#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 3.48 4.59 0.27 0.00 -1.26 -4.78 105.19 107.49 1gks n GLY 2 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 1.56 0.00 -0.20 1.61 1.02 -1.26 -4.72 120.64 118.64 1gks n GLU 3 Ca 0.36 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.42 1gks n GLU 3 Cb 0.70 -0.28 -0.03 0.00 -0.02 0.00 0.00 31.44 31.80 1gks n GLU 3 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1gks h SER 4 N 0.00 -1.47 -0.09 1.62 0.02 -1.98 0.18 113.55 111.82 1gks h SER 4 Ca 0.00 0.24 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1gks h SER 4 Cb 0.00 0.67 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1gks h SER 4 CO 0.00 -0.33 0.05 0.40 -1.14 0.00 0.00 176.83 175.80 1gks h ILE 5 N -0.23 1.00 -0.12 3.27 2.04 -1.93 0.24 117.51 121.77 1gks h ILE 5 Ca 0.18 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1gks h ILE 5 Cb 0.56 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1gks h ILE 5 CO -0.68 0.02 0.05 0.22 0.00 0.00 0.00 178.15 177.75 1gks h TYR 6 N 0.10 0.18 -0.10 1.37 5.03 -1.79 -0.13 116.97 121.64 1gks h TYR 6 Ca 0.04 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.19 1gks h TYR 6 Cb 0.01 -0.06 0.01 0.00 1.55 0.00 0.00 36.73 38.24 1gks h TYR 6 CO -0.09 0.27 -0.50 0.82 -1.32 0.00 0.00 178.16 177.35 1gks h ILE 7 N 0.04 1.37 0.00 1.81 2.04 -0.51 -2.94 117.51 119.33 1gks h ILE 7 Ca 0.04 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.07 1gks h ILE 7 Cb 0.17 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1gks h ILE 7 CO -0.00 0.55 0.00 0.59 0.00 0.00 0.00 178.15 179.28 1gks n ASN 8 N -4.24 0.00 0.08 1.72 5.03 0.31 -4.62 115.26 113.54 1gks n ASN 8 Ca -0.08 -0.18 -0.10 0.00 0.87 0.00 0.00 54.58 55.09 1gks n ASN 8 Cb 0.60 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.27 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1gks h GLY 9 N 0.00 0.17 -1.67 7.41 0.00 -0.14 -3.46 103.07 105.38 1gks h GLY 9 Ca 0.00 -0.38 -0.50 0.00 0.00 0.00 0.00 47.33 46.45 1gks h GLY 9 CO 0.00 0.34 0.37 -0.51 0.00 0.00 0.00 176.54 176.74 1gks s THR 10 N -2.85 3.73 -0.18 4.70 -4.23 -0.11 -4.99 115.64 111.72 1gks s THR 10 Ca -0.02 0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 61.23 1gks s THR 10 Cb 0.09 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.67 1gks s THR 10 CO 0.84 -0.52 0.13 0.00 -0.54 0.00 0.00 174.62 174.53 1gks s ALA 11 N -2.51 0.20 0.72 3.99 0.00 -1.26 -2.75 121.76 120.15 1gks s ALA 11 Ca 0.63 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 1gks s ALA 11 Cb -0.17 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1gks s ALA 11 CO 0.40 -1.16 0.77 -2.30 0.00 0.00 0.00 175.76 173.47 1gks n PRO 12 N 5.29 0.42 -2.14 0.00 -0.02 -1.26 -4.78 135.00 132.51 1gks n PRO 12 Ca -0.06 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 1gks n PRO 12 Cb 0.49 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 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 3.72 0.23 3.45 -4.23 -1.11 -4.91 115.64 110.94 1gks s THR 13 Ca 0.70 0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 61.92 1gks s THR 13 Cb -0.35 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 69.99 1gks s THR 13 CO 0.54 -0.34 1.64 0.00 -0.54 0.00 0.00 174.62 175.92 1gks h SER 15 N 0.08 -0.91 -1.10 0.00 4.64 -1.77 0.20 113.55 114.69 