#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk0 s ILE 11 N 0.00 3.38 -0.04 0.00 2.07 -1.26 -4.96 121.20 120.39 3gk0 s ILE 11 Ca 0.00 1.35 -0.00 0.00 -1.41 0.00 0.00 60.65 60.58 3gk0 s ILE 11 Cb 0.00 -3.86 -0.04 0.00 0.13 0.00 0.00 42.46 38.70 3gk0 s ILE 11 CO 0.00 0.30 0.02 -1.81 -1.91 0.00 0.00 174.94 171.54 3gk0 s ASP 12 N -0.64 5.28 -0.22 4.50 1.01 -0.82 -4.92 116.67 120.86 3gk0 s ASP 12 Ca 0.47 0.08 -0.07 0.00 0.71 0.00 0.00 52.55 53.74 3gk0 s ASP 12 Cb -0.33 -1.45 -0.03 0.00 1.01 0.00 0.00 42.92 42.12 3gk0 s ASP 12 CO 0.42 0.32 0.05 -0.22 0.21 0.00 0.00 175.17 175.95 3gk0 s LEU 13 N -1.33 3.48 -0.22 1.23 2.96 -1.26 -0.83 118.68 122.70 3gk0 s LEU 13 Ca 0.18 -0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 3gk0 s LEU 13 Cb -0.12 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3gk0 s LEU 13 CO 0.08 0.03 0.12 -0.83 -1.32 0.00 0.00 176.35 174.43 3gk0 s GLY 14 N 1.20 1.92 -0.27 7.98 0.00 0.40 -0.85 107.32 117.70 3gk0 s GLY 14 Ca 0.04 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 3gk0 s GLY 14 CO 0.03 0.32 0.21 0.14 0.00 0.00 0.00 173.10 173.80 3gk0 s VAL 15 N 0.96 5.30 -0.21 1.40 1.01 -0.82 -0.52 120.40 127.52 3gk0 s VAL 15 Ca 0.06 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 3gk0 s VAL 15 Cb -0.13 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3gk0 s VAL 15 CO 0.03 0.26 0.44 0.21 0.00 0.00 0.00 175.10 176.04 3gk0 s ASN 16 N 1.61 6.46 0.00 3.32 3.84 -0.08 -0.62 114.94 129.47 3gk0 s ASN 16 Ca 0.08 0.55 0.23 0.00 0.21 0.00 0.00 52.86 53.93 3gk0 s ASN 16 Cb -0.15 -2.25 -0.00 0.00 -0.55 0.00 0.00 41.25 38.29 3gk0 s ASN 16 CO 0.10 -0.13 1.08 2.30 -2.79 0.00 0.00 177.10 177.66 3gk0 n ILE 17 N 4.49 0.00 -0.23 -5.21 -5.35 -0.76 -4.44 119.36 107.85 3gk0 n ILE 17 Ca -0.07 -0.19 0.06 0.00 -0.27 0.00 0.00 62.75 62.28 3gk0 n ILE 17 Cb 0.51 1.13 0.12 0.00 -1.74 0.00 0.00 39.64 39.66 3gk0 n ILE 17 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3gk0 n ASP 18 N -0.41 -0.19 -0.04 7.28 8.00 -1.26 -0.91 116.55 129.02 3gk0 n ASP 18 Ca 0.08 1.13 0.14 0.00 0.71 0.00 0.00 54.79 56.85 3gk0 n ASP 18 Cb 0.43 -0.36 0.63 0.00 -0.02 0.00 0.00 41.12 41.80 3gk0 n ASP 18 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gk0 n HIS 19 N -5.01 0.00 -0.06 1.24 8.25 -1.26 -1.82 115.22 116.55 3gk0 n HIS 19 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.46 3gk0 n HIS 19 Cb 0.38 -0.29 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 3gk0 n HIS 19 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gk0 h VAL 20 N 0.21 1.30 -0.50 1.59 2.07 -1.37 -2.85 116.25 116.70 3gk0 h VAL 20 Ca 0.00 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3gk0 h VAL 20 Cb 0.38 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3gk0 h VAL 20 CO 0.00 0.32 0.33 0.00 0.02 0.00 0.00 177.57 178.24 3gk0 h ALA 21 N 0.70 1.79 -0.58 1.67 0.00 -1.33 -1.91 119.26 119.60 3gk0 h ALA 21 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3gk0 h ALA 21 Cb 0.52 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3gk0 h ALA 21 CO 0.02 0.15 0.26 1.15 0.00 0.00 0.00 179.25 180.83 3gk0 h THR 22 N 0.55 1.22 -0.48 0.00 2.02 -1.31 -0.04 112.91 114.86 3gk0 h THR 22 Ca 0.20 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 3gk0 h THR 22 Cb 0.13 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3gk0 h THR 22 CO -0.05 0.25 -0.11 0.25 0.37 0.00 0.00 175.52 176.23 3gk0 h LEU 23 N 0.80 0.88 0.03 2.58 5.85 -1.14 -2.90 115.31 121.40 3gk0 h LEU 23 Ca 0.20 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3gk0 h LEU 23 Cb 0.16 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3gk0 h LEU 23 CO -0.02 1.00 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.98 3gk0 h ARG 24 N 0.79 -0.04 0.00 1.25 2.43 -1.04 -3.14 114.38 114.64 3gk0 h ARG 24 Ca 0.13 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3gk0 h ARG 24 Cb 0.63 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3gk0 h ARG 24 CO 0.04 0.24 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.82 3gk0 h ASN 25 N -0.32 0.00 0.91 -3.80 4.21 -0.99 -1.55 115.58 114.04 3gk0 h ASN 25 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3gk0 h ASN 25 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 3gk0 h ASN 25 CO 0.01 0.01 0.00 0.00 -1.29 0.00 0.00 177.43 176.16 3gk0 h ALA 26 N 1.99 1.00 0.00 -0.83 0.00 -1.45 -3.32 119.26 116.65 3gk0 h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gk0 h ALA 26 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gk0 h ALA 26 CO 0.00 0.00 -0.94 -2.13 0.00 0.00 0.00 179.25 176.18 3gk0 n ARG 27 N -2.53 1.18 -0.76 0.00 3.00 -0.87 -5.06 116.66 111.63 3gk0 n ARG 27 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 3gk0 n ARG 27 Cb 0.28 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 31.76 3gk0 n ARG 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gk0 n GLY 28 N 2.48 0.63 0.42 5.14 0.00 -0.64 -5.06 105.19 108.15 3gk0 n GLY 28 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3gk0 n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gk0 n THR 29 N -2.74 0.00 1.49 2.61 -2.24 -1.26 -5.00 114.28 107.15 3gk0 n THR 29 Ca 0.00 -0.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 3gk0 n THR 29 Cb 0.00 -1.40 0.53 0.00 -2.10 0.00 0.00 70.33 67.35 3gk0 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gk0 n ALA 30 N -3.00 2.57 -2.51 6.98 0.00 -1.26 -4.81 120.51 118.47 3gk0 n ALA 30 Ca -0.02 -0.43 -0.24 0.00 0.00 0.00 0.00 53.44 52.75 3gk0 n ALA 30 Cb 0.06 -1.18 -0.15 0.00 0.00 0.00 0.00 19.45 18.18 3gk0 n ALA 30 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gk0 s TYR 31 N -1.94 1.59 0.44 0.00 1.51 -1.26 -3.16 117.35 114.53 3gk0 s TYR 31 Ca 0.37 -0.33 -0.24 0.00 -1.01 0.00 0.00 57.07 55.86 3gk0 s TYR 31 Cb 0.20 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.98 3gk0 s TYR 31 CO 0.31 0.02 1.21 -1.25 -1.11 0.00 0.00 175.55 174.73 3gk0 s PRO 32 N -0.75 3.82 -0.35 -1.71 0.04 -1.26 -4.33 135.00 130.47 3gk0 s PRO 32 Ca 0.06 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 3gk0 s PRO 32 Cb -0.08 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.94 3gk0 s PRO 32 CO 0.00 -0.53 0.86 0.34 0.04 0.00 0.00 177.00 177.71 3gk0 s ASP 33 N -1.14 6.66 0.46 6.66 2.15 -1.19 -4.54 116.67 125.72 3gk0 s ASP 33 Ca 0.61 0.57 0.12 0.00 0.43 0.00 0.00 52.55 54.29 3gk0 s ASP 33 Cb -0.32 -2.43 1.05 0.00 -0.30 0.00 0.00 42.92 40.92 3gk0 s ASP 33 CO 0.40 -0.76 2.07 -0.65 -0.17 0.00 0.00 175.17 176.06 3gk0 h PRO 34 N 8.35 0.19 -0.16 4.34 0.11 -1.88 -1.31 132.00 141.63 3gk0 h PRO 34 Ca -0.24 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3gk0 h PRO 34 Cb 1.09 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3gk0 h PRO 34 CO 0.94 0.18 0.02 0.28 -0.21 0.00 0.00 178.00 179.20 3gk0 h VAL 35 N 0.19 1.24 -0.50 3.15 2.07 -1.91 -1.35 116.25 119.13 3gk0 h VAL 35 Ca 0.05 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 3gk0 h VAL 35 Cb 0.07 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3gk0 h VAL 35 CO -0.00 0.23 0.07 -0.09 0.02 0.00 0.00 177.57 177.79 3gk0 h ARG 36 N 0.04 0.80 -0.67 1.57 2.43 -1.92 -2.09 114.38 114.55 3gk0 h ARG 36 Ca 0.05 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3gk0 h ARG 36 Cb 0.34 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3gk0 h ARG 36 CO 0.01 0.76 0.35 0.00 -1.51 0.00 0.00 179.97 179.58 3gk0 h ALA 37 N 1.31 0.86 0.06 2.80 0.00 -1.06 -1.29 119.26 121.94 3gk0 h ALA 37 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gk0 h ALA 37 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gk0 h ALA 37 CO 0.01 0.39 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 3gk0 h ALA 38 N 1.17 -0.08 -0.35 0.00 0.00 -0.91 -1.32 119.26 117.76 3gk0 h ALA 38 Ca 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gk0 h ALA 38 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3gk0 h ALA 38 CO -0.03 -0.47 0.03 -0.07 0.00 0.00 0.00 179.25 178.71 3gk0 h LEU 39 N -0.23 0.50 -0.60 0.00 3.38 -1.29 -1.68 115.31 115.38 3gk0 h LEU 39 Ca -0.01 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3gk0 h LEU 39 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gk0 h LEU 39 CO 0.01 0.54 -0.41 0.00 0.09 0.00 0.00 178.44 178.68 3gk0 h ALA 40 N 1.52 0.87 -0.52 1.53 0.00 -1.13 -2.78 119.26 118.75 3gk0 h ALA 40 Ca 0.12 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3gk0 h ALA 40 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3gk0 h ALA 40 CO 0.01 0.51 -0.12 0.00 0.00 0.00 0.00 179.25 179.64 3gk0 h ALA 41 N 1.59 0.80 -0.68 0.00 0.00 -0.32 -1.80 119.26 118.86 3gk0 h ALA 41 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3gk0 h ALA 41 Cb 1.