#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 3.19 0.01 0.00 2.07 -1.26 -4.94 121.20 120.27 3gk0 s ILE 11 Ca 0.00 -0.78 -0.01 0.00 -1.41 0.00 0.00 60.65 58.45 3gk0 s ILE 11 Cb 0.00 -2.30 -0.04 0.00 0.13 0.00 0.00 42.46 40.26 3gk0 s ILE 11 CO 0.00 0.52 0.12 -1.81 -1.91 0.00 0.00 174.94 171.85 3gk0 s ASP 12 N -0.98 5.89 -0.25 4.50 1.11 -0.83 -4.93 116.67 121.18 3gk0 s ASP 12 Ca 0.13 0.19 -0.04 0.00 0.18 0.00 0.00 52.55 53.01 3gk0 s ASP 12 Cb -0.11 -1.74 0.01 0.00 1.07 0.00 0.00 42.92 42.15 3gk0 s ASP 12 CO 0.03 0.25 -0.01 -0.22 1.18 0.00 0.00 175.17 176.39 3gk0 s LEU 13 N -1.91 3.23 -0.08 1.23 2.96 -1.26 -1.22 118.68 121.64 3gk0 s LEU 13 Ca 0.26 -0.61 -0.19 0.00 -0.22 0.00 0.00 54.13 53.37 3gk0 s LEU 13 Cb -0.12 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3gk0 s LEU 13 CO 0.17 -0.10 0.51 -0.83 -1.32 0.00 0.00 176.35 174.78 3gk0 s GLY 14 N 1.44 2.47 -0.22 7.98 0.00 -0.38 -1.31 107.32 117.29 3gk0 s GLY 14 Ca 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 3gk0 s GLY 14 CO -0.02 0.71 0.00 0.14 0.00 0.00 0.00 173.10 173.94 3gk0 s VAL 15 N 0.24 3.84 -0.17 1.40 1.01 -0.20 -1.21 120.40 125.32 3gk0 s VAL 15 Ca 0.27 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3gk0 s VAL 15 Cb -0.16 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3gk0 s VAL 15 CO 0.13 0.40 0.34 0.21 0.00 0.00 0.00 175.10 176.17 3gk0 s ASN 16 N 1.36 6.46 -0.05 3.32 3.84 0.27 -0.54 114.94 129.59 3gk0 s ASN 16 Ca 0.04 0.54 0.14 0.00 0.21 0.00 0.00 52.86 53.79 3gk0 s ASN 16 Cb -0.15 -2.20 0.44 0.00 -0.55 0.00 0.00 41.25 38.79 3gk0 s ASN 16 CO 0.01 0.04 1.37 2.30 -2.79 0.00 0.00 177.10 178.03 3gk0 n ILE 17 N 3.79 1.36 -0.20 -5.21 -5.35 -0.61 -4.48 119.36 108.66 3gk0 n ILE 17 Ca -0.10 -1.19 0.00 0.00 -0.27 0.00 0.00 62.75 61.18 3gk0 n ILE 17 Cb 0.52 0.31 0.11 0.00 -1.74 0.00 0.00 39.64 38.83 3gk0 n ILE 17 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3gk0 h ASP 18 N 2.50 0.12 0.81 7.28 3.32 -1.94 -2.45 116.42 126.07 3gk0 h ASP 18 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3gk0 h ASP 18 Cb 0.99 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3gk0 h ASP 18 CO 0.07 0.07 0.00 1.41 -1.72 0.00 0.00 179.24 179.08 3gk0 n HIS 19 N -5.06 0.00 -0.06 4.55 8.25 -1.26 -1.60 115.22 120.05 3gk0 n HIS 19 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 3gk0 n HIS 19 Cb 0.30 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 30.92 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 0.00 1.34 -0.83 1.59 2.07 -1.78 -2.80 116.25 115.84 3gk0 h VAL 20 Ca 0.00 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.24 3gk0 h VAL 20 Cb 0.41 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3gk0 h VAL 20 CO 0.00 0.39 0.53 0.00 0.02 0.00 0.00 177.57 178.51 3gk0 h ALA 21 N 0.62 1.10 -0.40 1.67 0.00 -1.31 -2.20 119.26 118.75 3gk0 h ALA 21 Ca 0.03 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3gk0 h ALA 21 Cb 0.69 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3gk0 h ALA 21 CO 0.04 0.34 -0.16 1.15 0.00 0.00 0.00 179.25 180.63 3gk0 h THR 22 N 1.02 0.49 -0.43 0.00 2.02 -1.28 0.14 112.91 114.87 3gk0 h THR 22 Ca 0.34 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.47 3gk0 h THR 22 Cb 0.04 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3gk0 h THR 22 CO -0.12 0.00 0.09 0.25 0.37 0.00 0.00 175.52 176.10 3gk0 h LEU 23 N -0.08 0.60 -0.16 2.58 5.85 -1.26 -2.89 115.31 119.96 3gk0 h LEU 23 Ca 0.19 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 3gk0 h LEU 23 Cb 0.38 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3gk0 h LEU 23 CO -0.45 0.61 -0.43 -0.09 -0.34 0.00 0.00 178.44 177.74 3gk0 h ARG 24 N 0.63 0.57 0.00 1.25 2.43 -0.58 -3.24 114.38 115.43 3gk0 h ARG 24 Ca 0.14 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3gk0 h ARG 24 Cb 0.26 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3gk0 h ARG 24 CO -0.00 1.02 -0.07 -0.91 -1.51 0.00 0.00 179.97 178.50 3gk0 h ASN 25 N 0.21 0.00 0.10 -3.80 2.35 -0.71 -1.78 115.58 111.96 3gk0 h ASN 25 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3gk0 h ASN 25 Cb 1.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 3gk0 h ASN 25 CO 0.09 0.07 -0.09 0.00 -1.65 0.00 0.00 177.43 175.85 3gk0 h ALA 26 N 1.93 1.79 0.00 -0.83 0.00 -1.53 -3.30 119.26 117.32 3gk0 h ALA 26 Ca -0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 3gk0 h ALA 26 Cb 0.43 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3gk0 h ALA 26 CO 0.01 0.11 -2.02 -2.13 0.00 0.00 0.00 179.25 175.22 3gk0 n ARG 27 N -4.35 0.44 0.00 0.00 3.00 -1.02 -5.04 116.66 109.69 3gk0 n ARG 27 Ca -0.03 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 3gk0 n ARG 27 Cb 0.17 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.31 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 2.49 0.98 0.95 5.14 0.00 -0.70 -5.10 105.19 108.96 3gk0 n GLY 28 Ca -0.33 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.90 0.00 0.86 2.61 -2.24 -1.26 -5.00 114.28 107.35 3gk0 n THR 29 Ca 0.00 -0.42 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 3gk0 n THR 29 Cb 0.00 -1.12 0.54 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.93 2.23 -2.47 6.98 0.00 -1.26 -4.81 120.51 118.25 3gk0 n ALA 30 Ca -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 3gk0 n ALA 30 Cb 0.15 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.04 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 -3.03 2.51 0.49 0.00 1.51 -1.26 -3.44 117.35 114.13 3gk0 s TYR 31 Ca 0.12 -0.28 -0.21 0.00 -1.01 0.00 0.00 57.07 55.69 3gk0 s TYR 31 Cb 0.16 -1.35 -0.07 0.00 -0.11 0.00 0.00 41.96 40.59 3gk0 s TYR 31 CO 0.51 0.36 1.12 -1.25 -1.11 0.00 0.00 175.55 175.18 3gk0 s PRO 32 N -2.02 3.63 -0.27 -1.71 0.04 -1.26 -4.38 135.00 129.03 3gk0 s PRO 32 Ca 0.17 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.63 3gk0 s PRO 32 Cb -0.10 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 3gk0 s PRO 32 CO 0.09 -0.63 0.64 0.34 0.04 0.00 0.00 177.00 177.48 3gk0 s ASP 33 N -1.64 6.56 0.22 6.66 2.15 -1.22 -4.58 116.67 124.82 3gk0 s ASP 33 Ca 0.68 0.61 -0.07 0.00 0.43 0.00 0.00 52.55 54.20 3gk0 s ASP 33 Cb -0.24 -2.34 0.19 0.00 -0.30 0.00 0.00 42.92 40.22 3gk0 s ASP 33 CO 0.29 -0.42 1.83 -0.65 -0.17 0.00 0.00 175.17 176.04 3gk0 h PRO 34 N 8.01 1.23 -0.66 4.34 0.11 -1.88 -1.98 132.00 141.16 3gk0 h PRO 34 Ca -0.27 -0.17 0.05 0.00 0.11 0.00 0.00 66.00 65.72 3gk0 h PRO 34 Cb 1.12 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 3gk0 h PRO 34 CO 0.79 0.93 0.39 0.28 -0.21 0.00 0.00 178.00 180.18 3gk0 h VAL 35 N 1.22 1.02 -0.58 3.15 2.07 -1.92 -0.09 116.25 121.12 3gk0 h VAL 35 Ca 0.30 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 3gk0 h VAL 35 Cb 0.10 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3gk0 h VAL 35 CO -0.04 0.13 0.18 -0.09 0.02 0.00 0.00 177.57 177.78 3gk0 h ARG 36 N 0.73 0.89 -0.43 1.57 2.43 -1.91 -2.39 114.38 115.28 3gk0 h ARG 36 Ca 0.28 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3gk0 h ARG 36 Cb 0.12 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3gk0 h ARG 36 CO -0.15 0.80 0.23 0.00 -1.51 0.00 0.00 179.97 179.34 3gk0 h ALA 37 N 1.05 0.54 -0.28 2.80 0.00 -0.71 0.32 119.26 122.98 3gk0 h ALA 37 Ca 0.19 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3gk0 h ALA 37 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3gk0 h ALA 37 CO -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 179.25 179.20 3gk0 h ALA 38 N 1.22 0.30 -0.56 0.00 0.00 -0.86 -0.11 119.26 119.24 3gk0 h ALA 38 Ca 0.18 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3gk0 h ALA 38 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gk0 h ALA 38 CO -0.11 -0.34 -0.09 -0.07 0.00 0.00 0.00 179.25 178.64 3gk0 h LEU 39 N 0.18 1.05 -0.69 0.00 3.38 -1.08 -2.32 115.31 115.83 3gk0 h LEU 39 Ca 0.12 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 3gk0 h LEU 39 Cb 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3gk0 h LEU 39 CO -0.15 1.15 -0.54 0.00 0.09 0.00 0.00 178.44 178.99 3gk0 h ALA 40 N 0.94 0.88 -0.67 1.53 0.00 -0.72 -2.80 119.26 118.43 3gk0 h ALA 40 Ca 0.15 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.57 3gk0 h ALA 40 Cb 0.66 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3gk0 h ALA 40 CO 0.05 0.69 0.43 0.00 0.00 0.00 0.00 179.25 180.41 3gk0 h ALA 41 N 1.18 0.86 -0.91 0.00 0.00 -0.78 -2.07 119.26 117.53 3gk0 h ALA 41 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gk0 h ALA 41 Cb 1.