#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 0.01 0.04 0.00 2.07 -1.26 -5.00 121.20 117.06 3gk0 s ILE 11 Ca 0.00 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 3gk0 s ILE 11 Cb 0.00 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 3gk0 s ILE 11 CO 0.00 -0.05 0.14 -1.81 -1.91 0.00 0.00 174.94 171.30 3gk0 s ASP 12 N -0.24 5.95 -0.20 4.50 1.01 -0.77 -4.94 116.67 121.98 3gk0 s ASP 12 Ca -0.04 0.16 -0.00 0.00 0.71 0.00 0.00 52.55 53.38 3gk0 s ASP 12 Cb -0.03 -1.74 0.02 0.00 1.01 0.00 0.00 42.92 42.17 3gk0 s ASP 12 CO 0.03 0.21 -0.14 -0.22 0.21 0.00 0.00 175.17 175.25 3gk0 s LEU 13 N -2.22 2.52 -0.21 1.23 2.96 -1.26 -1.57 118.68 120.13 3gk0 s LEU 13 Ca 0.29 -0.65 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 3gk0 s LEU 13 Cb -0.12 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 3gk0 s LEU 13 CO 0.22 -0.03 0.26 -0.83 -1.32 0.00 0.00 176.35 174.65 3gk0 s GLY 14 N 1.33 2.07 -0.26 7.98 0.00 0.65 -0.75 107.32 118.34 3gk0 s GLY 14 Ca 0.04 -0.66 -0.09 0.00 0.00 0.00 0.00 44.72 44.01 3gk0 s GLY 14 CO -0.09 0.52 0.13 0.14 0.00 0.00 0.00 173.10 173.79 3gk0 s VAL 15 N 0.95 4.79 -0.16 1.40 1.01 -0.52 -0.48 120.40 127.39 3gk0 s VAL 15 Ca 0.13 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3gk0 s VAL 15 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3gk0 s VAL 15 CO 0.05 0.30 0.44 0.21 0.00 0.00 0.00 175.10 176.10 3gk0 s ASN 16 N 1.66 6.56 -0.10 3.32 3.84 0.22 -0.93 114.94 129.51 3gk0 s ASN 16 Ca 0.07 0.67 0.15 0.00 0.21 0.00 0.00 52.86 53.95 3gk0 s ASN 16 Cb -0.15 -2.26 0.50 0.00 -0.55 0.00 0.00 41.25 38.79 3gk0 s ASN 16 CO 0.07 -0.04 1.42 2.30 -2.79 0.00 0.00 177.10 178.06 3gk0 n ILE 17 N 3.98 1.75 -0.07 -5.21 -5.35 -0.58 -4.47 119.36 109.41 3gk0 n ILE 17 Ca -0.08 -1.41 -0.07 0.00 -0.27 0.00 0.00 62.75 60.92 3gk0 n ILE 17 Cb 0.51 0.09 -0.01 0.00 -1.74 0.00 0.00 39.64 38.50 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 2.44 -0.13 0.72 7.28 3.32 -1.94 -2.67 116.42 125.44 3gk0 h ASP 18 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3gk0 h ASP 18 Cb 1.21 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3gk0 h ASP 18 CO 0.15 -0.03 0.00 1.41 -1.72 0.00 0.00 179.24 179.05 3gk0 n HIS 19 N -5.17 0.00 -0.08 4.55 8.25 -1.26 -1.38 115.22 120.13 3gk0 n HIS 19 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 3gk0 n HIS 19 Cb 0.14 -0.44 -0.05 0.00 1.12 0.00 0.00 29.99 30.76 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 1.30 -0.67 1.59 2.07 -1.82 -3.00 116.25 115.73 3gk0 h VAL 20 Ca 0.00 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 3gk0 h VAL 20 Cb 0.36 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3gk0 h VAL 20 CO 0.00 0.37 0.20 0.00 0.02 0.00 0.00 177.57 178.16 3gk0 h ALA 21 N 0.72 0.88 -0.97 1.67 0.00 -1.23 -2.00 119.26 118.34 3gk0 h ALA 21 Ca 0.05 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 54.97 3gk0 h ALA 21 Cb 0.62 -0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.03 3gk0 h ALA 21 CO 0.04 0.57 0.54 1.15 0.00 0.00 0.00 179.25 181.54 3gk0 h THR 22 N 0.98 0.55 -0.11 0.00 2.02 -1.36 0.14 112.91 115.14 3gk0 h THR 22 Ca 0.21 -0.19 -0.21 0.00 0.77 0.00 0.00 66.41 67.00 3gk0 h THR 22 Cb 0.32 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3gk0 h THR 22 CO -0.00 0.10 -0.77 0.25 0.37 0.00 0.00 175.52 175.47 3gk0 h LEU 23 N 0.56 0.70 -0.23 2.58 7.12 -1.24 -2.95 115.31 121.85 3gk0 h LEU 23 Ca 0.60 -0.47 -0.03 0.00 0.13 0.00 0.00 57.88 58.12 3gk0 h LEU 23 Cb 1.11 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.03 3gk0 h LEU 23 CO -0.47 1.24 0.01 -0.09 -0.13 0.00 0.00 178.44 178.99 3gk0 h ARG 24 N 0.39 0.41 0.00 1.25 2.43 -0.52 -3.20 114.38 115.14 3gk0 h ARG 24 Ca -0.04 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 3gk0 h ARG 24 Cb 1.37 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 3gk0 h ARG 24 CO 0.14 0.57 -0.27 -0.91 -1.51 0.00 0.00 179.97 178.00 3gk0 h ASN 25 N 0.19 0.00 -0.91 -3.80 2.35 -0.83 -1.01 115.58 111.57 3gk0 h ASN 25 Ca 0.07 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 56.02 3gk0 h ASN 25 Cb 0.38 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.64 3gk0 h ASN 25 CO 0.01 0.27 0.46 0.00 -1.65 0.00 0.00 177.43 176.52 3gk0 h ALA 26 N 1.73 1.48 0.01 -0.83 0.00 -1.51 -3.15 119.26 116.99 3gk0 h ALA 26 Ca -0.00 0.13 -0.37 0.00 0.00 0.00 0.00 54.91 54.66 3gk0 h ALA 26 Cb 0.51 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3gk0 h ALA 26 CO 0.04 -0.24 -2.34 -2.13 0.00 0.00 0.00 179.25 174.58 3gk0 n ARG 27 N -4.94 0.67 -0.71 0.00 3.00 -0.85 -5.02 116.66 108.81 3gk0 n ARG 27 Ca 0.22 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 3gk0 n ARG 27 Cb 0.61 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.51 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 1.95 0.59 1.15 5.14 0.00 -0.44 -5.08 105.19 108.50 3gk0 n GLY 28 Ca -0.37 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.70 0.00 1.73 2.61 -2.24 -1.25 -5.02 114.28 107.41 3gk0 n THR 29 Ca 0.00 -0.60 0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3gk0 n THR 29 Cb 0.02 -0.69 0.61 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.76 2.60 -2.48 6.98 0.00 -1.26 -4.76 120.51 118.84 3gk0 n ALA 30 Ca -0.04 -0.29 -0.26 0.00 0.00 0.00 0.00 53.44 52.84 3gk0 n ALA 30 Cb 0.18 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.95 1.88 0.39 0.00 1.51 -1.26 -3.28 117.35 114.63 3gk0 s TYR 31 Ca 0.36 -0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 55.78 3gk0 s TYR 31 Cb 0.18 -1.09 -0.09 0.00 -0.11 0.00 0.00 41.96 40.85 3gk0 s TYR 31 CO 0.29 0.14 1.14 -1.25 -1.11 0.00 0.00 175.55 174.76 3gk0 s PRO 32 N -1.42 4.13 -0.26 -1.71 0.04 -1.26 -4.32 135.00 130.20 3gk0 s PRO 32 Ca 0.08 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 3gk0 s PRO 32 Cb -0.09 -2.71 -0.00 0.00 0.04 0.00 0.00 34.50 31.74 3gk0 s PRO 32 CO 0.03 -0.24 0.84 0.34 0.04 0.00 0.00 177.00 178.01 3gk0 s ASP 33 N -1.18 6.81 0.49 6.66 2.15 -1.21 -4.51 116.67 125.89 3gk0 s ASP 33 Ca 0.56 0.97 0.15 0.00 0.43 0.00 0.00 52.55 54.66 3gk0 s ASP 33 Cb -0.29 -2.44 1.17 0.00 -0.30 0.00 0.00 42.92 41.06 3gk0 s ASP 33 CO 0.37 -0.56 2.10 -0.65 -0.17 0.00 0.00 175.17 176.26 3gk0 h PRO 34 N 7.78 0.03 -0.23 4.34 0.11 -1.88 -2.18 132.00 139.98 3gk0 h PRO 34 Ca -0.23 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 3gk0 h PRO 34 Cb 1.09 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3gk0 h PRO 34 CO 0.89 0.07 -0.15 0.28 -0.21 0.00 0.00 178.00 178.88 3gk0 h VAL 35 N 0.03 1.31 -0.51 3.15 2.07 -1.91 -1.64 116.25 118.76 3gk0 h VAL 35 Ca 0.01 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3gk0 h VAL 35 Cb 0.09 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3gk0 h VAL 35 CO 0.00 0.39 0.28 -0.09 0.02 0.00 0.00 177.57 178.17 3gk0 h ARG 36 N 0.21 0.71 -0.65 1.57 2.43 -1.92 -2.25 114.38 114.47 3gk0 h ARG 36 Ca 0.05 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3gk0 h ARG 36 Cb 0.67 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 3gk0 h ARG 36 CO 0.04 0.55 0.35 0.00 -1.51 0.00 0.00 179.97 179.40 3gk0 h ALA 37 N 1.12 0.87 0.08 2.80 0.00 -1.33 -0.67 119.26 122.13 3gk0 h ALA 37 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gk0 h ALA 37 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gk0 h ALA 37 CO -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.17 3gk0 h ALA 38 N 1.36 -0.13 -0.28 0.00 0.00 -0.98 -0.95 119.26 118.27 3gk0 h ALA 38 Ca 0.30 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 3gk0 h ALA 38 Cb 0.22 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gk0 h ALA 38 CO -0.20 -0.58 -0.27 -0.07 0.00 0.00 0.00 179.25 178.13 3gk0 h LEU 39 N -0.14 0.58 -0.78 0.00 3.38 -1.15 -2.49 115.31 114.70 3gk0 h LEU 39 Ca -0.00 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 3gk0 h LEU 39 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3gk0 h LEU 39 CO -0.01 0.83 -0.48 0.00 0.09 0.00 0.00 178.44 178.88 3gk0 h ALA 40 N 1.21 0.94 -0.46 1.53 0.00 -0.93 -2.83 119.26 118.72 3gk0 h ALA 40 Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 3gk0 h ALA 40 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3gk0 h ALA 40 CO 0.06 0.60 -0.13 0.00 0.00 0.00 0.00 179.25 179.77 3gk0 h ALA 41 N 1.52 0.64 -0.47 0.00 0.00 -0.75 -2.20 119.26 118.00 3gk0 h ALA 41 Ca -0.00 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3gk0 h ALA 41 Cb 1.