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3gk0 h ALA 41 CO 0.05 0.66 0.31 0.93 0.00 0.00 0.00 179.25 181.21 3gk0 h GLU 42 N 0.87 0.98 -0.31 0.00 5.08 -1.39 0.38 114.58 120.20 3gk0 h GLU 42 Ca 0.13 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3gk0 h GLU 42 Cb 0.68 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3gk0 h GLU 42 CO 0.05 0.79 0.03 -0.44 -1.00 0.00 0.00 179.01 178.44 3gk0 h ASP 43 N 0.94 0.43 0.44 1.42 3.32 -1.28 -2.59 116.42 119.11 3gk0 h ASP 43 Ca 0.23 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3gk0 h ASP 43 Cb 0.14 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3gk0 h ASP 43 CO -0.03 0.47 -0.09 0.00 -1.72 0.00 0.00 179.24 177.87 3gk0 n ALA 44 N -2.48 2.70 0.00 3.45 0.00 -0.70 -4.89 120.51 118.59 3gk0 n ALA 44 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3gk0 n ALA 44 Cb 0.21 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3gk0 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk0 n GLY 45 N 1.30 0.98 3.77 0.00 0.00 -0.94 -3.96 105.19 106.34 3gk0 n GLY 45 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3gk0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk0 n ALA 46 N 0.00 2.38 0.06 4.61 0.00 0.08 -4.87 120.51 122.78 3gk0 n ALA 46 Ca 0.00 0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.87 3gk0 n ALA 46 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 19.45 16.97 3gk0 n ALA 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gk0 n ASP 47 N 0.63 0.65 -3.69 0.00 8.00 -0.03 -4.56 116.55 117.55 3gk0 n ASP 47 Ca 0.02 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.68 3gk0 n ASP 47 Cb 0.39 0.75 -0.05 0.00 -0.02 0.00 0.00 41.12 42.19 3gk0 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk0 s ALA 48 N -3.31 -0.77 -0.13 2.24 0.00 -1.11 -3.64 121.76 115.04 3gk0 s ALA 48 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 3gk0 s ALA 48 Cb 0.10 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 3gk0 s ALA 48 CO 0.82 -0.62 -0.12 0.42 0.00 0.00 0.00 175.76 176.27 3gk0 s ILE 49 N -3.82 3.19 -0.08 0.00 -1.09 0.37 -1.94 121.20 117.82 3gk0 s ILE 49 Ca 0.04 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 3gk0 s ILE 49 Cb 0.02 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 3gk0 s ILE 49 CO -0.11 0.52 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.13 3gk0 s THR 50 N 0.30 3.41 -0.14 2.92 2.01 0.21 0.40 115.64 124.75 3gk0 s THR 50 Ca -0.09 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 3gk0 s THR 50 Cb -0.15 -2.40 0.04 0.00 0.01 0.00 0.00 72.50 70.00 3gk0 s THR 50 CO 0.05 0.57 0.37 -1.48 -0.69 0.00 0.00 174.62 173.44 3gk0 s LEU 51 N -0.45 0.37 -0.50 4.42 2.34 -0.93 -1.83 118.68 122.10 3gk0 s LEU 51 Ca 0.06 0.76 -0.16 0.00 0.06 0.00 0.00 54.13 54.86 3gk0 s LEU 51 Cb -0.12 1.23 0.10 0.00 -0.56 0.00 0.00 46.19 46.84 3gk0 s LEU 51 CO 0.02 -0.15 0.44 -2.28 -1.06 0.00 0.00 176.35 173.32 3gk0 s HIS 52 N 0.66 3.25 -0.72 3.48 5.65 -1.26 -1.54 115.29 124.81 3gk0 s HIS 52 Ca -0.04 -1.09 -0.27 0.00 0.25 0.00 0.00 55.06 53.91 3gk0 s HIS 52 Cb -0.05 -3.44 0.03 0.00 -1.18 0.00 0.00 32.58 27.93 3gk0 s HIS 52 CO -0.04 -0.89 1.33 -1.17 -0.65 0.00 0.00 174.74 173.32 3gk0 s LEU 53 N 1.62 3.18 0.62 8.88 0.20 -0.93 -4.42 118.68 127.84 3gk0 s LEU 53 Ca 0.04 -0.35 -0.12 0.00 0.69 0.00 0.00 54.13 54.38 3gk0 s LEU 53 Cb -0.27 -2.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.88 3gk0 s LEU 53 CO 0.05 -1.88 1.03 -0.13 -0.29 0.00 0.00 176.35 175.14 3gk0 s ARG 54 N 5.83 3.44 0.23 1.98 0.52 -1.26 -4.63 118.95 125.06 3gk0 s ARG 54 Ca 0.38 0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 56.41 3gk0 s ARG 54 Cb -0.08 -2.06 0.23 0.00 0.52 0.00 0.00 34.95 33.56 3gk0 s ARG 54 CO 0.16 -0.70 1.80 1.49 0.02 0.00 0.00 175.30 178.08 3gk0 h GLU 55 N -0.20 1.12 -0.34 3.54 4.81 -1.97 -2.31 114.58 119.23 3gk0 h GLU 55 Ca -0.45 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 3gk0 h GLU 55 Cb 1.20 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3gk0 h GLU 55 CO 0.60 0.91 0.00 -0.40 -0.73 0.00 0.00 179.01 179.39 3gk0 n ASP 56 N -4.28 1.71 -4.35 1.04 5.68 -1.26 -4.95 116.55 110.14 3gk0 n ASP 56 Ca 0.07 -2.03 -0.37 0.00 -0.50 0.00 0.00 54.79 51.96 3gk0 n ASP 56 Cb 0.18 -0.23 -0.08 0.00 -1.14 0.00 0.00 41.12 39.85 3gk0 n ASP 56 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gk0 n ARG 57 N 0.38 -0.81 -0.26 0.11 3.00 -0.87 -4.83 116.66 113.38 3gk0 n ARG 57 Ca 0.10 0.12 -0.06 0.00 -0.01 0.00 0.00 57.85 58.00 3gk0 n ARG 57 Cb 0.28 -4.10 0.05 0.00 0.00 0.00 0.00 32.46 28.70 3gk0 n ARG 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3gk0 h ARG 58 N -1.15 1.01 0.00 5.56 9.65 -1.92 -3.43 114.38 124.09 3gk0 h ARG 58 Ca -0.60 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.15 3gk0 h ARG 58 Cb 1.33 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 3gk0 h ARG 58 CO 0.79 0.77 0.00 -2.39 2.80 0.00 0.00 179.97 181.94 3gk0 n HIS 59 N -4.46 0.00 -2.12 2.20 1.44 -1.26 -4.88 115.22 106.14 3gk0 n HIS 59 Ca 0.06 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.36 3gk0 n HIS 59 Cb 0.11 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.20 3gk0 n HIS 59 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3gk0 s ILE 60 N 0.00 2.76 0.42 0.61 -1.09 -1.26 -4.72 121.20 117.92 3gk0 s ILE 60 Ca 0.00 0.74 0.06 0.00 -2.23 0.00 0.00 60.65 59.22 3gk0 s ILE 60 Cb 0.00 -3.47 -0.07 0.00 -1.58 0.00 0.00 42.46 37.34 3gk0 s ILE 60 CO 0.00 0.16 0.03 0.68 -1.23 0.00 0.00 174.94 174.58 3gk0 s VAL 61 N -0.91 1.93 0.22 2.92 -7.23 -1.26 -4.45 120.40 111.62 3gk0 s VAL 61 Ca 0.51 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.62 3gk0 s VAL 61 Cb -0.40 -2.90 0.17 0.00 0.56 0.00 0.00 36.38 33.82 3gk0 s VAL 61 CO 0.50 0.00 1.87 0.44 -0.31 0.00 0.00 175.10 177.61 3gk0 h ASP 62 N 1.68 0.95 -0.24 4.85 5.19 -1.96 -1.99 116.42 124.90 3gk0 h ASP 62 Ca -0.44 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.91 3gk0 h ASP 62 Cb 1.25 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 3gk0 h ASP 62 CO 0.79 0.72 0.12 0.00 -3.12 0.00 0.00 179.24 177.75 3gk0 h ALA 63 N 1.27 1.70 0.42 3.45 0.00 -1.99 -1.98 119.26 122.13 3gk0 h ALA 63 Ca 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gk0 h ALA 63 Cb -0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gk0 h ALA 63 CO -0.06 0.25 -0.25 -0.44 0.00 0.00 0.00 179.25 178.75 3gk0 h ASP 64 N 0.38 -0.63 -0.70 0.00 3.45 -1.77 -1.44 116.42 115.71 3gk0 h ASP 64 Ca 0.10 0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.60 3gk0 h ASP 64 Cb 0.06 0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.98 3gk0 h ASP 64 CO -0.01 -0.40 0.46 0.58 -1.57 0.00 0.00 179.24 178.29 3gk0 h VAL 65 N -0.64 1.18 -0.41 -1.35 2.07 -1.36 -2.07 116.25 113.67 3gk0 h VAL 65 Ca -0.05 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 66.99 3gk0 h VAL 65 Cb 0.52 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3gk0 h VAL 65 CO 0.05 0.18 -0.29 0.03 0.02 0.00 0.00 177.57 177.56 3gk0 h ARG 66 N 0.95 0.90 -0.34 1.57 3.08 -1.35 -2.40 114.38 116.79 3gk0 h ARG 66 Ca 0.26 -0.41 -0.17 0.00 0.07 0.00 0.00 59.98 59.72 3gk0 h ARG 66 Cb -0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3gk0 h ARG 66 CO -0.05 1.07 -0.47 1.15 -1.07 0.00 0.00 179.97 180.59 3gk0 h THR 67 N 0.76 1.27 -0.03 2.04 2.02 -1.17 -3.30 112.91 114.50 3gk0 h THR 67 Ca 0.08 -1.64 -0.17 0.00 0.77 0.00 0.00 66.41 65.45 3gk0 h THR 67 Cb 0.86 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3gk0 h THR 67 CO 0.08 0.54 -0.73 0.25 0.37 0.00 0.00 175.52 176.03 3gk0 h LEU 68 N 0.73 0.23 -0.43 2.58 5.85 -1.36 -3.39 115.31 119.51 3gk0 h LEU 68 Ca 0.04 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.66 3gk0 h LEU 68 Cb 1.07 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3gk0 h LEU 68 CO 0.11 0.88 0.15 -0.09 -0.34 0.00 0.00 178.44 179.14 3gk0 h ARG 69 N 0.13 0.30 0.00 1.25 9.65 -1.51 -0.02 114.38 124.19 3gk0 h ARG 69 Ca -0.02 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3gk0 h ARG 69 Cb 1.29 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3gk0 h ARG 69 CO 0.11 0.20 0.00 -0.35 2.80 0.00 0.00 179.97 182.73 3gk0 n PRO 70 N -5.02 0.54 0.00 0.20 -0.05 -1.26 -3.31 135.00 126.10 3gk0 n PRO 70 Ca 0.03 0.02 0.10 0.00 -0.05 0.00 0.00 63.50 63.60 3gk0 n PRO 70 