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3gk0 h ALA 41 CO 0.09 0.23 0.56 0.93 0.00 0.00 0.00 179.25 181.06 3gk0 h GLU 42 N 0.86 1.23 0.00 0.00 5.08 -1.17 -1.11 114.58 119.48 3gk0 h GLU 42 Ca 0.26 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3gk0 h GLU 42 Cb -0.05 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 3gk0 h GLU 42 CO -0.08 0.86 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.32 3gk0 h ASP 43 N 1.26 0.00 -0.02 1.42 3.32 -1.27 -2.84 116.42 118.29 3gk0 h ASP 43 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3gk0 h ASP 43 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3gk0 h ASP 43 CO -0.06 0.03 -0.00 0.00 -1.72 0.00 0.00 179.24 177.49 3gk0 n ALA 44 N -2.11 2.56 0.00 3.45 0.00 -0.76 -4.93 120.51 118.73 3gk0 n ALA 44 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3gk0 n ALA 44 Cb 0.35 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.20 1.17 3.77 0.00 0.00 -1.06 -3.74 105.19 106.52 3gk0 n GLY 45 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3gk0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk0 s ALA 46 N -2.00 3.44 -0.14 4.61 0.00 -0.50 -4.83 121.76 122.34 3gk0 s ALA 46 Ca 0.00 1.16 0.22 0.00 0.00 0.00 0.00 51.96 53.33 3gk0 s ALA 46 Cb 0.00 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.52 3gk0 s ALA 46 CO 0.00 -0.54 0.77 -0.25 0.00 0.00 0.00 175.76 175.74 3gk0 n ASP 47 N 0.79 0.47 -3.78 0.00 8.00 -0.43 -4.57 116.55 117.03 3gk0 n ASP 47 Ca 0.00 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 3gk0 n ASP 47 Cb 0.43 1.09 -0.08 0.00 -0.02 0.00 0.00 41.12 42.54 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 -3.38 -0.64 -0.18 2.24 0.00 -1.00 -3.60 121.76 115.22 3gk0 s ALA 48 Ca -0.04 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 3gk0 s ALA 48 Cb 0.11 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3gk0 s ALA 48 CO 0.84 -0.35 -0.03 0.42 0.00 0.00 0.00 175.76 176.64 3gk0 s ILE 49 N -2.16 3.78 -0.09 0.00 -1.09 0.00 -1.03 121.20 120.61 3gk0 s ILE 49 Ca -0.08 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 3gk0 s ILE 49 Cb -0.02 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.16 3gk0 s ILE 49 CO -0.01 0.46 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.15 3gk0 s THR 50 N 0.71 3.16 -0.07 2.92 2.01 0.30 -0.10 115.64 124.56 3gk0 s THR 50 Ca -0.02 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 3gk0 s THR 50 Cb -0.14 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3gk0 s THR 50 CO 0.02 0.55 0.18 -1.48 -0.69 0.00 0.00 174.62 173.21 3gk0 s LEU 51 N -0.17 1.20 -0.41 4.42 2.34 -0.89 -1.57 118.68 123.60 3gk0 s LEU 51 Ca 0.00 0.37 -0.12 0.00 0.06 0.00 0.00 54.13 54.44 3gk0 s LEU 51 Cb -0.13 0.60 0.05 0.00 -0.56 0.00 0.00 46.19 46.14 3gk0 s LEU 51 CO 0.03 -0.08 0.27 -2.28 -1.06 0.00 0.00 176.35 173.23 3gk0 s HIS 52 N 0.28 3.27 -0.70 3.48 5.65 -1.26 -0.57 115.29 125.44 3gk0 s HIS 52 Ca -0.02 -1.04 -0.23 0.00 0.25 0.00 0.00 55.06 54.02 3gk0 s HIS 52 Cb -0.03 -2.71 0.07 0.00 -1.18 0.00 0.00 32.58 28.72 3gk0 s HIS 52 CO -0.01 -0.72 1.05 -1.17 -0.65 0.00 0.00 174.74 173.24 3gk0 s LEU 53 N 1.56 4.16 0.57 8.88 0.20 -1.04 -4.33 118.68 128.67 3gk0 s LEU 53 Ca 0.03 -0.96 -0.14 0.00 0.69 0.00 0.00 54.13 53.75 3gk0 s LEU 53 Cb -0.21 -2.45 -0.06 0.00 -0.43 0.00 0.00 46.19 43.04 3gk0 s LEU 53 CO 0.06 -1.50 1.01 -0.13 -0.29 0.00 0.00 176.35 175.50 3gk0 s ARG 54 N 4.34 3.73 0.37 1.98 0.52 -1.26 -4.69 118.95 123.94 3gk0 s ARG 54 Ca 0.26 0.89 0.08 0.00 -0.52 0.00 0.00 55.73 56.43 3gk0 s ARG 54 Cb -0.14 -2.10 0.73 0.00 0.52 0.00 0.00 34.95 33.95 3gk0 s ARG 54 CO 0.09 -0.46 1.90 1.49 0.02 0.00 0.00 175.30 178.34 3gk0 h GLU 55 N 0.32 0.31 -0.02 3.54 4.81 -1.97 -2.04 114.58 119.53 3gk0 h GLU 55 Ca -0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3gk0 h GLU 55 Cb 1.19 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3gk0 h GLU 55 CO 0.61 0.43 0.00 -0.40 -0.73 0.00 0.00 179.01 178.92 3gk0 n ASP 56 N -4.27 1.07 -3.91 1.04 5.68 -1.26 -4.96 116.55 109.93 3gk0 n ASP 56 Ca -0.00 -1.39 -0.27 0.00 -0.50 0.00 0.00 54.79 52.63 3gk0 n ASP 56 Cb 0.27 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.16 -4.32 -0.01 0.11 5.12 -0.77 -4.90 116.66 111.74 3gk0 n ARG 57 Ca 0.20 0.51 -0.10 0.00 -1.93 0.00 0.00 57.85 56.53 3gk0 n ARG 57 Cb 0.28 -5.05 0.05 0.00 -1.16 0.00 0.00 32.46 26.58 3gk0 n ARG 57 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3gk0 h ARG 58 N -1.86 0.58 0.00 5.56 2.43 -1.93 -3.44 114.38 115.72 3gk0 h ARG 58 Ca -0.61 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.21 3gk0 h ARG 58 Cb 1.37 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3gk0 h ARG 58 CO 0.64 0.97 0.00 -2.39 -1.51 0.00 0.00 179.97 177.68 3gk0 n HIS 59 N -3.97 0.00 -2.05 2.20 1.44 -1.26 -4.89 115.22 106.69 3gk0 n HIS 59 Ca -0.03 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.28 3gk0 n HIS 59 Cb 0.59 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.69 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 -0.14 2.58 0.44 0.61 -1.09 -1.26 -4.73 121.20 117.61 3gk0 s ILE 60 Ca 0.00 0.56 0.05 0.00 -2.23 0.00 0.00 60.65 59.03 3gk0 s ILE 60 Cb 0.00 -3.34 -0.06 0.00 -1.58 0.00 0.00 42.46 37.48 3gk0 s ILE 60 CO 0.00 0.11 0.01 0.68 -1.23 0.00 0.00 174.94 174.51 3gk0 s VAL 61 N -1.19 1.68 0.21 2.92 -7.23 -1.26 -4.52 120.40 111.01 3gk0 s VAL 61 Ca 0.53 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.61 3gk0 s VAL 61 Cb -0.40 -2.71 0.14 0.00 0.56 0.00 0.00 36.38 33.98 3gk0 s VAL 61 CO 0.53 0.00 1.78 0.44 -0.31 0.00 0.00 175.10 177.53 3gk0 h ASP 62 N 1.64 1.03 -0.94 4.85 5.19 -1.97 -2.26 116.42 123.96 3gk0 h ASP 62 Ca -0.44 -0.16 0.06 0.00 -0.62 0.00 0.00 57.03 55.88 3gk0 h ASP 62 Cb 1.27 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 40.45 3gk0 h ASP 62 CO 0.78 0.90 0.61 0.00 -3.12 0.00 0.00 179.24 178.41 3gk0 h ALA 63 N 1.17 1.48 -0.44 3.45 0.00 -1.98 -0.76 119.26 122.17 3gk0 h ALA 63 Ca 0.26 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3gk0 h ALA 63 Cb 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3gk0 h ALA 63 CO -0.03 0.38 0.22 -0.44 0.00 0.00 0.00 179.25 179.39 3gk0 h ASP 64 N 1.08 0.33 -0.24 0.00 3.45 -1.82 0.75 116.42 119.95 3gk0 h ASP 64 Ca 0.40 0.02 -0.15 0.00 0.43 0.00 0.00 57.03 57.74 3gk0 h ASP 64 Cb 0.19 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3gk0 h ASP 64 CO -0.15 0.23 -0.42 0.58 -1.57 0.00 0.00 179.24 177.91 3gk0 h VAL 65 N 0.45 1.31 -0.30 -1.35 2.07 -1.30 -1.72 116.25 115.41 3gk0 h VAL 65 Ca 0.19 -1.63 -0.11 0.00 0.82 0.00 0.00 66.70 65.97 3gk0 h VAL 65 Cb 0.09 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3gk0 h VAL 65 CO -0.13 0.52 -0.24 0.03 0.02 0.00 0.00 177.57 177.77 3gk0 h ARG 66 N 0.44 0.68 -0.04 1.57 3.08 -1.02 -2.06 114.38 117.04 3gk0 h ARG 66 Ca 0.02 -0.34 -0.16 0.00 0.07 0.00 0.00 59.98 59.57 3gk0 h ARG 66 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3gk0 h ARG 66 CO 0.10 0.94 -0.68 1.79 -1.07 0.00 0.00 179.97 181.05 3gk0 h THR 67 N 0.43 1.43 -0.13 2.04 1.35 -0.88 -3.18 112.91 113.96 3gk0 h THR 67 Ca 0.05 -2.19 -0.17 0.00 -0.55 0.00 0.00 66.41 63.56 3gk0 h THR 67 Cb 0.79 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 3gk0 h THR 67 CO 0.06 0.64 -0.63 0.25 -0.25 0.00 0.00 175.52 175.59 3gk0 h LEU 68 N 0.12 0.56 -0.33 3.87 5.85 -1.30 -3.39 115.31 120.70 3gk0 h LEU 68 Ca -0.01 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.43 3gk0 h LEU 68 Cb 1.21 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 3gk0 h LEU 68 CO 0.10 1.05 -0.01 -0.09 -0.34 0.00 0.00 178.44 179.16 3gk0 h ARG 69 N 0.36 0.08 0.00 1.25 9.65 -1.35 -1.03 114.38 123.35 3gk0 h ARG 69 Ca -0.01 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3gk0 h ARG 69 Cb 1.19 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3gk0 h ARG 69 CO 0.11 0.05 0.00 -1.00 2.80 0.00 0.00 179.97 181.94 3gk0 h PRO 70 N 0.08 0.00 0.00 0.20 0.13 -1.75 -3.23 132.00 127.42 3gk0 h PRO 70 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gk0 h PRO 70 Cb 0.