#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk0 h ALA 10 N 0.00 2.47 -2.53 0.00 0.00 -2.00 -3.41 119.26 113.79 3gk0 h ALA 10 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3gk0 h ALA 10 Cb 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.59 3gk0 h ALA 10 CO 0.00 -0.79 -0.15 -1.50 0.00 0.00 0.00 179.25 176.82 3gk0 s ILE 11 N -5.28 0.01 0.09 0.00 2.07 -1.26 -5.01 121.20 111.81 3gk0 s ILE 11 Ca -0.07 -0.05 -0.15 0.00 -1.41 0.00 0.00 60.65 58.97 3gk0 s ILE 11 Cb 0.23 -0.68 -0.06 0.00 0.13 0.00 0.00 42.46 42.07 3gk0 s ILE 11 CO 0.79 -0.03 0.51 -1.81 -1.91 0.00 0.00 174.94 172.49 3gk0 s ASP 12 N 0.01 6.87 -0.19 4.50 1.11 -0.89 -4.90 116.67 123.18 3gk0 s ASP 12 Ca -0.02 1.08 -0.02 0.00 0.18 0.00 0.00 52.55 53.77 3gk0 s ASP 12 Cb -0.03 -2.29 -0.01 0.00 1.07 0.00 0.00 42.92 41.66 3gk0 s ASP 12 CO 0.02 0.21 -0.09 -0.22 1.18 0.00 0.00 175.17 176.27 3gk0 s LEU 13 N -1.52 2.74 -0.24 1.23 2.96 -1.26 -1.80 118.68 120.79 3gk0 s LEU 13 Ca 0.32 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 3gk0 s LEU 13 Cb -0.17 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 3gk0 s LEU 13 CO 0.18 0.03 0.14 -0.83 -1.32 0.00 0.00 176.35 174.55 3gk0 s GLY 14 N 1.18 1.95 -0.23 7.98 0.00 -0.68 -0.52 107.32 117.00 3gk0 s GLY 14 Ca 0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 44.72 43.69 3gk0 s GLY 14 CO -0.03 0.39 0.31 0.14 0.00 0.00 0.00 173.10 173.91 3gk0 s VAL 15 N 1.09 5.25 -0.07 1.40 1.01 -0.45 -0.67 120.40 127.95 3gk0 s VAL 15 Ca 0.07 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 3gk0 s VAL 15 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3gk0 s VAL 15 CO 0.05 0.26 0.46 0.21 0.00 0.00 0.00 175.10 176.07 3gk0 s ASN 16 N 1.23 6.73 0.00 3.32 3.84 0.56 -0.34 114.94 130.28 3gk0 s ASN 16 Ca 0.14 0.87 0.12 0.00 0.21 0.00 0.00 52.86 54.20 3gk0 s ASN 16 Cb -0.15 -2.28 0.19 0.00 -0.55 0.00 0.00 41.25 38.47 3gk0 s ASN 16 CO 0.08 0.11 1.04 2.30 -2.79 0.00 0.00 177.10 177.84 3gk0 n ILE 17 N 3.03 0.39 -0.30 -5.21 -5.35 -0.56 -4.47 119.36 106.89 3gk0 n ILE 17 Ca -0.09 -0.69 0.13 0.00 -0.27 0.00 0.00 62.75 61.82 3gk0 n ILE 17 Cb 0.52 0.96 0.29 0.00 -1.74 0.00 0.00 39.64 39.67 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 2.32 -0.02 0.42 7.28 3.32 -1.94 -1.73 116.42 126.08 3gk0 h ASP 18 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3gk0 h ASP 18 Cb 0.60 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3gk0 h ASP 18 CO 0.00 -0.17 -0.18 1.41 -1.72 0.00 0.00 179.24 178.58 3gk0 n HIS 19 N -5.24 0.00 -0.07 4.55 8.25 -1.26 -1.74 115.22 119.71 3gk0 n HIS 19 Ca 0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.56 3gk0 n HIS 19 Cb 0.69 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 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 0.55 1.26 -0.32 1.59 2.07 -1.66 -3.08 116.25 116.66 3gk0 h VAL 20 Ca 0.00 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 3gk0 h VAL 20 Cb 0.42 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3gk0 h VAL 20 CO 0.00 0.27 0.12 0.00 0.02 0.00 0.00 177.57 177.99 3gk0 h ALA 21 N 0.78 1.63 -0.36 1.67 0.00 -1.32 -2.13 119.26 119.53 3gk0 h ALA 21 Ca 0.06 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3gk0 h ALA 21 Cb 0.41 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3gk0 h ALA 21 CO 0.01 0.30 0.12 1.15 0.00 0.00 0.00 179.25 180.83 3gk0 h THR 22 N 0.44 0.89 -0.34 0.00 2.02 -1.29 0.22 112.91 114.84 3gk0 h THR 22 Ca 0.11 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3gk0 h THR 22 Cb 0.10 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3gk0 h THR 22 CO -0.01 0.05 0.22 -0.07 0.37 0.00 0.00 175.52 176.08 3gk0 h LEU 23 N 0.27 0.40 -0.09 2.58 4.07 -1.35 -2.48 115.31 118.70 3gk0 h LEU 23 Ca 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3gk0 h LEU 23 Cb 0.15 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 3gk0 h LEU 23 CO -0.18 0.31 0.06 -0.09 -1.08 0.00 0.00 178.44 177.46 3gk0 h ARG 24 N 0.46 0.12 0.00 1.13 2.43 -0.96 -3.00 114.38 114.57 3gk0 h ARG 24 Ca 0.13 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3gk0 h ARG 24 Cb -0.03 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3gk0 h ARG 24 CO -0.03 0.08 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.52 3gk0 h ASN 25 N 0.12 0.00 0.45 -3.80 4.21 -0.46 -1.45 115.58 114.66 3gk0 h ASN 25 Ca 0.03 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.51 3gk0 h ASN 25 Cb -0.01 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.18 3gk0 h ASN 25 CO -0.01 0.09 -0.17 0.00 -1.29 0.00 0.00 177.43 176.05 3gk0 h ALA 26 N 1.91 1.26 0.00 -0.83 0.00 -1.29 -3.30 119.26 117.02 3gk0 h ALA 26 Ca -0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.43 3gk0 h ALA 26 Cb 0.35 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3gk0 h ALA 26 CO 0.01 0.21 -2.24 -2.13 0.00 0.00 0.00 179.25 175.10 3gk0 n ARG 27 N -3.67 0.54 -0.30 0.00 3.00 -0.65 -5.03 116.66 110.54 3gk0 n ARG 27 Ca -0.02 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 3gk0 n ARG 27 Cb 0.29 -1.43 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 2.46 0.73 3.49 5.14 0.00 -0.64 -5.09 105.19 111.29 3gk0 n GLY 28 Ca -0.38 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.12 0.00 1.94 2.61 -2.24 -1.26 -4.99 114.28 108.22 3gk0 n THR 29 Ca 0.00 -1.39 0.12 0.00 -2.27 0.00 0.00 64.05 60.52 3gk0 n THR 29 Cb 0.00 -0.98 0.72 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.96 2.64 -2.43 6.98 0.00 -1.26 -4.77 120.51 118.70 3gk0 n ALA 30 Ca -0.15 -0.19 -0.27 0.00 0.00 0.00 0.00 53.44 52.83 3gk0 n ALA 30 Cb 0.53 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.99 1.99 0.30 0.00 1.51 -1.26 -3.25 117.35 114.66 3gk0 s TYR 31 Ca 0.37 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.75 3gk0 s TYR 31 Cb 0.17 -1.19 -0.10 0.00 -0.11 0.00 0.00 41.96 40.73 3gk0 s TYR 31 CO 0.29 0.10 1.41 -1.25 -1.11 0.00 0.00 175.55 174.99 3gk0 s PRO 32 N -1.17 4.26 -0.37 -1.71 0.04 -1.26 -4.24 135.00 130.55 3gk0 s PRO 32 Ca 0.09 2.33 -0.25 0.00 0.04 0.00 0.00 61.00 63.21 3gk0 s PRO 32 Cb -0.09 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.39 3gk0 s PRO 32 CO 0.02 -0.37 0.89 0.34 0.04 0.00 0.00 177.00 177.92 3gk0 s ASP 33 N -0.01 6.63 0.48 6.66 2.15 -1.20 -4.46 116.67 126.92 3gk0 s ASP 33 Ca 0.55 0.49 0.16 0.00 0.43 0.00 0.00 52.55 54.18 3gk0 s ASP 33 Cb -0.42 -2.44 1.16 0.00 -0.30 0.00 0.00 42.92 40.92 3gk0 s ASP 33 CO 0.50 -0.83 2.06 -0.65 -0.17 0.00 0.00 175.17 176.08 3gk0 h PRO 34 N 8.51 0.20 -0.21 4.34 0.11 -1.88 -1.80 132.00 141.26 3gk0 h PRO 34 Ca -0.24 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 3gk0 h PRO 34 Cb 1.08 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3gk0 h PRO 34 CO 0.96 0.13 -0.13 0.28 -0.21 0.00 0.00 178.00 179.04 3gk0 h VAL 35 N 0.20 1.31 -0.30 3.15 2.07 -1.92 -0.94 116.25 119.83 3gk0 h VAL 35 Ca 0.15 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3gk0 h VAL 35 Cb 0.32 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3gk0 h VAL 35 CO -0.02 0.37 0.14 -0.09 0.02 0.00 0.00 177.57 177.98 3gk0 h ARG 36 N 0.16 0.28 -0.80 1.57 2.43 -1.89 -2.41 114.38 113.72 3gk0 h ARG 36 Ca 0.04 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.36 3gk0 h ARG 36 Cb 0.63 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.02 3gk0 h ARG 36 CO 0.04 0.19 0.32 0.00 -1.51 0.00 0.00 179.97 179.00 3gk0 h ALA 37 N 1.16 1.16 -0.25 2.80 0.00 -1.07 -0.80 119.26 122.26 3gk0 h ALA 37 Ca 0.13 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3gk0 h ALA 37 Cb 0.05 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gk0 h ALA 37 CO -0.10 -0.24 -0.32 0.00 0.00 0.00 0.00 179.25 178.59 3gk0 h ALA 38 N 1.60 0.38 -0.11 0.00 0.00 -0.85 -1.23 119.26 119.05 3gk0 h ALA 38 Ca 0.45 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3gk0 h ALA 38 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3gk0 h ALA 38 CO -0.44 0.42 -0.65 -0.07 0.00 0.00 0.00 179.25 178.50 3gk0 h LEU 39 N 0.38 0.49 -1.02 0.00 3.38 -1.12 -2.62 115.31 114.80 3gk0 h LEU 39 Ca 0.03 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 3gk0 h LEU 39 Cb 0.89 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3gk0 h LEU 39 CO 0.08 1.01 -0.35 0.00 0.09 0.00 0.00 178.44 179.27 3gk0 h ALA 40 N 0.99 1.18 -0.54 1.53 0.00 -1.15 -2.38 119.26 118.88 3gk0 h