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3gk0 h ALA 41 CO 0.06 0.56 0.28 0.93 0.00 0.00 0.00 179.25 181.08 3gk0 h GLU 42 N 0.75 0.54 0.00 0.00 5.08 -1.32 -1.30 114.58 118.33 3gk0 h GLU 42 Ca 0.11 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3gk0 h GLU 42 Cb 0.69 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3gk0 h GLU 42 CO 0.05 0.36 -0.09 -0.44 -1.00 0.00 0.00 179.01 177.89 3gk0 h ASP 43 N 0.56 0.00 0.78 1.42 3.32 -1.38 -1.82 116.42 119.30 3gk0 h ASP 43 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3gk0 h ASP 43 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3gk0 h ASP 43 CO -0.09 0.09 -0.15 0.00 -1.72 0.00 0.00 179.24 177.36 3gk0 n ALA 44 N -2.42 2.73 0.00 3.45 0.00 -0.84 -4.93 120.51 118.50 3gk0 n ALA 44 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3gk0 n ALA 44 Cb 0.17 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.47 0.86 3.77 0.00 0.00 -0.68 -4.13 105.19 106.47 3gk0 n GLY 45 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.85 3.42 -0.15 4.61 0.00 -0.54 -4.81 121.76 122.43 3gk0 s ALA 46 Ca 0.00 1.32 0.22 0.00 0.00 0.00 0.00 51.96 53.50 3gk0 s ALA 46 Cb 0.00 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 3gk0 s ALA 46 CO 0.00 -0.80 0.82 -0.25 0.00 0.00 0.00 175.76 175.53 3gk0 n ASP 47 N 0.46 0.52 -3.73 0.00 8.00 0.07 -4.54 116.55 117.33 3gk0 n ASP 47 Ca 0.02 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.59 3gk0 n ASP 47 Cb 0.42 1.04 -0.07 0.00 -0.02 0.00 0.00 41.12 42.49 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 -3.42 -0.80 -0.17 2.24 0.00 -1.07 -3.72 121.76 114.82 3gk0 s ALA 48 Ca -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 3gk0 s ALA 48 Cb 0.11 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 3gk0 s ALA 48 CO 0.84 -0.39 -0.02 0.42 0.00 0.00 0.00 175.76 176.60 3gk0 s ILE 49 N -2.27 3.96 -0.08 0.00 -1.09 0.02 -1.44 121.20 120.31 3gk0 s ILE 49 Ca -0.07 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.04 3gk0 s ILE 49 Cb -0.02 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.09 3gk0 s ILE 49 CO -0.01 0.47 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.16 3gk0 s THR 50 N 0.55 3.21 -0.09 2.92 2.01 -0.11 -0.17 115.64 123.96 3gk0 s THR 50 Ca -0.02 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 3gk0 s THR 50 Cb -0.14 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.09 3gk0 s THR 50 CO 0.02 0.57 0.24 -1.48 -0.69 0.00 0.00 174.62 173.28 3gk0 s LEU 51 N -0.36 1.07 -0.41 4.42 2.34 -0.87 -1.53 118.68 123.35 3gk0 s LEU 51 Ca 0.04 0.49 -0.10 0.00 0.06 0.00 0.00 54.13 54.62 3gk0 s LEU 51 Cb -0.12 0.84 0.07 0.00 -0.56 0.00 0.00 46.19 46.41 3gk0 s LEU 51 CO 0.02 -0.09 0.24 -2.28 -1.06 0.00 0.00 176.35 173.19 3gk0 s HIS 52 N 0.12 3.31 -0.82 3.48 5.65 -1.26 -0.91 115.29 124.86 3gk0 s HIS 52 Ca -0.00 -1.39 -0.24 0.00 0.25 0.00 0.00 55.06 53.68 3gk0 s HIS 52 Cb -0.02 -2.81 0.06 0.00 -1.18 0.00 0.00 32.58 28.63 3gk0 s HIS 52 CO 0.00 -0.80 1.22 -1.17 -0.65 0.00 0.00 174.74 173.34 3gk0 s LEU 53 N 1.46 3.84 0.54 8.88 0.20 -1.00 -4.32 118.68 128.28 3gk0 s LEU 53 Ca 0.02 -1.07 -0.17 0.00 0.69 0.00 0.00 54.13 53.60 3gk0 s LEU 53 Cb -0.22 -2.50 -0.06 0.00 -0.43 0.00 0.00 46.19 42.98 3gk0 s LEU 53 CO 0.03 -1.54 1.03 -0.13 -0.29 0.00 0.00 176.35 175.45 3gk0 s ARG 54 N 4.66 3.63 0.41 1.98 0.52 -1.26 -4.68 118.95 124.20 3gk0 s ARG 54 Ca 0.34 1.16 0.08 0.00 -0.52 0.00 0.00 55.73 56.80 3gk0 s ARG 54 Cb -0.08 -2.08 0.85 0.00 0.52 0.00 0.00 34.95 34.16 3gk0 s ARG 54 CO 0.04 -0.55 2.01 1.49 0.02 0.00 0.00 175.30 178.31 3gk0 h GLU 55 N 0.86 0.41 -0.01 3.54 4.81 -1.97 -1.49 114.58 120.74 3gk0 h GLU 55 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3gk0 h GLU 55 Cb 1.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3gk0 h GLU 55 CO 0.59 0.35 -0.14 -0.40 -0.73 0.00 0.00 179.01 178.68 3gk0 n ASP 56 N -4.41 0.84 -3.66 1.04 5.68 -1.26 -4.97 116.55 109.82 3gk0 n ASP 56 Ca 0.01 -0.88 -0.25 0.00 -0.50 0.00 0.00 54.79 53.18 3gk0 n ASP 56 Cb 0.14 0.02 0.07 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.64 -7.22 -0.18 0.11 5.12 -0.56 -4.91 116.66 108.38 3gk0 n ARG 57 Ca 0.15 0.77 -0.10 0.00 -1.93 0.00 0.00 57.85 56.74 3gk0 n ARG 57 Cb 0.31 -5.77 0.01 0.00 -1.16 0.00 0.00 32.46 25.84 3gk0 n ARG 57 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gk0 h ARG 58 N -2.47 0.96 0.00 5.56 -0.00 -1.93 -3.43 114.38 113.07 3gk0 h ARG 58 Ca -0.58 -0.35 0.00 0.00 -0.50 0.00 0.00 59.98 58.55 3gk0 h ARG 58 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.27 3gk0 h ARG 58 CO 0.58 1.02 0.00 -2.39 0.00 0.00 0.00 179.97 179.18 3gk0 n HIS 59 N -4.21 0.00 -2.56 3.04 -0.00 -1.26 -4.88 115.22 105.34 3gk0 n HIS 59 Ca 0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.33 3gk0 n HIS 59 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.32 3gk0 n HIS 59 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3gk0 s ILE 60 N -0.80 3.67 0.43 0.61 -1.09 -1.26 -4.67 121.20 118.09 3gk0 s ILE 60 Ca 0.00 1.69 0.06 0.00 -2.23 0.00 0.00 60.65 60.17 3gk0 s ILE 60 Cb 0.00 -4.07 -0.07 0.00 -1.58 0.00 0.00 42.46 36.74 3gk0 s ILE 60 CO 0.00 0.40 0.03 0.68 -1.23 0.00 0.00 174.94 174.82 3gk0 s VAL 61 N -1.17 1.90 0.28 2.92 -7.23 -1.26 -4.47 120.40 111.37 3gk0 s VAL 61 Ca 0.43 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.61 3gk0 s VAL 61 Cb -0.30 -2.87 0.21 0.00 0.56 0.00 0.00 36.38 33.98 3gk0 s VAL 61 CO 0.38 0.00 1.89 0.44 -0.31 0.00 0.00 175.10 177.50 3gk0 h ASP 62 N 1.67 0.92 -0.99 4.85 5.19 -1.97 -2.22 116.42 123.87 3gk0 h ASP 62 Ca -0.44 -0.09 0.01 0.00 -0.62 0.00 0.00 57.03 55.90 3gk0 h ASP 62 Cb 1.25 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 3gk0 h ASP 62 CO 0.79 0.76 0.65 0.00 -3.12 0.00 0.00 179.24 178.32 3gk0 h ALA 63 N 1.39 1.25 -0.10 3.45 0.00 -1.98 -0.39 119.26 122.88 3gk0 h ALA 63 Ca 0.26 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3gk0 h ALA 63 Cb 0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3gk0 h ALA 63 CO -0.04 0.65 -0.06 -0.44 0.00 0.00 0.00 179.25 179.36 3gk0 h ASP 64 N 1.34 -0.19 -0.33 0.00 3.45 -1.81 -0.54 116.42 118.34 3gk0 h ASP 64 Ca 0.36 0.04 -0.12 0.00 0.43 0.00 0.00 57.03 57.74 3gk0 h ASP 64 Cb -0.15 0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3gk0 h ASP 64 CO -0.08 -0.08 -0.28 0.58 -1.57 0.00 0.00 179.24 177.81 3gk0 h VAL 65 N -0.06 1.29 -0.57 -1.35 2.07 -1.35 -1.28 116.25 115.01 3gk0 h VAL 65 Ca 0.06 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 3gk0 h VAL 65 Cb 0.14 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3gk0 h VAL 65 CO -0.13 0.47 0.02 0.03 0.02 0.00 0.00 177.57 177.97 3gk0 h ARG 66 N 0.54 1.00 0.04 1.57 -0.00 -1.00 -2.48 114.38 114.04 3gk0 h ARG 66 Ca 0.06 -0.31 -0.25 0.00 -0.50 0.00 0.00 59.98 58.98 3gk0 h ARG 66 Cb 0.85 -0.10 0.01 0.00 0.00 0.00 0.00 29.97 30.73 3gk0 h ARG 66 CO 0.07 0.98 -1.05 1.79 0.00 0.00 0.00 179.97 181.76 3gk0 h THR 67 N 0.89 1.41 -0.21 2.04 1.35 -1.06 -3.27 112.91 114.06 3gk0 h THR 67 Ca 0.16 -2.58 -0.10 0.00 -0.55 0.00 0.00 66.41 63.34 3gk0 h THR 67 Cb 0.52 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 3gk0 h THR 67 CO 0.03 0.77 -0.30 0.25 -0.25 0.00 0.00 175.52 176.01 3gk0 h LEU 68 N 0.20 0.42 0.14 3.87 5.85 -1.25 -3.39 115.31 121.16 3gk0 h LEU 68 Ca -0.11 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3gk0 h LEU 68 Cb 1.71 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 3gk0 h LEU 68 CO 0.18 0.71 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.77 3gk0 h ARG 69 N 0.36 -0.29 0.00 1.25 9.65 -1.49 -1.89 114.38 121.98 3gk0 h ARG 69 Ca 0.05 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3gk0 h ARG 69 Cb 0.72 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.36 3gk0 h ARG 69 CO 0.05 -0.19 -0.01 -1.00 2.80 0.00 0.00 179.97 181.62 3gk0 h PRO 70 N -0.30 0.00 -0.00 0.20 0.13 -1.76 -3.07 132.00 127.20 3gk0 h PRO 70 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gk0 h PRO 70 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 3gk0 h PRO 70 CO -0.03 0.01 -0.63 0.54 -0.23 0.00 0.00 178.00 177.66 3gk0 n ARG 71 N -3.15 0.06 -1.90 0.86 1.74 -0.76 -4.93 116.66 108.58 3gk0 n ARG 71 Ca -0.01 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 3gk0 n ARG 71 Cb 0.18 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 3gk0 n ARG 71 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gk0 s VAL 72 N -2.97 3.07 -0.14 1.55 1.01 -0.92 -4.89 120.40 117.11 3gk0 s VAL 72 Ca 0.11 0.45 0.22 0.00 0.00 0.00 0.00 61.98 62.76 3gk0 s VAL 72 Cb 0.17 -3.29 -0.17 0.00 0.00 0.00 0.00 36.38 33.10 3gk0 s VAL 72 CO 0.74 -0.01 0.77 0.29 0.00 0.00 0.00 175.10 176.89 3gk0 n LYS 73 N 5.95 0.63 0.00 2.72 5.02 -1.26 -4.85 118.16 126.36 3gk0 n LYS 73 Ca 0.16 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3gk0 n LYS 73 Cb 0.41 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3gk0 n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gk0 n THR 74 N -2.46 0.00 -3.73 -0.18 -2.24 -1.26 -5.13 114.28 99.27 3gk0 n THR 74 Ca -0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 3gk0 n THR 74 Cb 0.56 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 3gk0 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gk0 s ARG 75 N 1.17 0.68 -0.14 -0.78 1.70 -1.24 -5.04 118.95 115.30 3gk0 s ARG 75 Ca 0.00 -0.02 -0.14 0.00 -0.47 0.00 0.00 55.73 55.10 3gk0 s ARG 75 Cb 0.00 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 3gk0 s ARG 75 CO 0.00 -0.18 0.32 1.41 -1.08 0.00 0.00 175.30 175.77 3gk0 s MET 76 N -1.06 4.20 -0.34 3.89 -2.45 -1.26 -0.79 119.30 121.48 3gk0 s MET 76 Ca -0.11 0.16 -0.03 0.00 -1.25 0.00 0.00 55.69 54.47 3gk0 s MET 76 Cb -0.04 -3.40 0.07 0.00 1.25 0.00 0.00 34.83 32.71 3gk0 s MET 76 CO 0.04 0.29 0.09 1.21 1.05 0.00 0.00 175.02 177.70 3gk0 s ASN 77 N 0.29 5.08 -0.29 1.11 2.47 0.76 -1.17 114.94 123.18 3gk0 s ASN 77 Ca 0.18 -1.54 -0.17 0.00 0.42 0.00 0.00 52.86 51.76 3gk0 s ASN 77 Cb -0.14 -1.77 -0.02 0.00 -1.45 0.00 0.00 41.25 37.87 3gk0 s ASN 77 CO 0.06 -0.37 0.46 -0.22 -3.72 0.00 0.00 177.10 173.31 3gk0 s LEU 78 N 1.23 4.13 -0.13 3.21 0.20 -0.60 -2.05 118.68 124.67 3gk0 s LEU 78 Ca 0.00 0.29 -0.22 0.00 0.69 0.00 0.00 54.13 54.89 3gk0 s LEU 78 Cb -0.21 -2.56 -0.03 0.00 -0.43 0.00 0.00 46.19 42.96 3gk0 s LEU 78 CO -0.02 -0.30 0.65 -1.61 -0.29 0.00 0.00 176.35 174.77 3gk0 s GLU 79 N 2.25 4.33 0.21 1.98 2.02 -0.09 -0.69 118.70 128.71 3gk0 s GLU 79 Ca 0.18 0.72 -0.11 0.00 0.02 0.00 0.00 54.97 55.78 3gk0 s GLU 79 Cb -0.16 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.57 3gk0 s GLU 79 CO 0.11 -0.05 0.40 0.00 0.02 0.00 0.00 175.26 175.73 3gk0 s ALA 81 N -4.00 3.52 -1.33 0.00 0.00 -1.26 -2.09 121.76 116.61 3gk0 s ALA 81 Ca 0.21 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 3gk0 s ALA 81 Cb 0.01 -2.40 0.10 0.00 0.00 0.00 0.00 23.12 20.84 3gk0 s ALA 81 CO 0.05 -0.16 1.87 0.28 0.00 0.00 0.00 175.76 177.79 3gk0 n VAL 82 N -1.92 3.95 -3.90 0.00 0.31 -1.26 -4.36 118.33 111.15 3gk0 n VAL 82 Ca -0.01 -3.96 -0.10 0.00 -0.01 0.00 0.00 64.34 60.25 3gk0 n VAL 82 Cb 0.55 -2.45 -0.10 0.00 -0.91 0.00 0.00 33.84 30.93 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 2.45 0.10 0.17 2.52 -4.23 -1.26 -5.05 115.64 110.35 3gk0 s THR 83 Ca 0.46 -0.84 -0.21 0.00 -1.18 0.00 0.00 61.69 59.93 3gk0 s THR 83 Cb 0.07 -0.53 0.10 0.00 1.34 0.00 0.00 72.50 73.48 3gk0 s THR 83 CO -0.01 -0.46 1.61 -0.65 -0.54 0.00 0.00 174.62 174.57 3gk0 h PRO 84 N 4.16 -0.18 -0.58 3.99 0.11 -1.98 -1.52 132.00 136.00 3gk0 h PRO 84 Ca -0.31 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.93 3gk0 h PRO 84 Cb 1.19 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 3gk0 h PRO 84 CO 0.43 -0.12 -0.09 1.49 -0.21 0.00 0.00 178.00 179.50 3gk0 h GLU 85 N -0.19 0.04 0.13 1.05 4.81 -1.98 0.27 114.58 118.71 3gk0 h GLU 85 Ca 0.20 -0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.15 3gk0 h GLU 85 Cb 0.51 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.89 3gk0 h GLU 85 CO -0.56 0.02 -1.23 0.52 -0.73 0.00 0.00 179.01 177.04 3gk0 h MET 86 N 0.04 0.35 -0.62 1.92 0.00 -1.77 -1.72 114.93 113.12 3gk0 h MET 86 Ca 0.29 -0.54 -0.04 0.00 0.00 0.00 0.00 59.70 59.40 3gk0 h MET 86 Cb 0.45 0.19 -0.03 0.00 0.00 0.00 0.00 31.60 32.22 3gk0 h MET 86 CO -0.56 1.24 0.23 -0.07 0.00 0.00 0.00 176.91 177.74 3gk0 h LEU 87 N 0.12 0.87 -0.89 1.22 3.38 -0.83 0.23 115.31 119.42 3gk0 h LEU 87 Ca -0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3gk0 h LEU 87 Cb 1.93 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 3gk0 h LEU 87 CO 0.21 0.82 0.36 0.44 0.09 0.00 0.00 178.44 180.36 3gk0 h ASP 88 N 0.87 1.07 -0.13 -0.43 3.32 -0.45 -1.14 116.42 119.53 3gk0 h ASP 88 Ca 0.20 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3gk0 h ASP 88 Cb 0.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3gk0 h ASP 88 CO -0.01 0.92 0.04 0.40 -1.72 0.00 0.00 179.24 178.87 3gk0 h ILE 89 N 1.15 1.17 -0.97 0.35 2.04 -0.83 -2.05 117.51 118.38 3gk0 h ILE 89 Ca 0.27 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.71 3gk0 h ILE 89 Cb 0.15 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3gk0 h ILE 89 CO -0.03 0.15 0.62 0.00 0.00 0.00 0.00 178.15 178.90 3gk0 h ALA 90 N 0.87 1.50 -0.22 1.87 0.00 -0.21 0.42 119.26 123.49 3gk0 h ALA 90 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3gk0 h ALA 90 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3gk0 h ALA 90 CO -0.00 0.32 -0.23 0.00 0.00 0.00 0.00 179.25 179.34 3gk0 h GLU 92 N 0.35 0.27 -0.03 0.00 4.57 -0.23 -3.21 114.58 116.30 3gk0 h GLU 92 Ca 0.06 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3gk0 h GLU 92 Cb 0.59 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3gk0 h GLU 92 CO 0.04 0.36 -0.47 0.82 -1.18 0.00 0.00 179.01 178.58 3gk0 h ILE 93 N 0.13 1.34 -6.27 2.32 1.08 -0.97 -3.47 117.51 111.67 3gk0 h ILE 93 Ca 0.06 -1.63 -0.46 0.00 -0.39 0.00 0.00 64.86 62.45 3gk0 h ILE 93 Cb 0.19 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 3gk0 h ILE 93 CO -0.00 0.47 -0.85 0.54 -0.69 0.00 0.00 178.15 177.61 3gk0 n ARG 94 N -3.98 -4.24 -1.20 2.37 5.12 -0.59 -4.94 116.66 109.20 3gk0 n ARG 94 Ca -0.02 0.53 -0.33 0.00 -1.93 0.00 0.00 57.85 56.10 3gk0 n ARG 94 Cb 0.50 -4.92 0.12 0.00 -1.16 0.00 0.00 32.46 27.00 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 -6.24 1.79 0.12 5.56 0.04 -1.26 -4.91 135.00 130.09 3gk0 s PRO 95 Ca 0.03 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.58 3gk0 s PRO 95 Cb -0.02 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 3gk0 s PRO 95 CO 0.85 -2.09 1.72 0.45 0.04 0.00 0.00 177.00 177.97 3gk0 h HIS 96 N -0.80 0.34 -3.21 0.56 3.86 -1.87 -3.41 115.15 110.62 3gk0 h HIS 96 Ca -0.46 -0.01 -0.65 0.00 -1.16 0.00 0.00 60.37 58.09 3gk0 h HIS 96 Cb 1.29 -0.11 -0.19 0.00 1.06 0.00 0.00 27.41 29.46 3gk0 h HIS 96 CO 0.48 0.29 -0.82 -0.51 0.86 0.00 0.00 177.93 178.22 3gk0 s ASP 97 N -5.53 3.40 0.02 2.45 1.01 -0.32 -2.06 116.67 115.64 3gk0 s ASP 97 Ca -0.13 -0.86 0.03 0.00 0.71 0.00 0.00 52.55 52.30 3gk0 s ASP 97 Cb 0.09 -0.25 -0.01 0.00 1.01 0.00 0.00 42.92 43.75 3gk0 s ASP 97 CO 0.71 0.12 -0.11 0.00 0.21 0.00 0.00 175.17 176.10 3gk0 s ALA 98 N -1.67 0.89 -0.23 5.23 0.00 -0.74 -1.56 121.76 123.68 3gk0 s ALA 98 Ca 0.20 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.58 3gk0 s ALA 98 Cb -0.08 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.94 3gk0 s ALA 98 CO 0.10 0.17 -0.10 0.00 0.00 0.00 0.00 175.76 175.93 3gk0 s LEU 100 N 1.27 4.32 0.07 0.00 1.43 -0.16 -2.50 118.68 123.11 3gk0 s LEU 100 Ca -0.05 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 3gk0 s LEU 100 Cb -0.18 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3gk0 s LEU 100 CO -0.07 -0.46 -0.08 0.68 0.23 0.00 0.00 176.35 176.65 3gk0 s VAL 101 N 1.56 0.67 0.16 -1.59 -7.23 -0.89 -1.65 120.40 111.43 3gk0 s VAL 101 Ca 0.55 -1.47 -0.27 0.00 -1.81 0.00 0.00 61.98 58.98 3gk0 s VAL 101 Cb -0.25 -1.11 -0.08 0.00 0.56 0.00 0.00 36.38 35.51 3gk0 s VAL 101 CO 0.25 -0.58 0.83 -2.16 -0.31 0.00 0.00 175.10 173.14 3gk0 s PRO 102 N -2.55 4.64 -0.01 4.82 0.04 -1.26 -4.27 135.00 136.42 3gk0 s PRO 102 Ca 0.00 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.31 3gk0 s PRO 102 Cb -0.04 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 3gk0 s PRO 102 CO -0.01 0.49 0.00 0.39 0.04 0.00 0.00 177.00 177.91 3gk0 n GLU 103 N 1.82 