1gks h SER 15 Ca 0.37 0.27 0.31 0.00 -0.47 0.00 0.00 61.79 62.27 1gks h SER 15 Cb 0.62 0.58 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 1gks h SER 15 CO -0.64 -0.30 0.76 0.28 -0.87 0.00 0.00 176.83 176.06 1gks h SER 16 N -0.01 0.17 0.00 4.97 0.02 -1.59 0.18 113.55 117.29 1gks h SER 16 Ca 0.42 0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 61.18 1gks h SER 16 Cb 0.65 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1gks h SER 16 CO -0.93 0.03 -1.72 0.00 -1.14 0.00 0.00 176.83 173.08 1gks h HIS 18 N -0.95 0.32 -0.56 0.00 3.86 -0.88 0.31 115.15 117.25 1gks h HIS 18 Ca -0.34 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 58.67 1gks h HIS 18 Cb 1.27 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.65 1gks h HIS 18 CO -0.25 0.67 -0.09 0.22 0.86 0.00 0.00 177.93 179.35 1gks h ASP 19 N 0.22 1.05 1.10 2.45 3.58 -0.82 -2.94 116.42 121.05 1gks h ASP 19 Ca 0.02 -0.34 -0.17 0.00 0.42 0.00 0.00 57.03 56.95 1gks h ASP 19 Cb 0.88 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1gks h ASP 19 CO 0.07 1.14 -0.82 0.03 -2.88 0.00 0.00 179.24 176.78 1gks h ARG 20 N 0.93 0.00 -1.51 0.28 3.08 -1.63 -3.47 114.38 112.06 1gks h ARG 20 Ca 0.15 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 1gks h ARG 20 Cb 0.66 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.73 1gks h ARG 20 CO 0.05 0.82 -0.16 0.41 -1.07 0.00 0.00 179.97 180.02 1gks n GLY 21 N 1.20 0.34 3.73 0.04 0.00 0.98 -4.97 105.19 106.51 1gks n GLY 21 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.60 1.82 -2.42 1.61 3.14 -0.52 -1.17 118.33 117.19 1gks n VAL 22 Ca -0.03 -0.45 -0.12 0.00 -2.96 0.00 0.00 64.34 60.77 1gks n VAL 22 Cb 0.53 -1.76 -0.01 0.00 -1.06 0.00 0.00 33.84 31.55 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 0.68 -0.77 -1.62 1.55 0.00 -1.26 -0.65 120.51 118.44 1gks n ALA 23 Ca 0.04 0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1gks n ALA 23 Cb 0.37 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.80 0.58 3.72 0.00 0.00 -0.32 -4.99 105.19 103.39 1gks n GLY 24 Ca -0.15 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 1.99 -1.68 4.61 0.00 0.17 -4.86 120.51 120.81 1gks n ALA 25 Ca -0.08 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 1gks n ALA 25 Cb 0.39 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 1gks n ALA 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gks n PRO 26 N 2.00 2.82 -2.58 0.00 -0.04 -1.26 -4.44 135.00 131.51 1gks n PRO 26 Ca 0.09 1.03 -0.24 0.00 -0.04 0.00 0.00 63.50 64.34 1gks n PRO 26 Cb 0.35 -2.94 0.12 0.00 -0.04 0.00 0.00 33.50 30.99 1gks n PRO 26 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1gks s GLU 27 N 3.23 1.52 0.80 0.54 2.02 -1.26 -4.84 118.70 120.71 1gks s GLU 27 Ca 0.84 -1.17 -0.11 0.00 0.02 0.00 0.00 54.97 54.55 1gks s GLU 27 Cb -0.47 -2.30 0.07 0.00 0.10 0.00 0.00 34.13 31.53 1gks s GLU 27 CO 0.39 -1.57 1.09 -0.51 0.02 0.00 0.00 175.26 174.67 1gks s LEU 28 N -5.21 2.79 -1.07 1.80 2.01 -1.26 -4.08 118.68 113.66 1gks s LEU 28 Ca 0.68 1.65 -0.11 0.00 0.01 0.00 0.00 54.13 56.36 1gks s LEU 28 Cb -0.04 -4.29 0.02 0.00 0.01 0.00 0.00 46.19 41.88 1gks s LEU 28 CO 0.45 -2.12 0.21 -0.46 1.01 0.00 0.00 176.35 175.45 1gks n ASN 29 N -3.56 -0.87 -3.14 2.29 6.94 -1.24 -4.89 115.26 110.79 1gks n ASN 29 Ca 0.08 -0.98 -0.20 0.00 -0.02 0.00 0.00 54.58 53.46 1gks n ASN 29 Cb 0.54 -1.20 -0.04 0.00 -2.36 0.00 0.00 39.78 36.72 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 -3.88 1.83 -0.38 -2.53 0.00 -1.26 -4.94 120.51 109.36 1gks n ALA 30 Ca -0.18 -3.17 0.01 0.00 0.00 0.00 0.00 53.44 50.10 1gks n ALA 30 Cb 0.49 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 19.09 1gks n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1gks h PRO 31 N 3.50 -0.00 -1.03 0.00 0.11 -1.90 0.14 132.00 132.83 1gks h PRO 31 Ca 0.06 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.43 1gks h PRO 31 Cb 0.94 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.97 1gks h PRO 31 CO 0.45 -0.00 0.67 1.05 -0.21 0.00 0.00 178.00 179.96 1gks h GLU 32 N -0.00 0.35 0.00 1.05 9.09 -1.99 0.20 114.58 123.28 1gks h GLU 32 Ca 0.38 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.73 1gks h GLU 32 Cb 0.64 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.65 1gks h GLU 32 CO -1.00 0.23 -0.22 -0.44 0.05 0.00 0.00 179.01 177.63 1gks h ASP 33 N 0.36 0.00 0.00 3.06 5.19 -1.09 -3.28 116.42 120.66 1gks h ASP 33 Ca 0.57 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.64 1gks h ASP 33 Cb 1.50 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.95 1gks h ASP 33 CO -0.25 0.22 -2.28 0.79 -3.12 0.00 0.00 179.24 174.60 1gks n TRP 34 N -4.00 0.00 -0.33 4.55 7.02 0.42 -4.60 117.44 120.50 1gks n TRP 34 Ca -0.02 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.48 1gks n TRP 34 Cb 0.30 -0.88 0.08 0.00 -2.42 0.00 0.00 31.31 28.38 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 -3.00 0.05 0.17 6.99 0.00 0.40 -0.39 120.51 124.74 1gks n ALA 35 Ca -0.37 0.93 0.05 0.00 0.00 0.00 0.00 53.44 54.05 1gks n ALA 35 Cb 0.98 -0.49 0.22 0.00 0.00 0.00 0.00 19.45 20.16 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 -4.09 0.00 5.19 -1.83 -3.46 116.42 112.22 1gks h ASP 36 Ca 0.37 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 56.32 1gks h ASP 36 Cb 0.59 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.11 1gks h ASP 36 CO -0.89 0.39 0.37 -0.13 -3.12 0.00 0.00 179.24 175.85 1gks s ARG 37 N -3.31 3.95 -0.90 3.56 0.52 0.48 -4.92 118.95 118.33 1gks s ARG 37 Ca 0.02 1.20 -0.26 0.00 -0.52 0.00 0.00 55.73 56.18 1gks s ARG 37 Cb 0.09 -2.13 -0.14 0.00 0.52 0.00 0.00 34.95 33.29 1gks s ARG 37 CO 0.70 -0.28 2.24 -2.14 0.02 0.00 0.00 175.30 175.84 1gks s PRO 38 N -3.38 1.68 0.60 3.54 0.02 -1.26 -4.77 135.00 131.43 1gks s PRO 38 Ca 0.64 0.06 0.29 0.00 0.02 0.00 0.00 61.00 62.01 1gks s PRO 38 Cb -0.13 -4.90 1.61 0.00 0.02 0.00 0.00 34.50 31.11 1gks s PRO 38 CO 0.20 -4.54 2.00 0.77 -0.33 0.00 0.00 177.00 175.10 1gks h SER 39 N 12.05 0.00 -0.85 2.53 0.02 -1.89 -3.37 113.55 122.04 1gks h SER 39 Ca 0.03 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.28 1gks h SER 39 Cb 1.