Cb 0.17 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.00 3gk0 n PRO 70 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3gk0 n ARG 71 N -1.20 0.04 -1.75 0.54 5.12 -0.06 -4.96 116.66 114.39 3gk0 n ARG 71 Ca 0.16 -0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.63 3gk0 n ARG 71 Cb 0.19 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.96 3gk0 n ARG 71 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3gk0 s VAL 72 N -2.98 2.92 -0.37 1.55 1.01 -0.99 -4.89 120.40 116.65 3gk0 s VAL 72 Ca 0.08 0.16 0.23 0.00 0.00 0.00 0.00 61.98 62.45 3gk0 s VAL 72 Cb 0.16 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 33.33 3gk0 s VAL 72 CO 0.86 -0.01 0.94 0.29 0.00 0.00 0.00 175.10 177.19 3gk0 n LYS 73 N 6.65 0.47 0.00 2.72 4.76 -1.26 -4.88 118.16 126.62 3gk0 n LYS 73 Ca 0.18 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3gk0 n LYS 73 Cb 0.40 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3gk0 n LYS 73 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3gk0 n THR 74 N -2.28 0.00 -4.18 -0.18 -2.24 -1.26 -5.14 114.28 99.00 3gk0 n THR 74 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3gk0 n THR 74 Cb 0.50 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.61 3gk0 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gk0 s ARG 75 N 1.77 0.67 -0.22 -0.78 0.52 -1.24 -5.04 118.95 114.63 3gk0 s ARG 75 Ca 0.00 -0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 54.46 3gk0 s ARG 75 Cb 0.00 -0.58 -0.03 0.00 0.52 0.00 0.00 34.95 34.86 3gk0 s ARG 75 CO 0.00 0.13 0.07 1.41 0.02 0.00 0.00 175.30 176.93 3gk0 s MET 76 N -1.20 3.78 -0.42 3.54 -2.45 -1.26 -0.48 119.30 120.81 3gk0 s MET 76 Ca -0.03 -0.42 -0.09 0.00 -1.25 0.00 0.00 55.69 53.90 3gk0 s MET 76 Cb -0.08 -3.29 0.08 0.00 1.25 0.00 0.00 34.83 32.80 3gk0 s MET 76 CO 0.01 -0.01 0.26 1.21 1.05 0.00 0.00 175.02 177.54 3gk0 s ASN 77 N 1.14 5.61 -0.45 1.11 2.47 0.16 -1.19 114.94 123.79 3gk0 s ASN 77 Ca 0.04 -1.58 -0.19 0.00 0.42 0.00 0.00 52.86 51.55 3gk0 s ASN 77 Cb -0.14 -1.98 0.03 0.00 -1.45 0.00 0.00 41.25 37.71 3gk0 s ASN 77 CO 0.03 -0.55 0.58 -0.22 -3.72 0.00 0.00 177.10 173.22 3gk0 s LEU 78 N 1.40 4.70 -0.02 3.21 0.20 -0.07 -2.20 118.68 125.91 3gk0 s LEU 78 Ca 0.03 -0.56 -0.28 0.00 0.69 0.00 0.00 54.13 54.01 3gk0 s LEU 78 Cb -0.23 -2.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.92 3gk0 s LEU 78 CO 0.01 -0.75 0.89 -1.61 -0.29 0.00 0.00 176.35 174.60 3gk0 s GLU 79 N 2.60 4.52 0.21 1.98 2.02 -0.59 -1.52 118.70 127.92 3gk0 s GLU 79 Ca 0.18 1.24 -0.19 0.00 0.02 0.00 0.00 54.97 56.22 3gk0 s GLU 79 Cb -0.16 -3.45 0.03 0.00 0.10 0.00 0.00 34.13 30.65 3gk0 s GLU 79 CO 0.16 -0.00 0.59 0.00 0.02 0.00 0.00 175.26 176.02 3gk0 s ALA 81 N -3.87 2.94 -1.21 0.00 0.00 -1.26 -1.82 121.76 116.55 3gk0 s ALA 81 Ca 0.09 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 3gk0 s ALA 81 Cb -0.02 -2.82 0.20 0.00 0.00 0.00 0.00 23.12 20.48 3gk0 s ALA 81 CO -0.02 -1.33 1.59 0.28 0.00 0.00 0.00 175.76 176.28 3gk0 n VAL 82 N -3.03 4.51 -4.12 0.00 0.31 -1.26 -4.51 118.33 110.22 3gk0 n VAL 82 Ca 0.07 -4.87 -0.14 0.00 -0.01 0.00 0.00 64.34 59.39 3gk0 n VAL 82 Cb 0.60 -2.37 -0.11 0.00 -0.91 0.00 0.00 33.84 31.04 3gk0 n VAL 82 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gk0 s THR 83 N 0.05 0.77 0.29 2.52 -4.23 -1.26 -5.06 115.64 108.73 3gk0 s THR 83 Ca 0.38 -1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 59.55 3gk0 s THR 83 Cb 0.03 -0.97 0.21 0.00 1.34 0.00 0.00 72.50 73.10 3gk0 s THR 83 CO 0.01 -0.42 1.90 -0.65 -0.54 0.00 0.00 174.62 174.91 3gk0 h PRO 84 N 4.12 0.94 0.34 3.99 0.11 -1.98 -1.41 132.00 138.10 3gk0 h PRO 84 Ca -0.37 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3gk0 h PRO 84 Cb 1.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gk0 h PRO 84 CO 0.45 0.73 -0.18 0.93 -0.21 0.00 0.00 178.00 179.72 3gk0 h GLU 85 N 0.94 -0.47 -0.45 1.05 3.07 -1.98 0.82 114.58 117.56 3gk0 h GLU 85 Ca 0.23 0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.03 3gk0 h GLU 85 Cb 0.10 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 3gk0 h GLU 85 CO -0.03 -0.31 -0.08 0.52 -1.40 0.00 0.00 179.01 177.70 3gk0 h MET 86 N -0.49 0.80 -0.48 2.33 2.86 -1.86 -0.56 114.93 117.53 3gk0 h MET 86 Ca -0.04 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.27 3gk0 h MET 86 Cb 0.39 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3gk0 h MET 86 CO 0.06 0.86 -0.01 -0.07 1.06 0.00 0.00 176.91 178.81 3gk0 h LEU 87 N 0.73 0.77 -0.68 1.22 3.38 -1.17 -0.73 115.31 118.83 3gk0 h LEU 87 Ca 0.13 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3gk0 h LEU 87 Cb 0.57 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3gk0 h LEU 87 CO 0.03 0.85 0.17 0.44 0.09 0.00 0.00 178.44 180.03 3gk0 h ASP 88 N 0.75 1.03 -0.45 -0.43 5.19 -0.06 -1.18 116.42 121.26 3gk0 h ASP 88 Ca 0.14 -0.23 -0.07 0.00 -0.62 0.00 0.00 57.03 56.26 3gk0 h ASP 88 Cb 0.47 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3gk0 h ASP 88 CO 0.02 0.99 0.03 0.40 -3.12 0.00 0.00 179.24 177.56 3gk0 h ILE 89 N 1.02 1.26 -0.73 0.35 2.04 -0.90 -2.44 117.51 118.10 3gk0 h ILE 89 Ca 0.22 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.09 3gk0 h ILE 89 Cb 0.36 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3gk0 h ILE 89 CO 0.00 0.35 0.48 0.00 0.00 0.00 0.00 178.15 178.98 3gk0 h ALA 90 N 0.93 0.93 0.00 1.87 0.00 -0.96 -1.00 119.26 121.03 3gk0 h ALA 90 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gk0 h ALA 90 Cb 0.46 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gk0 h ALA 90 CO 0.02 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.56 3gk0 h GLU 92 N 0.00 0.33 0.00 0.00 4.81 -0.92 -3.35 114.58 115.46 3gk0 h GLU 92 Ca -0.00 -0.57 -0.11 0.00 -0.13 0.00 0.00 59.36 58.55 3gk0 h GLU 92 Cb 0.48 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3gk0 h GLU 92 CO 0.01 1.23 -0.53 0.82 -0.73 0.00 0.00 179.01 179.81 3gk0 h ILE 93 N 0.09 1.05 -6.23 2.32 2.04 -0.98 -3.48 117.51 112.32 3gk0 h ILE 93 Ca -0.32 -2.08 -0.44 0.00 1.00 0.00 0.00 64.86 63.02 3gk0 h ILE 93 Cb 2.07 2.24 0.04 0.00 -0.74 0.00 0.00 36.82 40.44 3gk0 h ILE 93 CO 0.16 0.52 -0.89 0.54 0.00 0.00 0.00 178.15 178.48 3gk0 n ARG 94 N -3.43 -2.82 -0.98 2.37 1.74 -0.46 -4.96 116.66 108.12 3gk0 n ARG 94 Ca 0.00 0.50 -0.31 0.00 -0.77 0.00 0.00 57.85 57.28 3gk0 n ARG 94 Cb 0.65 -4.59 0.14 0.00 -1.02 0.00 0.00 32.46 27.65 3gk0 n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gk0 s PRO 95 N -6.07 1.32 0.07 5.56 0.04 -1.26 -4.93 135.00 129.73 3gk0 s PRO 95 Ca 0.21 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 3gk0 s PRO 95 Cb -0.07 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 3gk0 s PRO 95 CO 0.85 -2.31 1.51 0.45 0.04 0.00 0.00 177.00 177.54 3gk0 h HIS 96 N -1.62 0.35 -4.13 0.56 3.86 -1.81 -3.41 115.15 108.95 3gk0 h HIS 96 Ca -0.46 -0.06 -0.60 0.00 -1.16 0.00 0.00 60.37 58.09 3gk0 h HIS 96 Cb 1.26 -0.09 -0.25 0.00 1.06 0.00 0.00 27.41 29.39 3gk0 h HIS 96 CO 0.49 0.52 -0.85 -0.51 0.86 0.00 0.00 177.93 178.45 3gk0 s ASP 97 N -5.82 2.66 -0.02 2.45 1.01 -0.33 -1.15 116.67 115.46 3gk0 s ASP 97 Ca -0.14 -0.58 0.05 0.00 0.71 0.00 0.00 52.55 52.59 3gk0 s ASP 97 Cb 0.06 -0.21 -0.01 0.00 1.01 0.00 0.00 42.92 43.78 3gk0 s ASP 97 CO 0.73 0.16 -0.17 0.00 0.21 0.00 0.00 175.17 176.10 3gk0 s ALA 98 N -0.88 1.40 -0.20 5.23 0.00 -0.75 -0.89 121.76 125.67 3gk0 s ALA 98 Ca 0.08 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3gk0 s ALA 98 Cb -0.09 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3gk0 s ALA 98 CO 0.03 0.32 -0.16 0.00 0.00 0.00 0.00 175.76 175.95 3gk0 s LEU 100 N 1.28 4.20 0.10 0.00 1.43 0.58 -1.98 118.68 124.28 3gk0 s LEU 100 Ca 0.02 1.38 0.07 0.00 -1.03 0.00 0.00 54.13 54.56 3gk0 s LEU 100 Cb -0.15 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 3gk0 s LEU 100 CO -0.10 -0.46 -0.16 0.68 0.23 0.00 0.00 176.35 176.53 3gk0 s VAL 101 N 2.23 1.40 0.14 -1.59 -7.23 -0.76 -1.73 120.40 112.87 3gk0 s VAL 101 Ca 0.44 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 3gk0 s VAL 101 Cb -0.17 -1.39 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 3gk0 s VAL 101 CO 0.14 -0.23 1.01 -2.16 -0.31 0.00 0.00 175.10 173.55 3gk0 s PRO 102 N -2.11 4.67 -0.08 4.82 0.04 -1.26 -4.15 135.00 136.93 3gk0 s PRO 102 Ca 0.05 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 3gk0 s PRO 102 Cb -0.08 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 3gk0 s PRO 102 CO 0.03 0.18 -0.11 0.39 