 -1.84 0.11 113.55 115.95 1gks h SER 16 Ca 0.26 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.11 1gks h SER 16 Cb 0.50 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1gks h SER 16 CO -0.95 -0.03 -1.28 0.00 -1.14 0.00 0.00 176.83 173.42 1gks h HIS 18 N -0.79 0.00 -0.73 0.00 3.86 -0.80 0.30 115.15 116.99 1gks h HIS 18 Ca -0.19 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 1gks h HIS 18 Cb 1.03 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.47 1gks h HIS 18 CO -0.25 0.37 0.27 0.22 0.86 0.00 0.00 177.93 179.40 1gks h ASP 19 N 0.00 1.03 0.26 2.45 3.58 -0.98 -3.22 116.42 119.54 1gks h ASP 19 Ca -0.00 -0.17 -0.29 0.00 0.42 0.00 0.00 57.03 56.99 1gks h ASP 19 Cb 0.71 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.45 1gks h ASP 19 CO 0.05 0.93 -2.00 -1.14 -2.88 0.00 0.00 179.24 174.20 1gks n ARG 20 N -4.27 0.66 -1.35 0.28 0.63 -1.12 -4.87 116.66 106.61 1gks n ARG 20 Ca 0.06 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1gks n ARG 20 Cb 0.20 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.46 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gks n GLY 21 N 1.60 0.95 3.66 5.14 0.00 0.88 -5.01 105.19 112.40 1gks n GLY 21 Ca -0.22 -0.37 -0.46 0.00 0.00 0.00 0.00 46.02 44.97 1gks n GLY 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gks n VAL 22 N -1.32 0.64 -2.63 1.61 0.31 -0.16 -0.86 118.33 115.91 1gks n VAL 22 Ca 0.00 -0.16 -0.15 0.00 -0.01 0.00 0.00 64.34 64.02 1gks n VAL 22 Cb 0.27 -1.38 -0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1gks n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gks n ALA 23 N 2.29 -0.84 -1.50 3.52 0.00 -1.26 -0.66 120.51 122.06 1gks n ALA 23 Ca 0.14 0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 1gks n ALA 23 Cb 0.29 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.91 0.61 3.69 0.00 0.00 -0.04 -4.89 105.19 103.66 1gks n GLY 24 Ca -0.12 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 0.29 1.42 -1.70 4.61 0.00 0.17 -4.85 120.51 120.45 1gks n ALA 25 Ca -0.07 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 1gks n ALA 25 Cb 0.33 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 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 -0.90 4.15 0.70 0.00 0.04 -1.26 -4.48 135.00 133.24 1gks s PRO 26 Ca 0.63 2.58 -0.08 0.00 0.04 0.00 0.00 61.00 64.16 1gks s PRO 26 Cb -0.60 -4.13 0.05 0.00 0.04 0.00 0.00 34.50 29.86 1gks s PRO 26 CO 0.54 -0.94 1.04 -1.21 0.04 0.00 0.00 177.00 176.46 1gks s GLU 27 N 4.38 2.41 0.76 4.56 2.02 -1.26 -4.88 118.70 126.68 1gks s GLU 27 Ca 0.87 -0.00 -0.12 0.00 0.02 0.00 0.00 54.97 55.74 1gks s GLU 27 Cb -0.42 -2.12 0.05 0.00 0.10 0.00 0.00 34.13 31.75 1gks s GLU 27 CO 0.40 -1.17 1.10 -0.51 0.02 0.00 0.00 175.26 175.11 1gks s LEU 28 N -5.29 3.10 -1.29 1.80 1.43 -1.26 -3.77 118.68 113.41 1gks s LEU 28 Ca 0.59 1.91 -0.01 0.00 -1.03 0.00 0.00 54.13 55.59 1gks s LEU 28 Cb -0.11 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.59 1gks s LEU 28 CO 0.47 -2.06 0.03 -0.46 0.23 0.00 0.00 176.35 174.56 1gks n ASN 29 N -3.33 0.66 -3.18 2.29 6.94 -1.25 -4.88 115.26 112.50 1gks n ASN 29 Ca 0.10 -1.05 -0.19 0.00 -0.02 0.00 0.00 54.58 53.42 1gks n ASN 29 Cb 0.53 -1.30 -0.04 0.00 -2.36 0.00 0.00 39.78 36.60 