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.35 3gk0 h PRO 70 CO -0.28 0.00 -1.53 0.54 -0.23 0.00 0.00 178.00 176.51 3gk0 n ARG 71 N -2.36 0.46 -1.65 0.86 1.74 -0.46 -4.94 116.66 110.31 3gk0 n ARG 71 Ca 0.02 -0.09 -0.49 0.00 -0.77 0.00 0.00 57.85 56.52 3gk0 n ARG 71 Cb 0.26 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 3gk0 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gk0 n VAL 72 N -2.10 0.13 0.15 1.55 0.31 -0.79 -4.91 118.33 112.67 3gk0 n VAL 72 Ca -0.01 -0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.41 3gk0 n VAL 72 Cb 0.50 -1.38 -0.14 0.00 -0.91 0.00 0.00 33.84 31.90 3gk0 n VAL 72 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3gk0 n LYS 73 N 3.90 0.56 0.00 5.55 0.00 -1.26 -4.89 118.16 122.02 3gk0 n LYS 73 Ca 0.19 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 3gk0 n LYS 73 Cb 0.25 -1.55 0.00 0.00 -0.00 0.00 0.00 35.03 33.73 3gk0 n LYS 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3gk0 n THR 74 N -2.19 0.00 -4.16 0.58 -2.24 -1.26 -5.13 114.28 99.88 3gk0 n THR 74 Ca -0.02 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 3gk0 n THR 74 Cb 0.53 0.00 -0.15 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 1.26 0.54 -0.12 -0.78 0.52 -1.24 -5.04 118.95 114.09 3gk0 s ARG 75 Ca 0.00 -0.15 -0.15 0.00 -0.52 0.00 0.00 55.73 54.91 3gk0 s ARG 75 Cb 0.00 -0.55 -0.05 0.00 0.52 0.00 0.00 34.95 34.88 3gk0 s ARG 75 CO 0.00 0.05 0.35 1.41 0.02 0.00 0.00 175.30 177.13 3gk0 s MET 76 N 0.23 4.19 -0.32 3.54 -2.45 -1.26 -0.82 119.30 122.41 3gk0 s MET 76 Ca -0.03 0.23 0.02 0.00 -1.25 0.00 0.00 55.69 54.66 3gk0 s MET 76 Cb -0.06 -3.39 0.08 0.00 1.25 0.00 0.00 34.83 32.71 3gk0 s MET 76 CO -0.00 0.31 0.02 1.21 1.05 0.00 0.00 175.02 177.61 3gk0 s ASN 77 N 0.21 4.76 -0.29 1.11 2.47 0.86 -0.91 114.94 123.15 3gk0 s ASN 77 Ca 0.20 -1.79 -0.20 0.00 0.42 0.00 0.00 52.86 51.49 3gk0 s ASN 77 Cb -0.14 -1.65 -0.01 0.00 -1.45 0.00 0.00 41.25 38.00 3gk0 s ASN 77 CO 0.07 -0.33 0.62 -0.22 -3.72 0.00 0.00 177.10 173.52 3gk0 s LEU 78 N 1.05 4.12 -0.11 3.21 0.20 -0.14 -2.10 118.68 124.90 3gk0 s LEU 78 Ca 0.02 0.49 -0.23 0.00 0.69 0.00 0.00 54.13 55.11 3gk0 s LEU 78 Cb -0.20 -2.82 -0.03 0.00 -0.43 0.00 0.00 46.19 42.71 3gk0 s LEU 78 CO -0.06 -0.45 0.68 -1.61 -0.29 0.00 0.00 176.35 174.63 3gk0 s GLU 79 N 2.57 4.36 0.19 1.98 2.02 0.27 -0.87 118.70 129.22 3gk0 s GLU 79 Ca 0.25 0.80 -0.15 0.00 0.02 0.00 0.00 54.97 55.90 3gk0 s GLU 79 Cb -0.15 -3.49 0.02 0.00 0.10 0.00 0.00 34.13 30.60 3gk0 s GLU 79 CO 0.11 -0.05 0.44 0.00 0.02 0.00 0.00 175.26 175.79 3gk0 s ALA 81 N -3.91 3.38 -1.26 0.00 0.00 -1.26 -1.63 121.76 117.08 3gk0 s ALA 81 Ca 0.12 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 3gk0 s ALA 81 Cb 0.00 -2.62 0.16 0.00 0.00 0.00 0.00 23.12 20.66 3gk0 s ALA 81 CO -0.02 -0.43 1.69 0.28 0.00 0.00 0.00 175.76 177.29 3gk0 n VAL 82 N -2.33 4.24 -3.93 0.00 0.31 -1.26 -4.34 118.33 111.01 3gk0 n VAL 82 Ca 0.01 -4.46 -0.09 0.00 -0.01 0.00 0.00 64.34 59.79 3gk0 n VAL 82 Cb 0.55 -2.42 -0.09 0.00 -0.91 0.00 0.00 33.84 30.97 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 1.27 0.13 0.24 2.52 -4.23 -1.26 -5.05 115.64 109.25 3gk0 s THR 83 Ca 0.42 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 3gk0 s THR 83 Cb 0.04 -0.84 0.20 0.00 1.34 0.00 0.00 72.50 73.25 3gk0 s THR 83 CO 0.00 -0.59 1.76 -0.65 -0.54 0.00 0.00 174.62 174.60 3gk0 h PRO 84 N 3.76 0.54 -0.15 3.99 0.11 -1.99 -2.29 132.00 135.97 3gk0 h PRO 84 Ca -0.32 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.79 3gk0 h PRO 84 Cb 1.19 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3gk0 h PRO 84 CO 0.49 0.36 -0.09 1.49 -0.21 0.00 0.00 178.00 180.04 3gk0 h GLU 85 N 0.56 -0.08 0.02 1.05 4.81 -1.98 0.33 114.58 119.29 3gk0 h GLU 85 Ca 0.39 0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.38 3gk0 h GLU 85 Cb 0.50 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.91 3gk0 h GLU 85 CO -0.33 -0.06 -1.01 0.52 -0.73 0.00 0.00 179.01 177.40 3gk0 h MET 86 N -0.09 0.50 -0.54 1.92 0.00 -1.82 -1.71 114.93 113.20 3gk0 h MET 86 Ca 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 59.70 59.23 3gk0 h MET 86 Cb 0.22 0.17 -0.03 0.00 0.00 0.00 0.00 31.60 31.96 3gk0 h MET 86 CO -0.20 1.20 0.35 -0.07 0.00 0.00 0.00 176.91 178.18 3gk0 h LEU 87 N 0.27 0.63 -0.69 1.22 3.38 -1.19 0.20 115.31 119.14 3gk0 h LEU 87 Ca -0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3gk0 h LEU 87 Cb 1.66 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 3gk0 h LEU 87 CO 0.18 0.48 0.44 0.44 0.09 0.00 0.00 178.44 180.07 3gk0 h ASP 88 N 0.73 0.80 0.21 -0.43 3.32 -0.86 -1.32 116.42 118.88 3gk0 h ASP 88 Ca 0.20 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3gk0 h ASP 88 Cb -0.06 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3gk0 h ASP 88 CO -0.04 0.60 -0.10 0.40 -1.72 0.00 0.00 179.24 178.38 3gk0 h ILE 89 N 0.93 0.80 -0.52 0.35 2.04 -0.65 -2.58 117.51 117.89 3gk0 h ILE 89 Ca 0.25 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.12 3gk0 h ILE 89 Cb -0.08 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3gk0 h ILE 89 CO -0.05 0.02 0.35 0.00 0.00 0.00 0.00 178.15 178.47 3gk0 h ALA 90 N 0.46 2.00 -0.11 1.87 0.00 -0.40 -0.63 119.26 122.45 3gk0 h ALA 90 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3gk0 h ALA 90 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gk0 h ALA 90 CO 0.05 -0.11 -0.33 0.00 0.00 0.00 0.00 179.25 178.86 3gk0 n GLU 92 N -4.10 0.62 0.14 0.00 0.28 -0.38 -3.71 120.64 113.49 3gk0 n GLU 92 Ca -0.01 0.14 0.06 0.00 -0.16 0.00 0.00 57.16 57.19 3gk0 n GLU 92 Cb 0.42 -1.78 0.04 0.00 1.43 0.00 0.00 31.44 31.55 3gk0 n GLU 92 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 3gk0 h ILE 93 N 0.00 0.48 -5.92 3.84 -0.00 -1.16 -3.49 117.51 111.26 3gk0 h ILE 93 Ca -0.10 -1.72 -0.37 0.00 -0.00 0.00 0.00 64.86 62.66 3gk0 h ILE 93 Cb 1.34 2.14 0.11 0.00 -0.00 0.00 0.00 36.82 40.41 3gk0 h ILE 93 CO 0.02 0.27 -0.85 0.54 -0.00 0.00 0.00 178.15 178.13 3gk0 n ARG 94 N -3.07 -3.83 -1.04 0.16 5.12 -0.08 -4.95 116.66 108.98 3gk0 n ARG 94 Ca 0.00 0.67 -0.32 0.00 -1.93 0.00 0.00 57.85 56.28 3gk0 n ARG 94 Cb 0.68 -5.20 0.13 0.00 -1.16 0.00 0.00 32.46 26.90 3gk0 n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3gk0 s PRO 95 N -5.56 1.67 0.14 5.56 0.04 -1.26 -4.91 135.00 130.69 3gk0 s PRO 95 Ca 0.19 1.45 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 3gk0 s PRO 95 Cb -0.05 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 3gk0 s PRO 95 CO 0.80 -2.13 1.80 0.45 0.04 0.00 0.00 177.00 177.96 3gk0 h HIS 96 N -1.31 0.41 -3.97 0.56 3.86 -1.89 -3.42 115.15 109.39 3gk0 h HIS 96 Ca -0.44 0.01 -0.64 0.00 -1.16 0.00 0.00 60.37 58.14 3gk0 h HIS 96 Cb 1.26 -0.14 -0.23 0.00 1.06 0.00 0.00 27.41 29.37 3gk0 h HIS 96 CO 0.53 0.25 -0.86 -0.51 0.86 0.00 0.00 177.93 178.20 3gk0 s ASP 97 N -5.49 3.02 0.01 2.45 1.01 -0.09 -1.87 116.67 115.72 3gk0 s ASP 97 Ca -0.13 -0.70 0.03 0.00 0.71 0.00 0.00 52.55 52.46 3gk0 s ASP 97 Cb 0.10 -0.20 -0.01 0.00 1.01 0.00 0.00 42.92 43.82 3gk0 s ASP 97 CO 0.71 0.15 -0.10 0.00 0.21 0.00 0.00 175.17 176.15 3gk0 s ALA 98 N -1.05 0.80 -0.21 5.23 0.00 -0.73 -0.97 121.76 124.84 3gk0 s ALA 98 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3gk0 s ALA 98 Cb -0.10 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.91 3gk0 s ALA 98 CO 0.05 0.16 -0.11 0.00 0.00 0.00 0.00 175.76 175.85 3gk0 s LEU 100 N 1.33 4.23 0.09 0.00 1.43 -0.07 -1.99 118.68 123.68 3gk0 s LEU 100 Ca -0.02 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 3gk0 s LEU 100 Cb -0.17 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 3gk0 s LEU 100 CO -0.08 -0.59 -0.16 0.68 0.23 0.00 0.00 176.35 176.44 3gk0 s VAL 101 N 2.53 1.28 0.24 -1.59 -7.23 -0.65 -2.02 120.40 112.96 3gk0 s VAL 101 Ca 0.52 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.95 3gk0 s VAL 101 Cb -0.21 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.38 3gk0 s VAL 101 CO 0.17 -0.23 1.04 -2.16 -0.31 0.00 0.00 175.10 173.61 3gk0 s PRO 102 N -1.97 4.71 -0.00 4.82 0.04 -1.26 -4.24 135.00 137.10 3gk0 s PRO 102 Ca 0.02 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3gk0 s PRO 102 Cb -0.09 -3.24 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 3gk0 s PRO 102 CO 0.03 0.30 0.00 0.39 0.04 0.00 0.00 177.00 177.75 3gk0 n GLU 103 N 1.57 3.46 -4.10 4.56 1.02 -1.26 -5.01 120.64 