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1gks h SER 39 CO 1.05 0.00 1.38 -1.20 -1.14 0.00 0.00 176.83 176.92 1gks n SER 40 N -3.59 1.82 -0.26 3.07 7.64 -1.26 -4.84 113.62 116.20 1gks n SER 40 Ca 0.03 0.50 0.06 0.00 1.01 0.00 0.00 58.87 60.47 1gks n SER 40 Cb 0.46 -1.17 0.19 0.00 -1.01 0.00 0.00 64.21 62.67 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 7.01 0.44 -0.47 0.44 2.07 -1.99 0.19 116.25 123.95 1gks h VAL 41 Ca -0.24 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.35 1gks h VAL 41 Cb 1.34 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1gks h VAL 41 CO 1.03 0.04 0.36 0.44 0.02 0.00 0.00 177.57 179.46 1gks h ASP 42 N 0.21 0.00 0.00 0.57 5.19 -1.94 0.60 116.42 121.05 1gks h ASP 42 Ca 0.43 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.73 1gks h ASP 42 Cb 0.76 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1gks h ASP 42 CO -0.57 0.00 -0.66 -0.33 -3.12 0.00 0.00 179.24 174.56 1gks h GLU 43 N 0.00 0.00 -0.88 3.56 5.08 -0.98 -3.37 114.58 117.98 1gks h GLU 43 Ca 0.22 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.77 1gks h GLU 43 Cb 0.93 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.07 1gks h GLU 43 CO -0.00 0.85 0.42 -0.07 -1.00 0.00 0.00 179.01 179.21 1gks h LEU 44 N -1.00 0.43 -1.61 1.33 3.38 -0.35 0.15 115.31 117.65 1gks h LEU 44 Ca -0.17 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gks h LEU 44 Cb 1.04 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1gks h LEU 44 CO -0.10 0.10 0.23 -0.37 0.09 0.00 0.00 178.44 178.38 1gks h VAL 45 N 0.51 1.10 -0.06 1.22 -1.51 -1.10 -0.34 116.25 116.07 1gks h VAL 45 Ca 0.52 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.78 1gks h VAL 45 Cb 0.90 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1gks h VAL 45 CO -0.46 0.10 0.01 -0.33 -1.23 0.00 0.00 177.57 175.67 1gks h GLU 46 N 0.50 0.11 -0.64 5.19 4.39 -0.86 0.22 114.58 123.48 1gks h GLU 46 Ca 0.13 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.93 1gks h GLU 46 Cb -0.03 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.51 1gks h GLU 46 CO -0.03 0.34 0.15 0.77 -1.16 0.00 0.00 179.01 179.08 1gks h SER 47 N -0.14 0.02 -0.00 1.42 0.02 -1.22 0.10 113.55 113.75 1gks h SER 47 Ca 0.02 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1gks h SER 47 Cb 0.29 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1gks h SER 47 CO 0.00 0.00 0.00 0.74 -1.14 0.00 0.00 176.83 176.44 1gks h THR 48 N 0.27 1.16 -0.62 -2.27 2.02 -0.71 0.25 112.91 113.00 1gks h THR 48 Ca 0.34 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1gks h THR 48 Cb 0.52 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1gks h THR 48 CO -0.43 0.12 0.27 -0.07 0.37 0.00 0.00 175.52 175.79 1gks h LEU 49 N -0.19 0.83 -0.50 2.58 3.38 -0.00 -1.59 115.31 119.81 1gks h LEU 49 Ca 0.00 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 1gks h LEU 49 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1gks h LEU 49 CO -0.00 0.75 -0.75 0.00 0.09 0.00 0.00 178.44 178.54 1gks h ALA 50 N 1.11 0.76 0.00 1.53 0.00 -0.78 0.73 119.26 122.61 1gks h ALA 50 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1gks h ALA 50 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gks h ALA 50 CO -0.02 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1gks n GLY 51 N 0.60 1.64 3.23 0.00 0.00 0.87 -4.10 105.19 107.44 1gks n GLY 51 Ca -0.01 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.29 0.43 7.20 1.61 2.20 0.01 -4.77 119.74 123.13 1gks s LYS 52 Ca 0.00 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 1gks s LYS 52 Cb 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1gks s LYS 52 CO 0.00 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1gks n GLY 53 N 5.40 3.33 0.18 5.54 0.00 -1.26 -0.51 105.19 