3.54 -3.98 4.56 1.02 -1.26 -5.01 120.64 121.32 3gk0 n GLU 103 Ca -0.04 -0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.82 3gk0 n GLU 103 Cb 0.48 -1.02 -0.04 0.00 -0.02 0.00 0.00 31.44 30.84 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 -2.03 3.25 0.41 3.49 1.02 -1.26 -5.01 119.74 119.61 3gk0 s LYS 104 Ca -0.00 -0.62 0.12 0.00 0.02 0.00 0.00 55.97 55.49 3gk0 s LYS 104 Cb 0.00 -2.89 0.95 0.00 -0.52 0.00 0.00 37.83 35.38 3gk0 s LYS 104 CO 0.04 0.54 1.94 0.07 -0.92 0.00 0.00 175.35 177.02 3gk0 h ARG 105 N 2.61 0.50 0.00 1.68 -0.00 -1.97 -1.37 114.38 115.84 3gk0 h ARG 105 Ca -0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 3gk0 h ARG 105 Cb 1.18 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 31.04 3gk0 h ARG 105 CO 0.69 0.33 0.00 -1.13 -0.00 0.00 0.00 179.97 179.87 3gk0 n SER 106 N -4.49 0.00 -0.25 0.08 3.41 -1.26 -3.37 113.62 107.74 3gk0 n SER 106 Ca 0.13 -0.56 0.04 0.00 -0.26 0.00 0.00 58.87 58.21 3gk0 n SER 106 Cb 0.42 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.07 0.63 -4.36 4.33 1.02 -0.52 -5.00 120.64 115.66 3gk0 n GLU 107 Ca 0.16 -0.81 -0.21 0.00 -0.02 0.00 0.00 57.16 56.28 3gk0 n GLU 107 Cb 0.10 -1.09 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.82 2.51 0.83 -4.62 0.05 -1.22 -0.90 118.68 114.52 3gk0 s LEU 108 Ca 0.08 -0.96 -0.10 0.00 0.05 0.00 0.00 54.13 53.20 3gk0 s LEU 108 Cb 0.06 -0.81 0.14 0.00 -2.05 0.00 0.00 46.19 43.53 3gk0 s LEU 108 CO 0.11 -0.08 1.16 0.42 -0.55 0.00 0.00 176.35 177.41 3gk0 s THR 109 N -2.52 2.10 0.33 5.48 -4.23 -0.48 -4.76 115.64 111.57 3gk0 s THR 109 Ca 0.21 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 3gk0 s THR 109 Cb -0.03 -2.89 0.13 0.00 1.34 0.00 0.00 72.50 71.04 3gk0 s THR 109 CO 0.08 0.00 1.84 0.71 -0.54 0.00 0.00 174.62 176.71 3gk0 h THR 110 N -1.07 1.21 0.00 3.99 1.35 -1.98 -2.14 112.91 114.28 3gk0 h THR 110 Ca -0.43 -0.93 -0.07 0.00 -0.55 0.00 0.00 66.41 64.43 3gk0 h THR 110 Cb 1.27 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3gk0 h THR 110 CO 0.47 0.30 -0.33 -0.08 -0.25 0.00 0.00 175.52 175.63 3gk0 h GLU 111 N 0.39 0.00 0.00 4.72 4.81 -2.05 -3.47 114.58 118.98 3gk0 h GLU 111 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gk0 h GLU 111 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3gk0 h GLU 111 CO 0.03 0.33 0.00 0.41 -0.73 0.00 0.00 179.01 179.04 3gk0 n GLY 112 N 0.18 1.31 3.62 1.92 0.00 -0.81 -4.96 105.19 106.45 3gk0 n GLY 112 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.01 1.57 0.04 -0.02 0.00 -1.26 -4.60 107.32 101.05 3gk0 s GLY 113 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 44.72 44.23 3gk0 s GLY 113 CO 0.00 0.43 1.33 -2.27 0.00 0.00 0.00 173.10 172.59 3gk0 s LEU 114 N -6.67 4.34 -1.14 0.66 2.96 -0.41 -1.38 118.68 117.05 3gk0 s LEU 114 Ca 0.66 2.13 -0.21 0.00 -0.22 0.00 0.00 54.13 56.48 3gk0 s LEU 114 Cb -0.21 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.93 3gk0 s LEU 114 CO 0.60 -0.63 1.72 -0.62 -1.32 0.00 0.00 176.35 176.10 3gk0 s ASP 115 N 1.42 6.15 -0.03 3.68 3.68 -0.08 -4.76 116.67 126.73 3gk0 s ASP 115 Ca 0.62 -1.74 -0.24 0.00 2.13 0.00 0.00 52.55 53.32 3gk0 s ASP 115 Cb -0.32 -2.58 -0.22 0.00 -1.45 0.00 0.00 42.92 38.36 3gk0 s ASP 115 CO 0.28 -1.86 1.10 0.58 0.13 0.00 0.00 175.17 175.40 3gk0 h VAL 116 N 6.30 1.50 -0.93 1.11 2.07 -1.92 -1.80 116.25 122.59 3gk0 h VAL 116 Ca 0.28 -1.79 0.19 0.00 0.82 0.00 0.00 66.70 66.20 3gk0 h VAL 116 Cb 0.94 2.57 -0.11 0.00 -1.52 0.00 0.00 31.29 33.17 3gk0 h VAL 116 CO 1.37 0.49 0.50 0.58 0.02 0.00 0.00 177.57 180.53 3gk0 h VAL 117 N -0.40 0.63 0.00 2.57 2.07 -1.87 -0.36 116.25 118.89 3gk0 h VAL 117 Ca -0.02 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3gk0 h VAL 117 Cb 0.93 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3gk0 h VAL 117 CO 0.05 0.11 0.00 1.23 0.02 0.00 0.00 177.57 178.98 3gk0 h GLY 118 N 0.60 0.00 -3.25 2.17 0.00 -1.89 -3.27 103.07 97.42 3gk0 h GLY 118 Ca 0.54 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.58 3gk0 h GLY 118 CO -0.42 0.00 -0.82 1.42 0.00 0.00 0.00 176.54 176.71 3gk0 n HIS 119 N -2.87 1.34 -0.00 5.60 8.25 -0.70 -4.94 115.22 121.91 3gk0 n HIS 119 Ca 0.04 -1.78 -0.10 0.00 -0.26 0.00 0.00 57.72 55.63 3gk0 n HIS 119 Cb 0.48 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 1.79 -0.65 -0.45 4.41 3.57 -1.15 -1.10 116.94 123.36 3gk0 h PHE 120 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3gk0 h PHE 120 Cb 1.39 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 3gk0 h PHE 120 CO 0.66 -0.32 0.30 -0.44 -2.23 0.00 0.00 178.31 176.28 3gk0 h ASP 121 N -0.31 0.53 -0.40 0.41 3.32 -1.91 0.33 116.42 118.39 3gk0 h ASP 121 Ca 0.10 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.17 3gk0 h ASP 121 Cb 0.46 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3gk0 h ASP 121 CO -0.31 0.39 0.18 0.00 -1.72 0.00 0.00 179.24 177.78 3gk0 h ALA 122 N 1.16 0.49 -0.19 3.45 0.00 -1.87 -2.04 119.26 120.26 3gk0 h ALA 122 Ca 0.17 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3gk0 h ALA 122 Cb -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gk0 h ALA 122 CO -0.03 -0.19 -0.14 0.28 0.00 0.00 0.00 179.25 179.17 3gk0 h VAL 123 N 0.37 1.32 -0.63 0.00 2.07 -0.92 -1.59 116.25 116.87 3gk0 h VAL 123 Ca 0.17 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.55 3gk0 h VAL 123 Cb 0.11 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3gk0 h VAL 123 CO -0.14 0.38 0.21 -0.09 0.02 0.00 0.00 177.57 177.95 3gk0 h ARG 124 N 0.10 0.37 -0.20 1.57 2.43 -0.94 0.50 114.38 118.21 3gk0 h ARG 124 Ca 0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3gk0 h ARG 124 Cb 0.65 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3gk0 h ARG 124 CO 0.04 0.24 0.13 0.00 -1.51 0.00 0.00 179.97 178.87 3gk0 h ALA 125 N 1.45 0.26 -0.90 2.80 0.00 -1.22 -1.80 119.26 119.84 3gk0 h ALA 125 Ca 0.32 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.29 3gk0 h ALA 125 Cb 0.44 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3gk0 h ALA 125 CO -0.34 -0.27 0.57 0.00 0.00 0.00 0.00 179.25 179.20 3gk0 h ALA 126 N 1.08 1.25 -0.52 0.00 0.00 -0.77 0.28 119.26 120.58 3gk0 h ALA 126 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3gk0 h ALA 126 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3gk0 h ALA 126 CO -0.02 0.33 0.01 0.00 0.00 0.00 0.00 179.25 179.57 3gk0 h LYS 128 N 0.80 0.05 -0.35 0.00 3.11 -0.67 -1.42 116.57 118.09 3gk0 h LYS 128 Ca 0.16 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 3gk0 h LYS 128 Cb 0.46 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.67 3gk0 h LYS 128 CO 0.02 0.31 0.23 0.37 -2.81 0.00 0.00 179.45 177.57 3gk0 h GLN 129 N -0.23 0.46 -0.21 1.90 4.15 -0.82 -0.98 115.11 119.37 3gk0 h GLN 129 Ca 0.01 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 3gk0 h GLN 129 Cb 0.29 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 3gk0 h GLN 129 CO 0.00 0.31 -0.54 -0.07 -1.93 0.00 0.00 178.83 176.60 3gk0 h LEU 130 N 0.48 0.70 -1.00 -2.39 3.38 -1.28 -2.66 115.31 112.53 3gk0 h LEU 130 Ca 0.13 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3gk0 h LEU 130 Cb -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3gk0 h LEU 130 CO -0.03 1.10 -0.16 0.00 0.09 0.00 0.00 178.44 179.44 3gk0 h ALA 131 N 0.92 1.16 0.00 1.53 0.00 -1.04 -1.06 119.26 120.77 3gk0 h ALA 131 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gk0 h ALA 131 Cb 1.