120.88 3gk0 n GLU 103 Ca -0.01 -0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 3gk0 n GLU 103 Cb 0.46 -1.00 -0.06 0.00 -0.02 0.00 0.00 31.44 30.82 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 -2.00 2.82 0.30 3.49 1.02 -1.26 -5.01 119.74 119.09 3gk0 s LYS 104 Ca -0.00 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.14 3gk0 s LYS 104 Cb 0.00 -2.60 0.70 0.00 -0.52 0.00 0.00 37.83 35.41 3gk0 s LYS 104 CO 0.00 0.48 1.78 0.07 -0.92 0.00 0.00 175.35 176.77 3gk0 h ARG 105 N 2.51 0.76 0.00 1.68 -0.00 -1.98 -1.55 114.38 115.80 3gk0 h ARG 105 Ca -0.47 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 59.46 3gk0 h ARG 105 Cb 1.20 -0.17 0.00 0.00 -0.00 0.00 0.00 29.97 31.00 3gk0 h ARG 105 CO 0.62 0.50 0.00 -1.13 -0.00 0.00 0.00 179.97 179.97 3gk0 n SER 106 N -4.76 0.00 -0.24 0.08 3.41 -1.26 -3.34 113.62 107.51 3gk0 n SER 106 Ca 0.22 -0.11 0.05 0.00 -0.26 0.00 0.00 58.87 58.78 3gk0 n SER 106 Cb 0.54 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.25 2.05 -4.36 4.33 1.02 -0.58 -5.00 120.64 116.85 3gk0 n GLU 107 Ca 0.11 -0.62 -0.23 0.00 -0.02 0.00 0.00 57.16 56.40 3gk0 n GLU 107 Cb 0.16 -1.12 -0.11 0.00 -0.02 0.00 0.00 31.44 30.35 3gk0 n GLU 107 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 3gk0 s LEU 108 N -1.72 2.44 0.85 -4.62 0.05 -1.21 -1.52 118.68 112.95 3gk0 s LEU 108 Ca 0.09 -0.86 -0.13 0.00 0.05 0.00 0.00 54.13 53.28 3gk0 s LEU 108 Cb 0.09 -0.92 0.12 0.00 -2.05 0.00 0.00 46.19 43.43 3gk0 s LEU 108 CO 0.29 0.00 1.21 0.42 -0.55 0.00 0.00 176.35 177.72 3gk0 s THR 109 N -1.96 2.02 0.34 5.48 -4.23 -0.25 -4.77 115.64 112.26 3gk0 s THR 109 Ca 0.17 -0.02 0.14 0.00 -1.18 0.00 0.00 61.69 60.80 3gk0 s THR 109 Cb -0.06 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.87 3gk0 s THR 109 CO 0.08 0.00 1.80 0.71 -0.54 0.00 0.00 174.62 176.66 3gk0 h THR 110 N -1.21 1.21 0.00 3.99 1.35 -1.97 -2.16 112.91 114.11 3gk0 h THR 110 Ca -0.45 -1.39 -0.10 0.00 -0.55 0.00 0.00 66.41 63.92 3gk0 h THR 110 Cb 1.30 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 3gk0 h THR 110 CO 0.57 0.39 -0.48 -0.08 -0.25 0.00 0.00 175.52 175.67 3gk0 h GLU 111 N 0.00 0.00 0.00 4.72 4.81 -2.04 -3.47 114.58 118.60 3gk0 h GLU 111 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gk0 h GLU 111 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3gk0 h GLU 111 CO 0.05 0.48 0.00 0.41 -0.73 0.00 0.00 179.01 179.22 3gk0 n GLY 112 N 0.06 1.12 3.72 1.92 0.00 -0.81 -4.98 105.19 106.22 3gk0 n GLY 112 Ca -0.01 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 -1.30 1.59 0.15 -0.02 0.00 -1.26 -4.65 107.32 101.82 3gk0 s GLY 113 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 44.72 44.11 3gk0 s GLY 113 CO 0.00 0.25 1.33 -2.27 0.00 0.00 0.00 173.10 172.41 3gk0 s LEU 114 N -6.25 4.39 -1.24 0.66 2.96 -0.57 -1.09 118.68 117.54 3gk0 s LEU 114 Ca 0.64 2.32 -0.18 0.00 -0.22 0.00 0.00 54.13 56.69 3gk0 s LEU 114 Cb -0.17 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.01 3gk0 s LEU 114 CO 0.56 -0.58 1.64 -0.62 -1.32 0.00 0.00 176.35 176.04 3gk0 s ASP 115 N 0.76 6.82 0.05 3.68 3.68 -0.57 -4.71 116.67 126.38 3gk0 s ASP 115 Ca 0.60 -2.38 -0.22 0.00 2.13 0.00 0.00 52.55 52.69 3gk0 s ASP 115 Cb -0.36 -2.55 -0.14 0.00 -1.45 0.00 0.00 42.92 38.43 3gk0 s ASP 115 CO 0.33 -1.15 1.50 0.58 0.13 0.00 0.00 175.17 176.56 3gk0 h VAL 116 N 5.62 1.23 -0.92 1.11 2.07 -1.91 -1.61 116.25 121.84 3gk0 h VAL 116 Ca 0.39 -0.72 0.20 0.00 0.82 0.00 0.00 66.70 67.38 3gk0 h VAL 116 Cb 0.89 1.51 -0.11 0.00 -1.52 0.00 0.00 31.29 32.06 3gk0 h VAL 116 CO 1.42 0.21 0.48 0.58 0.02 0.00 0.00 177.57 180.28 3gk0 h VAL 117 N -0.07 0.60 0.00 2.57 2.07 -1.88 0.22 116.25 119.76 3gk0 h VAL 117 Ca 0.03 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3gk0 h VAL 117 Cb 0.31 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3gk0 h VAL 117 CO 0.00 0.10 -0.22 1.23 0.02 0.00 0.00 177.57 178.71 3gk0 h GLY 118 N 0.57 0.00 -2.04 2.17 0.00 -1.81 -3.26 103.07 98.70 3gk0 h GLY 118 Ca 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.75 3gk0 h GLY 118 CO -0.44 0.00 -0.69 1.42 0.00 0.00 0.00 176.54 176.83 3gk0 n HIS 119 N -3.16 0.50 -0.21 5.60 8.25 -0.66 -4.93 115.22 120.60 3gk0 n HIS 119 Ca 0.03 -1.45 -0.06 0.00 -0.26 0.00 0.00 57.72 55.98 3gk0 n HIS 119 Cb 0.61 -0.24 -0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 1.27 -1.03 -0.43 4.41 3.57 -0.63 -1.02 116.94 123.08 3gk0 h PHE 120 Ca 0.01 0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3gk0 h PHE 120 Cb 1.27 0.54 -0.02 0.00 2.79 0.00 0.00 35.95 40.54 3gk0 h PHE 120 CO 0.65 -0.39 -0.00 -0.44 -2.23 0.00 0.00 178.31 175.89 3gk0 h ASP 121 N -0.17 0.75 -0.53 0.41 3.32 -1.91 0.23 116.42 118.51 3gk0 h ASP 121 Ca 0.22 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.99 3gk0 h ASP 121 Cb 0.56 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3gk0 h ASP 121 CO -0.70 0.87 0.33 0.00 -1.72 0.00 0.00 179.24 178.02 3gk0 h ALA 122 N 0.90 0.68 -0.36 3.45 0.00 -1.86 -1.31 119.26 120.76 3gk0 h ALA 122 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3gk0 h ALA 122 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gk0 h ALA 122 CO 0.02 0.06 -0.26 0.28 0.00 0.00 0.00 179.25 179.35 3gk0 h VAL 123 N 0.66 1.27 -0.39 0.00 2.07 -0.85 -1.20 116.25 117.82 3gk0 h VAL 123 Ca 0.21 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3gk0 h VAL 123 Cb -0.01 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3gk0 h VAL 123 CO -0.08 0.46 0.16 -0.09 0.02 0.00 0.00 177.57 178.04 3gk0 h ARG 124 N 0.64 0.58 -0.62 1.57 2.43 -0.39 -1.17 114.38 117.41 3gk0 h ARG 124 Ca 0.08 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3gk0 h ARG 124 Cb 0.77 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 3gk0 h ARG 124 CO 0.06 0.54 0.37 0.00 -1.51 0.00 0.00 179.97 179.43 3gk0 h ALA 125 N 1.01 0.82 -0.16 2.80 0.00 -1.09 -2.16 119.26 120.47 3gk0 h ALA 125 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gk0 h ALA 125 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gk0 h ALA 125 CO -0.01 0.09 -0.17 0.00 0.00 0.00 0.00 179.25 179.16 3gk0 h ALA 126 N 1.29 1.42 -0.32 0.00 0.00 -0.97 -0.04 119.26 120.64 3gk0 h ALA 126 Ca 0.26 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3gk0 h ALA 126 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gk0 h ALA 126 CO -0.13 0.40 -0.42 0.00 0.00 0.00 0.00 179.25 179.10 3gk0 h LYS 128 N 0.65 0.68 -0.22 0.00 3.64 -1.01 -1.40 116.57 118.91 3gk0 h LYS 128 Ca 0.05 -0.43 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 3gk0 h LYS 128 Cb 0.99 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3gk0 h LYS 128 CO 0.09 1.05 -0.01 0.37 -2.27 0.00 0.00 179.45 178.69 3gk0 h GLN 129 N 0.39 0.06 -0.39 1.90 4.15 -1.01 0.16 115.11 120.36 3gk0 h GLN 129 Ca 0.01 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 3gk0 h GLN 129 Cb 1.02 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 3gk0 h GLN 129 CO 0.09 0.04 -0.27 -0.07 -1.93 0.00 0.00 178.83 176.70 3gk0 h LEU 130 N 0.06 0.83 -0.72 -2.39 3.38 -1.36 -2.44 115.31 112.67 3gk0 h LEU 130 Ca 0.10 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3gk0 h LEU 130 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3gk0 h LEU 130 CO -0.18 1.05 -0.24 0.00 0.09 0.00 0.00 178.44 179.17 3gk0 h ALA 131 N 1.00 0.91 0.00 1.53 0.00 -0.99 -0.01 119.26 121.69 3gk0 h ALA 131 Ca 0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3gk0 h ALA 131 Cb 0.80 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gk0 h ALA 131 CO 0.07 0.62 -0.14 -0.44 0.00 0.00 0.00 179.25 179.35 3gk0 h ASP 132 N 0.62 0.00 -0.24 0.00 5.19 -0.87 -0.75 116.42 120.37 3gk0 h ASP 132 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3gk0 h ASP 132 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 3gk0 h ASP 132 CO 0.06 0.14 0.00 0.00 -3.12 0.00 0.00 179.24 176.32 3gk0 n ALA 133 N -2.37 2.48 -1.07 3.45 0.00 -0.75 -4.92 120.51 117.33 3gk0 n ALA 133 Ca -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 3gk0 n ALA 133 Cb 0.24 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 0.99 0.57 3.79 0.00 0.00 -0.29 -4.94 105.19 105.31 3gk0 n GLY 134 Ca 0.11 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.98 5.18 -0.31 1.61 1.01 -0.09 -4.93 120.40 120.88 3gk0 s VAL 135 Ca 0.00 0.73 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 3gk0 s VAL 135 Cb 0.00 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3gk0 s VAL 135 CO 0.00 0.48 0.74 -0.60 0.00 0.00 0.00 175.10 175.72 3gk0 s ARG 136 N -0.31 3.92 -0.20 2.72 3.52 -0.78 -3.71 118.95 124.11 3gk0 s ARG 136 Ca 0.21 0.46 -0.10 0.00 -0.13 0.00 0.00 55.73 56.18 3gk0 s ARG 136 Cb -0.15 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 3gk0 s ARG 136 CO 0.09 -0.67 0.13 0.08 -0.81 0.00 0.00 175.30 174.12 3gk0 s VAL 137 N 2.87 5.40 0.09 7.11 1.01 -1.26 -1.77 120.40 133.85 3gk0 s VAL 137 Ca 0.30 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.51 3gk0 s VAL 137 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3gk0 s VAL 137 CO 0.13 0.45 0.03 -0.55 0.00 0.00 0.00 175.10 175.15 3gk0 s SER 138 N 0.32 5.20 -0.19 3.32 0.15 0.89 -2.26 113.70 121.12 3gk0 s SER 138 Ca 0.08 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3gk0 s SER 138 Cb -0.11 -1.