ALA 40 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3gk0 h ALA 40 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3gk0 h ALA 40 CO 0.11 0.55 0.06 0.00 0.00 0.00 0.00 179.25 179.97 3gk0 h ALA 41 N 1.42 0.72 -0.63 0.00 0.00 -0.99 -1.91 119.26 117.87 3gk0 h ALA 41 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3gk0 h ALA 41 Cb 0.73 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3gk0 h ALA 41 CO 0.06 0.49 0.31 0.93 0.00 0.00 0.00 179.25 181.04 3gk0 h GLU 42 N 0.80 0.88 0.00 0.00 5.08 -1.32 -1.65 114.58 118.36 3gk0 h GLU 42 Ca 0.16 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3gk0 h GLU 42 Cb 0.44 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3gk0 h GLU 42 CO 0.02 0.67 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.10 3gk0 h ASP 43 N 0.88 0.00 -0.65 1.42 3.32 -0.89 -2.95 116.42 117.54 3gk0 h ASP 43 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gk0 h ASP 43 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3gk0 h ASP 43 CO -0.03 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 3gk0 n ALA 44 N -2.21 2.44 0.00 3.45 0.00 -0.77 -4.96 120.51 118.46 3gk0 n ALA 44 Ca -0.00 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3gk0 n ALA 44 Cb 0.35 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.37 1.01 3.77 0.00 0.00 -1.04 -3.70 105.19 106.60 3gk0 n GLY 45 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 3.45 -0.60 4.61 0.00 -0.68 -4.81 121.76 121.73 3gk0 s ALA 46 Ca 0.00 1.37 0.22 0.00 0.00 0.00 0.00 51.96 53.55 3gk0 s ALA 46 Cb 0.00 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 3gk0 s ALA 46 CO 0.00 -0.86 0.84 -0.25 0.00 0.00 0.00 175.76 175.49 3gk0 n ASP 47 N 0.47 0.59 -3.49 0.00 8.00 0.32 -4.55 116.55 117.89 3gk0 n ASP 47 Ca 0.01 -0.44 -0.14 0.00 0.71 0.00 0.00 54.79 54.94 3gk0 n ASP 47 Cb 0.41 1.19 -0.04 0.00 -0.02 0.00 0.00 41.12 42.66 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 -3.21 -1.54 -0.13 2.24 0.00 -1.13 -3.46 121.76 114.52 3gk0 s ALA 48 Ca 0.02 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 3gk0 s ALA 48 Cb 0.15 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 3gk0 s ALA 48 CO 0.85 -0.62 -0.11 0.42 0.00 0.00 0.00 175.76 176.30 3gk0 s ILE 49 N -2.93 3.26 -0.08 0.00 -1.09 0.03 -1.35 121.20 119.05 3gk0 s ILE 49 Ca -0.03 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 3gk0 s ILE 49 Cb -0.01 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 3gk0 s ILE 49 CO -0.06 0.52 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.22 3gk0 s THR 50 N 0.24 3.71 -0.09 2.92 2.01 0.54 -0.30 115.64 124.66 3gk0 s THR 50 Ca -0.07 -0.47 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 3gk0 s THR 50 Cb -0.15 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 69.87 3gk0 s THR 50 CO 0.05 0.59 0.36 -1.48 -0.69 0.00 0.00 174.62 173.44 3gk0 s LEU 51 N -0.65 0.64 -0.37 4.42 2.34 -0.41 -1.49 118.68 123.15 3gk0 s LEU 51 Ca 0.10 0.50 0.03 0.00 0.06 0.00 0.00 54.13 54.81 3gk0 s LEU 51 Cb -0.11 1.32 0.11 0.00 -0.56 0.00 0.00 46.19 46.94 3gk0 s LEU 51 CO 0.02 -0.27 0.11 -2.28 -1.06 0.00 0.00 176.35 172.87 3gk0 s HIS 52 N -0.43 3.68 -0.82 3.48 5.65 -1.26 -0.21 115.29 125.38 3gk0 s HIS 52 Ca -0.06 -2.90 -0.25 0.00 0.25 0.00 0.00 55.06 52.10 3gk0 s HIS 52 Cb -0.04 -2.98 0.01 0.00 -1.18 0.00 0.00 32.58 28.39 3gk0 s HIS 52 CO 0.02 -0.93 1.61 -1.17 -0.65 0.00 0.00 174.74 173.61 3gk0 s LEU 53 N 0.82 3.28 0.60 8.88 0.20 -1.14 -4.37 118.68 126.96 3gk0 s LEU 53 Ca 0.11 -0.58 -0.16 0.00 0.69 0.00 0.00 54.13 54.19 3gk0 s LEU 53 Cb -0.20 -2.56 -0.03 0.00 -0.43 0.00 0.00 46.19 42.97 3gk0 s LEU 53 CO -0.06 -2.08 1.07 -0.13 -0.29 0.00 0.00 176.35 174.86 3gk0 s ARG 54 N 6.12 3.25 0.37 1.98 0.52 -1.26 -4.70 118.95 125.23 3gk0 s ARG 54 Ca 0.53 1.24 0.06 0.00 -0.52 0.00 0.00 55.73 57.04 3gk0 s ARG 54 Cb -0.07 -2.02 0.72 0.00 0.52 0.00 0.00 34.95 34.11 3gk0 s ARG 54 CO 0.06 -0.87 1.96 1.49 0.02 0.00 0.00 175.30 177.97 3gk0 h GLU 55 N 0.42 0.53 -0.07 3.54 4.81 -1.97 -1.82 114.58 120.03 3gk0 h GLU 55 Ca -0.47 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3gk0 h GLU 55 Cb 1.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3gk0 h GLU 55 CO 0.57 0.46 0.00 -0.40 -0.73 0.00 0.00 179.01 178.91 3gk0 n ASP 56 N -4.37 0.75 -4.05 1.04 5.68 -1.26 -4.94 116.55 109.39 3gk0 n ASP 56 Ca 0.02 -1.52 -0.31 0.00 -0.50 0.00 0.00 54.79 52.48 3gk0 n ASP 56 Cb 0.16 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.08 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 -0.30 -3.73 -0.13 0.11 5.12 -0.68 -4.89 116.66 112.15 3gk0 n ARG 57 Ca 0.16 0.44 -0.12 0.00 -1.93 0.00 0.00 57.85 56.39 3gk0 n ARG 57 Cb 0.19 -4.98 -0.02 0.00 -1.16 0.00 0.00 32.46 26.49 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 -1.74 0.86 0.00 5.56 2.43 -1.92 -3.44 114.38 116.13 3gk0 h ARG 58 Ca -0.60 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.18 3gk0 h ARG 58 Cb 1.38 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3gk0 h ARG 58 CO 0.70 1.03 0.00 -2.39 -1.51 0.00 0.00 179.97 177.80 3gk0 n HIS 59 N -4.21 0.00 -1.96 2.20 1.44 -1.26 -4.89 115.22 106.54 3gk0 n HIS 59 Ca -0.01 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.28 3gk0 n HIS 59 Cb 0.44 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.53 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 2.49 0.37 0.61 -1.09 -1.26 -4.81 121.20 117.50 3gk0 s ILE 60 Ca 0.00 0.43 0.08 0.00 -2.23 0.00 0.00 60.65 58.93 3gk0 s ILE 60 Cb 0.00 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.55 3gk0 s ILE 60 CO 0.00 0.07 0.03 0.68 -1.23 0.00 0.00 174.94 174.49 3gk0 s VAL 61 N -0.18 2.41 0.26 2.92 -7.23 -1.26 -4.49 120.40 112.83 3gk0 s VAL 61 Ca 0.59 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 3gk0 s VAL 61 Cb -0.43 -2.85 0.24 0.00 0.56 0.00 0.00 36.38 33.90 3gk0 s VAL 61 CO 0.46 -0.13 1.83 0.44 -0.31 0.00 0.00 175.10 177.39 3gk0 h ASP 62 N 1.76 0.81 -0.09 4.85 5.19 -1.97 -1.48 116.42 125.50 3gk0 h ASP 62 Ca -0.43 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 55.97 3gk0 h ASP 62 Cb 1.25 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3gk0 h ASP 62 CO 0.70 0.46 -0.09 0.00 -3.12 0.00 0.00 179.24 177.19 3gk0 h ALA 63 N 1.48 1.41 -0.39 3.45 0.00 -1.98 -0.89 119.26 122.34 3gk0 h ALA 63 Ca 0.43 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3gk0 h ALA 63 Cb 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3gk0 h ALA 63 CO -0.24 0.41 0.23 -0.44 0.00 0.00 0.00 179.25 179.20 3gk0 h ASP 64 N 0.36 0.36 -0.27 0.00 3.45 -1.68 -0.73 116.42 117.92 3gk0 h ASP 64 Ca 0.07 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.48 3gk0 h ASP 64 Cb 0.38 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 3gk0 h ASP 64 CO 0.02 0.26 -0.04 0.58 -1.57 0.00 0.00 179.24 178.49 3gk0 h VAL 65 N 0.46 1.27 -0.67 -1.35 2.07 -1.30 -2.16 116.25 114.58 3gk0 h VAL 65 Ca 0.15 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 3gk0 h VAL 65 Cb 0.01 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3gk0 h VAL 65 CO -0.07 0.32 0.09 0.03 0.02 0.00 0.00 177.57 177.96 3gk0 h ARG 66 N 0.26 1.11 -0.27 1.57 3.08 -1.10 -1.56 114.38 117.47 3gk0 h ARG 66 Ca 0.07 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 3gk0 h ARG 66 Cb 0.49 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3gk0 h ARG 66 CO 0.02 1.03 -0.07 1.15 -1.07 0.00 0.00 179.97 181.02 3gk0 h THR 67 N 1.04 1.28 -0.51 2.04 2.02 -1.15 -3.29 112.91 114.34 3gk0 h THR 67 Ca 0.20 -1.