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gk0 h ALA 131 CO 0.11 0.53 0.00 -0.44 0.00 0.00 0.00 179.25 179.45 3gk0 h ASP 132 N 0.48 0.00 -0.41 0.00 3.32 -1.06 -1.32 116.42 117.43 3gk0 h ASP 132 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3gk0 h ASP 132 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3gk0 h ASP 132 CO 0.04 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 3gk0 n ALA 133 N -2.00 2.44 -0.97 3.45 0.00 -0.76 -4.95 120.51 117.72 3gk0 n ALA 133 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3gk0 n ALA 133 Cb 0.31 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3gk0 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk0 n GLY 134 N 1.29 0.51 3.80 0.00 0.00 -0.50 -4.90 105.19 105.38 3gk0 n GLY 134 Ca 0.17 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 4.83 -0.27 1.61 1.01 -0.47 -4.93 120.40 120.18 3gk0 s VAL 135 Ca 0.00 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.03 3gk0 s VAL 135 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3gk0 s VAL 135 CO 0.00 0.51 0.26 0.00 0.00 0.00 0.00 175.10 175.88 3gk0 s ARG 136 N -0.79 4.00 -0.20 2.72 1.04 -0.87 -3.69 118.95 121.15 3gk0 s ARG 136 Ca 0.29 -0.15 -0.10 0.00 -1.04 0.00 0.00 55.73 54.73 3gk0 s ARG 136 Cb -0.19 -3.64 -0.05 0.00 -2.04 0.00 0.00 34.95 29.04 3gk0 s ARG 136 CO 0.18 -0.18 0.12 0.08 -0.04 0.00 0.00 175.30 175.46 3gk0 s VAL 137 N 1.76 5.31 0.08 4.99 1.01 -1.26 -1.79 120.40 130.49 3gk0 s VAL 137 Ca 0.11 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.29 3gk0 s VAL 137 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3gk0 s VAL 137 CO 0.10 0.43 -0.03 -0.55 0.00 0.00 0.00 175.10 175.05 3gk0 s SER 138 N 0.45 4.84 -0.14 3.32 0.15 0.84 -2.57 113.70 120.59 3gk0 s SER 138 Ca 0.07 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.52 3gk0 s SER 138 Cb -0.12 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 3gk0 s SER 138 CO -0.01 0.19 -0.18 -0.76 1.20 0.00 0.00 173.24 173.69 3gk0 s LEU 139 N -2.15 2.35 -0.40 3.45 1.43 -0.80 -0.99 118.68 121.57 3gk0 s LEU 139 Ca 0.23 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 3gk0 s LEU 139 Cb -0.11 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3gk0 s LEU 139 CO 0.16 0.10 0.91 0.12 0.23 0.00 0.00 176.35 177.86 3gk0 s PHE 140 N 0.73 3.03 0.12 0.29 2.19 -0.66 -1.11 117.98 122.58 3gk0 s PHE 140 Ca -0.08 0.63 -0.03 0.00 0.33 0.00 0.00 56.93 57.78 3gk0 s PHE 140 Cb -0.16 -3.71 -0.03 0.00 -1.31 0.00 0.00 43.02 37.81 3gk0 s PHE 140 CO 0.01 -0.90 0.10 0.96 1.83 0.00 0.00 175.22 177.22 3gk0 s ILE 141 N 3.51 0.11 0.71 3.12 -4.36 -0.59 -1.29 121.20 122.41 3gk0 s ILE 141 Ca 0.37 -1.75 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 3gk0 s ILE 141 Cb -0.12 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.72 3gk0 s ILE 141 CO 0.21 -0.52 1.07 -1.81 0.24 0.00 0.00 174.94 174.13 3gk0 s ASP 142 N -3.00 5.22 -0.09 4.36 1.01 -1.26 -1.48 116.67 121.42 3gk0 s ASP 142 Ca 0.19 1.64 -0.05 0.00 0.71 0.00 0.00 52.55 55.04 3gk0 s ASP 142 Cb 0.07 -2.49 -0.19 0.00 1.01 0.00 0.00 42.92 41.31 3gk0 s ASP 142 CO -0.01 -1.55 3.41 -0.81 0.21 0.00 0.00 175.17 176.42 3gk0 n PRO 143 N -3.20 2.06 -4.31 8.23 -0.04 -1.26 -4.69 135.00 131.78 3gk0 n PRO 143 Ca 0.08 -1.25 -0.35 0.00 -0.04 0.00 0.00 63.50 61.94 3gk0 n PRO 143 Cb 0.53 -2.00 -0.10 0.00 -0.04 0.00 0.00 33.50 31.89 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 1.66 5.22 0.31 3.54 1.01 -1.26 -4.70 116.67 122.44 3gk0 s ASP 144 Ca 0.64 0.08 0.03 0.00 0.71 0.00 0.00 52.55 54.00 3gk0 s ASP 144 Cb 0.33 -1.63 0.61 0.00 1.01 0.00 0.00 42.92 43.24 3gk0 s ASP 144 CO -0.04 0.30 1.86 1.05 0.21 0.00 0.00 175.17 178.55 3gk0 h GLU 145 N 5.75 0.90 -0.68 8.23 4.11 -2.00 -1.73 114.58 129.16 3gk0 h GLU 145 Ca -0.44 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 3gk0 h GLU 145 Cb 1.19 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 3gk0 h GLU 145 CO 0.59 0.60 0.32 0.00 0.07 0.00 0.00 179.01 180.59 3gk0 h ALA 146 N 1.55 1.28 0.06 1.06 0.00 -1.97 -1.52 119.26 119.71 3gk0 h ALA 146 Ca 0.46 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 3gk0 h ALA 146 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gk0 h ALA 146 CO -0.22 0.55 -1.07 1.96 0.00 0.00 0.00 179.25 180.47 3gk0 h GLN 147 N 0.97 0.18 -0.43 0.00 1.08 -1.68 -2.64 115.11 112.59 3gk0 h GLN 147 Ca 0.24 -0.27 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 3gk0 h GLN 147 Cb 0.11 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3gk0 h GLN 147 CO -0.03 1.09 -0.24 0.82 -0.95 0.00 0.00 178.83 179.52 3gk0 h ILE 148 N 0.06 1.27 -0.27 2.54 2.04 -1.18 -0.40 117.51 121.57 3gk0 h ILE 148 Ca -0.07 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.35 3gk0 h ILE 148 Cb 1.78 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3gk0 h ILE 148 CO 0.16 0.47 -0.01 0.03 0.00 0.00 0.00 178.15 178.81 3gk0 h ARG 149 N 0.77 0.48 -0.64 2.37 3.08 -1.34 -2.34 114.38 116.76 3gk0 h ARG 149 Ca 0.10 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3gk0 h ARG 149 Cb 0.79 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3gk0 h ARG 149 CO 0.07 0.64 0.31 0.00 -1.07 0.00 0.00 179.97 179.92 3gk0 h ALA 150 N 0.81 0.83 -0.58 0.04 0.00 -1.43 -1.40 119.26 117.53 3gk0 h ALA 150 Ca 0.07 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 150 Cb 0.43 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3gk0 h ALA 150 CO 0.02 0.39 0.14 0.00 0.00 0.00 0.00 179.25 179.80 3gk0 h ALA 151 N 1.14 0.69 -0.89 0.00 0.00 -0.93 0.62 119.26 119.90 3gk0 h ALA 151 Ca 0.22 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3gk0 h ALA 151 Cb 0.12 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3gk0 h ALA 151 CO -0.03 -0.28 0.58 1.25 0.00 0.00 0.00 179.25 180.77 3gk0 h HIS 152 N 0.28 1.10 -0.03 0.00 6.17 -1.09 -2.03 115.15 119.56 3gk0 h HIS 152 Ca 0.30 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.41 3gk0 h HIS 152 Cb 0.42 -0.37 -0.00 0.00 2.52 0.00 0.00 27.41 29.98 3gk0 h HIS 152 CO -0.23 0.68 0.03 0.93 0.71 0.00 0.00 177.93 180.05 3gk0 h GLU 153 N 1.17 0.00 0.00 5.26 5.08 0.20 -2.91 114.58 123.38 3gk0 h GLU 153 Ca 0.33 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3gk0 h GLU 153 Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3gk0 h GLU 153 CO -0.08 0.00 -0.24 1.79 -1.00 0.00 0.00 179.01 179.47 3gk0 h THR 154 N 0.00 0.46 0.00 1.13 1.35 -0.51 -3.47 112.91 111.87 3gk0 h THR 154 Ca 0.01 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3gk0 h THR 154 Cb 0.06 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3gk0 h THR 154 CO -0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 3gk0 n GLY 155 N 0.82 1.74 3.68 5.82 0.00 -1.10 -4.67 105.19 111.48 3gk0 n GLY 155 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 3gk0 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk0 n ALA 156 N -1.83 1.02 0.91 4.61 0.00 -1.26 -4.91 120.51 119.05 3gk0 n ALA 156 Ca 0.00 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.91 3gk0 n ALA 156 Cb 0.00 -2.43 0.55 0.00 0.00 0.00 0.00 19.45 17.56 3gk0 n ALA 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gk0 n PRO 157 N 5.35 0.05 -4.04 0.00 -0.04 -1.21 -4.70 135.00 130.42 3gk0 n PRO 157 Ca 0.20 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 3gk0 n PRO 157 Cb 0.29 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.94 0.35 0.06 0.52 1.01 -1.06 -1.96 120.40 116.38 3gk0 s VAL 158 Ca 0.14 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3gk0 s VAL 158 Cb 0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3gk0 s VAL 158 CO 0.45 -0.30 -0.17 0.27 0.00 0.00 0.00 175.10 175.35 3gk0 s ILE 159 N -1.07 1.32 -0.16 2.22 -4.36 -0.15 -1.91 121.20 117.09 3gk0 s ILE 159 Ca -0.09 -1.23 0.02 0.00 -0.26 0.00 0.00 60.65 59.08 3gk0 s ILE 159 Cb -0.08 -1.21 0.02 0.00 1.25 0.00 0.00 42.46 42.44 3gk0 s ILE 159 CO -0.00 -0.05 -0.21 -0.70 0.24 0.00 0.00 174.94 174.22 3gk0 s GLU 160 N -1.49 2.98 0.12 0.37 2.12 -0.26 -0.09 118.70 122.44 3gk0 s GLU 160 Ca 0.02 -0.83 -0.25 0.00 0.36 0.00 0.00 54.97 54.27 3gk0 s GLU 160 Cb -0.09 -2.49 -0.07 0.00 0.26 0.00 0.00 34.13 31.74 3gk0 s GLU 160 CO 0.02 -0.12 0.76 -0.51 -0.54 0.00 0.00 175.26 174.88 3gk0 s LEU 161 N 1.06 4.54 -0.82 2.70 1.43 -0.28 -1.54 118.68 125.77 3gk0 s LEU 161 Ca -0.01 1.56 -0.26 0.00 -1.03 0.00 0.00 54.13 54.39 3gk0 s LEU 161 Cb -0.14 -3.25 0.04 0.00 0.03 0.00 0.00 46.19 42.86 3gk0 s LEU 161 CO -0.08 0.15 1.33 -2.28 0.23 0.00 0.00 176.35 175.70 3gk0 s HIS 162 N -0.77 2.35 -2.08 0.29 5.65 -0.55 -4.11 115.29 116.08 3gk0 s HIS 162 Ca 0.36 -0.27 0.15 0.00 0.25 0.00 0.00 55.06 55.56 3gk0 s HIS 162 Cb -0.22 -4.65 0.75 0.00 -1.18 0.00 0.00 32.58 27.28 3gk0 s HIS 162 CO 0.25 -2.04 1.50 0.25 -0.65 0.00 0.00 174.74 174.05 3gk0 n THR 163 N 6.53 0.11 -0.09 0.89 -2.24 -1.26 -4.28 114.28 113.94 3gk0 n THR 163 Ca 0.12 -0.15 0.08 0.00 -2.27 0.00 0.00 64.05 61.83 3gk0 n THR 163 Cb 0.50 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.16 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 5.38 0.69 1.28 3.38 0.00 -1.86 0.14 103.07 112.07 3gk0 