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 3gk0 s SER 138 CO -0.02 0.17 -0.17 -0.76 1.20 0.00 0.00 173.24 173.66 3gk0 s LEU 139 N -2.39 2.28 -0.31 3.45 1.43 -0.91 -0.90 118.68 121.32 3gk0 s LEU 139 Ca 0.27 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 3gk0 s LEU 139 Cb -0.12 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.59 3gk0 s LEU 139 CO 0.20 -0.00 1.11 0.12 0.23 0.00 0.00 176.35 178.01 3gk0 s PHE 140 N 1.32 3.07 0.13 0.29 2.19 -0.86 -1.12 117.98 123.01 3gk0 s PHE 140 Ca 0.05 1.14 -0.08 0.00 0.33 0.00 0.00 56.93 58.37 3gk0 s PHE 140 Cb -0.13 -3.72 -0.01 0.00 -1.31 0.00 0.00 43.02 37.85 3gk0 s PHE 140 CO -0.11 -0.93 0.22 0.96 1.83 0.00 0.00 175.22 177.19 3gk0 s ILE 141 N 3.75 0.10 0.64 3.12 -4.36 -0.18 -1.51 121.20 122.76 3gk0 s ILE 141 Ca 0.47 -1.35 -0.15 0.00 -0.26 0.00 0.00 60.65 59.36 3gk0 s ILE 141 Cb -0.13 -1.64 -0.01 0.00 1.25 0.00 0.00 42.46 41.93 3gk0 s ILE 141 CO 0.16 -0.48 1.09 -1.81 0.24 0.00 0.00 174.94 174.15 3gk0 s ASP 142 N -2.93 5.34 0.00 4.36 1.01 -1.26 -0.82 116.67 122.37 3gk0 s ASP 142 Ca 0.12 1.92 -0.04 0.00 0.71 0.00 0.00 52.55 55.26 3gk0 s ASP 142 Cb 0.04 -2.54 -0.20 0.00 1.01 0.00 0.00 42.92 41.23 3gk0 s ASP 142 CO -0.05 -1.47 2.89 -0.81 0.21 0.00 0.00 175.17 175.94 3gk0 n PRO 143 N -2.33 1.53 -4.67 8.23 -0.04 -1.26 -4.69 135.00 131.77 3gk0 n PRO 143 Ca 0.10 -0.74 -0.33 0.00 -0.04 0.00 0.00 63.50 62.49 3gk0 n PRO 143 Cb 0.52 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 3gk0 n PRO 143 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gk0 s ASP 144 N 2.19 4.32 0.27 3.54 1.01 -1.26 -4.73 116.67 122.01 3gk0 s ASP 144 Ca 0.49 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.53 3gk0 s ASP 144 Cb 0.24 -1.51 0.49 0.00 1.01 0.00 0.00 42.92 43.14 3gk0 s ASP 144 CO 0.00 0.22 1.83 1.05 0.21 0.00 0.00 175.17 178.48 3gk0 h GLU 145 N 6.33 0.93 -0.64 8.23 4.11 -1.99 -1.13 114.58 130.42 3gk0 h GLU 145 Ca -0.33 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.06 3gk0 h GLU 145 Cb 1.19 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 3gk0 h GLU 145 CO 0.57 0.62 0.42 0.00 0.07 0.00 0.00 179.01 180.68 3gk0 h ALA 146 N 1.50 0.82 -0.13 1.06 0.00 -1.97 -1.41 119.26 119.13 3gk0 h ALA 146 Ca 0.46 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 3gk0 h ALA 146 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gk0 h ALA 146 CO -0.25 0.23 -0.58 1.96 0.00 0.00 0.00 179.25 180.61 3gk0 h GLN 147 N 0.86 0.43 -0.50 0.00 1.08 -1.62 -1.93 115.11 113.43 3gk0 h GLN 147 Ca 0.24 -0.29 -0.12 0.00 -1.45 0.00 0.00 58.65 57.03 3gk0 h GLN 147 Cb -0.08 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3gk0 h GLN 147 CO -0.06 0.89 -0.16 0.82 -0.95 0.00 0.00 178.83 179.38 3gk0 h ILE 148 N 0.33 1.27 -0.55 2.54 2.04 -1.00 -0.45 117.51 121.68 3gk0 h ILE 148 Ca -0.00 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.47 3gk0 h ILE 148 Cb 1.11 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3gk0 h ILE 148 CO 0.10 0.46 0.06 0.03 0.00 0.00 0.00 178.15 178.80 3gk0 h ARG 149 N 0.85 0.94 -0.50 2.37 3.08 -1.26 -2.35 114.38 117.51 3gk0 h ARG 149 Ca 0.12 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3gk0 h ARG 149 Cb 0.73 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3gk0 h ARG 149 CO 0.06 0.92 -0.03 0.00 -1.07 0.00 0.00 179.97 179.84 3gk0 h ALA 150 N 0.98 1.00 0.05 0.04 0.00 -1.23 -2.37 119.26 117.73 3gk0 h ALA 150 Ca 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gk0 h ALA 150 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gk0 h ALA 150 CO 0.02 0.61 -0.10 0.00 0.00 0.00 0.00 179.25 179.78 3gk0 h ALA 151 N 1.16 -0.15 -0.78 0.00 0.00 -0.90 -1.41 119.26 117.18 3gk0 h ALA 151 Ca 0.14 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3gk0 h ALA 151 Cb 0.52 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 3gk0 h ALA 151 CO 0.03 -0.61 0.33 1.25 0.00 0.00 0.00 179.25 180.26 3gk0 h HIS 152 N -0.19 0.57 0.00 0.00 6.17 -1.33 -2.11 115.15 118.26 3gk0 h HIS 152 Ca 0.02 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 3gk0 h HIS 152 Cb 0.21 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.00 3gk0 h HIS 152 CO -0.13 0.08 -0.11 0.93 0.71 0.00 0.00 177.93 179.40 3gk0 h GLU 153 N 0.47 0.00 0.00 5.26 4.39 -0.79 -2.34 114.58 121.58 3gk0 h GLU 153 Ca 0.43 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.10 3gk0 h GLU 153 Cb 0.67 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3gk0 h GLU 153 CO -0.41 0.11 -0.15 1.79 -1.16 0.00 0.00 179.01 179.19 3gk0 h THR 154 N 0.00 0.53 0.00 1.13 1.35 -0.57 -3.47 112.91 111.89 3gk0 h THR 154 Ca -0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3gk0 h THR 154 Cb 0.65 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3gk0 h THR 154 CO 0.01 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 3gk0 n GLY 155 N -0.40 0.67 3.73 5.82 0.00 -0.88 -4.71 105.19 109.42 3gk0 n GLY 155 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.23 3.43 -0.47 4.61 0.00 -1.25 -4.95 121.76 120.90 3gk0 s ALA 156 Ca 0.00 0.93 0.26 0.00 0.00 0.00 0.00 51.96 53.15 3gk0 s ALA 156 Cb 0.00 -3.43 0.80 0.00 0.00 0.00 0.00 23.12 20.49 3gk0 s ALA 156 CO 0.00 -0.40 1.75 -1.00 0.00 0.00 0.00 175.76 176.11 3gk0 h PRO 157 N 5.75 0.00 -5.51 0.00 0.13 -1.92 -3.43 132.00 127.02 3gk0 h PRO 157 Ca -0.44 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.24 3gk0 h PRO 157 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 3gk0 h PRO 157 CO 0.77 0.00 -0.80 0.08 -0.23 0.00 0.00 178.00 177.83 3gk0 s VAL 158 N -3.26 1.24 0.07 1.56 1.01 -0.96 -1.69 120.40 118.37 3gk0 s VAL 158 Ca 0.07 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 60.87 3gk0 s VAL 158 Cb 0.09 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3gk0 s VAL 158 CO 0.57 -0.10 -0.17 0.27 0.00 0.00 0.00 175.10 175.67 3gk0 s ILE 159 N -1.09 1.35 -0.16 2.22 -4.36 -0.53 -2.15 121.20 116.47 3gk0 s ILE 159 Ca 0.01 -1.30 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 3gk0 s ILE 159 Cb -0.09 -1.24 0.02 0.00 1.25 0.00 0.00 42.46 42.39 3gk0 s ILE 159 CO 0.02 -0.08 -0.21 -0.70 0.24 0.00 0.00 174.94 174.21 3gk0 s GLU 160 N -1.59 3.01 0.13 0.37 2.12 -0.28 -0.14 118.70 122.32 3gk0 s GLU 160 Ca 0.02 -0.84 -0.25 0.00 0.36 0.00 0.00 54.97 54.26 3gk0 s GLU 160 Cb -0.09 -2.51 -0.07 0.00 0.26 0.00 0.00 34.13 31.71 3gk0 s GLU 160 CO 0.03 -0.12 0.76 -0.51 -0.54 0.00 0.00 175.26 174.88 3gk0 s LEU 161 N 1.07 4.55 -0.67 2.70 1.43 -0.08 -1.01 118.68 126.67 3gk0 s LEU 161 Ca -0.01 1.57 -0.27 0.00 -1.03 0.00 0.00 54.13 54.39 3gk0 s LEU 161 Cb -0.14 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.84 3gk0 s LEU 161 CO -0.08 0.16 1.49 -2.28 0.23 0.00 0.00 176.35 175.88 3gk0 s HIS 162 N -0.85 2.08 -1.95 0.29 5.65 -0.00 -4.13 115.29 116.38 3gk0 s HIS 162 Ca 0.36 0.31 0.09 0.00 0.25 0.00 0.00 55.06 56.06 3gk0 s HIS 162 Cb -0.22 -4.42 0.26 0.00 -1.18 0.00 0.00 32.58 27.02 3gk0 s HIS 162 CO 0.25 -2.14 1.20 0.25 -0.65 0.00 0.00 174.74 173.65 3gk0 n THR 163 N 6.73 0.41 -0.08 0.89 -2.24 -1.26 -4.42 114.28 114.31 3gk0 n THR 163 Ca 0.10 -0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 61.45 3gk0 n THR 163 Cb 0.50 0.17 0.18 0.00 -2.10 0.00 0.00 70.33 69.08 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 5.34 0.79 1.45 3.38 0.00 -1.88 -0.78 103.07 111.37 3gk0 h GLY 164 