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 3gk0 h THR 67 Cb 0.46 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3gk0 h THR 67 CO 0.02 0.35 -0.10 0.25 0.37 0.00 0.00 175.52 176.40 3gk0 h LEU 68 N 0.28 0.93 -0.42 2.58 5.85 -1.27 -3.36 115.31 119.91 3gk0 h LEU 68 Ca 0.07 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.57 3gk0 h LEU 68 Cb 0.55 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3gk0 h LEU 68 CO 0.03 1.05 0.01 -0.09 -0.34 0.00 0.00 178.44 179.10 3gk0 h ARG 69 N 0.84 0.12 0.00 1.25 9.65 -1.35 -0.07 114.38 124.81 3gk0 h ARG 69 Ca 0.13 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3gk0 h ARG 69 Cb 0.64 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3gk0 h ARG 69 CO 0.04 0.08 0.00 -0.35 2.80 0.00 0.00 179.97 182.54 3gk0 n PRO 70 N -5.19 0.07 -0.08 0.20 -0.04 -1.26 -3.93 135.00 124.77 3gk0 n PRO 70 Ca 0.03 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 3gk0 n PRO 70 Cb 0.22 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3gk0 n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gk0 n ARG 71 N -1.46 0.64 -0.80 0.54 5.12 -0.15 -4.97 116.66 115.57 3gk0 n ARG 71 Ca 0.07 0.39 -0.31 0.00 -1.93 0.00 0.00 57.85 56.07 3gk0 n ARG 71 Cb 0.27 -1.68 -0.04 0.00 -1.16 0.00 0.00 32.46 29.85 3gk0 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3gk0 n VAL 72 N -4.00 0.00 0.66 1.55 0.31 -0.53 -4.88 118.33 111.45 3gk0 n VAL 72 Ca -0.37 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.07 3gk0 n VAL 72 Cb 0.86 -0.14 -0.04 0.00 -0.91 0.00 0.00 33.84 33.61 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 1.44 0.22 0.00 5.55 0.00 -1.26 -4.89 118.16 119.22 3gk0 n LYS 73 Ca 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 3gk0 n LYS 73 Cb -0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 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 -1.81 0.00 -4.51 0.58 -2.24 -1.26 -5.14 114.28 99.90 3gk0 n THR 74 Ca 0.02 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 3gk0 n THR 74 Cb 0.41 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 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 2.01 0.97 -0.18 -0.78 0.52 -1.23 -5.03 118.95 115.23 3gk0 s ARG 75 Ca 0.00 -0.48 -0.14 0.00 -0.52 0.00 0.00 55.73 54.59 3gk0 s ARG 75 Cb 0.00 -0.94 -0.04 0.00 0.52 0.00 0.00 34.95 34.48 3gk0 s ARG 75 CO 0.00 0.25 0.32 1.41 0.02 0.00 0.00 175.30 177.31 3gk0 s MET 76 N -0.41 4.21 -0.36 3.54 -2.45 -1.26 -0.79 119.30 121.78 3gk0 s MET 76 Ca 0.04 0.10 -0.07 0.00 -1.25 0.00 0.00 55.69 54.51 3gk0 s MET 76 Cb -0.05 -3.48 0.05 0.00 1.25 0.00 0.00 34.83 32.60 3gk0 s MET 76 CO -0.00 0.11 0.15 1.21 1.05 0.00 0.00 175.02 177.53 3gk0 s ASN 77 N 0.77 5.40 -0.28 1.11 2.47 0.59 -1.62 114.94 123.39 3gk0 s ASN 77 Ca 0.17 -1.27 -0.16 0.00 0.42 0.00 0.00 52.86 52.02 3gk0 s ASN 77 Cb -0.14 -1.90 -0.03 0.00 -1.45 0.00 0.00 41.25 37.73 3gk0 s ASN 77 CO 0.06 -0.39 0.41 -0.22 -3.72 0.00 0.00 177.10 173.24 3gk0 s LEU 78 N 1.40 4.09 0.02 3.21 0.20 -0.42 -1.28 118.68 125.90 3gk0 s LEU 78 Ca 0.00 0.27 -0.21 0.00 0.69 0.00 0.00 54.13 54.88 3gk0 s LEU 78 Cb -0.20 -2.48 -0.06 0.00 -0.43 0.00 0.00 46.19 43.02 3gk0 s LEU 78 CO 0.02 -0.24 0.62 -1.61 -0.29 0.00 0.00 176.35 174.86 3gk0 s GLU 79 N 2.14 4.33 0.08 1.98 2.02 0.71 -0.97 118.70 128.99 3gk0 s GLU 79 Ca 0.16 0.80 -0.26 0.00 0.02 0.00 0.00 54.97 55.69 3gk0 s GLU 79 Cb -0.16 -3.32 0.08 0.00 0.10 0.00 0.00 34.13 30.83 3gk0 s GLU 79 CO 0.10 0.42 0.71 0.00 0.02 0.00 0.00 175.26 176.51 3gk0 s ALA 81 N -3.23 2.34 -1.18 0.00 0.00 -1.25 -2.37 121.76 116.07 3gk0 s ALA 81 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 3gk0 s ALA 81 Cb -0.01 -3.06 0.22 0.00 0.00 0.00 0.00 23.12 20.28 3gk0 s ALA 81 CO -0.09 -1.71 1.43 0.28 0.00 0.00 0.00 175.76 175.66 3gk0 n VAL 82 N -3.40 4.52 -4.03 0.00 0.31 -1.26 -4.42 118.33 110.06 3gk0 n VAL 82 Ca 0.07 -5.03 -0.08 0.00 -0.01 0.00 0.00 64.34 59.29 3gk0 n VAL 82 Cb 0.58 -2.43 -0.10 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 -0.08 0.16 0.16 2.52 -4.23 -1.26 -5.03 115.64 107.88 3gk0 s THR 83 Ca 0.37 -1.33 -0.16 0.00 -1.18 0.00 0.00 61.69 59.39 3gk0 s THR 83 Cb -0.02 -0.87 0.04 0.00 1.34 0.00 0.00 72.50 72.99 3gk0 s THR 83 CO -0.01 -0.73 1.73 -0.65 -0.54 0.00 0.00 174.62 174.42 3gk0 h PRO 84 N 3.91 0.21 -0.15 3.99 0.11 -1.98 -0.58 132.00 137.49 3gk0 h PRO 84 Ca -0.33 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.82 3gk0 h PRO 84 Cb 1.18 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3gk0 h PRO 84 CO 0.53 0.14 -0.22 1.49 -0.21 0.00 0.00 178.00 179.72 3gk0 h GLU 85 N 0.21 -0.26 -0.17 1.05 4.81 -1.98 -0.29 114.58 117.95 3gk0 h GLU 85 Ca 0.17 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 3gk0 h GLU 85 Cb 0.19 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3gk0 h GLU 85 CO -0.22 -0.17 -0.42 0.52 -0.73 0.00 0.00 179.01 177.99 3gk0 h MET 86 N -0.27 0.59 -0.48 1.92 2.86 -1.83 -2.38 114.93 115.33 3gk0 h MET 86 Ca 0.11 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 3gk0 h MET 86 Cb 0.43 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3gk0 h MET 86 CO -0.31 1.02 0.25 -0.07 1.06 0.00 0.00 176.91 178.86 3gk0 h LEU 87 N 0.24 0.59 -0.31 1.22 3.38 -0.95 -0.58 115.31 118.91 3gk0 h LEU 87 Ca -0.00 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3gk0 h LEU 87 Cb 1.03 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3gk0 h LEU 87 CO 0.09 0.49 -0.44 0.44 0.09 0.00 0.00 178.44 179.11 3gk0 h ASP 88 N 0.67 0.93 -0.59 -0.43 3.32 -0.98 -1.29 116.42 118.04 3gk0 h ASP 88 Ca 0.17 -0.51 0.02 0.00 0.02 0.00 0.00 57.03 56.74 3gk0 h ASP 88 Cb 0.04 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 3gk0 h ASP 88 CO -0.03 1.25 0.37 0.40 -1.72 0.00 0.00 179.24 179.51 3gk0 h ILE 89 N 0.63 1.09 -0.80 0.35 2.04 -0.88 -1.20 117.51 118.73 3gk0 h ILE 89 Ca 0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3gk0 h ILE 89 Cb 1.04 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3gk0 h ILE 89 CO 0.10 0.13 0.46 0.00 0.00 0.00 0.00 178.15 178.85 3gk0 h ALA 90 N 1.25 1.02 -0.01 1.87 0.00 -0.95 -1.28 119.26 121.16 3gk0 h ALA 90 Ca 0.23 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3gk0 h ALA 90 Cb -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3gk0 h ALA 90 CO -0.09 0.51 -0.52 0.00 0.00 0.00 0.00 179.25 179.15 3gk0 h GLU 92 N 0.01 0.35 -0.00 0.00 4.81 -0.85 -3.30 114.58 115.61 3gk0 h GLU 92 Ca -0.00 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.91 3gk0 h GLU 92 Cb 0.93 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 3gk0 h GLU 92 CO 0.07 0.63 -0.80 0.82 -0.73 0.00 0.00 179.01 179.00 3gk0 h ILE 93 N 0.05 1.53 -5.81 2.32 2.04 -1.10 -3.48 117.51 113.07 3gk0 h ILE 93 Ca 0.04 -2.62 -0.34 0.00 1.00 0.00 0.00 64.86 62.94 3gk0 h ILE 93 Cb 0.51 2.43 0.14 0.00 -0.74 0.00 0.00 36.82 39.15 3gk0 h ILE 93 CO 0.02 0.75 -0.86 0.54 0.00 0.00 0.00 178.15 178.60 3gk0 n ARG 94 N -3.64 -3.12 -1.22 2.37 1.74 0.17 -4.96 116.66 107.99 3gk0 n ARG 94 Ca -0.02 0.71 -0.32 0.00 -0.77 0.00 0.00 57.85 57.45 3gk0 n ARG 94 Cb 0.76 -5.27 0.11 0.00 -1.02 0.00 0.00 32.46 27.04 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 -5.26 1.97 0.29 5.56 0.04 -1.26 -4.90 135.00 131.44 3gk0 s PRO 95 Ca 0.31 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 3gk0 s PRO 95 Cb -0.07 -1.84 0.44 0.00 0.04 0.00 0.00 34.50 33.07 3gk0 s PRO 95 CO 0.78 -1.90 1.87 0.45 0.04 0.00 0.00 177.00 178.24 3gk0 h HIS 96 N -0.97 0.86 -3.97 0.56 3.86 -1.88 -3.42 115.15 110.20 3gk0 h HIS 96 Ca -0.45 -0.06 -0.37 0.00 -1.16 0.00 0.00 60.37 58.34 3gk0 h HIS 96 Cb 1.26 -0.26 -0.22 0.00 1.06 0.00 0.00 27.41 29.24 3gk0 h HIS 96 CO 0.53 0.68 -0.77 -0.51 0.86 0.00 0.00 177.93 178.72 3gk0 s ASP 97 N -6.54 1.34 0.04 2.45 1.01 -0.64 -1.77 116.67 112.56 3gk0 s ASP 97 Ca -0.10 -0.53 0.03 0.00 0.71 0.00 0.00 52.55 52.66 3gk0 s ASP 97 Cb 0.16 -0.03 -0.02 0.00 1.01 0.00 0.00 42.92 44.03 3gk0 s ASP 97 CO 0.79 -0.09 -0.10 0.00 0.21 0.00 0.00 175.17 175.98 3gk0 s ALA 98 N -1.16 0.79 -0.13 5.23 0.00 -0.49 -1.29 121.76 124.71 3gk0 s ALA 98 Ca -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3gk0 s ALA 98 Cb -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3gk0 s ALA 98 CO 0.01 0.08 -0.11 0.00 0.00 0.00 0.00 175.76 175.74 3gk0 s LEU 100 N 1.56 4.21 0.13 0.00 1.43 0.73 -1.94 118.68 124.80 3gk0 s LEU 100 Ca 0.04 1.27 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 3gk0 s LEU 100 Cb -0.13 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3gk0 s LEU 100 CO -0.09 -0.37 -0.13 0.68 0.23 0.00 0.00 176.35 176.67 3gk0 s VAL 101 N 1.92 1.32 0.05 -1.59 -7.23 -1.00 -1.70 120.40 112.17 3gk0 s VAL 101 Ca 0.41 -1.79 -0.23 0.00 -1.81 0.00 0.00 61.98 58.56 3gk0 s VAL 101 Cb -0.17 -1.60 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3gk0 s VAL 101 CO 0.15 -0.48 0.69 -2.16 -0.31 0.00 0.00 175.10 172.99 3gk0 s PRO 102 N -2.88 4.42 -0.01 4.82 0.04 -1.26 -3.94 135.00 136.18 3gk0 s PRO 102 Ca 0.11 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.15 3gk0 s PRO 102 Cb -0.04 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 3gk0 s PRO 102 CO 0.03 