0.04 0.00 0.00 177.00 177.53 3gk0 n GLU 103 N 2.57 0.17 -2.28 4.56 1.02 -1.26 -5.02 120.64 120.40 3gk0 n GLU 103 Ca 0.02 0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 56.90 3gk0 n GLU 103 Cb 0.48 -0.79 -0.00 0.00 -0.02 0.00 0.00 31.44 31.11 3gk0 n GLU 103 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gk0 s LYS 104 N -2.15 3.44 0.56 3.49 1.02 -1.26 -4.94 119.74 119.89 3gk0 s LYS 104 Ca -0.11 1.47 0.29 0.00 0.02 0.00 0.00 55.97 57.64 3gk0 s LYS 104 Cb 0.04 -2.03 1.67 0.00 -0.52 0.00 0.00 37.83 36.99 3gk0 s LYS 104 CO 0.14 -0.75 2.17 0.07 -0.92 0.00 0.00 175.35 176.06 3gk0 h ARG 105 N 1.13 0.00 0.00 1.68 -0.00 -1.97 -2.24 114.38 112.98 3gk0 h ARG 105 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 3gk0 h ARG 105 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 3gk0 h ARG 105 CO 0.57 0.06 0.00 -1.13 -0.00 0.00 0.00 179.97 179.47 3gk0 n SER 106 N -3.70 0.00 -0.63 0.08 3.41 -1.26 -3.21 113.62 108.32 3gk0 n SER 106 Ca -0.02 0.17 0.08 0.00 -0.26 0.00 0.00 58.87 58.84 3gk0 n SER 106 Cb 0.16 -0.38 0.07 0.00 -0.26 0.00 0.00 64.21 63.80 3gk0 n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gk0 n GLU 107 N -1.38 1.18 -4.07 4.33 1.02 -0.84 -4.98 120.64 115.90 3gk0 n GLU 107 Ca 0.09 -1.44 -0.35 0.00 -0.02 0.00 0.00 57.16 55.44 3gk0 n GLU 107 Cb 0.23 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 30.27 3gk0 n GLU 107 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gk0 s LEU 108 N -1.30 3.93 0.83 -4.62 1.43 -1.20 -1.26 118.68 116.50 3gk0 s LEU 108 Ca 0.18 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 3gk0 s LEU 108 Cb 0.13 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.48 3gk0 s LEU 108 CO 0.20 0.31 1.11 0.42 0.23 0.00 0.00 176.35 178.62 3gk0 s THR 109 N -0.45 2.69 0.36 5.49 -4.23 -0.89 -4.83 115.64 113.78 3gk0 s THR 109 Ca 0.10 0.22 0.09 0.00 -1.18 0.00 0.00 61.69 60.92 3gk0 s THR 109 Cb -0.12 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.84 3gk0 s THR 109 CO 0.02 -0.29 1.85 0.71 -0.54 0.00 0.00 174.62 176.37 3gk0 h THR 110 N -1.19 1.22 -0.28 3.99 1.35 -1.99 -2.42 112.91 113.60 3gk0 h THR 110 Ca -0.48 -1.01 -0.11 0.00 -0.55 0.00 0.00 66.41 64.27 3gk0 h THR 110 Cb 1.29 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 3gk0 h THR 110 CO 0.61 0.31 -0.27 -0.08 -0.25 0.00 0.00 175.52 175.83 3gk0 h GLU 111 N 0.22 0.55 0.00 4.72 4.81 -2.04 -3.48 114.58 119.37 3gk0 h GLU 111 Ca 0.04 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3gk0 h GLU 111 Cb 0.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3gk0 h GLU 111 CO 0.03 0.77 0.00 0.41 -0.73 0.00 0.00 179.01 179.50 3gk0 n GLY 112 N -0.28 0.92 3.90 1.92 0.00 -0.91 -4.97 105.19 105.76 3gk0 n GLY 112 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3gk0 n GLY 112 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gk0 s GLY 113 N -0.83 1.61 0.16 -0.02 0.00 -1.26 -4.73 107.32 102.25 3gk0 s GLY 113 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 44.72 43.70 3gk0 s GLY 113 CO 0.00 -0.18 1.47 -2.27 0.00 0.00 0.00 173.10 172.12 3gk0 s LEU 114 N -5.65 4.38 -1.18 0.66 2.96 -0.58 -2.10 118.68 117.17 3gk0 s LEU 114 Ca 0.64 2.50 -0.20 0.00 -0.22 0.00 0.00 54.13 56.84 3gk0 s LEU 114 Cb -0.10 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.03 3gk0 s LEU 114 CO 0.50 -0.73 1.69 -0.62 -1.32 0.00 0.00 176.35 175.87 3gk0 s ASP 115 N 0.97 6.43 0.16 3.68 3.68 -0.39 -4.77 116.67 126.42 3gk0 s ASP 115 Ca 0.66 -1.96 -0.08 0.00 2.13 0.00 0.00 52.55 53.30 3gk0 s ASP 115 Cb -0.40 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.49 3gk0 s ASP 115 CO 0.33 -1.59 1.45 0.58 0.13 0.00 0.00 175.17 176.07 3gk0 h VAL 116 N 6.10 1.30 -0.69 1.11 2.07 -1.92 -2.21 116.25 122.01 3gk0 h VAL 116 Ca 0.33 -1.78 0.09 0.00 0.82 0.00 0.00 66.70 66.16 3gk0 h VAL 116 Cb 0.93 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 3gk0 h VAL 116 CO 1.41 0.57 0.34 0.58 0.02 0.00 0.00 177.57 180.48 3gk0 h VAL 117 N 0.55 0.85 0.00 2.57 2.07 -1.90 -0.90 116.25 119.49 3gk0 h VAL 117 Ca 0.01 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3gk0 h VAL 117 Cb 1.14 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3gk0 h VAL 117 CO 0.12 0.11 -0.38 1.23 0.02 0.00 0.00 177.57 178.66 3gk0 h GLY 118 N 0.58 0.00 -3.16 2.17 0.00 -1.91 -3.30 103.07 97.44 3gk0 h GLY 118 Ca 0.34 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.40 3gk0 h GLY 118 CO -0.26 0.00 -0.82 1.42 0.00 0.00 0.00 176.54 176.88 3gk0 n HIS 119 N -3.26 1.22 -0.09 5.60 8.25 -0.85 -4.92 115.22 121.17 3gk0 n HIS 119 Ca 0.02 -1.72 -0.06 0.00 -0.26 0.00 0.00 57.72 55.70 3gk0 n HIS 119 Cb 0.64 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3gk0 n HIS 119 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3gk0 h PHE 120 N 1.73 -0.29 -0.68 4.41 3.57 -1.25 -0.18 116.94 124.26 3gk0 h PHE 120 Ca 0.07 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3gk0 h PHE 120 Cb 1.39 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 3gk0 h PHE 120 CO 0.65 -0.19 0.12 -0.44 -2.23 0.00 0.00 178.31 176.21 3gk0 h ASP 121 N -0.06 1.07 -0.13 0.41 3.32 -1.91 0.13 116.42 119.25 3gk0 h ASP 121 Ca 0.17 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3gk0 h ASP 121 Cb 0.31 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3gk0 h ASP 121 CO -0.38 1.05 0.07 0.00 -1.72 0.00 0.00 179.24 178.26 3gk0 h ALA 122 N 1.05 0.17 -0.51 3.45 0.00 -1.80 -1.80 119.26 119.82 3gk0 h ALA 122 Ca 0.21 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3gk0 h ALA 122 Cb 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3gk0 h ALA 122 CO 0.01 -0.28 0.06 0.28 0.00 0.00 0.00 179.25 179.31 3gk0 h VAL 123 N 0.10 1.26 -0.80 0.00 2.07 -0.76 -1.37 116.25 116.75 3gk0 h VAL 123 Ca 0.05 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3gk0 h VAL 123 Cb 0.09 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3gk0 h VAL 123 CO -0.01 0.35 0.46 -0.09 0.02 0.00 0.00 177.57 178.30 3gk0 h ARG 124 N 0.74 1.10 -0.39 1.57 2.43 -0.68 -0.61 114.38 118.54 3gk0 h ARG 124 Ca 0.15 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 3gk0 h ARG 124 Cb 0.44 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3gk0 h ARG 124 CO 0.02 0.80 -0.29 0.00 -1.51 0.00 0.00 179.97 178.99 3gk0 h ALA 125 N 1.24 0.75 -0.53 2.80 0.00 -1.06 -1.33 119.26 121.13 3gk0 h ALA 125 Ca 0.28 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gk0 h ALA 125 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gk0 h ALA 125 CO -0.05 0.66 0.12 0.00 0.00 0.00 0.00 179.25 179.98 3gk0 h ALA 126 N 0.95 1.21 -0.30 0.00 0.00 -1.00 -0.17 119.26 119.94 3gk0 h ALA 126 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gk0 h ALA 126 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3gk0 h ALA 126 CO 0.07 0.54 0.14 0.00 0.00 0.00 0.00 179.25 180.00 3gk0 h LYS 128 N 0.35 1.23 -0.35 0.00 3.11 -0.97 -0.58 116.57 119.35 3gk0 h LYS 128 Ca 0.10 -0.13 -0.12 0.00 -2.81 0.00 0.00 60.65 57.69 3gk0 h LYS 128 Cb 0.14 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.12 3gk0 h LYS 128 CO -0.01 0.89 -0.26 0.37 -2.81 0.00 0.00 179.45 177.63 3gk0 h GLN 129 N 1.24 0.80 -0.10 1.90 4.15 -0.82 -1.53 115.11 120.75 3gk0 h GLN 129 Ca 0.32 -0.39 -0.18 0.00 0.77 0.00 0.00 58.65 59.17 3gk0 h GLN 129 Cb -0.00 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 3gk0 h GLN 129 CO -0.05 1.02 -0.70 -0.07 -1.93 0.00 0.00 178.83 177.10 3gk0 h LEU 130 N 0.59 0.54 -0.98 -2.39 3.38 -1.07 -3.18 115.31 112.20 3gk0 h LEU 130 Ca 0.07 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3gk0 h LEU 130 Cb 0.82 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3gk0 h LEU 130 CO 0.07 1.07 -0.04 0.00 0.09 0.00 0.00 178.44 179.63 3gk0 h ALA 131 N 0.92 1.15 0.00 1.53 0.00 -1.00 -1.54 119.26 120.33 3gk0 h ALA 131 Ca -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gk0 h ALA 131 Cb 1.27 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3gk0 h ALA 131 CO 0.12 0.54 -0.10 -0.44 0.00 0.00 0.00 179.25 179.38 3gk0 h ASP 132 N 0.65 0.00 -0.53 0.00 3.32 -1.26 -1.80 116.42 116.79 3gk0 h ASP 132 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3gk0 h ASP 132 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3gk0 h ASP 132 CO 0.02 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 3gk0 n ALA 133 N -2.24 2.64 -1.27 3.45 0.00 -0.80 -4.94 120.51 117.34 3gk0 n ALA 133 Ca -0.02 -1.07 -0.06 0.00 0.00 0.00 0.00 53.44 52.30 3gk0 n ALA 133 Cb 0.24 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 