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 47.33 46.60 3gk0 h GLY 164 CO 0.01 0.49 -0.73 3.21 0.00 0.00 0.00 176.54 179.53 3gk0 h ARG 165 N 0.68 0.54 -0.03 4.80 3.08 -1.91 -0.24 114.38 121.31 3gk0 h ARG 165 Ca 0.13 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.77 3gk0 h ARG 165 Cb 0.47 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3gk0 h ARG 165 CO 0.02 1.06 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.97 3gk0 h TYR 166 N 0.38 -0.22 -0.86 3.04 5.03 -1.79 -2.23 116.97 120.31 3gk0 h TYR 166 Ca -0.03 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 3gk0 h TYR 166 Cb 1.31 0.10 -0.04 0.00 1.55 0.00 0.00 36.73 39.66 3gk0 h TYR 166 CO 0.06 -0.14 0.50 0.00 -1.32 0.00 0.00 178.16 177.27 3gk0 h ALA 167 N 0.87 1.10 -0.01 1.82 0.00 -1.02 -2.92 119.26 119.10 3gk0 h ALA 167 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gk0 h ALA 167 Cb 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gk0 h ALA 167 CO -0.11 0.58 -0.09 -0.25 0.00 0.00 0.00 179.25 179.38 3gk0 n ASP 168 N -4.40 0.95 -4.59 0.00 9.92 -0.11 -4.96 116.55 113.36 3gk0 n ASP 168 Ca 0.09 -1.06 -0.46 0.00 -0.53 0.00 0.00 54.79 52.83 3gk0 n ASP 168 Cb 0.07 0.01 -0.02 0.00 -0.64 0.00 0.00 41.12 40.54 3gk0 n ASP 168 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gk0 n ALA 169 N -0.45 -0.31 0.34 2.24 0.00 -0.85 -4.92 120.51 116.57 3gk0 n ALA 169 Ca 0.17 0.41 0.12 0.00 0.00 0.00 0.00 53.44 54.14 3gk0 n ALA 169 Cb 0.30 -2.04 0.04 0.00 0.00 0.00 0.00 19.45 17.75 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 0.75 0.62 -4.04 0.00 8.25 -1.26 -4.90 115.22 114.63 3gk0 n HIS 170 Ca 0.11 0.18 -0.10 0.00 -0.26 0.00 0.00 57.72 57.65 3gk0 n HIS 170 Cb 0.30 -0.72 -0.07 0.00 1.12 0.00 0.00 29.99 30.62 3gk0 n HIS 170 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3gk0 s ASP 171 N -4.64 0.03 0.34 0.41 -4.77 -1.26 -5.05 116.67 101.73 3gk0 s ASP 171 Ca 0.02 -1.03 0.04 0.00 -3.30 0.00 0.00 52.55 48.28 3gk0 s ASP 171 Cb 0.12 0.47 0.67 0.00 -1.09 0.00 0.00 42.92 43.08 3gk0 s ASP 171 CO 0.78 -0.95 1.93 0.00 0.70 0.00 0.00 175.17 177.63 3gk0 h ALA 172 N 2.48 1.64 -0.12 2.11 0.00 -1.99 -0.89 119.26 122.49 3gk0 h ALA 172 Ca -0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3gk0 h ALA 172 Cb 1.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3gk0 h ALA 172 CO 0.46 0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.95 3gk0 h ALA 173 N 1.57 0.16 -0.45 0.00 0.00 -2.00 -1.87 119.26 116.68 3gk0 h ALA 173 Ca 0.35 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3gk0 h ALA 173 Cb 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gk0 h ALA 173 CO -0.13 -0.18 -0.11 1.49 0.00 0.00 0.00 179.25 180.33 3gk0 h GLU 174 N -0.02 0.81 -0.56 0.00 4.81 -1.89 -2.39 114.58 115.33 3gk0 h GLU 174 Ca 0.04 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 3gk0 h GLU 174 Cb 0.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3gk0 h GLU 174 CO 0.00 0.88 0.07 0.37 -0.73 0.00 0.00 179.01 179.60 3gk0 h GLN 175 N 0.73 0.94 -0.58 1.92 4.15 -1.06 -0.92 115.11 120.29 3gk0 h GLN 175 Ca 0.12 -0.27 -0.08 0.00 0.77 0.00 0.00 58.65 59.20 3gk0 h GLN 175 Cb 0.59 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3gk0 h GLN 175 CO 0.04 0.92 0.05 0.37 -1.93 0.00 0.00 178.83 178.27 3gk0 h GLN 176 N 0.84 1.00 0.00 1.69 -0.00 -1.28 0.17 115.11 117.53 3gk0 h GLN 176 Ca 0.17 -0.29 0.02 0.00 -0.00 0.00 0.00 58.65 58.54 3gk0 h GLN 176 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.80 3gk0 h GLN 176 CO 0.02 0.97 -0.12 -0.09 0.00 0.00 0.00 178.83 179.61 3gk0 h ARG 177 N 0.89 -0.19 -0.42 1.69 2.43 -1.12 -1.61 114.38 116.05 3gk0 h ARG 177 Ca 0.17 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 3gk0 h ARG 177 Cb 0.49 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3gk0 h ARG 177 CO 0.02 -0.13 -0.14 0.93 -1.51 0.00 0.00 179.97 179.14 3gk0 h GLU 178 N -0.20 0.78 -0.84 0.20 4.39 -1.01 -2.39 114.58 115.52 3gk0 h GLU 178 Ca 0.04 -0.27 0.06 0.00 0.34 0.00 0.00 59.36 59.53 3gk0 h GLU 178 Cb 0.25 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 3gk0 h GLU 178 CO -0.11 0.88 0.55 0.35 -1.16 0.00 0.00 179.01 179.51 3gk0 h PHE 179 N 0.70 0.94 -0.62 4.33 3.57 -0.46 -1.73 116.94 123.66 3gk0 h PHE 179 Ca 0.11 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3gk0 h PHE 179 Cb 0.63 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3gk0 h PHE 179 CO 0.03 0.49 0.03 1.49 -2.23 0.00 0.00 178.31 178.13 3gk0 h GLU 180 N 0.92 1.08 -0.62 1.11 4.57 -0.79 -0.93 114.58 119.91 3gk0 h GLU 180 Ca 0.36 -0.32 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3gk0 h GLU 180 Cb 0.22 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3gk0 h GLU 180 CO -0.13 1.03 0.37 0.00 -1.18 0.00 0.00 179.01 179.10 3gk0 h ARG 181 N 0.99 0.70 -0.12 1.92 3.08 -1.04 -0.48 114.38 119.43 3gk0 h ARG 181 Ca 0.18 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3gk0 h ARG 181 Cb 0.52 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3gk0 h ARG 181 CO 0.03 0.47 0.02 0.82 -1.07 0.00 0.00 179.97 180.23 3gk0 h ILE 182 N 0.72 1.23 -0.94 2.04 5.03 -1.06 -0.16 117.51 124.37 3gk0 h ILE 182 Ca 0.26 -0.72 0.07 0.00 -0.12 0.00 0.00 64.86 64.34 3gk0 h ILE 182 Cb 0.05 1.47 -0.06 0.00 -3.03 0.00 0.00 36.82 35.25 3gk0 h ILE 182 CO -0.12 0.21 0.61 0.00 -0.68 0.00 0.00 178.15 178.17 3gk0 h ALA 183 N 0.78 1.49 0.00 1.87 0.00 -0.91 0.44 119.26 122.94 3gk0 h ALA 183 Ca 0.04 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3gk0 h ALA 183 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3gk0 h ALA 183 CO 0.00 0.36 -0.82 1.79 0.00 0.00 0.00 179.25 180.59 3gk0 h THR 184 N 1.06 1.31 -0.47 0.00 1.35 -1.01 -2.77 112.91 112.37 3gk0 h THR 184 Ca 0.41 -2.88 -0.00 0.00 -0.55 0.00 0.00 66.41 63.39 3gk0 h THR 184 Cb 0.22 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 3gk0 h THR 184 CO -0.16 0.75 0.29 1.23 -0.25 0.00 0.00 175.52 177.38 3gk0 h GLY 185 N 3.24 0.68 0.91 5.82 0.00 -0.14 -0.88 103.07 112.70 3gk0 h GLY 185 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3gk0 h GLY 185 CO 0.10 0.27 -0.21 -2.08 0.00 0.00 0.00 176.54 174.62 3gk0 h VAL 186 N 0.63 0.56 -0.23 4.60 2.07 -0.93 -0.38 116.25 122.57 3gk0 h VAL 186 Ca 0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.74 3gk0 h VAL 186 Cb -0.02 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3gk0 h VAL 186 CO -0.03 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 177.89 3gk0 h ASP 187 N -0.53 -0.37 -0.78 0.57 3.32 -1.48 1.00 116.42 118.14 3gk0 h ASP 187 Ca -0.04 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.22 3gk0 h ASP 187 Cb 0.44 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.12 3gk0 h ASP 187 CO 0.04 -0.14 0.40 0.00 -1.72 0.00 0.00 179.24 177.82 3gk0 h ALA 188 N 1.12 1.12 -0.15 3.45 0.00 -1.04 0.24 119.26 124.00 3gk0 h ALA 188 Ca 0.13 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 188 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gk0 h ALA 188 CO -0.29 -0.04 -0.49 0.78 0.00 0.00 0.00 179.25 179.21 3gk0 h GLY 189 N 0.63 0.66 1.62 0.00 0.00 -0.38 -2.93 103.07 102.67 3gk0 h GLY 189 Ca 0.40 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 3gk0 h GLY 189 CO -0.30 0.77 -0.11 -2.22 0.00 0.00 0.00 176.54 174.68 3gk0 h ILE 190 N 0.25 1.22 -0.22 2.60 2.04 -0.59 -1.36 117.51 121.45 3gk0 h ILE 190 Ca -0.02 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 64.94 3gk0 h ILE 190 Cb 1.11 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3gk0 h ILE 190 CO 0.10 0.31 0.16 0.00 0.00 0.00 0.00 178.15 178.72 3gk0 h ALA 191 N 1.46 2.15 -0.26 1.87 0.00 -0.38 -1.76 119.26 122.33 3gk0 h ALA 191 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gk0 h ALA 191 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gk0 h ALA 191 CO 0.03 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3gk0 n LEU 192 N -4.48 2.62 0.00 0.00 4.77 -0.87 -4.94 117.00 114.10 3gk0 n LEU 192 Ca 0.02 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 3gk0 n LEU 192 Cb 0.27 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3gk0 n LEU 192 CO 0.35 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3gk0 n GLY 193 N 1.33 0.67 3.79 -0.72 0.00 -0.66 -5.05 105.19 104.54 3gk0 n GLY 193 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 4.43 0.30 0.99 1.43 -0.57 -5.00 118.68 120.27 3gk0 s LEU 194 Ca 0.00 1.68 -0.28 0.00 -1.03 0.00 0.00 54.13 54.51 3gk0 s LEU 194 Cb 0.00 -3.68 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 3gk0 s LEU 194 CO 0.00 0.05 0.99 -0.75 0.23 0.00 0.00 176.35 176.87 3gk0 s LYS 195 N -1.73 4.62 -0.07 1.70 2.20 -0.68 -3.93 119.74 121.85 3gk0 s LYS 195 Ca 0.44 1.51 0.03 0.00 -0.36 0.00 0.00 55.97 57.59 3gk0 s LYS 195 Cb -0.20 -2.99 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 3gk0 s LYS 195 CO 0.24 0.28 -0.16 0.54 -0.36 0.00 0.00 175.35 175.89 3gk0 s VAL 196 N -1.39 1.39 0.52 4.02 0.11 -1.26 -1.46 120.40 122.33 3gk0 s VAL 196 Ca 0.47 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 3gk0 s VAL 196 Cb -0.24 -1.23 -0.00 0.00 -1.53 0.00 0.00 36.38 33.38 3gk0 s VAL 196 CO 0.31 0.41 0.09 0.20 -3.33 0.00 0.00 175.10 172.77 3gk0 s ASN 197 N 0.43 4.24 0.26 3.54 0.01 0.81 -0.75 114.94 123.49 3gk0 s ASN 197 Ca -0.13 -1.57 -0.12 0.00 -0.71 0.00 0.00 52.86 50.34 3gk0 s ASN 197 Cb -0.15 0.50 0.05 0.00 0.41 0.00 0.00 41.25 42.06 3gk0 s ASN 197 CO 0.04 -0.91 0.63 0.00 -1.51 0.00 0.00 177.10 175.36 3gk0 n ALA 198 N -1.37 -1.49 0.00 0.60 0.00 -0.99 -0.91 120.51 116.36 3gk0 n ALA 198 Ca -0.15 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3gk0 n ALA 198 Cb 0.66 0.69 0.00 0.00 0.00 0.00 0.00 19.45 20.80 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 -0.43 0.35 3.69 0.00 0.00 -1.26 -0.82 105.19 106.71 3gk0 n GLY 199 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3gk0 n GLY 199 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gk0 s HIS 200 N 0.00 2.33 0.00 1.61 2.46 -1.26 -2.43 115.29 118.00 3gk0 s HIS 200 Ca 0.00 0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.77 3gk0 s HIS 200 Cb 0.00 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.44 3gk0 s HIS 200 CO 0.00 -4.08 0.00 0.41 -2.47 0.00 0.00 174.74 168.60 3gk0 n GLY 201 N 4.05 0.33 3.77 1.59 0.00 -1.26 -3.34 105.19 110.33 3gk0 n GLY 201 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 4.43 0.00 0.99 1.43 -1.02 -4.72 118.68 119.79 3gk0 s LEU 202 Ca 0.00 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 3gk0 s LEU 202 Cb 0.00 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.34 3gk0 s LEU 202 CO 0.00 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.51 3gk0 n HIS 203 N 0.82 -0.32 0.78 0.29 1.44 -1.26 -4.52 115.22 112.45 3gk0 n HIS 203 Ca 0.01 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.82 3gk0 n HIS 203 Cb 0.49 0.00 0.47 0.00 0.12 0.00 0.00 29.99 31.07 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 0.00 0.10 -1.40 4.02 -1.26 -2.11 117.16 116.51 3gk0 n TYR 204 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 3gk0 n TYR 204 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 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 -1.47 0.00 0.24 -0.72 -2.24 -1.26 -4.71 114.28 104.12 3gk0 n THR 205 Ca 0.06 -0.48 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 3gk0 n THR 205 Cb 0.24 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.40 1.44 0.12 3.42 0.23 -1.12 -4.71 115.26 114.23 3gk0 n ASN 206 Ca 0.01 -1.22 -0.00 0.00 -0.53 0.00 0.00 54.58 52.84 3gk0 n ASN 206 Cb 0.05 0.03 0.05 0.00 -2.08 0.00 0.00 39.78 37.83 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 1.08 1.20 -0.17 3.53 3.04 -1.71 -3.36 116.25 119.87 3gk0 h VAL 207 Ca 0.00 -2.48 -0.01 0.00 -1.01 0.00 0.00 66.70 63.20 3gk0 h VAL 207 Cb 0.23 2.45 -0.01 0.00 -2.01 0.00 0.00 31.29 31.96 3gk0 h VAL 207 CO 0.00 0.64 0.08 1.56 -1.01 0.00 0.00 177.57 178.84 3gk0 h GLN 208 N 0.00 0.25 -0.66 4.17 7.50 -1.85 0.11 115.11 124.62 3gk0 h GLN 208 Ca -0.01 -0.04 0.03 0.00 0.50 0.00 0.00 58.65 59.14 3gk0 h GLN 208 Cb 1.40 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.85 3gk0 h GLN 208 CO 0.09 0.29 0.44 0.00 -1.50 0.00 0.00 178.83 178.14 3gk0 h ALA 209 N 0.95 1.62 0.07 3.87 0.00 -1.92 0.64 119.26 124.48 3gk0 h ALA 209 Ca 0.06 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 3gk0 h ALA 209 Cb 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.71 3gk0 h ALA 209 CO -0.01 0.32 -1.04 0.82 0.00 0.00 0.00 179.25 179.34 3gk0 h ILE 210 N 0.81 1.33 0.00 0.00 1.08 -1.62 -3.21 117.51 115.89 3gk0 h ILE 210 Ca 0.26 -2.33 -0.04 0.00 -0.39 0.00 0.00 64.86 62.36 3gk0 h ILE 210 Cb 0.05 2.63 -0.01 0.00 -3.07 0.00 0.00 36.82 36.43 3gk0 h ILE 210 CO -0.07 0.70 -0.18 0.00 -0.69 0.00 0.00 178.15 177.91 3gk0 h ALA 211 N 0.30 1.58 0.00 1.87 0.00 -0.39 -2.68 119.26 119.95 3gk0 h ALA 211 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gk0 h ALA 211 Cb 1.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3gk0 h ALA 211 CO 0.20 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3gk0 n ALA 212 N -2.45 1.87 -2.55 0.00 0.00 0.18 -4.02 120.51 113.53 3gk0 n ALA 212 Ca -0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3gk0 n ALA 212 Cb 0.26 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 3gk0 n ALA 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gk0 s LEU 213 N -2.98 3.77 0.57 0.00 1.43 -1.01 -4.87 118.68 115.58 3gk0 s LEU 213 Ca 0.09 0.83 0.25 0.00 -1.03 0.00 0.00 54.13 54.28 3gk0 s LEU 213 Cb 0.12 -3.54 1.65 0.00 0.03 0.00 0.00 46.19 44.45 3gk0 s LEU 213 CO 0.34 -1.13 2.22 1.55 0.23 0.00 0.00 176.35 179.57 3gk0 h PRO 214 N 9.05 0.00 0.00 1.29 0.13 -1.89 -2.43 132.00 138.15 3gk0 h PRO 214 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3gk0 h PRO 214 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3gk0 h PRO 214 CO 1.08 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 3gk0 n GLY 215 N -1.39 -1.15 3.66 1.56 0.00 -1.26 -4.76 105.19 101.85 3gk0 n GLY 215 Ca -0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.60 4.85 -0.11 -0.61 1.01 -0.92 -4.40 121.20 118.42 3gk0 s ILE 216 Ca 0.23 1.65 -0.24 0.00 0.00 0.00 0.00 60.65 62.29 3gk0 s ILE 216 Cb 0.17 -4.15 -0.27 0.00 0.01 0.00 0.00 42.46 38.22 3gk0 s ILE 216 CO 0.39 -0.03 0.73 0.00 0.00 0.00 0.00 174.94 176.04 3gk0 h ALA 217 N 7.46 0.02 -3.30 9.38 0.00 -1.24 -3.46 119.26 128.11 3gk0 h ALA 217 Ca -0.26 -0.71 -0.18 0.00 0.00 0.00 0.00 54.91 53.75 3gk0 h ALA 217 Cb 1.11 0.17 -0.26 0.00 0.00 0.00 0.00 17.79 18.81 3gk0 h ALA 217 CO 0.86 0.31 -0.53 -2.00 0.00 0.00 0.00 179.25 177.89 3gk0 s GLU 218 N -2.34 0.21 -0.29 0.00 2.12 -1.26 -1.97 118.70 115.18 3gk0 s GLU 218 Ca -0.18 0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.25 3gk0 s GLU 218 Cb 0.00 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.51 3gk0 s GLU 218 CO 0.74 -0.03 0.05 -0.51 -0.54 0.00 0.00 175.26 174.97 3gk0 s LEU 219 N -0.05 3.75 -0.49 2.70 1.43 -0.36 -2.33 118.68 123.32 3gk0 s LEU 219 Ca -0.01 -0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 52.08 3gk0 s LEU 219 Cb -0.02 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.42 3gk0 s LEU 219 CO 0.00 -0.19 0.67 0.20 0.23 0.00 0.00 176.35 177.27 3gk0 s ASN 220 N 1.44 6.26 0.01 2.29 0.01 -0.00 -1.25 114.94 123.71 3gk0 s ASN 220 Ca 0.01 -0.68 0.08 0.00 -0.71 0.00 0.00 52.86 51.57 3gk0 s ASN 220 Cb -0.17 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 3gk0 s ASN 220 CO 0.01 -0.91 -0.24 -0.63 -1.51 0.00 0.00 177.10 173.82 3gk0 s ILE 221 N 2.87 1.90 0.00 0.60 1.01 -0.35 -4.06 121.20 123.18 3gk0 s ILE 221 Ca 0.19 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3gk0 s ILE 221 Cb -0.17 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.69 3gk0 s ILE 221 CO 0.15 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3gk0 n GLY 222 N 2.16 0.19 0.33 6.18 0.00 -1.26 -0.57 105.19 112.22 3gk0 n GLY 222 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 1.02 -0.21 1.61 -0.00 -1.91 -2.40 115.15 113.26 3gk0 h HIS 223 Ca 0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 3gk0 h HIS 223 Cb 0.00 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 3gk0 h HIS 223 CO 0.00 0.76 0.01 0.00 -0.00 0.00 0.00 177.93 178.71 3gk0 h ALA 224 N 1.33 1.63 -0.04 5.26 0.00 -1.93 0.05 119.26 125.56 3gk0 h ALA 224 Ca 0.24 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3gk0 h ALA 224 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gk0 h ALA 224 CO -0.02 0.28 -0.23 0.82 0.00 0.00 0.00 179.25 180.09 3gk0 h ILE 225 N 0.30 1.46 -0.88 0.00 2.04 -1.77 -0.81 117.51 117.85 3gk0 h ILE 225 Ca 0.07 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 3gk0 h ILE 225 Cb 0.19 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 3gk0 h ILE 225 CO 0.00 0.48 0.52 0.58 0.00 0.00 0.00 178.15 179.73 3gk0 h VAL 226 N -0.32 1.24 -0.19 1.67 2.07 -1.28 0.85 116.25 120.30 3gk0 h VAL 226 Ca -0.02 -0.55 -0.17 0.00 0.82 0.00 0.00 66.70 66.78 3gk0 h VAL 226 Cb 0.89 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3gk0 h VAL 226 CO 0.05 0.26 -0.59 0.00 0.02 0.00 0.00 177.57 177.31 3gk0 h ALA 227 N 1.36 0.62 -0.36 1.67 0.00 -0.95 -2.71 119.26 118.87 3gk0 h ALA 227 Ca 0.31 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3gk0 h ALA 227 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gk0 h ALA 227 CO -0.06 0.70 -0.41 1.25 0.00 0.00 0.00 179.25 180.73 3gk0 h HIS 228 N 0.46 1.10 -0.76 0.00 6.17 -0.90 -3.28 115.15 117.95 3gk0 h HIS 228 Ca 0.00 -0.34 0.06 0.00 0.71 0.00 0.00 60.37 60.80 3gk0 h HIS 228 Cb 1.15 -0.23 -0.05 0.00 2.52 0.00 0.00 27.41 30.81 3gk0 h HIS 228 CO 0.05 1.16 0.50 0.00 0.71 0.00 0.00 177.93 180.36 3gk0 h ALA 229 N 0.78 1.65 -0.59 5.26 0.00 -0.53 -1.70 119.26 124.13 3gk0 h ALA 229 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3gk0 h ALA 229 Cb 1.