0.40 0.16 0.39 0.04 0.00 0.00 177.00 178.02 3gk0 n GLU 103 N 2.44 1.22 -4.31 4.56 1.02 -1.26 -4.99 120.64 119.31 3gk0 n GLU 103 Ca -0.05 -0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.73 3gk0 n GLU 103 Cb 0.50 -1.07 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 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 -2.24 2.46 0.48 3.49 1.02 -1.26 -5.02 119.74 118.67 3gk0 s LYS 104 Ca -0.01 -0.82 0.17 0.00 0.02 0.00 0.00 55.97 55.34 3gk0 s LYS 104 Cb 0.04 -2.47 1.19 0.00 -0.52 0.00 0.00 37.83 36.07 3gk0 s LYS 104 CO 0.25 0.57 2.04 -0.09 -0.92 0.00 0.00 175.35 177.20 3gk0 h ARG 105 N 4.03 0.18 0.00 1.68 1.12 -1.96 0.12 114.38 119.56 3gk0 h ARG 105 Ca -0.48 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 3gk0 h ARG 105 Cb 1.17 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 3gk0 h ARG 105 CO 0.55 0.12 0.00 -1.13 -3.11 0.00 0.00 179.97 176.40 3gk0 n SER 106 N -4.46 0.30 0.00 -3.80 3.41 -1.26 -2.71 113.62 105.11 3gk0 n SER 106 Ca 0.06 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 3gk0 n SER 106 Cb 0.35 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.83 0.11 -4.35 4.33 1.02 0.42 -4.97 120.64 115.37 3gk0 n GLU 107 Ca 0.03 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 3gk0 n GLU 107 Cb 0.20 -1.52 -0.12 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.28 2.61 1.03 -4.62 2.34 -1.10 -0.57 118.68 115.09 3gk0 s LEU 108 Ca 0.06 -0.59 -0.15 0.00 0.06 0.00 0.00 54.13 53.51 3gk0 s LEU 108 Cb 0.16 -1.47 0.21 0.00 -0.56 0.00 0.00 46.19 44.52 3gk0 s LEU 108 CO 0.84 0.18 1.17 0.42 -1.06 0.00 0.00 176.35 177.90 3gk0 s THR 109 N -1.11 1.87 0.33 5.48 -4.23 -0.75 -4.83 115.64 112.40 3gk0 s THR 109 Ca 0.17 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 3gk0 s THR 109 Cb -0.10 -2.70 0.09 0.00 1.34 0.00 0.00 72.50 71.12 3gk0 s THR 109 CO 0.09 0.00 1.79 0.71 -0.54 0.00 0.00 174.62 176.67 3gk0 h THR 110 N -1.92 1.25 -0.00 3.99 1.35 -1.96 -2.28 112.91 113.34 3gk0 h THR 110 Ca -0.48 -1.18 -0.07 0.00 -0.55 0.00 0.00 66.41 64.13 3gk0 h THR 110 Cb 1.30 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 3gk0 h THR 110 CO 0.47 0.36 -0.35 -0.08 -0.25 0.00 0.00 175.52 175.67 3gk0 h GLU 111 N 0.27 0.00 0.00 4.72 4.81 -2.04 -3.47 114.58 118.87 3gk0 h GLU 111 Ca 0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3gk0 h GLU 111 Cb 0.61 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3gk0 h GLU 111 CO 0.04 0.35 0.00 0.41 -0.73 0.00 0.00 179.01 179.09 3gk0 n GLY 112 N -0.52 0.87 3.81 1.92 0.00 -0.86 -4.96 105.19 105.46 3gk0 n GLY 112 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.59 1.58 0.16 -0.02 0.00 -1.26 -4.70 107.32 102.49 3gk0 s GLY 113 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 44.72 43.84 3gk0 s GLY 113 CO 0.00 -0.01 1.49 -2.27 0.00 0.00 0.00 173.10 172.31 3gk0 s LEU 114 N -5.96 4.37 -1.28 0.66 2.96 0.10 -1.81 118.68 117.73 3gk0 s LEU 114 Ca 0.64 2.54 -0.17 0.00 -0.22 0.00 0.00 54.13 56.92 3gk0 s LEU 114 Cb -0.14 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 43.05 3gk0 s LEU 114 CO 0.53 -0.75 1.66 -0.67 -1.32 0.00 0.00 176.35 175.80 3gk0 n ASP 115 N 3.70 5.01 0.16 3.68 4.64 0.27 -4.74 116.55 129.27 3gk0 n ASP 115 Ca 0.12 -2.94 0.00 0.00 -1.38 0.00 0.00 54.79 50.60 3gk0 n ASP 115 Cb 0.40 -1.70 0.24 0.00 -1.04 0.00 0.00 41.12 39.02 3gk0 n ASP 115 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3gk0 h VAL 116 N 5.28 1.38 -0.15 5.18 2.07 -1.90 -2.46 116.25 125.65 3gk0 h VAL 116 Ca 0.42 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 3gk0 h VAL 116 Cb 0.87 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3gk0 h VAL 116 CO 1.41 0.51 -0.01 0.58 0.02 0.00 0.00 177.57 180.08 3gk0 h VAL 117 N 0.00 1.27 0.00 2.57 2.07 -1.91 -1.66 116.25 118.59 3gk0 h VAL 117 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3gk0 h VAL 117 Cb 0.92 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3gk0 h VAL 117 CO 0.07 0.26 0.00 1.23 0.02 0.00 0.00 177.57 179.15 3gk0 h GLY 118 N -0.01 0.00 -4.49 2.17 0.00 -1.95 -3.29 103.07 95.50 3gk0 h GLY 118 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.02 3gk0 h GLY 118 CO 0.01 0.00 -0.98 1.42 0.00 0.00 0.00 176.54 176.99 3gk0 n HIS 119 N -2.49 1.72 -0.09 5.60 8.25 -0.93 -4.95 115.22 122.32 3gk0 n HIS 119 Ca 0.03 -2.06 -0.08 0.00 -0.26 0.00 0.00 57.72 55.35 3gk0 n HIS 119 Cb 0.36 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 2.30 0.32 -0.14 4.41 3.57 -1.38 -0.79 116.94 125.24 3gk0 h PHE 120 Ca 0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3gk0 h PHE 120 Cb 1.40 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 3gk0 h PHE 120 CO 0.63 0.18 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.44 3gk0 h ASP 121 N 0.36 0.25 -0.56 0.41 3.32 -1.92 0.29 116.42 118.56 3gk0 h ASP 121 Ca 0.13 -0.32 0.06 0.00 0.02 0.00 0.00 57.03 56.92 3gk0 h ASP 121 Cb 0.03 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 3gk0 h ASP 121 CO -0.08 0.51 0.28 0.00 -1.72 0.00 0.00 179.24 178.22 3gk0 h ALA 122 N 0.75 0.73 -0.25 3.45 0.00 -1.94 -0.44 119.26 121.55 3gk0 h ALA 122 Ca 0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3gk0 h ALA 122 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gk0 h ALA 122 CO 0.01 -0.08 -0.15 0.28 0.00 0.00 0.00 179.25 179.30 3gk0 h VAL 123 N 0.52 1.30 -0.58 0.00 2.07 -1.00 -1.62 116.25 116.95 3gk0 h VAL 123 Ca 0.26 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3gk0 h VAL 123 Cb 0.20 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3gk0 h VAL 123 CO -0.19 0.39 0.35 -0.09 0.02 0.00 0.00 177.57 178.05 3gk0 h ARG 124 N 0.28 0.78 -0.17 1.57 2.43 -0.23 -0.47 114.38 118.57 3gk0 h ARG 124 Ca 0.05 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3gk0 h ARG 124 Cb 0.68 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3gk0 h ARG 124 CO 0.04 0.55 -0.32 0.00 -1.51 0.00 0.00 179.97 178.74 3gk0 h ALA 125 N 1.58 0.26 -0.69 2.80 0.00 -0.99 -2.16 119.26 120.07 3gk0 h ALA 125 Ca 0.21 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.83 3gk0 h ALA 125 Cb -0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 3gk0 h ALA 125 CO -0.04 0.30 0.20 0.00 0.00 0.00 0.00 179.25 179.71 3gk0 h ALA 126 N 0.57 0.89 -0.91 0.00 0.00 -1.04 -0.09 119.26 118.69 3gk0 h ALA 126 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gk0 h ALA 126 Cb 0.91 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3gk0 h ALA 126 CO 0.07 -0.28 0.54 0.00 0.00 0.00 0.00 179.25 179.59 3gk0 h LYS 128 N 1.26 0.18 -0.82 0.00 3.11 -0.72 -1.63 116.57 117.95 3gk0 h LYS 128 Ca 0.33 -0.05 0.04 0.00 -2.81 0.00 0.00 60.65 58.15 3gk0 h LYS 128 Cb -0.04 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.12 3gk0 h LYS 128 CO -0.06 0.41 0.54 0.37 -2.81 0.00 0.00 179.45 177.90 3gk0 h GLN 129 N -0.07 0.97 0.14 1.90 4.15 -0.69 -1.21 115.11 120.30 3gk0 h GLN 129 Ca 0.03 -0.06 -0.24 0.00 0.77 0.00 0.00 58.65 59.15 3gk0 h GLN 129 Cb 0.32 -0.22 0.03 0.00 0.21 0.00 0.00 27.48 27.82 3gk0 h GLN 129 CO 0.00 0.64 -1.02 -0.07 -1.93 0.00 0.00 178.83 176.45 3gk0 h LEU 130 N 1.00 0.65 -1.51 -2.39 3.38 -1.33 -3.14 115.31 111.96 3gk0 h LEU 130 Ca 0.33 -0.89 0.12 0.00 0.09 0.00 0.00 57.88 57.53 3gk0 h LEU 130 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3gk0 h LEU 130 CO -0.10 1.49 0.49 0.00 0.09 0.00 0.00 178.44 180.41 3gk0 h ALA 131 N 0.17 1.97 -0.35 1.53 0.00 -1.00 0.04 119.26 121.61 3gk0 h ALA 131 Ca -0.17 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3gk0 h ALA 131 Cb 1.