3gk0 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk0 n GLY 134 N 1.21 0.73 3.72 0.00 0.00 -0.68 -4.87 105.19 105.30 3gk0 n GLY 134 Ca 0.19 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 3gk0 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gk0 s VAL 135 N -2.21 5.34 -0.36 1.61 1.01 -0.65 -4.89 120.40 120.25 3gk0 s VAL 135 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 3gk0 s VAL 135 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3gk0 s VAL 135 CO 0.00 0.39 1.24 -0.60 0.00 0.00 0.00 175.10 176.13 3gk0 s ARG 136 N 0.52 3.86 -0.01 2.72 3.52 -0.30 -3.92 118.95 125.34 3gk0 s ARG 136 Ca 0.14 1.03 -0.15 0.00 -0.13 0.00 0.00 55.73 56.62 3gk0 s ARG 136 Cb -0.12 -3.87 -0.06 0.00 -1.56 0.00 0.00 34.95 29.34 3gk0 s ARG 136 CO 0.02 -1.19 0.40 0.08 -0.81 0.00 0.00 175.30 173.81 3gk0 s VAL 137 N 4.39 5.05 0.08 7.11 1.01 -1.26 -1.81 120.40 134.96 3gk0 s VAL 137 Ca 0.53 0.83 0.07 0.00 0.00 0.00 0.00 61.98 63.41 3gk0 s VAL 137 Cb -0.13 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3gk0 s VAL 137 CO 0.24 0.57 -0.19 -0.55 0.00 0.00 0.00 175.10 175.18 3gk0 s SER 138 N -0.98 2.24 -0.14 3.32 0.15 0.91 -2.39 113.70 116.81 3gk0 s SER 138 Ca 0.23 -0.61 0.02 0.00 0.70 0.00 0.00 55.95 56.30 3gk0 s SER 138 Cb -0.16 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 3gk0 s SER 138 CO 0.13 0.05 -0.21 -0.76 1.20 0.00 0.00 173.24 173.65 3gk0 s LEU 139 N -1.64 2.18 -0.25 3.45 1.43 -1.02 -0.31 118.68 122.53 3gk0 s LEU 139 Ca 0.04 -0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 3gk0 s LEU 139 Cb -0.09 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3gk0 s LEU 139 CO 0.03 0.09 0.92 0.12 0.23 0.00 0.00 176.35 177.73 3gk0 s PHE 140 N 0.77 3.30 0.11 0.29 2.19 -0.71 -1.08 117.98 122.86 3gk0 s PHE 140 Ca -0.08 1.24 -0.08 0.00 0.33 0.00 0.00 56.93 58.34 3gk0 s PHE 140 Cb -0.16 -3.18 -0.01 0.00 -1.31 0.00 0.00 43.02 38.37 3gk0 s PHE 140 CO -0.01 -0.46 0.20 0.96 1.83 0.00 0.00 175.22 177.75 3gk0 s ILE 141 N 3.02 0.12 0.58 3.12 -4.36 0.24 -1.52 121.20 122.40 3gk0 s ILE 141 Ca 0.39 -1.28 -0.17 0.00 -0.26 0.00 0.00 60.65 59.33 3gk0 s ILE 141 Cb -0.15 -1.49 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 3gk0 s ILE 141 CO 0.08 -0.57 1.09 -1.81 0.24 0.00 0.00 174.94 173.97 3gk0 s ASP 142 N -2.90 5.67 -0.99 4.36 1.01 -1.26 -0.44 116.67 122.13 3gk0 s ASP 142 Ca 0.09 2.00 -0.17 0.00 0.71 0.00 0.00 52.55 55.17 3gk0 s ASP 142 Cb 0.05 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.33 3gk0 s ASP 142 CO -0.08 -1.25 2.07 -0.81 0.21 0.00 0.00 175.17 175.32 3gk0 n PRO 143 N -1.74 2.00 -4.24 8.23 -0.04 -1.26 -4.67 135.00 133.28 3gk0 n PRO 143 Ca 0.10 -1.99 -0.27 0.00 -0.04 0.00 0.00 63.50 61.30 3gk0 n PRO 143 Cb 0.52 -2.94 -0.17 0.00 -0.04 0.00 0.00 33.50 30.88 3gk0 n PRO 143 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gk0 s ASP 144 N 4.22 2.24 0.41 3.54 2.15 -1.26 -4.80 116.67 123.18 3gk0 s ASP 144 Ca 0.53 -0.37 0.09 0.00 0.43 0.00 0.00 52.55 53.23 3gk0 s ASP 144 Cb 0.14 -0.96 0.90 0.00 -0.30 0.00 0.00 42.92 42.70 3gk0 s ASP 144 CO 0.04 -0.04 2.03 -0.08 -0.17 0.00 0.00 175.17 176.95 3gk0 h GLU 145 N 7.66 0.51 -0.35 4.34 4.81 -1.98 0.27 114.58 129.84 3gk0 h GLU 145 Ca -0.32 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.73 3gk0 h GLU 145 Cb 1.16 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3gk0 h GLU 145 CO 0.47 0.34 -0.38 0.00 -0.73 0.00 0.00 179.01 178.70 3gk0 h ALA 146 N 1.72 0.65 -0.27 2.92 0.00 -1.96 -0.60 119.26 121.72 3gk0 h ALA 146 Ca 0.21 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 3gk0 h ALA 146 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gk0 h ALA 146 CO -0.05 0.67 -0.43 1.96 0.00 0.00 0.00 179.25 181.40 3gk0 h GLN 147 N 0.69 0.77 -0.60 0.00 1.08 -1.61 -0.72 115.11 114.72 3gk0 h GLN 147 Ca 0.06 -0.46 0.07 0.00 -1.45 0.00 0.00 58.65 56.86 3gk0 h GLN 147 Cb 0.95 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.37 3gk0 h GLN 147 CO 0.09 1.09 0.30 0.82 -0.95 0.00 0.00 178.83 180.18 3gk0 h ILE 148 N 0.52 0.91 -0.08 2.54 2.04 -0.84 0.51 117.51 123.10 3gk0 h ILE 148 Ca 0.02 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3gk0 h ILE 148 Cb 1.03 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3gk0 h ILE 148 CO 0.10 0.10 0.05 0.03 0.00 0.00 0.00 178.15 178.42 3gk0 h ARG 149 N 0.55 0.12 -0.72 2.37 3.08 -0.99 -1.56 114.38 117.23 3gk0 h ARG 149 Ca 0.28 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.33 3gk0 h ARG 149 Cb 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3gk0 h ARG 149 CO -0.21 0.16 0.46 0.00 -1.07 0.00 0.00 179.97 179.31 3gk0 h ALA 150 N 0.96 0.92 -0.46 0.04 0.00 -0.56 -1.06 119.26 119.10 3gk0 h ALA 150 Ca 0.03 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3gk0 h ALA 150 Cb 0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 3gk0 h ALA 150 CO -0.00 0.28 0.06 0.00 0.00 0.00 0.00 179.25 179.58 3gk0 h ALA 151 N 1.29 0.48 -0.80 0.00 0.00 0.28 -1.53 119.26 118.98 3gk0 h ALA 151 Ca 0.28 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3gk0 h ALA 151 Cb -0.04 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3gk0 h ALA 151 CO -0.08 -0.34 0.40 1.25 0.00 0.00 0.00 179.25 180.47 3gk0 h HIS 152 N 0.18 1.12 0.00 0.00 6.17 -0.49 -2.28 115.15 119.84 3gk0 h HIS 152 Ca 0.23 -0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 3gk0 h HIS 152 Cb 0.31 -0.35 -0.00 0.00 2.52 0.00 0.00 27.41 29.89 3gk0 h HIS 152 CO -0.25 0.80 -0.00 0.93 0.71 0.00 0.00 177.93 180.12 3gk0 h GLU 153 N 1.13 0.00 0.00 5.26 5.08 -0.24 -2.61 114.58 123.20 3gk0 h GLU 153 Ca 0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3gk0 h GLU 153 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3gk0 h GLU 153 CO -0.04 0.00 -0.13 1.79 -1.00 0.00 0.00 179.01 179.63 3gk0 h THR 154 N 0.00 0.34 0.00 1.13 1.35 -0.78 -3.46 112.91 111.49 3gk0 h THR 154 Ca -0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3gk0 h THR 154 Cb 0.43 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3gk0 h THR 154 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 3gk0 n GLY 155 N 0.05 0.60 3.72 5.82 0.00 -0.98 -4.70 105.19 109.70 3gk0 n GLY 155 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gk0 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk0 s ALA 156 N -2.34 3.82 -0.42 4.61 0.00 -1.25 -4.91 121.76 121.27 3gk0 s ALA 156 Ca 0.00 1.46 0.24 0.00 0.00 0.00 0.00 51.96 53.67 3gk0 s ALA 156 Cb 0.00 -3.64 0.51 0.00 0.00 0.00 0.00 23.12 19.98 3gk0 s ALA 156 CO 0.00 -0.85 1.67 -1.00 0.00 0.00 0.00 175.76 175.58 3gk0 h PRO 157 N 6.46 0.00 -5.76 0.00 0.13 -1.92 -3.44 132.00 127.47 3gk0 h PRO 157 Ca -0.43 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.19 3gk0 h PRO 157 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 3gk0 h PRO 157 CO 0.91 0.00 -0.81 0.08 -0.23 0.00 0.00 178.00 177.94 3gk0 s VAL 158 N -3.25 1.43 0.08 1.56 1.01 -1.00 -1.99 120.40 118.23 3gk0 s VAL 158 Ca 0.07 -1.28 0.07 0.00 0.00 0.00 0.00 61.98 60.84 3gk0 s VAL 158 Cb 0.06 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3gk0 s VAL 158 CO 0.64 -0.02 -0.20 0.27 0.00 0.00 0.00 175.10 175.80 3gk0 s ILE 159 N -1.02 1.60 -0.17 2.22 -4.36 -0.26 -2.42 121.20 116.78 3gk0 s ILE 159 Ca 0.04 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 3gk0 s ILE 159 Cb -0.09 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.19 3gk0 s ILE 159 CO 0.03 0.02 -0.17 -0.70 0.24 0.00 0.00 174.94 174.35 3gk0 s GLU 160 N -1.59 3.11 0.18 0.37 2.12 -0.24 -0.40 118.70 122.26 3gk0 s GLU 160 Ca 0.06 -0.79 -0.27 0.00 0.36 0.00 0.00 54.97 54.33 3gk0 s GLU 160 Cb -0.09 -2.61 -0.08 0.00 0.26 0.00 0.00 34.13 31.60 3gk0 s GLU 160 CO 0.03 -0.10 0.84 -0.51 -0.54 0.00 0.00 175.26 174.98 3gk0 s LEU 161 N 1.08 4.60 -0.71 2.70 1.43 -0.09 -0.59 118.68 127.10 3gk0 s LEU 161 Ca -0.00 1.75 -0.27 0.00 -1.03 0.00 0.00 54.13 54.58 3gk0 s LEU 161 Cb -0.14 -3.42 0.03 0.00 0.03 0.00 0.00 46.19 42.69 3gk0 s LEU 161 CO -0.06 0.17 1.29 -2.28 0.23 0.00 0.00 176.35 175.70 3gk0 s HIS 162 N -1.04 2.31 -2.04 0.29 5.65 0.42 -4.10 115.29 116.78 3gk0 s HIS 162 Ca 0.38 0.06 0.11 0.00 0.25 0.00 0.00 55.06 55.86 3gk0 s HIS 162 Cb -0.24 -4.59 0.35 0.00 -1.18 0.00 0.00 32.58 26.92 3gk0 s HIS 162 CO 0.28 -2.01 1.28 0.25 -0.65 0.00 0.00 174.74 173.89 3gk0 n THR 163 N 6.46 0.36 0.05 0.89 -2.24 -1.26 -4.43 114.28 114.11 3gk0 n THR 163 Ca 0.05 -0.37 0.02 0.00 -2.27 0.00 0.00 64.05 61.47 3gk0 n THR 163 Cb 0.49 0.21 