117.88 1gks n GLY 53 Ca -0.07 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.98 0.88 -2.24 4.61 0.00 -1.98 -3.44 119.26 116.10 1gks h ALA 54 Ca 0.00 -0.33 -0.55 0.00 0.00 0.00 0.00 54.91 54.03 1gks h ALA 54 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gks h ALA 54 CO 0.00 0.46 1.09 1.41 0.00 0.00 0.00 179.25 182.21 1gks s MET 55 N -3.37 4.15 0.68 0.00 0.00 0.33 -4.99 119.30 116.10 1gks s MET 55 Ca 0.02 2.14 -0.13 0.00 0.00 0.00 0.00 55.69 57.72 1gks s MET 55 Cb 0.09 -3.99 0.01 0.00 0.00 0.00 0.00 34.83 30.94 1gks s MET 55 CO 0.69 -0.88 1.08 -1.25 0.00 0.00 0.00 175.02 174.66 1gks s PRO 56 N 4.08 2.86 -0.01 4.11 0.04 -1.26 -0.81 135.00 144.01 1gks s PRO 56 Ca 0.73 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 1gks s PRO 56 Cb -0.32 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1gks s PRO 56 CO 0.29 -1.17 1.80 0.00 0.04 0.00 0.00 177.00 177.96 1gks s ALA 57 N -2.72 3.60 -0.85 8.56 0.00 -1.26 -4.23 121.76 124.86 1gks s ALA 57 Ca 0.62 1.13 0.27 0.00 0.00 0.00 0.00 51.96 53.97 1gks s ALA 57 Cb -0.16 -3.79 0.89 0.00 0.00 0.00 0.00 23.12 20.05 1gks s ALA 57 CO 0.48 -1.47 1.74 0.66 0.00 0.00 0.00 175.76 177.17 1gks n TYR 58 N 7.27 0.43 -1.44 0.00 4.02 0.09 -4.88 117.16 122.65 1gks n TYR 58 Ca 0.18 0.13 -0.57 0.00 -0.01 0.00 0.00 57.90 57.63 1gks n TYR 58 Cb 0.42 -0.67 -0.09 0.00 -0.02 0.00 0.00 39.34 38.98 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 -1.87 1.59 0.00 7.72 2.03 -0.28 -0.42 116.55 125.31 1gks n ASP 59 Ca 0.06 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.06 1gks n ASP 59 Cb 0.39 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 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 6.30 2.53 0.10 0.27 0.00 -1.26 -4.87 105.19 108.25 1gks n GLY 60 Ca 0.43 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -4.60 1.61 3.08 -1.08 -3.45 114.38 109.94 1gks h ARG 61 Ca 0.00 -0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1gks h ARG 61 Cb 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.69 1gks h ARG 61 CO 0.00 1.00 -0.83 0.00 -1.07 0.00 0.00 179.97 179.07 1gks s ALA 62 N -2.34 1.69 0.47 0.04 0.00 -0.86 -4.90 121.76 115.86 1gks s ALA 62 Ca -0.27 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 1gks s ALA 62 Cb 0.05 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 22.13 1gks s ALA 62 CO 0.61 -0.29 0.95 0.34 0.00 0.00 0.00 175.76 177.37 1gks s ASP 63 N 1.37 6.74 0.09 0.00 2.15 -1.26 -4.52 116.67 121.23 1gks s ASP 63 Ca 0.01 1.58 -0.04 0.00 0.43 0.00 0.00 52.55 54.54 1gks s ASP 63 Cb -0.13 -2.51 0.13 0.00 -0.30 0.00 0.00 42.92 40.10 1gks s ASP 63 CO -0.07 -0.48 0.52 -1.14 -0.17 0.00 0.00 175.17 173.82 1gks n ARG 64 N -1.19 -0.05 -0.19 4.34 0.63 -1.26 0.39 116.66 119.34 1gks n ARG 64 Ca 0.06 0.52 -0.08 0.00 -0.92 0.00 0.00 57.85 57.43 1gks n ARG 64 Cb 0.54 -0.77 0.02 0.00 0.45 0.00 0.00 32.46 32.70 1gks n ARG 64 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1gks h GLU 65 N 0.00 0.79 0.64 -0.14 4.81 -1.99 0.20 114.58 118.89 1gks h GLU 65 Ca 0.14 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1gks h GLU 65 Cb 0.23 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1gks h GLU 65 CO -0.34 0.68 -0.31 -0.44 -0.73 0.00 0.00 179.01 177.88 1gks h ASP 66 N 0.72 -0.72 -0.31 1.04 3.32 -0.42 -3.15 116.42 116.89 1gks h