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3gk0 h ALA 131 CO 0.19 -0.15 -0.06 -0.44 0.00 0.00 0.00 179.25 178.79 3gk0 h ASP 132 N 0.52 0.56 -0.13 0.00 3.32 -1.28 -2.36 116.42 117.06 3gk0 h ASP 132 Ca 0.35 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gk0 h ASP 132 Cb 0.65 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3gk0 h ASP 132 CO -0.12 0.68 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 3gk0 n ALA 133 N -2.48 2.79 -1.64 3.45 0.00 -0.08 -4.89 120.51 117.67 3gk0 n ALA 133 Ca 0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 3gk0 n ALA 133 Cb 0.30 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 0.17 0.79 3.76 0.00 0.00 -0.89 -4.86 105.19 104.17 3gk0 n GLY 134 Ca 0.06 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.47 5.40 -0.31 1.61 1.01 -0.71 -4.91 120.40 120.03 3gk0 s VAL 135 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 3gk0 s VAL 135 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3gk0 s VAL 135 CO 0.00 0.48 0.99 -0.60 0.00 0.00 0.00 175.10 175.98 3gk0 s ARG 136 N 0.02 4.06 -0.07 2.72 3.52 -0.73 -3.81 118.95 124.66 3gk0 s ARG 136 Ca 0.09 0.97 -0.05 0.00 -0.13 0.00 0.00 55.73 56.61 3gk0 s ARG 136 Cb -0.11 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 3gk0 s ARG 136 CO -0.00 -0.81 0.14 0.08 -0.81 0.00 0.00 175.30 173.90 3gk0 s VAL 137 N 3.41 5.38 0.05 7.11 1.01 -1.26 -1.40 120.40 134.71 3gk0 s VAL 137 Ca 0.42 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.49 3gk0 s VAL 137 Cb -0.13 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3gk0 s VAL 137 CO 0.14 0.51 -0.17 -0.55 0.00 0.00 0.00 175.10 175.02 3gk0 s SER 138 N -1.37 1.99 -0.16 3.32 0.15 0.59 -2.56 113.70 115.67 3gk0 s SER 138 Ca 0.19 -0.53 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 3gk0 s SER 138 Cb -0.12 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 3gk0 s SER 138 CO 0.09 0.06 -0.09 -0.76 1.20 0.00 0.00 173.24 173.74 3gk0 s LEU 139 N -1.33 2.85 -0.62 3.45 1.43 -0.94 -0.20 118.68 123.32 3gk0 s LEU 139 Ca 0.03 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 3gk0 s LEU 139 Cb -0.09 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.51 3gk0 s LEU 139 CO 0.02 0.12 1.04 0.12 0.23 0.00 0.00 176.35 177.88 3gk0 s PHE 140 N 0.63 2.64 0.12 0.29 2.19 -0.69 -1.10 117.98 122.06 3gk0 s PHE 140 Ca -0.05 -0.13 0.04 0.00 0.33 0.00 0.00 56.93 57.12 3gk0 s PHE 140 Cb -0.15 -4.30 -0.04 0.00 -1.31 0.00 0.00 43.02 37.22 3gk0 s PHE 140 CO 0.03 -1.61 -0.10 0.96 1.83 0.00 0.00 175.22 176.33 3gk0 s ILE 141 N 4.44 1.02 0.63 3.12 -4.36 -0.53 0.01 121.20 125.53 3gk0 s ILE 141 Ca 0.30 -1.84 -0.17 0.00 -0.26 0.00 0.00 60.65 58.68 3gk0 s ILE 141 Cb -0.12 -1.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.98 3gk0 s ILE 141 CO 0.16 -0.66 1.18 -1.81 0.24 0.00 0.00 174.94 174.05 3gk0 s ASP 142 N -2.79 5.05 -1.22 4.36 1.01 -1.26 -0.98 116.67 120.84 3gk0 s ASP 142 Ca 0.11 2.28 -0.18 0.00 0.71 0.00 0.00 52.55 55.47 3gk0 s ASP 142 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3gk0 s ASP 142 CO -0.00 -1.68 2.04 -0.81 0.21 0.00 0.00 175.17 174.93 3gk0 n PRO 143 N -1.93 2.43 -4.32 8.23 -0.04 -1.26 -4.60 135.00 133.51 3gk0 n PRO 143 Ca 0.13 -2.50 -0.25 0.00 -0.04 0.00 0.00 63.50 60.84 3gk0 n PRO 143 Cb 0.50 -3.26 -0.17 0.00 -0.04 0.00 0.00 33.50 30.53 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 4.15 1.92 0.20 3.54 2.15 -1.26 -4.85 116.67 122.51 3gk0 s ASP 144 Ca 0.53 -0.30 -0.13 0.00 0.43 0.00 0.00 52.55 53.08 3gk0 s ASP 144 Cb 0.11 -0.83 0.22 0.00 -0.30 0.00 0.00 42.92 42.12 3gk0 s ASP 144 CO 0.02 -0.03 1.65 -0.08 -0.17 0.00 0.00 175.17 176.56 3gk0 h GLU 145 N 7.43 0.05 -0.36 4.34 4.81 -1.99 0.48 114.58 129.34 3gk0 h GLU 145 Ca -0.31 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3gk0 h GLU 145 Cb 1.16 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3gk0 h GLU 145 CO 0.45 0.03 0.17 0.00 -0.73 0.00 0.00 179.01 178.93 3gk0 h ALA 146 N 1.54 0.46 -0.39 2.92 0.00 -1.96 -0.84 119.26 120.99 3gk0 h ALA 146 Ca 0.28 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3gk0 h ALA 146 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gk0 h ALA 146 CO -0.53 0.04 -0.05 1.96 0.00 0.00 0.00 179.25 180.66 3gk0 h GLN 147 N 0.44 0.72 -0.27 0.00 1.08 -1.69 -1.21 115.11 114.19 3gk0 h GLN 147 Ca 0.12 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3gk0 h GLN 147 Cb 0.13 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3gk0 h GLN 147 CO -0.01 0.84 0.13 0.82 -0.95 0.00 0.00 178.83 179.66 3gk0 h ILE 148 N 0.54 0.98 -0.43 2.54 2.04 -0.78 -0.15 117.51 122.24 3gk0 h ILE 148 Ca 0.10 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.89 3gk0 h ILE 148 Cb 0.55 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3gk0 h ILE 148 CO 0.03 0.05 0.25 -0.09 0.00 0.00 0.00 178.15 178.39 3gk0 h ARG 149 N 0.27 0.48 -0.76 2.37 2.43 -1.05 -2.29 114.38 115.83 3gk0 h ARG 149 Ca 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3gk0 h ARG 149 Cb 0.04 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3gk0 h ARG 149 CO -0.08 0.32 0.37 0.00 -1.51 0.00 0.00 179.97 179.06 3gk0 h ALA 150 N 1.20 0.98 -0.46 2.80 0.00 -0.89 -2.52 119.26 120.38 3gk0 h ALA 150 Ca 0.18 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3gk0 h ALA 150 Cb 0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3gk0 h ALA 150 CO -0.09 0.55 0.20 0.00 0.00 0.00 0.00 179.25 179.90 3gk0 h ALA 151 N 1.19 0.57 -0.97 0.00 0.00 -0.70 -0.71 119.26 118.62 3gk0 h ALA 151 Ca 0.26 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.32 3gk0 h ALA 151 Cb 0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3gk0 h ALA 151 CO -0.03 -0.17 0.62 1.25 0.00 0.00 0.00 179.25 180.91 3gk0 h HIS 152 N 0.40 1.09 0.00 0.00 6.17 -1.10 -1.98 115.15 119.73 3gk0 h HIS 152 Ca 0.21 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.32 3gk0 h HIS 152 Cb 0.16 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 29.74 3gk0 h HIS 152 CO -0.13 0.46 0.00 1.49 0.71 0.00 0.00 177.93 180.46 3gk0 h GLU 153 N 0.97 0.00 0.00 5.26 4.57 -0.74 -2.64 114.58 122.01 3gk0 h GLU 153 Ca 0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 3gk0 h GLU 153 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 3gk0 h GLU 153 CO -0.23 0.00 0.00 1.79 -1.18 0.00 0.00 179.01 179.39 3gk0 h THR 154 N 0.00 0.00 0.00 0.32 1.35 -0.62 -3.47 112.91 110.49 3gk0 h THR 154 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3gk0 h THR 154 Cb 0.62 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3gk0 h THR 154 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3gk0 n GLY 155 N 0.24 1.13 3.74 5.82 0.00 -0.99 -4.77 105.19 110.35 3gk0 n GLY 155 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.54 3.79 -1.23 4.61 0.00 -1.26 -4.91 121.76 120.23 3gk0 s ALA 156 Ca 0.00 1.58 0.29 0.00 0.00 0.00 0.00 51.96 53.82 3gk0 s ALA 156 Cb 0.00 -3.66 1.24 0.00 0.00 0.00 0.00 23.12 20.70 3gk0 s ALA 156 CO 0.00 -0.97 1.90 -0.35 0.00 0.00 0.00 175.76 176.34 3gk0 n PRO 157 N 2.62 0.23 -4.14 0.00 -0.04 -1.23 -4.76 135.00 127.69 3gk0 n PRO 157 Ca 0.10 -0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.37 3gk0 n PRO 157 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 3gk0 n PRO 157 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gk0 s VAL 158 N -2.79 0.42 0.07 0.52 1.01 -1.06 -1.64 120.40 116.93 3gk0 s VAL 158 Ca 0.20 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3gk0 s VAL 158 Cb 0.19 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 3gk0 s VAL 158 CO 0.52 0.04 -0.23 0.27 0.00 0.00 0.00 175.10 175.70 3gk0 s ILE 159 N -0.30 1.84 -0.18 2.22 -4.36 -0.25 -2.22 121.20 117.95 3gk0 s ILE 159 Ca 0.00 -1.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 3gk0 s ILE 159 Cb -0.03 -1.61 -0.00 0.00 1.25 0.00 0.00 42.46 42.07 3gk0 s ILE 159 CO -0.00 0.16 -0.13 -0.70 0.24 0.00 0.00 174.94 174.52 3gk0 s GLU 160 N -1.46 3.23 0.22 0.37 2.12 -0.26 -0.06 118.70 122.87 3gk0 s GLU 160 Ca 0.09 -0.72 -0.27 0.00 0.36 0.00 0.00 54.97 54.42 3gk0 s GLU 160 Cb -0.09 -2.73 -0.09 0.00 0.26 0.00 0.00 34.13 31.48 3gk0 s GLU 160 CO 0.03 -0.08 0.87 -0.51 -0.54 0.00 0.00 175.26 175.03 3gk0 s LEU 161 N 1.08 4.57 -0.85 2.70 1.43 0.35 -1.45 118.68 126.52 3gk0 s LEU 161 Ca -0.00 1.80 -0.25 0.00 -1.03 0.00 0.00 54.13 54.65 3gk0 s LEU 161 Cb -0.14 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.55 3gk0 s LEU 161 CO -0.03 0.14 1.48 -2.28 0.23 0.00 0.00 176.35 175.89 3gk0 s HIS 162 N -1.24 2.25 -1.32 0.29 5.65 -0.15 -4.11 115.29 116.66 3gk0 s HIS 162 Ca 0.40 -0.18 0.05 0.00 0.25 0.00 0.00 55.06 55.59 3gk0 s HIS 162 Cb -0.24 -4.53 0.22 0.00 -1.18 0.00 0.00 32.58 26.85 3gk0 s HIS 162 CO 0.28 -2.02 1.00 0.25 -0.65 0.00 0.00 174.74 173.60 3gk0 n THR 163 N 6.83 0.59 0.09 0.89 -2.24 -1.26 -4.38 114.28 114.80 3gk0 n THR 163 Ca 0.20 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3gk0 n THR 163 Cb 0.50 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 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 5.07 -0.28 1.02 3.38 0.00 -1.89 0.44 103.07 110.81 3gk0 h GLY 164 