0.36 0.00 -2.10 0.00 0.00 70.33 69.28 3gk0 n THR 163 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gk0 h GLY 164 N 5.31 0.43 0.79 3.38 0.00 -1.90 0.27 103.07 111.35 3gk0 h GLY 164 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3gk0 h GLY 164 CO 0.00 0.23 -0.28 3.21 0.00 0.00 0.00 176.54 179.70 3gk0 h ARG 165 N 0.39 0.44 -0.39 4.80 3.08 -1.92 0.65 114.38 121.43 3gk0 h ARG 165 Ca 0.09 -0.28 0.07 0.00 0.07 0.00 0.00 59.98 59.92 3gk0 h ARG 165 Cb 0.29 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 3gk0 h ARG 165 CO 0.01 0.89 0.03 -0.92 -1.07 0.00 0.00 179.97 178.91 3gk0 h TYR 166 N 0.05 0.04 -0.65 3.04 5.03 -1.80 -0.92 116.97 121.77 3gk0 h TYR 166 Ca 0.01 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 3gk0 h TYR 166 Cb 0.87 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.16 3gk0 h TYR 166 CO 0.10 -0.04 0.16 0.00 -1.32 0.00 0.00 178.16 177.06 3gk0 h ALA 167 N 1.33 1.06 -0.65 1.82 0.00 -0.34 -3.05 119.26 119.43 3gk0 h ALA 167 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gk0 h ALA 167 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gk0 h ALA 167 CO -0.29 0.62 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 3gk0 n ASP 168 N -4.25 4.23 -4.70 0.00 8.00 0.21 -4.98 116.55 115.06 3gk0 n ASP 168 Ca 0.05 -2.26 -0.43 0.00 0.71 0.00 0.00 54.79 52.86 3gk0 n ASP 168 Cb 0.25 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 3gk0 n ASP 168 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk0 n ALA 169 N 1.25 1.52 0.78 2.24 0.00 -0.37 -4.89 120.51 121.04 3gk0 n ALA 169 Ca 0.24 0.39 0.13 0.00 0.00 0.00 0.00 53.44 54.20 3gk0 n ALA 169 Cb 0.75 -2.31 0.40 0.00 0.00 0.00 0.00 19.45 18.28 3gk0 n ALA 169 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gk0 n HIS 170 N 1.42 0.46 -3.83 0.00 -0.00 -1.26 -4.87 115.22 107.14 3gk0 n HIS 170 Ca 0.08 0.13 -0.06 0.00 -0.00 0.00 0.00 57.72 57.87 3gk0 n HIS 170 Cb 0.34 -0.66 -0.02 0.00 -0.00 0.00 0.00 29.99 29.65 3gk0 n HIS 170 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 3gk0 s ASP 171 N -3.81 -0.25 0.25 0.41 -4.77 -1.26 -5.07 116.67 102.17 3gk0 s ASP 171 Ca 0.11 -0.55 -0.06 0.00 -3.30 0.00 0.00 52.55 48.75 3gk0 s ASP 171 Cb 0.15 0.68 0.26 0.00 -1.09 0.00 0.00 42.92 42.92 3gk0 s ASP 171 CO 0.62 -1.25 1.86 0.00 0.70 0.00 0.00 175.17 177.10 3gk0 h ALA 172 N 2.00 1.19 0.13 2.11 0.00 -1.98 -0.23 119.26 122.48 3gk0 h ALA 172 Ca -0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3gk0 h ALA 172 Cb 1.25 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gk0 h ALA 172 CO 0.24 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 180.07 3gk0 h ALA 173 N 1.30 -0.18 -0.51 0.00 0.00 -1.99 0.04 119.26 117.93 3gk0 h ALA 173 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3gk0 h ALA 173 Cb 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gk0 h ALA 173 CO -0.05 -0.57 0.27 1.49 0.00 0.00 0.00 179.25 180.40 3gk0 h GLU 174 N -0.23 0.71 -0.78 0.00 4.81 -1.92 -2.01 114.58 115.15 3gk0 h GLU 174 Ca -0.02 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3gk0 h GLU 174 Cb 0.18 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3gk0 h GLU 174 CO 0.03 0.55 0.51 0.37 -0.73 0.00 0.00 179.01 179.75 3gk0 h GLN 175 N 0.67 1.03 -0.31 1.92 4.15 -0.93 -1.59 115.11 120.05 3gk0 h GLN 175 Ca 0.18 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 3gk0 h GLN 175 Cb 0.06 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.51 3gk0 h GLN 175 CO -0.03 0.68 -0.33 0.37 -1.93 0.00 0.00 178.83 177.59 3gk0 h GLN 176 N 1.06 0.78 -0.52 1.69 4.15 -0.60 -0.47 115.11 121.20 3gk0 h GLN 176 Ca 0.28 -0.42 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 3gk0 h GLN 176 Cb -0.12 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3gk0 h GLN 176 CO -0.06 1.05 0.22 0.00 -1.93 0.00 0.00 178.83 178.10 3gk0 h ARG 177 N 0.54 0.77 -0.18 1.69 3.08 -1.17 -0.62 114.38 118.50 3gk0 h ARG 177 Ca 0.05 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3gk0 h ARG 177 Cb 0.91 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3gk0 h ARG 177 CO 0.08 0.66 -0.24 0.93 -1.07 0.00 0.00 179.97 180.34 3gk0 h GLU 178 N 0.70 0.32 -0.48 0.04 4.39 -1.28 -2.13 114.58 116.13 3gk0 h GLU 178 Ca 0.17 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 3gk0 h GLU 178 Cb 0.17 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3gk0 h GLU 178 CO -0.02 0.55 0.24 0.35 -1.16 0.00 0.00 179.01 178.97 3gk0 h PHE 179 N 0.29 0.69 -0.62 4.33 3.57 -0.64 -2.69 116.94 121.88 3gk0 h PHE 179 Ca 0.05 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3gk0 h PHE 179 Cb 0.59 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3gk0 h PHE 179 CO 0.01 0.54 0.33 0.93 -2.23 0.00 0.00 178.31 177.90 3gk0 h GLU 180 N 0.64 0.85 -0.79 1.11 5.08 -0.64 -0.44 114.58 120.39 3gk0 h GLU 180 Ca 0.17 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3gk0 h GLU 180 Cb 0.11 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3gk0 h GLU 180 CO -0.02 0.63 0.37 0.00 -1.00 0.00 0.00 179.01 178.99 3gk0 h ARG 181 N 0.86 1.13 -0.03 2.33 3.08 -1.26 -0.05 114.38 120.44 3gk0 h ARG 181 Ca 0.22 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3gk0 h ARG 181 Cb 0.03 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3gk0 h ARG 181 CO -0.04 0.88 -0.03 0.82 -1.07 0.00 0.00 179.97 180.54 3gk0 h ILE 182 N 1.11 1.37 -0.57 2.04 1.08 -1.03 -0.86 117.51 120.65 3gk0 h ILE 182 Ca 0.27 -1.13 0.11 0.00 -0.39 0.00 0.00 64.86 63.72 3gk0 h ILE 182 Cb 0.13 2.06 -0.09 0.00 -3.07 0.00 0.00 36.82 35.85 3gk0 h ILE 182 CO -0.03 0.30 0.04 0.00 -0.69 0.00 0.00 178.15 177.77 3gk0 h ALA 183 N 0.55 0.59 -0.54 1.87 0.00 -1.04 0.19 119.26 120.88 3gk0 h ALA 183 Ca 0.01 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3gk0 h ALA 183 Cb 0.51 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3gk0 h ALA 183 CO 0.01 -0.37 0.07 1.15 0.00 0.00 0.00 179.25 180.11 3gk0 h THR 184 N 0.16 1.26 -0.60 0.00 2.02 -0.97 -1.75 112.91 113.03 3gk0 h THR 184 Ca 0.30 -0.99 0.03 0.00 0.77 0.00 0.00 66.41 66.51 3gk0 h THR 184 Cb 0.46 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3gk0 h THR 184 CO -0.45 0.36 0.37 1.23 0.37 0.00 0.00 175.52 177.40 3gk0 h GLY 185 N 0.79 0.86 0.79 2.16 0.00 -0.59 0.07 103.07 107.15 3gk0 h GLY 185 Ca 0.16 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3gk0 h GLY 185 CO 0.01 0.24 0.01 -2.08 0.00 0.00 0.00 176.54 174.73 3gk0 h VAL 186 N 0.73 0.91 -0.42 4.60 2.07 -0.40 0.12 116.25 123.86 3gk0 h VAL 186 Ca 0.24 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3gk0 h VAL 186 Cb 0.01 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3gk0 h VAL 186 CO -0.10 0.01 0.18 0.44 0.02 0.00 0.00 177.57 178.12 3gk0 h ASP 187 N 0.07 0.23 -0.34 0.57 3.32 -1.02 -1.05 116.42 118.19 3gk0 h ASP 187 Ca 0.07 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3gk0 h ASP 187 Cb 0.08 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3gk0 h ASP 187 CO -0.11 0.17 0.22 0.00 -1.72 0.00 0.00 179.24 177.80 3gk0 h ALA 188 N 1.25 0.43 -0.47 3.45 0.00 -0.72 -0.74 119.26 122.46 3gk0 h ALA 188 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3gk0 h ALA 188 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gk0 h ALA 188 CO -0.17 -0.12 -0.07 0.78 0.00 0.00 0.00 179.25 179.68 3gk0 h GLY 189 N 0.45 0.95 2.00 0.00 0.00 -0.76 -2.91 103.07 102.81 3gk0 h GLY 189 Ca 0.13 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 3gk0 h GLY 189 CO -0.04 0.69 -0.33 -2.22 0.00 0.00 0.00 176.54 174.64 3gk0 h ILE 190 N 0.73 1.07 0.00 2.60 2.04 -1.11 -0.43 117.51 122.40 3gk0 h ILE 190 Ca 0.13 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3gk0 h ILE 190 Cb 0.60 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3gk0 h ILE 190 CO 0.04 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.51 3gk0 h ALA 191 N 1.67 1.00 -0.02 1.87 0.00 -0.93 -2.68 119.26 120.17 3gk0 h ALA 191 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gk0 h ALA 191 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gk0 h ALA 191 CO 0.04 0.00 -0.17 1.28 0.00 0.00 0.00 179.25 180.40 3gk0 n LEU 192 N -3.03 2.62 0.00 0.00 4.77 -0.97 -4.97 117.00 115.42 3gk0 n LEU 192 Ca 0.00 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3gk0 n LEU 192 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3gk0 n LEU 192 CO 0.25 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3gk0 n GLY 193 N 1.36 0.83 3.82 -0.72 0.00 -1.01 -5.07 105.19 104.39 3gk0 n GLY 193 