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 -3.91 2.06 -0.32 -2.53 0.00 -1.25 -4.93 120.51 109.62 1gks n ALA 30 Ca -0.25 -3.38 0.22 0.00 0.00 0.00 0.00 53.44 50.03 1gks n ALA 30 Cb 0.56 -0.91 0.44 0.00 0.00 0.00 0.00 19.45 19.54 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 3.22 0.23 -0.95 0.00 0.13 -1.88 0.14 132.00 132.89 1gks h PRO 31 Ca 0.09 -0.01 0.21 0.00 -0.87 0.00 0.00 66.00 65.42 1gks h PRO 31 Cb 0.95 -0.05 -0.12 0.00 0.13 0.00 0.00 31.00 31.91 1gks h PRO 31 CO 0.49 0.15 0.52 0.93 -0.23 0.00 0.00 178.00 179.86 1gks h GLU 32 N 0.24 0.56 0.00 0.86 3.07 -1.96 0.18 114.58 117.53 1gks h GLU 32 Ca 0.70 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.50 1gks h GLU 32 Cb 1.59 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1gks h GLU 32 CO -0.66 0.37 -0.11 -0.44 -1.40 0.00 0.00 179.01 176.78 1gks h ASP 33 N 0.58 0.00 0.00 1.42 5.19 -1.08 -3.19 116.42 119.34 1gks h ASP 33 Ca 0.58 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.71 1gks h ASP 33 Cb 1.02 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 1gks h ASP 33 CO -0.45 0.11 -2.05 0.79 -3.12 0.00 0.00 179.24 174.51 1gks n TRP 34 N -3.67 0.00 -0.33 4.55 7.02 0.22 -4.64 117.44 120.58 1gks n TRP 34 Ca -0.02 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.52 1gks n TRP 34 Cb 0.22 -0.75 0.13 0.00 -2.42 0.00 0.00 31.31 28.49 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 -2.61 0.23 0.15 6.99 0.00 0.37 -0.28 120.51 125.36 1gks n ALA 35 Ca -0.26 1.02 0.01 0.00 0.00 0.00 0.00 53.44 54.22 1gks n ALA 35 Cb 0.99 -0.62 0.17 0.00 0.00 0.00 0.00 19.45 19.99 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 -4.10 0.00 5.19 -1.83 -3.46 116.42 112.22 1gks h ASP 36 Ca 0.45 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 56.39 1gks h ASP 36 Cb 0.69 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.22 1gks h ASP 36 CO -0.95 0.56 0.37 -0.13 -3.12 0.00 0.00 179.24 175.97 1gks s ARG 37 N -3.37 3.87 -0.95 3.56 0.52 0.61 -4.92 118.95 118.28 1gks s ARG 37 Ca 0.00 1.24 -0.26 0.00 -0.52 0.00 0.00 55.73 56.20 1gks s ARG 37 Cb 0.11 -2.11 -0.14 0.00 0.52 0.00 0.00 34.95 33.32 1gks s ARG 37 CO 0.74 -0.35 2.18 -2.14 0.02 0.00 0.00 175.30 175.75 1gks s PRO 38 N -3.40 1.73 0.59 3.54 0.02 -1.26 -4.76 135.00 131.45 1gks s PRO 38 Ca 0.65 -0.13 0.29 0.00 0.02 0.00 0.00 61.00 61.82 1gks s PRO 38 Cb -0.14 -4.95 1.57 0.00 0.02 0.00 0.00 34.50 31.00 1gks s PRO 38 CO 0.21 -4.56 1.99 0.77 -0.33 0.00 0.00 177.00 175.08 1gks h SER 39 N 11.76 0.00 -1.09 2.53 0.02 -1.89 -3.35 113.55 121.52 1gks h SER 39 Ca 0.05 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.28 1gks h SER 39 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1gks h SER 39 CO 1.07 0.00 1.21 -1.20 -1.14 0.00 0.00 176.83 176.77 1gks n SER 40 N -3.72 2.02 -0.26 3.07 7.64 -1.26 -4.81 113.62 116.30 1gks n SER 40 Ca 0.05 0.71 0.07 0.00 1.01 0.00 0.00 58.87 60.70 1gks n SER 40 Cb 0.50 -1.16 0.19 0.00 -1.01 0.00 0.00 64.21 62.73 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 6.38 0.43 -0.08 0.44 2.07 -1.99 0.21 116.25 123.71 1gks h VAL 41 Ca -0.32 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1gks h VAL 41 Cb 1.34 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1gks h VAL 41 CO 1.01 0.04 0.11 -0.78 0.02 0.00 0.00 177.57 