#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gka s PRO 10 N 0.00 4.06 0.45 2.12 0.04 -1.26 -5.01 135.00 135.40 3gka s PRO 10 Ca 0.00 0.65 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 3gka s PRO 10 Cb 0.00 -2.73 -0.10 0.00 0.04 0.00 0.00 34.50 31.71 3gka s PRO 10 CO 0.00 0.33 0.97 0.45 0.04 0.00 0.00 177.00 178.79 3gka s SER 11 N -1.94 6.81 0.55 6.66 0.15 -1.26 -4.56 113.70 120.10 3gka s SER 11 Ca 0.46 1.70 0.27 0.00 0.70 0.00 0.00 55.95 59.08 3gka s SER 11 Cb -0.14 -2.54 1.46 0.00 -1.71 0.00 0.00 66.02 63.09 3gka s SER 11 CO 0.19 -0.45 1.97 -0.07 1.20 0.00 0.00 173.24 176.08 3gka h LEU 12 N 1.69 0.00 -1.13 3.45 3.38 -1.94 -1.77 115.31 118.99 3gka h LEU 12 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3gka h LEU 12 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3gka h LEU 12 CO 0.61 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.63 3gka n PHE 13 N -4.14 0.07 -2.80 1.13 3.72 -1.26 -0.25 117.46 113.93 3gka n PHE 13 Ca 0.10 -0.04 -0.35 0.00 -0.05 0.00 0.00 57.45 57.11 3gka n PHE 13 Cb 0.65 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.12 3gka n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3gka s ASP 14 N -1.87 7.18 0.78 4.37 1.01 -0.67 -4.70 116.67 122.77 3gka s ASP 14 Ca 0.36 1.78 -0.14 0.00 0.71 0.00 0.00 52.55 55.25 3gka s ASP 14 Cb 0.20 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.62 3gka s ASP 14 CO 0.31 -0.18 1.06 -2.65 0.21 0.00 0.00 175.17 173.93 3gka n PRO 15 N 0.09 0.29 -4.08 8.23 -0.02 -1.25 -3.51 135.00 134.75 3gka n PRO 15 Ca 0.04 0.17 -0.16 0.00 -2.02 0.00 0.00 63.50 61.53 3gka n PRO 15 Cb 0.52 -2.32 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 3gka n PRO 15 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gka s LEU 16 N -4.37 1.82 -0.23 2.45 2.96 -0.94 -4.92 118.68 115.45 3gka s LEU 16 Ca 0.72 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 54.46 3gka s LEU 16 Cb -0.31 -0.24 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 3gka s LEU 16 CO 0.51 0.02 0.15 -0.89 -1.32 0.00 0.00 176.35 174.83 3gka s THR 17 N 0.16 5.33 -0.18 3.68 2.01 -1.26 0.30 115.64 125.68 3gka s THR 17 Ca -0.01 0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 3gka s THR 17 Cb -0.05 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 3gka s THR 17 CO -0.00 0.36 -0.10 0.27 -0.69 0.00 0.00 174.62 174.45 3gka s ILE 18 N 0.97 3.05 0.00 1.82 -4.36 -0.08 -4.94 121.20 117.66 3gka s ILE 18 Ca 0.07 -0.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.84 3gka s ILE 18 Cb -0.13 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.24 3gka s ILE 18 CO 0.04 0.48 0.00 0.61 0.24 0.00 0.00 174.94 176.31 3gka n GLY 19 N 4.25 3.27 1.05 6.27 0.00 -1.25 -1.02 105.19 117.75 3gka n GLY 19 Ca -0.19 0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3gka n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gka n ASP 20 N 6.30 3.61 -4.45 1.61 5.75 -1.26 -4.96 116.55 123.16 3gka n ASP 20 Ca 0.00 -2.11 -0.35 0.00 -0.01 0.00 0.00 54.79 52.32 3gka n ASP 20 Cb 0.00 -0.39 -0.13 0.00 -1.03 0.00 0.00 41.12 39.57 3gka n ASP 20 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3gka s LEU 21 N -1.21 3.21 -0.11 -2.12 2.96 -0.19 -5.09 118.68 116.14 3gka s LEU 21 Ca 0.38 -0.20 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 3gka s LEU 21 Cb 0.21 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 3gka s LEU 21 CO 0.23 0.08 0.36 -0.89 -1.32 0.00 0.00 176.35 174.82 3gka s THR 22 N 0.88 5.22 -0.07 3.68 2.01 -1.26 -0.90 115.64 125.19 3gka s THR 22 Ca 0.00 0.71 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 3gka s THR 22 Cb -0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3gka s THR 22 CO 0.02 0.43 0.07 -0.76 -0.69 0.00 0.00 174.62 173.70 3gka s LEU 23 N 0.03 3.94 0.43 4.42 1.43 0.15 -4.98 118.68 124.10 3gka s LEU 23 Ca 0.21 0.25 0.18 0.00 -1.03 0.00 0.00 54.13 53.74 3gka s LEU 23 Cb -0.14 -2.07 0.98 0.00 0.03 0.00 0.00 46.19 44.99 3gka s LEU 23 CO 0.08 0.35 1.92 0.00 0.23 0.00 0.00 176.35 178.92 3gka h ALA 24 N 4.71 1.35 -2.97 4.21 0.00 -1.86 -2.49 119.26 122.22 3gka h ALA 24 Ca -0.51 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 3gka h ALA 24 Cb 1.