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3gk0 h ALA 229 CO 0.10 0.23 0.40 -0.39 0.00 0.00 0.00 179.25 179.59 3gk0 h VAL 230 N 0.82 0.93 0.03 0.00 -1.51 -1.55 0.34 116.25 115.31 3gk0 h VAL 230 Ca 0.33 -0.16 -0.29 0.00 -1.23 0.00 0.00 66.70 65.35 3gk0 h VAL 230 Cb 0.22 0.43 -0.04 0.00 -2.13 0.00 0.00 31.29 29.78 3gk0 h VAL 230 CO -0.11 0.08 -1.59 -0.26 -1.23 0.00 0.00 177.57 174.46 3gk0 h PHE 231 N 0.46 0.11 0.00 5.19 0.04 -1.50 -3.42 116.94 117.82 3gk0 h PHE 231 Ca 0.27 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3gk0 h PHE 231 Cb 0.46 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3gk0 h PHE 231 CO -0.00 1.13 0.00 1.33 -0.60 0.00 0.00 178.31 180.17 3gk0 n VAL 232 N -3.19 0.00 0.00 -0.55 0.24 -0.96 -5.12 118.33 108.74 3gk0 n VAL 232 Ca -0.15 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3gk0 n VAL 232 Cb 1.03 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.44 3gk0 n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gk0 n GLY 233 N 0.59 0.56 0.24 7.63 0.00 0.12 -4.60 105.19 109.72 3gk0 n GLY 233 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 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 0.74 -0.82 1.61 2.91 -1.94 -1.41 115.95 117.04 3gk0 h TRP 234 Ca 0.00 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 3gk0 h TRP 234 Cb 0.00 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.36 3gk0 h TRP 234 CO 0.00 0.46 0.37 0.22 -1.03 0.00 0.00 178.44 178.46 3gk0 h ASP 235 N 0.80 1.10 -0.13 2.65 3.58 -1.90 -2.28 116.42 120.23 3gk0 h ASP 235 Ca 0.22 -0.15 -0.18 0.00 0.42 0.00 0.00 57.03 57.34 3gk0 h ASP 235 Cb -0.09 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.68 3gk0 h ASP 235 CO -0.05 0.94 -0.59 0.78 -2.88 0.00 0.00 179.24 177.45 3gk0 h ASN 236 N 1.18 0.82 -0.36 2.28 2.35 -1.71 -2.33 115.58 117.81 3gk0 h ASN 236 Ca 0.28 -0.46 -0.12 0.00 -0.55 0.00 0.00 56.30 55.45 3gk0 h ASN 236 Cb 0.16 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3gk0 h ASN 236 CO -0.03 1.22 -0.23 0.00 -1.65 0.00 0.00 177.43 176.74 3gk0 h ALA 237 N 0.79 0.79 0.33 -0.83 0.00 -1.11 -1.84 119.26 117.40 3gk0 h ALA 237 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3gk0 h ALA 237 Cb 1.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3gk0 h ALA 237 CO 0.12 0.65 -0.16 0.28 0.00 0.00 0.00 179.25 180.14 3gk0 h VAL 238 N 0.75 0.54 -0.79 0.00 2.07 -1.45 -2.52 116.25 114.85 3gk0 h VAL 238 Ca 0.10 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 67.03 3gk0 h VAL 238 Cb 0.77 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 3gk0 h VAL 238 CO 0.06 0.11 0.41 -0.09 0.02 0.00 0.00 177.57 178.08 3gk0 h ARG 239 N -0.91 0.63 -0.59 1.57 2.43 -1.44 -1.81 114.38 114.26 3gk0 h ARG 239 Ca -0.05 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3gk0 h ARG 239 Cb 0.52 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3gk0 h ARG 239 CO 0.08 0.42 -0.03 1.49 -1.51 0.00 0.00 179.97 180.41 3gk0 h GLU 240 N 0.65 1.05 -0.22 0.20 4.81 -1.40 -1.00 114.58 118.67 3gk0 h GLU 240 Ca 0.41 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3gk0 h GLU 240 Cb 0.48 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3gk0 h GLU 240 CO -0.31 1.04 0.06 1.98 -0.73 0.00 0.00 179.01 181.06 3gk0 h MET 241 N 0.95 0.34 -0.99 1.92 4.05 -0.92 -1.40 114.93 118.88 3gk0 h MET 241 Ca 0.16 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.55 3gk0 h MET 241 Cb 0.58 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.28 3gk0 h MET 241 CO 0.03 0.43 0.65 -0.22 0.23 0.00 0.00 176.91 178.04 3gk0 h LYS 242 N 0.18 1.21 -0.30 0.39 1.63 -1.27 -1.31 116.57 117.10 3gk0 h LYS 242 Ca 0.07 -0.07 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 3gk0 h LYS 242 Cb 0.24 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3gk0 h LYS 242 CO -0.00 0.80 -0.51 0.00 -3.45 0.00 0.00 179.45 176.30 3gk0 h ALA 243 N 1.41 0.52 -0.82 5.00 0.00 -0.96 -0.48 119.26 123.93 3gk0 h ALA 243 Ca 0.40 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3gk0 h ALA 243 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3gk0 h ALA 243 CO -0.13 0.68 0.54 0.82 0.00 0.00 0.00 179.25 181.16 3gk0 h ILE 244 N 0.67 1.18 -0.36 0.00 2.04 -0.97 -1.04 117.51 119.02 3gk0 h ILE 244 Ca 0.03 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 3gk0 h ILE 244 Cb 1.10 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3gk0 h ILE 244 CO 0.11 0.20 -0.09 0.24 0.00 0.00 0.00 178.15 178.61 3gk0 h MET 245 N 1.08 0.71 -0.40 2.37 2.86 -0.90 -1.88 114.93 118.77 3gk0 h MET 245 Ca 0.31 -0.27 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 3gk0 h MET 245 Cb -0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3gk0 h MET 245 CO -0.09 0.86 -0.22 0.28 1.06 0.00 0.00 176.91 178.80 3gk0 h VAL 246 N 0.50 1.27 -0.64 -2.22 2.07 -1.01 -1.86 116.25 114.37 3gk0 h VAL 246 Ca 0.09 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.18 3gk0 h VAL 246 Cb 0.61 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3gk0 h VAL 246 CO 0.04 0.45 0.05 0.00 0.02 0.00 0.00 177.57 178.13 3gk0 h ALA 247 N 1.05 0.85 -0.25 1.67 0.00 -1.08 -1.09 119.26 120.41 3gk0 h ALA 247 Ca 0.09 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3gk0 h ALA 247 Cb 0.74 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gk0 h ALA 247 CO 0.06 0.66 -0.37 0.00 0.00 0.00 0.00 179.25 179.59 3gk0 h ALA 248 N 1.02 0.39 0.91 0.00 0.00 -1.24 -2.70 119.26 117.64 3gk0 h ALA 248 Ca 0.19 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3gk0 h ALA 248 Cb 0.51 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gk0 h ALA 248 CO 0.02 0.47 -0.44 -0.09 0.00 0.00 0.00 179.25 179.22 3gk0 h ARG 249 N 0.43 -1.18 -0.97 0.00 9.65 -1.25 -1.90 114.38 119.16 3gk0 h ARG 249 Ca 0.03 0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3gk0 h ARG 249 Cb 0.96 0.27 -0.05 0.00 -1.39 0.00 0.00 29.97 29.77 3gk0 h ARG 249 CO 0.09 -0.79 0.64 -0.39 2.80 0.00 0.00 179.97 182.32 3gk0 h VAL 250 N -1.32 1.25 -0.17 0.20 -1.51 -1.29 -1.71 116.25 111.71 3gk0 h VAL 250 Ca -0.13 -0.47 -0.11 0.00 -1.23 0.00 0.00 66.70 64.77 3gk0 h VAL 250 Cb 0.94 -0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 29.92 3gk0 h VAL 250 CO 0.21 0.24 -0.36 0.00 -1.23 0.00 0.00 177.57 176.43 3gk0 h ALA 251 N 1.35 1.07 0.00 5.19 0.00 -1.52 -2.66 119.26 122.69 3gk0 h ALA 251 Ca 0.35 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gk0 h ALA 251 Cb -0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gk0 h ALA 251 CO -0.08 0.58 -0.20 0.00 0.00 0.00 0.00 179.25 179.56 3gk0 h ALA 252 N 1.32 0.97 0.00 0.00 0.00 -0.74 -3.05 119.26 117.77 3gk0 h ALA 252 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gk0 h ALA 252 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gk0 h ALA 252 CO 0.06 0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.49 3gk0 h LEU 253 N 0.00 0.00 -0.43 0.00 3.38 -0.96 -3.50 115.31 113.79 3gk0 h LEU 253 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gk0 h LEU 253 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3gk0 h LEU 253 CO 0.03 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.97