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 3gk0 h GLY 164 CO 0.08 -0.16 0.40 3.21 0.00 0.00 0.00 176.54 180.07 3gk0 h ARG 165 N -0.31 1.13 -0.03 4.80 3.08 -1.92 0.63 114.38 121.77 3gk0 h ARG 165 Ca 0.02 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.94 3gk0 h ARG 165 Cb 0.33 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3gk0 h ARG 165 CO -0.09 0.86 -0.08 -0.92 -1.07 0.00 0.00 179.97 178.67 3gk0 h TYR 166 N 1.11 -0.20 -0.81 3.04 5.03 -1.84 -1.72 116.97 121.58 3gk0 h TYR 166 Ca 0.27 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.56 3gk0 h TYR 166 Cb 0.09 0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.43 3gk0 h TYR 166 CO 0.01 -0.13 0.37 0.00 -1.32 0.00 0.00 178.16 177.09 3gk0 h ALA 167 N 0.88 1.11 -0.03 1.82 0.00 -0.15 -2.79 119.26 120.10 3gk0 h ALA 167 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gk0 h ALA 167 Cb 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3gk0 h ALA 167 CO -0.10 0.66 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 3gk0 n ASP 168 N -4.29 1.00 -4.76 0.00 9.92 0.21 -4.93 116.55 113.70 3gk0 n ASP 168 Ca 0.08 -1.39 -0.39 0.00 -0.53 0.00 0.00 54.79 52.56 3gk0 n ASP 168 Cb 0.16 -0.02 0.02 0.00 -0.64 0.00 0.00 41.12 40.64 3gk0 n ASP 168 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gk0 s ALA 169 N -1.97 3.15 -0.20 2.24 0.00 -0.66 -4.96 121.76 119.37 3gk0 s ALA 169 Ca 0.39 1.41 -0.22 0.00 0.00 0.00 0.00 51.96 53.54 3gk0 s ALA 169 Cb 0.20 -3.57 -0.20 0.00 0.00 0.00 0.00 23.12 19.55 3gk0 s ALA 169 CO 0.32 -1.19 0.29 0.45 0.00 0.00 0.00 175.76 175.64 3gk0 h HIS 170 N 2.18 0.02 -1.75 0.00 -0.00 -1.91 -3.47 115.15 110.22 3gk0 h HIS 170 Ca -0.51 -0.01 -0.49 0.00 -0.00 0.00 0.00 60.37 59.36 3gk0 h HIS 170 Cb 1.27 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.65 3gk0 h HIS 170 CO 0.49 1.44 -0.41 -0.51 -0.00 0.00 0.00 177.93 178.94 3gk0 s ASP 171 N -6.78 5.31 0.33 2.45 1.01 -1.26 -4.99 116.67 112.74 3gk0 s ASP 171 Ca -0.27 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.49 3gk0 s ASP 171 Cb 0.05 -0.89 0.60 0.00 1.01 0.00 0.00 42.92 43.69 3gk0 s ASP 171 CO 0.61 -0.45 1.96 0.00 0.21 0.00 0.00 175.17 177.51 3gk0 h ALA 172 N 1.14 1.56 -0.00 5.23 0.00 -1.98 -1.45 119.26 123.76 3gk0 h ALA 172 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gk0 h ALA 172 Cb 1.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gk0 h ALA 172 CO 0.57 0.36 -0.00 0.00 0.00 0.00 0.00 179.25 180.18 3gk0 h ALA 173 N 1.56 0.00 -0.78 0.00 0.00 -1.99 -0.99 119.26 117.06 3gk0 h ALA 173 Ca 0.31 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gk0 h ALA 173 Cb 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3gk0 h ALA 173 CO -0.09 -0.20 0.51 1.49 0.00 0.00 0.00 179.25 180.96 3gk0 h GLU 174 N -0.59 1.04 -0.36 0.00 4.81 -1.96 -1.47 114.58 116.05 3gk0 h GLU 174 Ca -0.00 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 3gk0 h GLU 174 Cb 0.60 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3gk0 h GLU 174 CO 0.00 0.69 -0.26 0.37 -0.73 0.00 0.00 179.01 179.09 3gk0 h GLN 175 N 1.06 0.72 -0.02 1.92 4.15 -1.28 -1.58 115.11 120.08 3gk0 h GLN 175 Ca 0.29 -0.30 0.01 0.00 0.77 0.00 0.00 58.65 59.41 3gk0 h GLN 175 Cb -0.11 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3gk0 h GLN 175 CO -0.06 0.90 -0.02 0.37 -1.93 0.00 0.00 178.83 178.09 3gk0 h GLN 176 N 0.63 -0.02 -0.95 1.69 5.75 -0.92 0.99 115.11 122.27 3gk0 h GLN 176 Ca 0.08 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3gk0 h GLN 176 Cb 0.76 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.26 3gk0 h GLN 176 CO 0.06 -0.02 0.63 0.00 -2.65 0.00 0.00 178.83 176.85 3gk0 h ARG 177 N -0.02 1.23 -0.10 1.69 2.47 -1.11 -1.99 114.38 116.55 3gk0 h ARG 177 Ca 0.02 -0.07 -0.17 0.00 -1.26 0.00 0.00 59.98 58.49 3gk0 h ARG 177 Cb 0.05 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 3gk0 h ARG 177 CO -0.04 0.82 -0.65 0.93 0.56 0.00 0.00 179.97 181.59 3gk0 h GLU 178 N 1.27 0.39 -0.41 0.04 4.39 -1.15 -3.01 114.58 116.11 3gk0 h GLU 178 Ca 0.36 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.80 3gk0 h GLU 178 Cb -0.12 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 3gk0 h GLU 178 CO -0.09 0.91 0.19 0.35 -1.16 0.00 0.00 179.01 179.22 3gk0 h PHE 179 N 0.28 0.36 0.00 4.33 3.57 -0.34 -2.67 116.94 122.48 3gk0 h PHE 179 Ca -0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3gk0 h PHE 179 Cb 1.20 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 3gk0 h PHE 179 CO 0.04 0.18 -0.30 1.05 -2.23 0.00 0.00 178.31 177.05 3gk0 h GLU 180 N 0.40 0.00 -0.36 1.11 4.11 -1.28 0.12 114.58 118.68 3gk0 h GLU 180 Ca 0.18 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.62 3gk0 h GLU 180 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3gk0 h GLU 180 CO -0.13 0.30 0.22 0.00 0.07 0.00 0.00 179.01 179.47 3gk0 h ARG 181 N 0.00 0.44 -0.31 1.06 3.08 -1.36 0.14 114.38 117.43 3gk0 h ARG 181 Ca -0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3gk0 h ARG 181 Cb 0.58 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3gk0 h ARG 181 CO 0.04 0.29 0.15 0.82 -1.07 0.00 0.00 179.97 180.20 3gk0 h ILE 182 N 0.45 1.16 -0.55 2.04 2.04 -1.02 0.21 117.51 121.84 3gk0 h ILE 182 Ca 0.14 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3gk0 h ILE 182 Cb -0.02 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3gk0 h ILE 182 CO -0.05 0.16 0.35 0.00 0.00 0.00 0.00 178.15 178.61 3gk0 h ALA 183 N 1.00 0.69 -0.68 1.87 0.00 -0.86 0.56 119.26 121.85 3gk0 h ALA 183 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gk0 h ALA 183 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gk0 h ALA 183 CO -0.01 0.14 0.41 1.15 0.00 0.00 0.00 179.25 180.94 3gk0 h THR 184 N 0.74 1.19 -0.08 0.00 2.02 -0.52 -1.98 112.91 114.28 3gk0 h THR 184 Ca 0.20 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 3gk0 h THR 184 Cb -0.07 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3gk0 h THR 184 CO -0.04 0.20 -0.38 1.23 0.37 0.00 0.00 175.52 176.90 3gk0 h GLY 185 N 0.92 0.19 0.74 2.16 0.00 0.16 -1.29 103.07 105.95 3gk0 h GLY 185 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3gk0 h GLY 185 CO -0.05 0.15 -0.00 -2.08 0.00 0.00 0.00 176.54 174.57 3gk0 h VAL 186 N 0.15 1.25 -0.79 4.60 2.07 -0.71 -2.57 116.25 120.25 3gk0 h VAL 186 Ca 0.02 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.80 3gk0 h VAL 186 Cb 0.75 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 3gk0 h VAL 186 CO 0.06 0.22 0.48 0.44 0.02 0.00 0.00 177.57 178.79 3gk0 h ASP 187 N -0.15 0.76 -0.43 0.57 3.32 -1.04 -2.14 116.42 117.31 3gk0 h ASP 187 Ca 0.02 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3gk0 h ASP 187 Cb 0.35 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3gk0 h ASP 187 CO 0.00 0.49 0.15 0.00 -1.72 0.00 0.00 179.24 178.16 3gk0 h ALA 188 N 1.38 0.56 -0.36 3.45 0.00 -1.24 -1.49 119.26 121.55 3gk0 h ALA 188 Ca 0.35 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3gk0 h ALA 188 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gk0 h ALA 188 CO -0.17 0.19 -0.16 0.78 0.00 0.00 0.00 179.25 179.88 3gk0 h GLY 189 N 0.55 0.81 1.07 0.00 0.00 -1.28 -2.31 103.07 101.91 3gk0 h GLY 189 Ca 0.14 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3gk0 h GLY 189 CO -0.01 0.66 0.55 -2.22 0.00 0.00 0.00 176.54 175.53 3gk0 h ILE 190 N 0.54 1.25 0.00 2.60 2.04 -1.37 -0.13 117.51 122.44 3gk0 h ILE 190 Ca 0.08 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3gk0 h ILE 190 Cb 0.70 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3gk0 h ILE 190 CO 0.05 0.26 -0.20 0.00 0.00 0.00 0.00 178.15 178.26 3gk0 h ALA 191 N 1.36 1.37 -0.02 1.87 0.00 -0.92 -1.48 119.26 121.44 3gk0 h ALA 191 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gk0 h ALA 191 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gk0 h ALA 191 CO -0.06 0.25 -0.01 1.28 0.00 0.00 0.00 179.25 180.70 3gk0 n LEU 192 N -3.87 1.57 0.00 0.00 4.77 -0.89 -4.96 117.00 113.62 3gk0 n LEU 192 Ca -0.02 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 3gk0 n LEU 192 Cb 0.29 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3gk0 n LEU 192 CO 0.34 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3gk0 n GLY 193 N 1.19 0.58 3.88 -0.72 0.00 -0.56 -5.07 105.19 104.49 3gk0 n GLY 193 Ca 0.18 