h GLY 164 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 47.33 46.81 3gk0 h GLY 164 CO 0.00 0.17 -1.22 -0.09 0.00 0.00 0.00 176.54 175.40 3gk0 h ARG 165 N 0.56 0.60 0.10 4.80 2.43 -1.90 -1.08 114.38 119.89 3gk0 h ARG 165 Ca 0.25 -0.79 0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3gk0 h ARG 165 Cb 0.28 0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 3gk0 h ARG 165 CO -0.07 1.35 -0.27 -0.92 -1.51 0.00 0.00 179.97 178.55 3gk0 h TYR 166 N 0.27 -0.73 -0.54 2.20 5.03 -1.71 -2.62 116.97 118.87 3gk0 h TYR 166 Ca -0.18 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.18 3gk0 h TYR 166 Cb 1.89 0.31 -0.03 0.00 1.55 0.00 0.00 36.73 40.45 3gk0 h TYR 166 CO 0.11 -0.37 0.36 0.00 -1.32 0.00 0.00 178.16 176.93 3gk0 h ALA 167 N 0.26 1.71 -0.05 1.82 0.00 -0.68 -2.25 119.26 120.07 3gk0 h ALA 167 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gk0 h ALA 167 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gk0 h ALA 167 CO -0.17 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 3gk0 n ASP 168 N -4.47 1.57 -4.60 0.00 8.00 -0.42 -4.98 116.55 111.65 3gk0 n ASP 168 Ca 0.06 -1.55 -0.47 0.00 0.71 0.00 0.00 54.79 53.54 3gk0 n ASP 168 Cb 0.12 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3gk0 n ASP 168 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk0 n ALA 169 N 0.23 -0.22 1.04 2.24 0.00 -0.85 -4.89 120.51 118.06 3gk0 n ALA 169 Ca 0.18 0.43 0.12 0.00 0.00 0.00 0.00 53.44 54.17 3gk0 n ALA 169 Cb 0.36 -2.08 0.16 0.00 0.00 0.00 0.00 19.45 17.89 3gk0 n ALA 169 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gk0 n HIS 170 N 1.20 0.00 -3.93 0.00 8.25 -1.26 -4.91 115.22 114.57 3gk0 n HIS 170 Ca 0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.50 3gk0 n HIS 170 Cb 0.28 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.88 -0.01 0.24 0.41 -4.77 -1.26 -5.05 116.67 103.35 3gk0 s ASP 171 Ca 0.13 -0.94 -0.07 0.00 -3.30 0.00 0.00 52.55 48.38 3gk0 s ASP 171 Cb 0.17 0.69 0.26 0.00 -1.09 0.00 0.00 42.92 42.95 3gk0 s ASP 171 CO 0.70 -1.33 1.90 0.00 0.70 0.00 0.00 175.17 177.14 3gk0 h ALA 172 N 2.11 1.18 0.19 2.11 0.00 -1.99 -0.73 119.26 122.14 3gk0 h ALA 172 Ca -0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3gk0 h ALA 172 Cb 1.25 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gk0 h ALA 172 CO 0.33 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.98 3gk0 h ALA 173 N 1.36 -0.25 -0.92 0.00 0.00 -2.00 -1.18 119.26 116.27 3gk0 h ALA 173 Ca 0.35 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3gk0 h ALA 173 Cb -0.05 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3gk0 h ALA 173 CO -0.10 -0.52 0.59 1.49 0.00 0.00 0.00 179.25 180.71 3gk0 h GLU 174 N -0.50 0.92 -0.25 0.00 4.81 -1.95 -1.64 114.58 115.97 3gk0 h GLU 174 Ca -0.03 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 3gk0 h GLU 174 Cb 0.38 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3gk0 h GLU 174 CO 0.04 0.61 -0.32 0.37 -0.73 0.00 0.00 179.01 178.98 3gk0 h GLN 175 N 0.94 0.51 0.18 1.92 4.15 -0.85 -1.52 115.11 120.45 3gk0 h GLN 175 Ca 0.43 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 3gk0 h GLN 175 Cb 0.38 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3gk0 h GLN 175 CO -0.19 0.77 -0.09 1.96 -1.93 0.00 0.00 178.83 179.36 3gk0 h GLN 176 N 0.44 -0.23 -0.68 1.69 1.08 -0.58 -0.01 115.11 116.82 3gk0 h GLN 176 Ca 0.05 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.37 3gk0 h GLN 176 Cb 0.77 0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 28.14 3gk0 h GLN 176 CO 0.06 0.04 -0.40 0.00 -0.95 0.00 0.00 178.83 177.58 3gk0 h ARG 177 N -0.49 -0.15 -0.36 1.46 3.08 -1.19 0.11 114.38 116.85 3gk0 h ARG 177 Ca -0.02 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3gk0 h ARG 177 Cb 0.37 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3gk0 h ARG 177 CO 0.04 -0.10 -0.24 0.93 -1.07 0.00 0.00 179.97 179.54 3gk0 h GLU 178 N -0.15 0.71 -0.96 0.04 4.39 -1.27 -2.42 114.58 114.91 3gk0 h GLU 178 Ca 0.23 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3gk0 h GLU 178 Cb 0.56 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 3gk0 h GLU 178 CO -0.75 0.88 0.61 0.35 -1.16 0.00 0.00 179.01 178.94 3gk0 h PHE 179 N 0.62 1.23 -0.71 4.33 3.57 -0.01 -2.00 116.94 123.97 3gk0 h PHE 179 Ca 0.09 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3gk0 h PHE 179 Cb 0.73 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3gk0 h PHE 179 CO 0.03 0.79 0.21 0.93 -2.23 0.00 0.00 178.31 178.05 3gk0 h GLU 180 N 1.31 1.10 -0.56 1.11 5.08 -0.45 0.15 114.58 122.31 3gk0 h GLU 180 Ca 0.35 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3gk0 h GLU 180 Cb -0.12 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 28.94 3gk0 h GLU 180 CO -0.07 0.95 0.33 0.00 -1.00 0.00 0.00 179.01 179.22 3gk0 h ARG 181 N 1.06 0.63 -0.37 2.33 3.08 -0.97 0.15 114.38 120.29 3gk0 h ARG 181 Ca 0.23 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 3gk0 h ARG 181 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3gk0 h ARG 181 CO -0.01 0.42 -0.02 0.82 -1.07 0.00 0.00 179.97 180.12 3gk0 h ILE 182 N 0.65 1.26 -0.25 2.04 5.03 -0.88 -0.07 117.51 125.28 3gk0 h ILE 182 Ca 0.23 -1.03 0.01 0.00 -0.12 0.00 0.00 64.86 63.96 3gk0 h ILE 182 Cb 0.05 1.19 -0.02 0.00 -3.03 0.00 0.00 36.82 35.01 3gk0 h ILE 182 CO -0.11 0.34 0.15 0.00 -0.68 0.00 0.00 178.15 177.85 3gk0 h ALA 183 N 0.86 0.31 -0.05 1.87 0.00 -0.65 -0.87 119.26 120.73 3gk0 h ALA 183 Ca 0.10 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3gk0 h ALA 183 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3gk0 h ALA 183 CO 0.02 -0.24 -0.73 1.79 0.00 0.00 0.00 179.25 180.10 3gk0 h THR 184 N 0.30 1.42 -0.99 0.00 1.35 -0.94 -2.23 112.91 111.83 3gk0 h THR 184 Ca 0.10 -2.22 0.14 0.00 -0.55 0.00 0.00 66.41 63.88 3gk0 h THR 184 Cb -0.00 2.17 -0.09 0.00 -1.73 0.00 0.00 68.15 68.50 3gk0 h THR 184 CO -0.05 0.66 0.60 1.23 -0.25 0.00 0.00 175.52 177.71 3gk0 h GLY 185 N 1.52 1.66 0.67 5.82 0.00 -0.81 0.05 103.07 111.98 3gk0 h GLY 185 Ca -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3gk0 h GLY 185 CO 0.12 0.07 -0.09 -2.08 0.00 0.00 0.00 176.54 174.56 3gk0 h VAL 186 N 0.88 0.93 -0.47 4.60 2.07 -0.71 -2.04 116.25 121.52 3gk0 h VAL 186 Ca 0.52 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3gk0 h VAL 186 Cb 0.63 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 31.63 3gk0 h VAL 186 CO -0.31 0.15 -0.28 0.44 0.02 0.00 0.00 177.57 177.58 3gk0 h ASP 187 N -0.57 -0.96 -0.79 0.57 3.32 -1.15 -0.26 116.42 116.58 3gk0 h ASP 187 Ca -0.02 0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.28 3gk0 h ASP 187 Cb 0.43 0.48 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 3gk0 h ASP 187 CO 0.04 -0.29 0.52 0.00 -1.72 0.00 0.00 179.24 177.79 3gk0 h ALA 188 N 1.00 1.61 -0.07 3.45 0.00 -0.99 -0.49 119.26 123.78 3gk0 h ALA 188 Ca 0.21 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 188 Cb 0.51 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gk0 h ALA 188 CO -0.58 0.27 -0.51 0.78 0.00 0.00 0.00 179.25 179.21 3gk0 h GLY 189 N 0.87 0.52 1.66 0.00 0.00 -0.52 -3.12 103.07 102.48 3gk0 h GLY 189 Ca 0.33 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3gk0 h GLY 189 CO -0.11 0.69 0.03 -2.22 0.00 0.00 0.00 176.54 174.93 3gk0 h ILE 190 N 0.02 1.16 -0.07 2.60 2.04 -0.92 -0.73 117.51 121.62 3gk0 h ILE 190 Ca -0.04 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 3gk0 h ILE 190 Cb 1.18 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3gk0 h ILE 190 CO 0.10 0.21 -0.21 0.00 0.00 0.00 0.00 178.15 178.25 3gk0 h ALA 191 N 1.62 1.52 -0.08 1.87 0.00 -1.07 -1.81 119.26 121.32 3gk0 h ALA 191 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gk0 h ALA 191 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gk0 h ALA 191 CO 0.00 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.88 3gk0 n LEU 192 N -4.24 1.58 0.00 0.00 4.32 -1.01 -4.94 117.00 112.70 3gk0 n LEU 192 Ca -0.02 -0.59 0.00 0.00 -0.02 0.00 0.00 56.01 55.39 3gk0 n LEU 192 Cb 0.30 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 3gk0 n LEU 192 CO 0.38 0.29 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 3gk0 n GLY 193 N 1.16 0.59 3.80 -0.72 0.00 -0.68 -5.06 105.19 104.29 3gk0 