177.97 1gks h ASP 42 N 0.21 0.00 0.00 0.57 3.58 -1.93 0.31 116.42 119.15 1gks h ASP 42 Ca 0.44 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.72 1gks h ASP 42 Cb 0.78 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1gks h ASP 42 CO -0.58 0.00 -1.05 -0.62 -2.88 0.00 0.00 179.24 174.11 1gks n GLU 43 N -3.70 0.53 -0.32 0.28 -0.58 0.60 -4.26 120.64 113.19 1gks n GLU 43 Ca -0.01 0.56 0.15 0.00 -0.42 0.00 0.00 57.16 57.44 1gks n GLU 43 Cb 0.21 -1.73 0.33 0.00 -0.57 0.00 0.00 31.44 29.68 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 -1.00 0.41 -1.50 -4.62 3.38 -0.65 0.13 115.31 111.45 1gks h LEU 44 Ca -0.25 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1gks h LEU 44 Cb 1.07 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1gks h LEU 44 CO -0.15 0.01 0.28 1.62 0.09 0.00 0.00 178.44 180.29 1gks h VAL 45 N 0.43 1.13 0.01 1.22 3.04 -1.15 0.23 116.25 121.16 1gks h VAL 45 Ca 0.59 -0.28 -0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1gks h VAL 45 Cb 1.13 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1gks h VAL 45 CO -0.52 0.13 -0.00 -0.33 -1.01 0.00 0.00 177.57 175.83 1gks h GLU 46 N 0.62 -0.01 -0.66 4.17 4.39 -0.92 0.16 114.58 122.33 1gks h GLU 46 Ca 0.17 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.99 1gks h GLU 46 Cb -0.03 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.53 1gks h GLU 46 CO -0.03 0.21 0.17 0.77 -1.16 0.00 0.00 179.01 178.97 1gks h SER 47 N -0.24 0.06 0.05 1.42 0.02 -1.26 0.29 113.55 113.89 1gks h SER 47 Ca -0.00 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1gks h SER 47 Cb 0.23 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1gks h SER 47 CO 0.00 0.02 -0.02 0.74 -1.14 0.00 0.00 176.83 176.42 1gks h THR 48 N 0.30 1.03 -0.46 -2.27 2.02 -0.59 0.27 112.91 113.21 1gks h THR 48 Ca 0.36 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1gks h THR 48 Cb 0.55 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1gks h THR 48 CO -0.43 0.07 0.31 -0.07 0.37 0.00 0.00 175.52 175.76 1gks h LEU 49 N -0.18 0.53 -0.66 2.58 3.38 0.06 -2.79 115.31 118.23 1gks h LEU 49 Ca -0.01 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1gks h LEU 49 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1gks h LEU 49 CO 0.01 0.39 -0.60 0.00 0.09 0.00 0.00 178.44 178.32 1gks h ALA 50 N 1.17 0.85 0.00 1.53 0.00 -0.90 0.31 119.26 122.22 1gks h ALA 50 Ca 0.17 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1gks h ALA 50 Cb -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1gks h ALA 50 CO -0.04 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1gks n GLY 51 N 0.26 2.12 3.53 0.00 0.00 0.95 -4.00 105.19 108.06 1gks n GLY 51 Ca -0.02 -1.89 -0.04 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 -2.98 0.53 6.70 1.61 2.20 -0.21 -4.75 119.74 122.83 1gks s LYS 52 Ca 0.00 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 1gks s LYS 52 Cb 0.00 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 36.91 1gks s LYS 52 CO 0.00 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 1gks n GLY 53 N 5.21 3.37 0.17 5.54 0.00 -1.26 -0.44 105.19 117.77 1gks n GLY 53 Ca -0.13 0.25 0.05 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 -0.90 0.82 -2.12 4.61 0.00 -1.95 -3.45 119.26 116.26 1gks h ALA 54 