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 4.25 0.13 0.99 1.43 -0.11 -5.00 118.68 120.38 3gk0 s LEU 194 Ca 0.00 0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 53.63 3gk0 s LEU 194 Cb 0.00 -3.38 -0.07 0.00 0.03 0.00 0.00 46.19 42.77 3gk0 s LEU 194 CO 0.00 0.03 0.90 -0.54 0.23 0.00 0.00 176.35 176.98 3gk0 s LYS 195 N -2.48 4.68 -0.10 1.70 3.01 -0.65 -3.89 119.74 122.02 3gk0 s LYS 195 Ca 0.41 1.36 0.03 0.00 -1.01 0.00 0.00 55.97 56.77 3gk0 s LYS 195 Cb -0.12 -3.34 -0.01 0.00 -1.01 0.00 0.00 37.83 33.35 3gk0 s LYS 195 CO 0.21 0.33 -0.21 0.54 0.51 0.00 0.00 175.35 176.73 3gk0 s VAL 196 N -0.39 2.33 0.52 3.17 0.11 -1.26 -1.09 120.40 123.78 3gk0 s VAL 196 Ca 0.43 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3gk0 s VAL 196 Cb -0.23 -1.90 0.01 0.00 -1.53 0.00 0.00 36.38 32.72 3gk0 s VAL 196 CO 0.29 0.55 0.21 0.20 -3.33 0.00 0.00 175.10 173.03 3gk0 s ASN 197 N 0.21 4.40 0.22 3.54 0.01 0.92 -1.14 114.94 123.10 3gk0 s ASN 197 Ca -0.13 -1.40 -0.21 0.00 -0.71 0.00 0.00 52.86 50.40 3gk0 s ASN 197 Cb -0.16 0.38 0.07 0.00 0.41 0.00 0.00 41.25 41.95 3gk0 s ASN 197 CO 0.07 -0.95 0.99 0.00 -1.51 0.00 0.00 177.10 175.71 3gk0 s ALA 198 N -2.80 -1.45 0.00 0.60 0.00 -0.92 -0.50 121.76 116.69 3gk0 s ALA 198 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3gk0 s ALA 198 Cb -0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3gk0 s ALA 198 CO 0.14 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3gk0 n GLY 199 N -0.67 0.60 3.71 0.00 0.00 -1.26 0.06 105.19 107.64 3gk0 n GLY 199 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 2.58 0.00 1.61 2.46 -1.26 -2.21 115.29 118.48 3gk0 s HIS 200 Ca 0.00 0.21 0.00 0.00 0.47 0.00 0.00 55.06 55.74 3gk0 s HIS 200 Cb 0.00 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.31 3gk0 s HIS 200 CO 0.00 -4.47 0.00 0.41 -2.47 0.00 0.00 174.74 168.21 3gk0 n GLY 201 N 4.07 0.41 3.75 1.59 0.00 -1.26 -3.39 105.19 110.35 3gk0 n GLY 201 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 4.57 0.00 0.99 1.43 -0.94 -4.77 118.68 119.96 3gk0 s LEU 202 Ca 0.00 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 3gk0 s LEU 202 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3gk0 s LEU 202 CO 0.00 -0.04 0.00 0.00 0.23 0.00 0.00 176.35 176.54 3gk0 n HIS 203 N 1.75 -0.09 0.72 0.29 1.44 -1.26 -4.54 115.22 113.53 3gk0 n HIS 203 Ca -0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.83 3gk0 n HIS 203 Cb 0.46 0.00 0.48 0.00 0.12 0.00 0.00 29.99 31.06 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 0.52 0.32 -1.40 4.02 -1.26 -1.70 117.16 117.65 3gk0 n TYR 204 Ca 0.00 0.16 0.04 0.00 -0.01 0.00 0.00 57.90 58.09 3gk0 n TYR 204 Cb 0.00 -0.76 0.01 0.00 -0.02 0.00 0.00 39.34 38.57 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 -1.93 0.00 0.05 -0.72 -2.24 -1.26 -4.70 114.28 103.47 3gk0 n THR 205 Ca 0.05 -0.46 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 3gk0 n THR 205 Cb 0.35 1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.03 0.60 0.16 3.42 0.23 -1.13 -4.69 115.26 113.87 3gk0 n ASN 206 Ca 0.04 -0.80 0.02 0.00 -0.53 0.00 0.00 54.58 53.30 3gk0 n ASN 206 Cb 0.17 0.47 0.25 0.00 -2.08 0.00 0.00 39.78 38.59 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 0.12 1.23 -0.40 3.53 3.04 -1.61 -3.36 116.25 118.80 3gk0 h VAL 207 Ca 0.00 -1.81 -0.01 0.00 -1.01 0.00 0.00 66.70 63.87 3gk0 h VAL 207 Cb 0.04 2.01 -0.02 0.00 -2.01 0.00 0.00 31.29 31.31 3gk0 h VAL 207 CO 0.00 0.50 0.22 1.56 -1.01 0.00 0.00 177.57 178.83 3gk0 h GLN 208 N 0.00 0.56 -0.13 4.17 7.50 -1.84 -0.08 115.11 125.29 3gk0 h GLN 208 Ca -0.01 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.00 3gk0 h GLN 208 Cb 0.97 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.38 3gk0 h GLN 208 CO 0.07 0.46 -0.28 0.00 -1.50 0.00 0.00 178.83 177.57 3gk0 h ALA 209 N 1.07 1.28 0.01 3.87 0.00 -1.92 -0.66 119.26 122.91 3gk0 h ALA 209 Ca 0.14 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 3gk0 h ALA 209 Cb 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gk0 h ALA 209 CO -0.02 0.49 -1.04 0.82 0.00 0.00 0.00 179.25 179.49 3gk0 h ILE 210 N 0.22 1.30 -0.07 0.00 1.08 -1.64 -3.20 117.51 115.19 3gk0 h ILE 210 Ca 0.03 -2.29 -0.07 0.00 -0.39 0.00 0.00 64.86 62.14 3gk0 h ILE 210 Cb 0.62 2.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 3gk0 h ILE 210 CO 0.04 0.70 -0.27 0.00 -0.69 0.00 0.00 178.15 177.94 3gk0 h ALA 211 N 0.45 1.42 -0.01 1.87 0.00 -0.82 -2.46 119.26 119.71 3gk0 h ALA 211 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3gk0 h ALA 211 Cb 1.69 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3gk0 h ALA 211 CO 0.20 0.41 0.01 0.00 0.00 0.00 0.00 179.25 179.87 3gk0 h ALA 212 N 1.62 1.83 -2.00 0.00 0.00 -1.12 -3.35 119.26 116.24 3gk0 h ALA 212 Ca 0.02 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.36 3gk0 h ALA 212 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3gk0 h ALA 212 CO 0.04 -0.02 1.10 -0.51 0.00 0.00 0.00 179.25 179.86 3gk0 s LEU 213 N -8.53 3.86 0.40 0.00 1.43 -0.93 -4.83 118.68 110.08 3gk0 s LEU 213 Ca -0.05 1.47 0.28 0.00 -1.03 0.00 0.00 54.13 54.80 3gk0 s LEU 213 Cb 0.16 -3.53 1.14 0.00 0.03 0.00 0.00 46.19 43.99 3gk0 s LEU 213 CO 0.62 -1.25 1.84 1.55 0.23 0.00 0.00 176.35 179.34 3gk0 h PRO 214 N 10.50 0.00 0.00 1.29 0.13 -1.87 -2.92 132.00 139.13 3gk0 h PRO 214 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3gk0 h PRO 214 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3gk0 h PRO 214 CO 1.01 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.56 3gk0 h GLY 215 N 2.31 0.00 -5.44 1.56 0.00 -1.94 -3.44 103.07 96.12 3gk0 h GLY 215 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3gk0 h GLY 215 CO 0.00 0.00 0.88 -0.42 0.00 0.00 0.00 176.54 177.00 3gk0 s ILE 216 N -3.37 4.39 -0.02 2.60 1.01 -1.11 -4.40 121.20 120.30 3gk0 s ILE 216 Ca 0.05 1.64 -0.22 0.00 0.00 0.00 0.00 60.65 62.12 3gk0 s ILE 216 Cb 0.09 -4.20 -0.15 0.00 0.01 0.00 0.00 42.46 38.20 3gk0 s ILE 216 CO 0.51 -0.30 1.01 0.00 0.00 0.00 0.00 174.94 176.16 3gk0 h ALA 217 N 8.25 -0.34 -3.39 9.38 0.00 -1.43 -3.46 119.26 128.27 3gk0 h ALA 217 Ca -0.23 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 3gk0 h ALA 217 Cb 1.08 0.13 -0.27 0.00 0.00 0.00 0.00 17.79 18.74 3gk0 h ALA 217 CO 1.00 -0.44 -0.56 -2.00 0.00 0.00 0.00 179.25 177.25 3gk0 s GLU 218 N -3.97 0.16 -0.24 0.00 2.12 -1.26 -2.10 118.70 113.41 3gk0 s GLU 218 Ca -0.13 0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.33 3gk0 s GLU 218 Cb 0.01 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 3gk0 s GLU 218 CO 0.48 -0.02 0.06 -0.51 -0.54 0.00 0.00 175.26 174.73 3gk0 s LEU 219 N 0.10 3.44 -0.41 2.70 1.43 -0.75 -2.16 118.68 123.04 3gk0 s LEU 219 Ca -0.00 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 3gk0 s LEU 219 Cb -0.01 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3gk0 s LEU 219 CO 0.00 -0.01 0.30 0.20 0.23 0.00 0.00 176.35 177.07 3gk0 s ASN 220 N 1.46 6.11 -0.02 2.29 0.01 0.11 -1.68 114.94 123.21 3gk0 s ASN 220 Ca 0.06 -0.86 0.06 0.00 -0.71 0.00 0.00 52.86 51.40 3gk0 s ASN 220 Cb -0.15 -2.16 -0.01 0.00 0.41 0.00 0.00 41.25 39.34 3gk0 s ASN 220 CO 0.03 -0.44 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.35 3gk0 s ILE 221 N 1.70 1.58 0.00 0.60 1.01 0.15 -4.07 121.20 122.17 3gk0 s ILE 221 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3gk0 s ILE 221 Cb -0.19 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3gk0 s ILE 221 CO 0.10 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3gk0 n GLY 222 N 2.68 0.45 0.37 6.18 0.00 -1.26 -0.32 105.19 113.28 3gk0 n GLY 222 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 1.08 -0.72 1.61 -0.00 -1.92 -0.91 115.15 114.29 3gk0 h HIS 223 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.46 3gk0 h HIS 223 Cb 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.01 3gk0 h HIS 223 CO 0.00 0.54 0.48 0.00 -0.00 0.00 0.00 177.93 178.95 3gk0 h ALA 224 N 1.51 1.69 -0.04 5.26 0.00 -1.93 0.21 119.26 125.96 3gk0 h ALA 224 Ca 0.42 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 3gk0 h ALA 224 Cb 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gk0 h ALA 224 CO -0.17 0.20 -0.31 0.82 0.00 0.00 0.00 179.25 179.79 3gk0 h ILE 225 N 0.76 1.46 -0.66 0.00 2.04 -1.50 -2.00 