ASP 66 Ca 0.18 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1gks h ASP 66 Cb 0.18 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 1gks h ASP 66 CO -0.02 -0.48 -0.45 -0.07 -1.72 0.00 0.00 179.24 176.50 1gks h LEU 67 N -0.92 -1.48 -0.89 1.55 3.38 -0.92 -2.22 115.31 113.81 1gks h LEU 67 Ca -0.09 0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1gks h LEU 67 Cb 0.68 0.62 -0.13 0.00 0.09 0.00 0.00 40.66 41.92 1gks h LEU 67 CO 0.14 -0.40 -0.40 0.52 0.09 0.00 0.00 178.44 178.39 1gks n VAL 68 N -5.42 -0.51 -0.28 1.22 0.31 0.69 -0.11 118.33 114.23 1gks n VAL 68 Ca -0.02 2.11 0.02 0.00 -0.01 0.00 0.00 64.34 66.43 1gks n VAL 68 Cb 0.36 -2.73 0.15 0.00 -0.91 0.00 0.00 33.84 30.71 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 0.75 -0.11 5.55 1.57 -1.36 0.85 116.57 123.82 1gks h LYS 69 Ca 0.26 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1gks h LYS 69 Cb 0.48 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1gks h LYS 69 CO -0.87 0.50 -0.10 0.00 -0.57 0.00 0.00 179.45 178.41 1gks h ALA 70 N 1.43 0.16 -0.15 3.86 0.00 -0.40 0.18 119.26 124.33 1gks h ALA 70 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gks h ALA 70 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1gks h ALA 70 CO -0.23 0.00 0.10 0.82 0.00 0.00 0.00 179.25 179.94 1gks h ILE 71 N -0.13 1.03 -0.68 0.00 2.04 -0.39 0.15 117.51 119.52 1gks h ILE 71 Ca 0.02 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1gks h ILE 71 Cb 0.62 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1gks h ILE 71 CO 0.03 0.04 0.35 1.05 0.00 0.00 0.00 178.15 179.62 1gks h GLU 72 N 0.20 0.95 -0.26 2.37 -0.00 -0.89 -0.82 114.58 116.14 1gks h GLU 72 Ca 0.06 -0.11 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1gks h GLU 72 Cb -0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 28.75 28.53 1gks h GLU 72 CO -0.02 0.71 0.16 -0.92 -0.00 0.00 0.00 179.01 178.95 1gks h TYR 73 N 0.95 0.33 -0.02 2.06 3.20 -0.69 0.14 116.97 122.94 1gks h TYR 73 Ca 0.24 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1gks h TYR 73 Cb 0.05 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1gks h TYR 73 CO 0.01 0.23 -0.24 0.52 -1.64 0.00 0.00 178.16 177.04 1gks h MET 74 N 0.34 -0.27 -0.98 1.82 2.86 0.04 -2.35 114.93 116.38 1gks h MET 74 Ca 0.09 0.02 0.21 0.00 -2.06 0.00 0.00 59.70 57.96 1gks h MET 74 Cb -0.01 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 31.59 1gks h MET 74 CO -0.02 -0.18 0.56 -0.07 1.06 0.00 0.00 176.91 178.26 1gks h LEU 75 N -0.28 0.66 0.00 1.22 4.07 -1.07 -0.74 115.31 119.17 1gks h LEU 75 Ca 0.01 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1gks h LEU 75 Cb 0.31 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1gks h LEU 75 CO -0.17 0.17 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 1gks n SER 76 N -4.86 0.00 0.01 -0.43 7.64 0.47 -1.24 113.62 115.22 1gks n SER 76 Ca 0.24 0.41 0.11 0.00 1.01 0.00 0.00 58.87 60.65 1gks n SER 76 Cb 0.64 -0.42 0.11 0.00 -1.01 0.00 0.00 64.21 63.53 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 -1.42 0.07 0.97 0.44 -2.24 -0.28 -5.05 114.28 106.75 1gks n THR 77 Ca 0.01 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1gks n THR 77 Cb 0.02 0.36 0.46 0.00 -2.10 0.00 0.00 70.33 69.07 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68