Ca 0.00 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.97 1gks h ALA 54 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1gks h ALA 54 CO 0.00 0.52 1.20 1.41 0.00 0.00 0.00 179.25 182.38 1gks s MET 55 N -3.25 3.81 0.97 0.00 0.00 0.42 -4.99 119.30 116.26 1gks s MET 55 Ca 0.02 1.99 -0.11 0.00 0.00 0.00 0.00 55.69 57.58 1gks s MET 55 Cb 0.09 -4.11 0.17 0.00 0.00 0.00 0.00 34.83 30.98 1gks s MET 55 CO 0.71 -1.29 1.09 -2.14 0.00 0.00 0.00 175.02 173.38 1gks s PRO 56 N 4.81 0.62 0.22 4.11 0.02 -1.26 -1.04 135.00 142.47 1gks s PRO 56 Ca 0.80 1.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 1gks s PRO 56 Cb -0.31 -1.72 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1gks s PRO 56 CO 0.33 -2.73 1.35 0.00 -0.33 0.00 0.00 177.00 175.61 1gks s ALA 57 N -2.73 3.56 -0.54 -1.55 0.00 -1.26 -4.08 121.76 115.16 1gks s ALA 57 Ca 0.66 1.17 0.22 0.00 0.00 0.00 0.00 51.96 54.01 1gks s ALA 57 Cb -0.21 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.28 1gks s ALA 57 CO 0.59 -0.60 0.85 0.66 0.00 0.00 0.00 175.76 177.26 1gks n TYR 58 N 2.51 0.15 -1.51 0.00 4.01 0.10 -4.86 117.16 117.56 1gks n TYR 58 Ca 0.06 0.04 -0.40 0.00 -0.16 0.00 0.00 57.90 57.44 1gks n TYR 58 Cb 0.42 -0.36 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.95 1.13 0.00 7.72 2.03 -0.73 -0.13 116.55 124.63 1gks n ASP 59 Ca 0.01 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1gks n ASP 59 Cb 0.45 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 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 6.35 2.74 0.18 0.27 0.00 -1.26 -4.89 105.19 108.59 1gks n GLY 60 Ca 0.54 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 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 0.61 -4.58 1.61 3.08 -0.86 -3.44 114.38 110.80 1gks h ARG 61 Ca 0.00 -0.70 -0.42 0.00 0.07 0.00 0.00 59.98 58.93 1gks h ARG 61 Cb 0.00 0.21 -0.30 0.00 0.08 0.00 0.00 29.97 29.95 1gks h ARG 61 CO 0.00 1.29 -0.78 0.00 -1.07 0.00 0.00 179.97 179.41 1gks s ALA 62 N -3.22 0.81 0.30 0.04 0.00 -0.53 -4.75 121.76 114.41 1gks s ALA 62 Ca -0.09 -0.33 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1gks s ALA 62 Cb 0.07 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 1gks s ALA 62 CO 0.91 0.14 0.88 0.34 0.00 0.00 0.00 175.76 178.03 1gks s ASP 63 N 0.13 7.22 0.20 0.00 2.15 -1.26 -4.49 116.67 120.62 1gks s ASP 63 Ca -0.02 1.69 0.04 0.00 0.43 0.00 0.00 52.55 54.70 1gks s ASP 63 Cb -0.07 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.58 1gks s ASP 63 CO 0.00 -0.06 0.97 -1.14 -0.17 0.00 0.00 175.17 174.77 1gks n ARG 64 N 0.52 -0.05 0.01 4.34 0.63 -1.26 0.37 116.66 121.23 1gks n ARG 64 Ca 0.01 0.90 -0.12 0.00 -0.92 0.00 0.00 57.85 57.73 1gks n ARG 64 Cb 0.51 -1.48 -0.07 0.00 0.45 0.00 0.00 32.46 31.87 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 0.06 0.37 -0.14 4.39 -1.99 0.18 114.58 117.46 1gks h GLU 65 Ca 0.41 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1gks h GLU 65 Cb 0.92 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1gks h GLU 65 CO -0.55 0.12 -0.37 -0.44 -1.16 0.00 0.00 179.01 176.61 1gks h ASP 66 N -0.02 -0.99 -0.19 1.42 3.32 -0.46 -1.65 116.42 117.85 1gks h ASP 66 Ca 0.01 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.19 1gks h ASP 66 Cb 0.08 0.33 