117.51 117.62 3gk0 h ILE 225 Ca 0.31 -1.80 -0.03 0.00 1.00 0.00 0.00 64.86 64.34 3gk0 h ILE 225 Cb 0.24 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 3gk0 h ILE 225 CO -0.10 0.51 0.28 0.58 0.00 0.00 0.00 178.15 179.41 3gk0 h VAL 226 N -0.27 1.24 -0.24 1.67 2.07 -1.19 0.35 116.25 119.87 3gk0 h VAL 226 Ca -0.03 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3gk0 h VAL 226 Cb 0.99 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3gk0 h VAL 226 CO 0.06 0.29 0.13 0.00 0.02 0.00 0.00 177.57 178.07 3gk0 h ALA 227 N 1.12 0.30 -0.49 1.67 0.00 -0.62 -2.07 119.26 119.16 3gk0 h ALA 227 Ca 0.22 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3gk0 h ALA 227 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3gk0 h ALA 227 CO -0.02 -0.16 -0.04 1.25 0.00 0.00 0.00 179.25 180.27 3gk0 h HIS 228 N 0.27 0.99 -0.85 0.00 6.17 -1.25 -3.02 115.15 117.46 3gk0 h HIS 228 Ca 0.08 -0.19 0.15 0.00 0.71 0.00 0.00 60.37 61.13 3gk0 h HIS 228 Cb 0.08 -0.25 -0.06 0.00 2.52 0.00 0.00 27.41 29.69 3gk0 h HIS 228 CO -0.03 0.94 0.56 0.00 0.71 0.00 0.00 177.93 180.10 3gk0 h ALA 229 N 0.91 1.97 -0.56 5.26 0.00 -0.04 -1.30 119.26 125.51 3gk0 h ALA 229 Ca 0.13 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3gk0 h ALA 229 Cb 0.58 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 3gk0 h ALA 229 CO 0.03 -0.20 0.06 0.28 0.00 0.00 0.00 179.25 179.42 3gk0 h VAL 230 N 0.57 0.61 0.01 0.00 2.07 -1.24 0.24 116.25 118.51 3gk0 h VAL 230 Ca 0.43 -0.06 -0.22 0.00 0.82 0.00 0.00 66.70 67.66 3gk0 h VAL 230 Cb 0.82 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3gk0 h VAL 230 CO -0.18 0.03 -1.10 -0.26 0.02 0.00 0.00 177.57 176.09 3gk0 h PHE 231 N 0.18 0.05 -0.00 1.57 0.04 -1.40 -3.40 116.94 113.98 3gk0 h PHE 231 Ca 0.29 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.03 3gk0 h PHE 231 Cb 0.44 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3gk0 h PHE 231 CO -0.29 1.03 -0.06 0.28 -0.60 0.00 0.00 178.31 178.67 3gk0 n VAL 232 N -3.34 0.00 0.00 -0.55 0.31 -0.79 -5.11 118.33 108.85 3gk0 n VAL 232 Ca -0.03 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3gk0 n VAL 232 Cb 0.96 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.89 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 1.01 -1.33 0.22 2.92 0.00 0.80 -4.57 105.19 104.24 3gk0 n GLY 233 Ca 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 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 0.73 -1.00 1.61 2.91 -1.94 -1.99 115.95 116.27 3gk0 h TRP 234 Ca 0.00 -0.06 0.04 0.00 1.13 0.00 0.00 58.89 60.00 3gk0 h TRP 234 Cb 0.00 -0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 28.37 3gk0 h TRP 234 CO 0.00 0.63 0.65 0.22 -1.03 0.00 0.00 178.44 178.91 3gk0 h ASP 235 N 0.62 1.09 -0.17 2.65 1.82 -1.91 -2.35 116.42 118.17 3gk0 h ASP 235 Ca 0.16 -0.01 -0.17 0.00 -0.39 0.00 0.00 57.03 56.61 3gk0 h ASP 235 Cb 0.22 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 3gk0 h ASP 235 CO -0.01 0.74 -0.53 0.78 -1.61 0.00 0.00 179.24 178.61 3gk0 h ASN 236 N 1.26 0.84 -0.50 2.28 2.35 -1.73 -2.35 115.58 117.72 3gk0 h ASN 236 Ca 0.40 -0.44 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 3gk0 h ASN 236 Cb 0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3gk0 h ASN 236 CO -0.13 1.21 0.05 0.00 -1.65 0.00 0.00 177.43 176.91 3gk0 h ALA 237 N 0.81 0.66 0.58 -0.83 0.00 -1.03 -0.21 119.26 119.25 3gk0 h ALA 237 Ca 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3gk0 h ALA 237 Cb 1.11 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.72 3gk0 h ALA 237 CO 0.11 0.42 -0.28 0.28 0.00 0.00 0.00 179.25 179.79 3gk0 h VAL 238 N 0.71 0.01 -0.77 0.00 2.07 -1.48 -2.55 116.25 114.24 3gk0 h VAL 238 Ca 0.15 -0.43 0.18 0.00 0.82 0.00 0.00 66.70 67.42 3gk0 h VAL 238 Cb 0.44 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.08 3gk0 h VAL 238 CO 0.02 0.00 -0.02 -0.09 0.02 0.00 0.00 177.57 177.49 3gk0 h ARG 239 N -1.21 0.08 -0.42 1.57 2.43 -1.41 -0.31 114.38 115.11 3gk0 h ARG 239 Ca -0.08 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3gk0 h ARG 239 Cb 0.60 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3gk0 h ARG 239 CO 0.13 0.05 0.10 1.49 -1.51 0.00 0.00 179.97 180.24 3gk0 h GLU 240 N 0.08 0.68 -0.46 0.20 4.81 -1.07 -0.12 114.58 118.70 3gk0 h GLU 240 Ca 0.42 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3gk0 h GLU 240 Cb 0.73 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3gk0 h GLU 240 CO -0.70 0.69 0.20 1.98 -0.73 0.00 0.00 179.01 180.45 3gk0 h MET 241 N 0.55 0.68 -0.77 1.92 4.05 -0.79 -1.08 114.93 119.49 3gk0 h MET 241 Ca 0.13 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 3gk0 h MET 241 Cb 0.31 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.95 3gk0 h MET 241 CO 0.00 0.60 0.47 -0.22 0.23 0.00 0.00 176.91 178.00 3gk0 h LYS 242 N 0.60 0.87 -0.39 0.39 1.63 -0.88 -2.45 116.57 116.35 3gk0 h LYS 242 Ca 0.16 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3gk0 h LYS 242 Cb 0.17 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 3gk0 h LYS 242 CO -0.02 0.58 0.16 0.00 -3.45 0.00 0.00 179.45 176.72 3gk0 h ALA 243 N 1.35 0.51 -0.76 5.00 0.00 -0.23 -2.01 119.26 123.11 3gk0 h ALA 243 Ca 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3gk0 h ALA 243 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3gk0 h ALA 243 CO -0.14 0.11 0.42 0.82 0.00 0.00 0.00 179.25 180.46 3gk0 h ILE 244 N 0.49 1.22 -0.06 0.00 2.04 -1.10 -1.11 117.51 118.99 3gk0 h ILE 244 Ca 0.13 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 3gk0 h ILE 244 Cb 0.19 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3gk0 h ILE 244 CO -0.01 0.25 -0.19 0.24 0.00 0.00 0.00 178.15 178.44 3gk0 h MET 245 N 1.06 0.23 -0.61 2.37 2.86 -1.24 -1.62 114.93 117.97 3gk0 h MET 245 Ca 0.27 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3gk0 h MET 245 Cb 0.02 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3gk0 h MET 245 CO -0.04 0.79 0.38 0.28 1.06 0.00 0.00 176.91 179.38 3gk0 h VAL 246 N -0.30 1.18 -0.55 -2.22 2.07 -1.32 0.44 116.25 115.56 3gk0 h VAL 246 Ca -0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3gk0 h VAL 246 Cb 0.81 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3gk0 h VAL 246 CO 0.04 0.18 0.30 0.00 0.02 0.00 0.00 177.57 178.10 3gk0 h ALA 247 N 1.20 0.70 -0.33 1.67 0.00 -1.21 -0.88 119.26 120.42 3gk0 h ALA 247 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gk0 h ALA 247 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3gk0 h ALA 247 CO -0.04 0.23 0.15 0.00 0.00 0.00 0.00 179.25 179.59 3gk0 h ALA 248 N 1.13 0.42 0.13 0.00 0.00 -1.02 -2.32 119.26 117.60 3gk0 h ALA 248 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gk0 h ALA 248 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gk0 h ALA 248 CO -0.03 -0.01 -0.06 -0.09 0.00 0.00 0.00 179.25 179.06 3gk0 h ARG 249 N 0.39 -0.17 -0.23 0.00 9.65 -0.60 -2.33 114.38 121.09 3gk0 h ARG 249 Ca 0.11 0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.84 3gk0 h ARG 249 Cb 0.14 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 3gk0 h ARG 249 CO -0.01 0.06 -0.52 0.28 2.80 0.00 0.00 179.97 182.58 3gk0 h VAL 250 N -0.38 1.31 -0.53 0.20 2.07 -1.23 -1.74 116.25 115.94 3gk0 h VAL 250 Ca -0.02 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 3gk0 h VAL 250 Cb 0.31 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3gk0 h VAL 250 CO 0.03 0.55 0.14 0.00 0.02 0.00 0.00 177.57 178.31 3gk0 h ALA 251 N 0.92 1.25 0.00 1.67 0.00 -1.42 -2.58 119.26 119.10 3gk0 h ALA 251 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3gk0 h ALA 251 Cb 1.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3gk0 h ALA 251 CO 0.10 0.53 -0.51 0.00 0.00 0.00 0.00 179.25 179.36 3gk0 h ALA 252 N 1.37 0.84 0.00 0.00 0.00 -1.10 -3.11 119.26 117.26 3gk0 h ALA 252 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gk0 h ALA 252 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gk0 h ALA 252 CO -0.00 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.82 3gk0 h LEU 253 N 0.00 0.00 -0.71 0.00 3.38 -0.93 -3.51 115.31 113.55 3gk0 h LEU 253 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gk0 h LEU 253 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3gk0 h LEU 253 CO 0.07 0.00 0.00 1.41 0.09 0.00 0.00 178.44 180.01