n GLY 193 Ca 0.18 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 4.23 0.22 0.99 1.43 -0.31 -4.99 118.68 120.25 3gk0 s LEU 194 Ca 0.00 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.45 3gk0 s LEU 194 Cb 0.00 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 3gk0 s LEU 194 CO 0.00 -0.11 0.99 -1.59 0.23 0.00 0.00 176.35 175.87 3gk0 s LYS 195 N -2.35 4.76 -0.10 1.70 0.00 -0.83 -3.99 119.74 118.93 3gk0 s LYS 195 Ca 0.51 1.57 0.03 0.00 0.00 0.00 0.00 55.97 58.08 3gk0 s LYS 195 Cb -0.15 -3.28 0.01 0.00 0.00 0.00 0.00 37.83 34.40 3gk0 s LYS 195 CO 0.20 0.36 -0.21 0.54 0.00 0.00 0.00 175.35 176.24 3gk0 s VAL 196 N -0.87 1.87 0.54 1.79 0.11 -1.26 -0.98 120.40 121.61 3gk0 s VAL 196 Ca 0.44 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.63 3gk0 s VAL 196 Cb -0.27 -1.64 0.03 0.00 -1.53 0.00 0.00 36.38 32.97 3gk0 s VAL 196 CO 0.34 0.52 0.33 0.20 -3.33 0.00 0.00 175.10 173.16 3gk0 s ASN 197 N 0.54 4.54 0.36 3.54 0.01 0.86 -1.19 114.94 123.61 3gk0 s ASN 197 Ca -0.15 -1.32 -0.13 0.00 -0.71 0.00 0.00 52.86 50.56 3gk0 s ASN 197 Cb -0.17 0.43 0.05 0.00 0.41 0.00 0.00 41.25 41.97 3gk0 s ASN 197 CO 0.05 -1.06 0.70 0.00 -1.51 0.00 0.00 177.10 175.29 3gk0 n ALA 198 N -1.68 -1.53 0.00 0.60 0.00 -1.01 -1.13 120.51 115.77 3gk0 n ALA 198 Ca -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.21 3gk0 n ALA 198 Cb 0.65 0.94 0.00 0.00 0.00 0.00 0.00 19.45 21.04 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 -0.49 1.95 3.69 0.00 0.00 -1.26 -1.14 105.19 107.93 3gk0 n GLY 199 Ca -0.08 -0.16 -0.50 0.00 0.00 0.00 0.00 46.02 45.29 3gk0 n GLY 199 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3gk0 n HIS 200 N 0.00 2.26 -0.73 1.61 -0.00 -1.26 -1.97 115.22 115.13 3gk0 n HIS 200 Ca 0.00 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.31 3gk0 n HIS 200 Cb 0.00 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.26 3gk0 n HIS 200 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3gk0 n GLY 201 N 4.29 1.13 3.76 1.57 0.00 -1.26 -3.03 105.19 111.65 3gk0 n GLY 201 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 4.45 0.00 0.99 1.43 -0.83 -4.78 118.68 119.94 3gk0 s LEU 202 Ca 0.00 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3gk0 s LEU 202 Cb 0.00 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.43 3gk0 s LEU 202 CO 0.00 -0.20 0.00 0.00 0.23 0.00 0.00 176.35 176.38 3gk0 n HIS 203 N 0.87 -0.04 0.98 0.29 1.44 -1.26 -4.51 115.22 112.98 3gk0 n HIS 203 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 3gk0 n HIS 203 Cb 0.46 0.00 0.56 0.00 0.12 0.00 0.00 29.99 31.13 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 -0.09 -1.40 4.02 -1.26 -2.14 117.16 116.29 3gk0 n TYR 204 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3gk0 n TYR 204 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 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 -1.40 0.40 -0.12 -0.72 -2.24 -1.26 -4.75 114.28 104.19 3gk0 n THR 205 Ca 0.08 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3gk0 n THR 205 Cb 0.24 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.20 0.44 0.21 3.42 0.23 -1.16 -4.74 115.26 113.47 3gk0 n ASN 206 Ca 0.00 -0.73 0.10 0.00 -0.53 0.00 0.00 54.58 53.41 3gk0 n ASN 206 Cb 0.13 0.35 0.40 0.00 -2.08 0.00 0.00 39.78 38.58 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 0.53 -0.07 3.53 3.04 -1.72 -3.35 116.25 118.32 3gk0 h VAL 207 Ca 0.00 -1.22 -0.00 0.00 -1.01 0.00 0.00 66.70 64.47 3gk0 h VAL 207 Cb 0.06 1.85 -0.00 0.00 -2.01 0.00 0.00 31.29 31.19 3gk0 h VAL 207 CO 0.00 0.23 0.03 1.56 -1.01 0.00 0.00 177.57 178.38 3gk0 h GLN 208 N 0.00 0.10 -0.21 4.17 7.50 -1.85 0.12 115.11 124.95 3gk0 h GLN 208 Ca -0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 3gk0 h GLN 208 Cb 0.83 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.33 3gk0 h GLN 208 CO 0.03 0.23 0.07 0.00 -1.50 0.00 0.00 178.83 177.66 3gk0 h ALA 209 N 0.87 1.74 0.10 3.87 0.00 -1.93 -0.73 119.26 123.18 3gk0 h ALA 209 Ca 0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 3gk0 h ALA 209 Cb 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gk0 h ALA 209 CO -0.00 0.21 -1.20 0.82 0.00 0.00 0.00 179.25 179.08 3gk0 h ILE 210 N 0.29 1.32 0.00 0.00 1.08 -1.62 -3.20 117.51 115.37 3gk0 h ILE 210 Ca 0.07 -2.51 -0.05 0.00 -0.39 0.00 0.00 64.86 61.98 3gk0 h ILE 210 Cb 0.08 2.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 3gk0 h ILE 210 CO -0.01 0.76 -0.24 0.00 -0.69 0.00 0.00 178.15 177.98 3gk0 h ALA 211 N 0.39 1.52 0.00 1.87 0.00 -0.44 -2.72 119.26 119.87 3gk0 h ALA 211 Ca -0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3gk0 h ALA 211 Cb 1.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3gk0 h ALA 211 CO 0.22 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3gk0 n ALA 212 N -2.45 1.63 -2.45 0.00 0.00 -0.31 -4.00 120.51 112.92 3gk0 n ALA 212 Ca -0.02 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 3gk0 n ALA 212 Cb 0.30 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -4.37 3.62 0.65 0.00 1.43 -1.03 -4.88 118.68 114.11 3gk0 s LEU 213 Ca 0.04 0.72 0.42 0.00 -1.03 0.00 0.00 54.13 54.28 3gk0 s LEU 213 Cb 0.09 -3.54 2.30 0.00 0.03 0.00 0.00 46.19 45.06 3gk0 s LEU 213 CO 0.37 -1.34 2.34 1.55 0.23 0.00 0.00 176.35 179.51 3gk0 h PRO 214 N 10.04 0.00 0.00 1.29 0.13 -1.89 -2.56 132.00 139.00 3gk0 h PRO 214 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3gk0 h PRO 214 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3gk0 h PRO 214 CO 1.10 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.65 3gk0 h GLY 215 N 0.09 0.00 -5.53 1.56 0.00 -1.95 -3.44 103.07 93.80 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 0.00 176.54 177.01 3gk0 s ILE 216 N -3.26 4.39 -0.09 2.60 1.01 -0.97 -4.42 121.20 120.45 3gk0 s ILE 216 Ca 0.07 1.62 -0.23 0.00 0.00 0.00 0.00 60.65 62.12 3gk0 s ILE 216 Cb 0.09 -4.23 -0.19 0.00 0.01 0.00 0.00 42.46 38.13 3gk0 s ILE 216 CO 0.59 -0.35 0.79 0.00 0.00 0.00 0.00 174.94 175.97 3gk0 h ALA 217 N 8.33 -0.06 -3.64 9.38 0.00 -1.46 -3.46 119.26 128.35 3gk0 h ALA 217 Ca -0.23 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.10 3gk0 h ALA 217 Cb 1.08 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 3gk0 h ALA 217 CO 1.01 -0.13 -0.71 -2.00 0.00 0.00 0.00 179.25 177.42 3gk0 s GLU 218 N -2.80 -0.01 -0.23 0.00 2.12 -1.26 -1.84 118.70 114.69 3gk0 s GLU 218 Ca -0.14 0.08 -0.07 0.00 0.36 0.00 0.00 54.97 55.19 3gk0 s GLU 218 Cb -0.01 -0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 3gk0 s GLU 218 CO 0.54 -0.06 0.06 -0.51 -0.54 0.00 0.00 175.26 174.75 3gk0 s LEU 219 N 0.39 3.51 -0.45 2.70 1.43 -0.61 -2.40 118.68 123.26 3gk0 s LEU 219 Ca -0.03 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3gk0 s LEU 219 Cb -0.05 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.31 3gk0 s LEU 219 CO -0.01 0.03 0.35 0.20 0.23 0.00 0.00 176.35 177.15 3gk0 s ASN 220 N 1.23 6.08 -0.01 2.29 0.01 -0.29 -0.25 114.94 124.00 3gk0 s ASN 220 Ca 0.04 -1.21 0.08 0.00 -0.71 0.00 0.00 52.86 51.07 3gk0 s ASN 220 Cb -0.14 -2.15 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 3gk0 s ASN 220 CO 0.03 -0.57 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.17 3gk0 s ILE 221 N 1.63 2.00 0.00 0.60 1.01 0.37 -4.08 121.20 122.73 3gk0 s ILE 221 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.56 3gk0 s ILE 221 Cb -0.22 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.58 3gk0 s ILE 221 CO 0.07 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.14 3gk0 n GLY 222 N 2.34 0.42 0.31 6.18 0.00 -1.26 -0.61 105.19 112.57 3gk0 n GLY 222 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 0.84 -0.96 1.61 -0.00 -1.91 -2.46 115.15 112.27 3gk0 h HIS 223 Ca 0.00 -0.06 0.04 0.00 -0.00 0.00 0.00 60.37 60.35 3gk0 h HIS 223 Cb 0.00 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 27.10 3gk0 h HIS 223 CO 0.00 0.67 0.63 0.00 -0.00 0.00 0.00 177.93 179.23 3gk0 h ALA 224 N 1.40 1.38 -0.18 5.26 0.00 -1.93 -0.11 119.26 125.09 3gk0 h ALA 224 Ca 0.19 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3gk0 h ALA 224 Cb 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gk0 h ALA 224 CO -0.01 0.52 -0.20 0.82 0.00 0.00 0.00 179.25 180.38 3gk0 h ILE 225 N 1.21 1.34 -0.40 0.00 2.04 -1.78 -0.77 117.51 119.15 3gk0 h ILE 225 Ca 0.38 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 3gk0 h ILE 225 Cb 0.01 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3gk0 h ILE 225 CO -0.12 0.41 0.00 0.58 0.00 0.00 0.00 178.15 179.03 3gk0 h VAL 226 N 0.09 1.22 -0.34 1.67 2.07 -1.36 0.42 116.25 120.01 3gk0 h VAL 226 Ca 0.02 -0.89 -0.16 0.00 0.82 0.00 0.00 66.70 66.50 3gk0 h VAL 226 Cb 0.75 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3gk0 h VAL 226 CO 0.05 0.31 -0.41 0.00 0.02 0.00 0.00 177.57 177.54 3gk0 h ALA 227 N 1.39 0.62 -0.22 1.67 0.00 -0.89 -2.58 119.26 119.25 3gk0 h ALA 227 Ca 0.13 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3gk0 h ALA 227 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gk0 h ALA 227 CO 0.01 0.67 -0.36 1.25 0.00 0.00 0.00 179.25 180.83 3gk0 h HIS 228 N 0.69 0.78 -0.75 0.00 6.17 -0.73 -3.26 115.15 118.05 3gk0 h HIS 228 Ca 0.05 -0.27 0.15 0.00 0.71 0.00 0.00 60.37 61.01 3gk0 h HIS 228 Cb 0.99 -0.15 -0.05 0.00 2.52 0.00 0.00 27.41 30.72 3gk0 h HIS 228 CO 0.06 1.02 0.50 0.00 0.71 0.00 0.00 177.93 180.22 3gk0 h ALA 229 N 0.63 2.14 -0.77 5.26 0.00 0.03 -1.27 119.26 125.27 3gk0 h ALA 229 Ca 0.02 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3gk0 h ALA 229 Cb 0.95 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3gk0 h ALA 229 CO 0.08 -0.34 0.50 0.28 0.00 0.00 0.00 179.25 179.77 3gk0 h VAL 230 N 0.40 0.93 0.03 0.00 2.07 -1.50 0.29 116.25 118.47 3gk0 h VAL 230 Ca 0.37 -0.23 -0.34 0.00 0.82 0.00 0.00 66.70 67.32 3gk0 h VAL 230 Cb 0.87 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3gk0 h VAL 230 CO -0.11 0.12 -2.01 0.49 0.02 0.00 0.00 177.57 176.08 3gk0 n PHE 231 N -4.50 0.74 0.25 1.57 3.72 -0.54 -4.65 117.46 114.04 3gk0 n PHE 231 Ca 0.13 0.22 0.03 0.00 -0.05 0.00 0.00 57.45 57.78 3gk0 n PHE 231 Cb 0.35 -1.12 -0.04 0.00 -0.94 0.00 0.00 39.48 37.73 3gk0 n PHE 231 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gk0 n VAL 232 N -3.12 0.00 0.00 -4.37 0.24 -0.84 -5.11 118.33 105.13 3gk0 n VAL 232 Ca -0.27 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 3gk0 n VAL 232 Cb 1.07 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 34.34 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 1.29 0.31 0.05 7.63 0.00 0.10 -4.64 105.19 109.93 3gk0 n GLY 233 Ca 0.01 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 0.03 -0.81 1.61 2.91 -1.94 -1.56 115.95 116.19 3gk0 h TRP 234 Ca 0.00 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.07 3gk0 h TRP 234 Cb 0.00 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 28.58 3gk0 h TRP 234 CO 0.00 0.17 0.50 0.22 -1.03 0.00 0.00 178.44 178.29 3gk0 h ASP 235 N -0.11 0.78 -0.20 2.65 1.82 -1.91 -1.40 116.42 118.05 3gk0 h ASP 235 Ca 0.01 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.50 3gk0 h ASP 235 Cb 0.15 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 3gk0 h ASP 235 CO -0.00 0.51 -0.47 0.78 -1.61 0.00 0.00 179.24 178.45 3gk0 h ASN 236 N 0.92 0.83 0.09 2.28 2.35 -1.74 -1.48 115.58 118.84 3gk0 h ASN 236 Ca 0.35 -0.41 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 3gk0 h ASN 236 Cb 0.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3gk0 h ASN 236 CO -0.16 1.17 -0.46 0.00 -1.65 0.00 0.00 177.43 176.33 3gk0 h ALA 237 N 0.86 0.87 -0.01 -0.83 0.00 -0.88 -1.73 119.26 117.54 3gk0 h ALA 237 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3gk0 h ALA 237 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3gk0 h ALA 237 CO 0.10 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.27 3gk0 h VAL 238 N 0.36 1.47 -0.97 0.00 2.07 -1.18 -2.68 116.25 115.32 3gk0 h VAL 238 Ca 0.02 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.16 3gk0 h VAL 238 Cb 0.95 2.39 -0.05 0.00 -1.52 0.00 0.00 31.29 33.07 3gk0 h VAL 238 CO 0.08 0.37 0.64 -0.09 0.02 0.00 0.00 177.57 178.59 3gk0 h ARG 239 N -0.55 1.26 -0.11 1.57 2.43 -1.24 -1.72 114.38 116.02 3gk0 h ARG 239 Ca -0.00 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 3gk0 h ARG 239 Cb 0.61 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3gk0 h ARG 239 CO 0.00 0.83 -0.63 1.49 -1.51 0.00 0.00 179.97 180.16 3gk0 h GLU 240 N 1.30 0.39 -0.14 0.20 4.81 -1.39 -0.75 114.58 119.00 3gk0 h GLU 240 Ca 0.36 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3gk0 h GLU 240 Cb -0.13 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3gk0 h GLU 240 CO -0.08 0.89 -0.06 1.98 -0.73 0.00 0.00 179.01 181.01 3gk0 h MET 241 N 0.28 0.29 -0.73 1.92 4.05 -1.10 -2.32 114.93 117.32 3gk0 h MET 241 Ca -0.01 -0.12 0.07 0.00 -0.28 0.00 0.00 59.70 59.36 3gk0 h MET 241 Cb 1.17 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.90 3gk0 h MET 241 CO 0.11 0.60 0.40 -0.22 0.23 0.00 0.00 176.91 178.04 3gk0 h LYS 242 N -0.04 0.70 -0.21 0.39 1.63 -1.19 -1.59 116.57 116.25 3gk0 h LYS 242 Ca 0.03 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 3gk0 h LYS 242 Cb 0.51 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 3gk0 h LYS 242 CO 0.02 0.46 -0.39 0.00 -3.45 0.00 0.00 179.45 176.09 3gk0 h ALA 243 N 1.39 0.93 -0.29 5.00 0.00 -1.08 0.10 119.26 125.31 3gk0 h ALA 243 Ca 0.34 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3gk0 h ALA 243 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gk0 h ALA 243 CO -0.21 0.63 -0.32 0.82 0.00 0.00 0.00 179.25 180.17 3gk0 h ILE 244 N 0.40 1.28 -0.16 0.00 2.04 -1.19 -0.96 117.51 118.92 3gk0 h ILE 244 Ca 0.04 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 3gk0 h ILE 244 Cb 0.86 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3gk0 h ILE 244 CO 0.07 0.46 -0.03 0.24 0.00 0.00 0.00 178.15 178.90 3gk0 h MET 245 N 0.53 0.30 -0.54 2.37 2.86 -0.70 -2.15 114.93 117.60 3gk0 h MET 245 Ca 0.06 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3gk0 h MET 245 Cb 0.81 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 3gk0 h MET 245 CO 0.07 0.56 0.20 0.28 1.06 0.00 0.00 176.91 179.08 3gk0 h VAL 246 N 0.01 1.22 -0.29 -2.22 2.07 -0.99 -1.67 116.25 114.38 3gk0 h VAL 246 Ca 0.04 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3gk0 h VAL 246 Cb 0.44 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3gk0 h VAL 246 CO 0.01 0.27 0.19 0.00 0.02 0.00 0.00 177.57 178.06 3gk0 h ALA 247 N 1.05 0.37 -0.52 1.67 0.00 -1.12 -0.82 119.26 119.89 3gk0 h ALA 247 Ca 0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3gk0 h ALA 247 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gk0 h ALA 247 CO -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 179.25 179.01 3gk0 h ALA 248 N 1.10 0.70 0.68 0.00 0.00 -1.34 -2.54 119.26 117.86 3gk0 h ALA 248 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3gk0 h ALA 248 Cb -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gk0 h ALA 248 CO -0.02 0.58 -0.33 -0.09 0.00 0.00 0.00 179.25 179.39 3gk0 h ARG 249 N 0.82 -0.88 -0.96 0.00 9.65 -1.05 -2.31 114.38 119.66 3gk0 h ARG 249 Ca 0.14 0.06 0.07 0.00 -1.10 0.00 0.00 59.98 59.15 3gk0 h ARG 249 Cb 0.61 0.20 -0.06 0.00 -1.39 0.00 0.00 29.97 29.33 3gk0 h ARG 249 CO 0.04 -0.55 0.62 0.28 2.80 0.00 0.00 179.97 183.15 3gk0 h VAL 250 N -1.14 1.06 0.00 0.20 2.07 -1.23 -1.63 116.25 115.57 3gk0 h VAL 250 Ca -0.09 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 3gk0 h VAL 250 Cb 0.73 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3gk0 h VAL 250 CO 0.15 0.20 -0.56 0.00 0.02 0.00 0.00 177.57 177.38 3gk0 h ALA 251 N 1.49 0.87 -0.04 1.67 0.00 -1.49 -2.71 119.26 119.06 3gk0 h ALA 251 Ca 0.42 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3gk0 h ALA 251 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gk0 h ALA 251 CO -0.17 0.70 -0.43 0.00 0.00 0.00 0.00 179.25 179.35 3gk0 h ALA 252 N 1.44 1.21 0.00 0.00 0.00 -0.72 -3.18 119.26 118.02 3gk0 h ALA 252 Ca -0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3gk0 h ALA 252 Cb 1.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3gk0 h ALA 252 CO 0.07 0.56 -0.56 -0.07 0.00 0.00 0.00 179.25 179.26 3gk0 h LEU 253 N 0.08 0.00 -1.48 0.00 3.38 -1.12 -3.51 115.31 112.65 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 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3gk0 h LEU 253 CO 0.06 0.56 0.00 1.41 0.09 0.00 0.00 178.44 180.56