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 1gks h ASP 66 CO -0.00 -0.51 -0.49 -0.07 -1.72 0.00 0.00 179.24 176.45 1gks h LEU 67 N -0.76 -1.56 -0.59 1.55 3.38 -1.03 -0.63 115.31 115.66 1gks h LEU 67 Ca -0.03 0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.25 1gks h LEU 67 Cb 0.68 0.63 -0.11 0.00 0.09 0.00 0.00 40.66 41.95 1gks h LEU 67 CO -0.06 -0.45 -0.31 0.58 0.09 0.00 0.00 178.44 178.29 1gks h VAL 68 N -0.51 0.20 -0.92 1.22 2.07 -0.50 0.27 116.25 118.09 1gks h VAL 68 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1gks h VAL 68 Cb 0.65 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1gks h VAL 68 CO -0.46 0.00 0.61 0.11 0.02 0.00 0.00 177.57 177.85 1gks h LYS 69 N -0.15 1.14 -0.25 1.57 1.57 -0.56 0.62 116.57 120.52 1gks h LYS 69 Ca 0.24 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1gks h LYS 69 Cb 0.54 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1gks h LYS 69 CO -0.67 0.76 -0.25 0.00 -0.57 0.00 0.00 179.45 178.72 1gks h ALA 70 N 1.45 0.37 -0.00 3.86 0.00 0.51 -2.61 119.26 122.84 1gks h ALA 70 Ca 0.36 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gks h ALA 70 Cb -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gks h ALA 70 CO -0.10 0.35 0.00 0.82 0.00 0.00 0.00 179.25 180.32 1gks h ILE 71 N 0.32 1.14 -0.92 0.00 2.04 0.03 0.13 117.51 120.26 1gks h ILE 71 Ca 0.04 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1gks h ILE 71 Cb 0.81 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.25 1gks h ILE 71 CO 0.06 0.11 0.61 1.05 0.00 0.00 0.00 178.15 179.97 1gks h GLU 72 N -0.17 1.21 -0.25 2.37 4.11 -0.97 0.45 114.58 121.34 1gks h GLU 72 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1gks h GLU 72 Cb 0.17 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1gks h GLU 72 CO -0.00 0.81 0.16 -0.92 0.07 0.00 0.00 179.01 179.13 1gks h TYR 73 N 1.25 0.32 0.37 2.06 3.20 -1.05 0.14 116.97 123.25 1gks h TYR 73 Ca 0.34 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 1gks h TYR 73 Cb -0.14 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 1gks h TYR 73 CO 0.00 0.20 -0.49 0.52 -1.64 0.00 0.00 178.16 176.76 1gks h MET 74 N 0.34 -0.86 -0.80 1.82 2.86 0.25 -2.57 114.93 115.96 1gks h MET 74 Ca 0.09 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 57.92 1gks h MET 74 Cb -0.03 0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 1gks h MET 74 CO -0.02 -0.57 0.52 -0.07 1.06 0.00 0.00 176.91 177.83 1gks h LEU 75 N -0.89 0.56 -0.17 1.22 4.07 -0.79 -1.60 115.31 117.72 1gks h LEU 75 Ca -0.04 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1gks h LEU 75 Cb 0.81 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1gks h LEU 75 CO -0.13 0.31 0.00 -1.54 -1.08 0.00 0.00 178.44 176.00 1gks n SER 76 N -4.51 0.08 0.02 -0.43 3.41 0.47 -1.14 113.62 111.51 1gks n SER 76 Ca 0.15 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 1gks n SER 76 Cb 0.43 -0.54 0.22 0.00 -0.26 0.00 0.00 64.21 64.06 1gks n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gks n THR 77 N -1.60 0.10 1.85 6.66 -2.24 -0.60 -5.07 114.28 113.38 1gks n THR 77 Ca 0.01 -0.09 0.15 0.00 -2.27 0.00 0.00 64.05 61.85 1gks n THR 77 Cb 0.06 0.13 0.88 0.00 -2.10 0.00 0.00 70.33 69.29 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68