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3gk0 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gk0 s LEU 194 N 0.00 4.18 0.14 0.99 1.43 -0.21 -4.99 118.68 120.23 3gk0 s LEU 194 Ca 0.00 1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 54.37 3gk0 s LEU 194 Cb 0.00 -4.05 -0.07 0.00 0.03 0.00 0.00 46.19 42.10 3gk0 s LEU 194 CO 0.00 -0.15 0.91 -0.54 0.23 0.00 0.00 176.35 176.81 3gk0 s LYS 195 N -2.53 4.71 -0.11 1.70 3.01 -0.84 -4.05 119.74 121.63 3gk0 s LYS 195 Ca 0.52 1.38 0.04 0.00 -1.01 0.00 0.00 55.97 56.90 3gk0 s LYS 195 Cb -0.14 -3.34 0.00 0.00 -1.01 0.00 0.00 37.83 33.35 3gk0 s LYS 195 CO 0.19 0.34 -0.23 0.54 0.51 0.00 0.00 175.35 176.71 3gk0 s VAL 196 N -0.45 1.98 0.40 3.17 0.11 -1.26 -1.10 120.40 123.25 3gk0 s VAL 196 Ca 0.43 -0.97 0.08 0.00 -2.93 0.00 0.00 61.98 58.59 3gk0 s VAL 196 Cb -0.24 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 3gk0 s VAL 196 CO 0.29 0.54 0.21 0.20 -3.33 0.00 0.00 175.10 173.02 3gk0 s ASN 197 N 0.48 4.58 0.19 3.54 0.01 0.46 -1.30 114.94 122.90 3gk0 s ASN 197 Ca -0.16 -0.97 -0.02 0.00 -0.71 0.00 0.00 52.86 50.99 3gk0 s ASN 197 Cb -0.17 -0.53 0.01 0.00 0.41 0.00 0.00 41.25 40.97 3gk0 s ASN 197 CO 0.06 -0.53 0.29 0.00 -1.51 0.00 0.00 177.10 175.41 3gk0 n ALA 198 N -1.29 -0.32 0.00 0.60 0.00 -0.73 -0.91 120.51 117.86 3gk0 n ALA 198 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3gk0 n ALA 198 Cb 0.64 0.67 0.00 0.00 0.00 0.00 0.00 19.45 20.76 3gk0 n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk0 n GLY 199 N -0.31 0.62 3.68 0.00 0.00 -1.26 -0.81 105.19 107.11 3gk0 n GLY 199 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3gk0 n GLY 199 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3gk0 n HIS 200 N 0.00 2.48 -0.93 1.61 -0.00 -1.26 -2.04 115.22 115.08 3gk0 n HIS 200 Ca 0.00 -0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.09 3gk0 n HIS 200 Cb 0.00 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.17 3gk0 n HIS 200 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3gk0 n GLY 201 N 4.20 0.73 3.78 1.57 0.00 -1.26 -3.38 105.19 110.83 3gk0 n GLY 201 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3gk0 n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gk0 s LEU 202 N 0.00 4.08 0.00 0.99 1.43 -0.87 -4.81 118.68 119.51 3gk0 s LEU 202 Ca 0.00 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3gk0 s LEU 202 Cb 0.00 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.97 3gk0 s LEU 202 CO 0.00 -0.55 0.00 0.00 0.23 0.00 0.00 176.35 176.03 3gk0 n HIS 203 N -0.24 -0.26 0.86 0.29 1.44 -1.26 -4.50 115.22 111.54 3gk0 n HIS 203 Ca 0.06 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.90 3gk0 n HIS 203 Cb 0.50 0.00 0.54 0.00 0.12 0.00 0.00 29.99 31.15 3gk0 n HIS 203 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3gk0 n TYR 204 N 0.00 0.34 0.23 -1.40 4.02 -1.26 -1.92 117.16 117.17 3gk0 n TYR 204 Ca 0.00 0.10 0.03 0.00 -0.01 0.00 0.00 57.90 58.02 3gk0 n TYR 204 Cb 0.00 -0.66 0.02 0.00 -0.02 0.00 0.00 39.34 38.68 3gk0 n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3gk0 n THR 205 N -1.78 0.00 0.13 -0.72 -2.24 -1.26 -4.70 114.28 103.72 3gk0 n THR 205 Ca 0.06 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.36 3gk0 n THR 205 Cb 0.37 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.72 3gk0 n THR 205 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3gk0 n ASN 206 N 0.30 1.08 0.18 3.42 0.23 -1.16 -4.67 115.26 114.63 3gk0 n ASN 206 Ca 0.03 -1.04 0.06 0.00 -0.53 0.00 0.00 54.58 53.10 3gk0 n ASN 206 Cb 0.14 0.16 0.15 0.00 -2.08 0.00 0.00 39.78 38.15 3gk0 n ASN 206 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3gk0 h VAL 207 N 0.52 0.59 -0.13 3.53 3.04 -1.66 -3.37 116.25 118.77 3gk0 h VAL 207 Ca 0.00 -1.70 -0.01 0.00 -1.01 0.00 0.00 66.70 63.98 3gk0 h VAL 207 Cb 0.12 2.19 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 3gk0 h VAL 207 CO 0.00 0.32 0.06 1.56 -1.01 0.00 0.00 177.57 178.50 3gk0 h GLN 208 N 0.00 0.19 -0.81 4.17 7.50 -1.85 0.43 115.11 124.74 3gk0 h GLN 208 Ca -0.00 -0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.13 3gk0 h GLN 208 Cb 1.16 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.62 3gk0 h GLN 208 CO 0.04 0.26 0.54 0.00 -1.50 0.00 0.00 178.83 178.17 3gk0 h ALA 209 N 0.92 1.44 -0.09 3.87 0.00 -1.92 -0.66 119.26 122.83 3gk0 h ALA 209 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3gk0 h ALA 209 Cb 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3gk0 h ALA 209 CO -0.00 0.50 -0.58 0.82 0.00 0.00 0.00 179.25 179.99 3gk0 h ILE 210 N 1.07 1.36 -0.18 0.00 1.08 -1.65 -3.15 117.51 116.04 3gk0 h ILE 210 Ca 0.30 -1.91 0.00 0.00 -0.39 0.00 0.00 64.86 62.87 3gk0 h ILE 210 Cb -0.08 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 3gk0 h ILE 210 CO -0.07 0.57 0.12 0.00 -0.69 0.00 0.00 178.15 178.08 3gk0 h ALA 211 N 0.45 1.87 0.00 1.87 0.00 -0.55 -2.26 119.26 120.64 3gk0 h ALA 211 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gk0 h ALA 211 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gk0 h ALA 211 CO 0.12 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3gk0 h ALA 212 N 1.89 1.00 -2.02 0.00 0.00 -1.08 -3.36 119.26 115.68 3gk0 h ALA 212 Ca 0.07 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.41 3gk0 h ALA 212 Cb -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gk0 h ALA 212 CO -0.01 0.00 1.01 -0.51 0.00 0.00 0.00 179.25 179.73 3gk0 s LEU 213 N -5.36 3.95 0.52 0.00 1.43 -0.85 -4.86 118.68 113.51 3gk0 s LEU 213 Ca 0.02 1.44 0.19 0.00 -1.03 0.00 0.00 54.13 54.74 3gk0 s LEU 213 Cb 0.09 -3.54 1.33 0.00 0.03 0.00 0.00 46.19 44.10 3gk0 s LEU 213 CO 0.45 -1.07 2.14 -0.65 0.23 0.00 0.00 176.35 177.45 3gk0 h PRO 214 N 9.51 0.00 0.00 1.29 0.11 -1.88 -2.81 132.00 138.21 3gk0 h PRO 214 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gk0 h PRO 214 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gk0 h PRO 214 CO 1.01 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 3gk0 n GLY 215 N -1.37 -1.58 3.67 -0.55 0.00 -1.26 -4.77 105.19 99.33 3gk0 n GLY 215 Ca -0.03 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3gk0 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gk0 s ILE 216 N -3.16 4.30 -0.02 -0.61 1.01 -1.06 -4.38 121.20 117.28 3gk0 s ILE 216 Ca 0.09 1.59 -0.13 0.00 0.00 0.00 0.00 60.65 62.19 3gk0 s ILE 216 Cb 0.11 -4.02 -0.33 0.00 0.01 0.00 0.00 42.46 38.23 3gk0 s ILE 216 CO 0.54 -0.11 0.81 0.00 0.00 0.00 0.00 174.94 176.18 3gk0 h ALA 217 N 8.00 0.01 -2.68 9.38 0.00 -1.50 -3.46 119.26 129.01 3gk0 h ALA 217 Ca -0.28 -1.02 -0.11 0.00 0.00 0.00 0.00 54.91 53.50 3gk0 h ALA 217 Cb 1.11 0.34 -0.24 0.00 0.00 0.00 0.00 17.79 19.00 3gk0 h ALA 217 CO 0.95 0.87 -0.21 -2.00 0.00 0.00 0.00 179.25 178.86 3gk0 s GLU 218 N -2.59 0.51 -0.21 0.00 2.12 -1.26 -1.94 118.70 115.33 3gk0 s GLU 218 Ca -0.13 0.61 -0.05 0.00 0.36 0.00 0.00 54.97 55.76 3gk0 s GLU 218 Cb 0.05 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 3gk0 s GLU 218 CO 0.90 -0.06 -0.01 -0.51 -0.54 0.00 0.00 175.26 175.03 3gk0 s LEU 219 N 0.25 3.11 -0.46 2.70 1.43 -0.01 -1.77 118.68 123.94 3gk0 s LEU 219 Ca -0.00 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 3gk0 s LEU 219 Cb -0.03 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.48 3gk0 s LEU 219 CO 0.00 0.02 0.35 0.20 0.23 0.00 0.00 176.35 177.15 3gk0 s ASN 220 N 1.23 5.91 -0.04 2.29 0.01 0.01 -0.46 114.94 123.89 3gk0 s ASN 220 Ca 0.03 -1.47 0.06 0.00 -0.71 0.00 0.00 52.86 50.77 3gk0 s ASN 220 Cb -0.15 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 3gk0 s ASN 220 CO 0.00 -0.62 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.11 3gk0 s ILE 221 N 1.53 1.88 0.00 0.60 1.01 0.32 -4.06 121.20 122.48 3gk0 s ILE 221 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3gk0 s ILE 221 Cb -0.24 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3gk0 s ILE 221 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3gk0 n GLY 222 N 2.81 0.44 0.36 6.18 0.00 -1.26 -0.90 105.19 112.82 3gk0 n GLY 222 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 3gk0 n GLY 222 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3gk0 h HIS 223 N 0.00 1.15 -0.57 1.61 -0.00 -1.91 -1.75 115.15 113.67 3gk0 h HIS 223 Ca 0.00 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 3gk0 h HIS 223 Cb 0.00 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.01 3gk0 h HIS 223 CO 0.00 0.55 0.38 0.00 -0.00 0.00 0.00 177.93 178.86 3gk0 h ALA 224 N 1.47 1.73 -0.20 5.26 0.00 -1.92 0.97 119.26 126.56 3gk0 h ALA 224 Ca 0.44 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.15 3gk0 h ALA 224 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gk0 h ALA 224 CO -0.20 0.21 -0.55 0.82 0.00 0.00 0.00 179.25 179.52 3gk0 h ILE 225 N 0.65 1.30 -0.28 0.00 2.04 -1.65 -2.23 117.51 117.33 3gk0 h ILE 225 Ca 0.23 -1.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 3gk0 h ILE 225 Cb 0.12 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3gk0 h ILE 225 CO -0.06 0.56 -0.02 0.58 0.00 0.00 0.00 178.15 179.20 3gk0 h VAL 226 N 0.45 1.27 -0.87 1.67 2.07 -1.27 0.12 116.25 119.69 3gk0 h VAL 226 Ca -0.01 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.53 3gk0 h VAL 226 Cb 1.17 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 3gk0 h VAL 226 CO 0.12 0.32 0.57 0.00 0.02 0.00 0.00 177.57 178.60 3gk0 h ALA 227 N 0.81 1.10 -0.29 1.67 0.00 -0.86 -2.05 119.26 119.64 3gk0 h ALA 227 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3gk0 h ALA 227 Cb 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gk0 h ALA 227 CO 0.02 0.51 -0.18 1.25 0.00 0.00 0.00 179.25 180.85 3gk0 h HIS 228 N 1.18 0.74 -0.52 0.00 6.17 -1.32 -3.27 115.15 118.13 3gk0 h HIS 228 Ca 0.32 -0.20 0.07 0.00 0.71 0.00 0.00 60.37 61.27 3gk0 h HIS 228 Cb -0.13 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 29.60 3gk0 h HIS 228 CO -0.01 0.89 0.35 0.00 0.71 0.00 0.00 177.93 179.87 3gk0 h ALA 229 N 0.73 1.93 -0.84 5.26 0.00 -0.33 -1.15 119.26 124.87 3gk0 h ALA 229 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3gk0 h ALA 229 Cb 0.72 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3gk0 h ALA 229 CO 0.05 -0.03 0.55 -0.39 0.00 0.00 0.00 179.25 179.43 3gk0 h VAL 230 N 0.43 1.04 0.00 0.00 -1.51 -1.43 0.73 116.25 115.51 3gk0 h VAL 230 Ca 0.23 -0.31 -0.27 0.00 -1.23 0.00 0.00 66.70 65.11 3gk0 h VAL 230 Cb 0.35 0.04 -0.05 0.00 -2.13 0.00 0.00 31.29 29.51 3gk0 h VAL 230 CO -0.06 0.17 -1.57 -0.26 -1.23 0.00 0.00 177.57 174.61 3gk0 h PHE 231 N 0.92 0.00 0.00 5.19 0.04 -1.54 -3.41 116.94 118.14 3gk0 h PHE 231 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 3gk0 h PHE 231 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3gk0 h PHE 231 CO -0.00 0.98 -1.31 0.28 -0.60 0.00 0.00 178.31 177.66 3gk0 n VAL 232 N -3.09 0.00 0.00 -0.55 0.31 -0.51 -5.11 118.33 109.39 3gk0 n VAL 232 Ca -0.14 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3gk0 n VAL 232 Cb 1.02 0.37 0.00 0.00 -0.91 0.00 0.00 33.84 34.32 3gk0 n VAL 232 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gk0 n GLY 233 N 1.90 -0.26 0.09 2.92 0.00 0.25 -4.65 105.19 105.43 3gk0 n GLY 233 Ca -0.01 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 3gk0 n GLY 233 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3gk0 h TRP 234 N 0.00 0.04 -0.13 1.61 2.91 -1.93 -1.60 115.95 116.85 3gk0 h TRP 234 Ca 0.00 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.06 3gk0 h TRP 234 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 3gk0 h TRP 234 CO 0.00 0.01 -0.07 0.22 -1.03 0.00 0.00 178.44 177.57 3gk0 h ASP 235 N 0.08 -0.24 -0.82 2.65 3.58 -1.91 -1.58 116.42 118.19 3gk0 h ASP 235 Ca 0.06 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.60 3gk0 h ASP 235 Cb 0.06 0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.19 3gk0 h ASP 235 CO -0.09 -0.10 0.52 0.78 -2.88 0.00 0.00 179.24 177.48 3gk0 h ASN 236 N -0.07 0.87 -0.36 2.28 2.35 -1.78 -1.74 115.58 117.13 3gk0 h ASN 236 Ca 0.08 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3gk0 h ASN 236 Cb 0.18 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3gk0 h ASN 236 CO -0.17 0.60 -0.14 0.00 -1.65 0.00 0.00 177.43 176.06 3gk0 h ALA 237 N 1.34 0.92 0.01 -0.83 0.00 -0.61 -0.30 119.26 119.79 3gk0 h ALA 237 Ca 0.33 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gk0 h ALA 237 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gk0 h ALA 237 CO -0.12 0.62 -0.01 0.28 0.00 0.00 0.00 179.25 180.03 3gk0 h VAL 238 N 0.73 1.44 -0.75 0.00 2.07 -1.15 -2.57 116.25 116.02 3gk0 h VAL 238 Ca 0.12 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3gk0 h VAL 238 Cb 0.65 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.79 3gk0 h VAL 238 CO 0.05 0.37 0.49 -0.09 0.02 0.00 0.00 177.57 178.40 3gk0 h ARG 239 N -0.64 1.00 -0.52 1.57 2.43 -1.26 -1.51 114.38 115.45 3gk0 h ARG 239 Ca -0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3gk0 h ARG 239 Cb 0.62 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 3gk0 h ARG 239 CO 0.00 0.68 0.24 1.49 -1.51 0.00 0.00 179.97 180.88 3gk0 h GLU 240 N 1.03 0.75 -0.58 0.20 4.81 -1.09 -0.57 114.58 119.13 3gk0 h GLU 240 Ca 0.27 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3gk0 h GLU 240 Cb -0.09 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 3gk0 h GLU 240 CO -0.06 0.63 0.32 1.98 -0.73 0.00 0.00 179.01 181.16 3gk0 h MET 241 N 0.70 0.80 -0.27 1.92 4.05 -1.17 -1.56 114.93 119.40 3gk0 h MET 241 Ca 0.18 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3gk0 h MET 241 Cb 0.13 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3gk0 h MET 241 CO -0.02 0.61 0.16 -0.22 0.23 0.00 0.00 176.91 177.67 3gk0 h LYS 242 N 0.78 0.32 -0.24 0.39 1.63 -0.99 -1.72 116.57 116.74 3gk0 h LYS 242 Ca 0.20 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3gk0 h LYS 242 Cb 0.03 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3gk0 h LYS 242 CO -0.03 0.21 0.13 0.00 -3.45 0.00 0.00 179.45 176.31 3gk0 h ALA 243 N 1.11 0.31 -0.54 5.00 0.00 -0.89 -0.51 119.26 123.75 3gk0 h ALA 243 Ca 0.10 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3gk0 h ALA 243 Cb -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3gk0 h ALA 243 CO -0.04 -0.15 0.27 0.82 0.00 0.00 0.00 179.25 180.15 3gk0 h ILE 244 N 0.27 0.94 -0.16 0.00 2.04 -1.23 0.22 117.51 119.60 3gk0 h ILE 244 Ca 0.08 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3gk0 h ILE 244 Cb 0.09 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3gk0 h ILE 244 CO -0.01 0.10 0.09 0.24 0.00 0.00 0.00 178.15 178.57 3gk0 h MET 245 N 0.52 0.22 -0.60 2.37 2.86 -1.00 -1.88 114.93 117.42 3gk0 h MET 245 Ca 0.24 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.79 3gk0 h MET 245 Cb 0.16 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3gk0 h MET 245 CO -0.17 0.19 0.11 0.28 1.06 0.00 0.00 176.91 178.37 3gk0 h VAL 246 N 0.18 1.26 -0.36 -2.22 2.07 -0.84 -1.99 116.25 114.34 3gk0 h VAL 246 Ca 0.06 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.67 3gk0 h VAL 246 Cb 0.03 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3gk0 h VAL 246 CO -0.01 0.36 -0.02 0.00 0.02 0.00 0.00 177.57 177.92 3gk0 h ALA 247 N 1.02 0.31 -0.41 1.67 0.00 -0.40 -1.88 119.26 119.58 3gk0 h ALA 247 Ca 0.18 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3gk0 h ALA 247 Cb 0.41 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3gk0 h ALA 247 CO 0.01 -0.41 0.07 0.00 0.00 0.00 0.00 179.25 178.91 3gk0 h ALA 248 N 1.33 0.54 0.02 0.00 0.00 -1.15 -2.19 119.26 117.81 3gk0 h ALA 248 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gk0 h ALA 248 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gk0 h ALA 248 CO -0.31 0.26 -0.01 -0.09 0.00 0.00 0.00 179.25 179.09 3gk0 h ARG 249 N 0.53 -0.03 -0.46 0.00 9.65 -1.22 -2.23 114.38 120.62 3gk0 h ARG 249 Ca 0.12 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.92 3gk0 h ARG 249 Cb 0.37 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3gk0 h ARG 249 CO 0.01 0.13 -0.04 0.28 2.80 0.00 0.00 179.97 183.15 3gk0 h VAL 250 N -0.19 1.27 -0.04 0.20 2.07 -1.29 -2.36 116.25 115.91 3gk0 h VAL 250 Ca -0.00 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 3gk0 h VAL 250 Cb 0.18 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3gk0 h VAL 250 CO 0.01 0.39 -0.21 0.00 0.02 0.00 0.00 177.57 177.77 3gk0 h ALA 251 N 0.90 1.58 -0.11 1.67 0.00 -1.43 -3.00 119.26 118.87 3gk0 h ALA 251 Ca 0.12 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3gk0 h ALA 251 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gk0 h ALA 251 CO 0.03 0.31 -0.51 0.00 0.00 0.00 0.00 179.25 179.09 3gk0 h ALA 252 N 1.73 0.94 0.00 0.00 0.00 -0.87 -3.51 119.26 117.55 3gk0 h ALA 252 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gk0 h ALA 252 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3gk0 h ALA 252 CO 0.03 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.22