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3gka h ALA 24 CO 0.58 0.33 0.08 0.54 0.00 0.00 0.00 179.25 180.78 3gka s ASN 25 N -6.64 0.36 -0.26 0.00 2.20 -1.26 -3.74 114.94 105.59 3gka s ASN 25 Ca -0.03 -1.26 0.12 0.00 -0.94 0.00 0.00 52.86 50.76 3gka s ASN 25 Cb 0.14 0.77 0.61 0.00 -2.00 0.00 0.00 41.25 40.77 3gka s ASN 25 CO 0.67 -1.51 1.58 0.54 -2.94 0.00 0.00 177.10 175.44 3gka n ARG 26 N -0.54 3.02 -3.39 3.55 1.74 0.66 -4.16 116.66 117.54 3gka n ARG 26 Ca -0.04 -3.02 -0.44 0.00 -0.77 0.00 0.00 57.85 53.57 3gka n ARG 26 Cb 0.61 -1.99 -0.07 0.00 -1.02 0.00 0.00 32.46 29.99 3gka n ARG 26 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gka s ILE 27 N -2.99 4.97 -0.08 0.55 1.01 -1.25 -1.81 121.20 121.60 3gka s ILE 27 Ca 0.48 -1.45 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 3gka s ILE 27 Cb 0.39 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3gka s ILE 27 CO 0.09 -0.77 0.23 -0.63 0.00 0.00 0.00 174.94 173.86 3gka s ILE 28 N 1.55 5.35 -0.27 2.92 -1.09 -0.37 -1.57 121.20 127.73 3gka s ILE 28 Ca 0.04 0.41 -0.22 0.00 -2.23 0.00 0.00 60.65 58.65 3gka s ILE 28 Cb -0.28 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 3gka s ILE 28 CO 0.03 0.61 0.73 -0.32 -1.23 0.00 0.00 174.94 174.75 3gka s MET 29 N -1.04 4.08 0.64 2.79 -2.45 0.60 -1.98 119.30 121.94 3gka s MET 29 Ca 0.18 0.66 -0.16 0.00 -1.25 0.00 0.00 55.69 55.12 3gka s MET 29 Cb -0.14 -3.67 -0.01 0.00 1.25 0.00 0.00 34.83 32.26 3gka s MET 29 CO 0.07 -0.52 1.13 0.00 1.05 0.00 0.00 175.02 176.75 3gka s ALA 30 N 2.72 2.48 0.14 4.11 0.00 -0.49 -1.31 121.76 129.42 3gka s ALA 30 Ca 0.30 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.61 3gka s ALA 30 Cb -0.15 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3gka s ALA 30 CO 0.09 -1.24 1.54 -1.25 0.00 0.00 0.00 175.76 174.90 3gka s PRO 31 N -3.88 4.24 -0.25 0.00 0.04 -1.22 -4.67 135.00 129.27 3gka s PRO 31 Ca 0.69 2.29 -0.03 0.00 0.04 0.00 0.00 61.00 64.00 3gka s PRO 31 Cb -0.23 -3.23 0.08 0.00 0.04 0.00 0.00 34.50 31.16 3gka s PRO 31 CO 0.39 -0.59 0.08 -0.51 0.04 0.00 0.00 177.00 176.41 3gka s LEU 32 N 1.33 1.19 0.03 -3.56 1.43 -1.26 -4.86 118.68 112.97 3gka s LEU 32 Ca 0.69 -1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 3gka s LEU 32 Cb -0.42 -0.56 -0.10 0.00 0.03 0.00 0.00 46.19 45.15 3gka s LEU 32 CO 0.31 -0.38 1.93 0.41 0.23 0.00 0.00 176.35 178.85 3gka n THR 33 N 5.08 0.66 0.00 5.49 -1.04 -1.26 -4.19 114.28 119.01 3gka n THR 33 Ca -0.06 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3gka n THR 33 Cb 0.45 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 3gka n THR 33 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3gka n ARG 34 N 6.98 4.59 -3.44 -2.82 5.12 -1.26 -4.83 116.66 121.00 3gka n ARG 34 Ca 0.20 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.92 3gka n ARG 34 Cb 0.38 -0.51 0.08 0.00 -1.16 0.00 0.00 32.46 31.24 3gka n ARG 34 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gka n ALA 35 N -0.88 -1.38 -0.37 7.54 0.00 -1.26 -4.39 120.51 119.77 3gka n ALA 35 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 53.44 53.77 3gka n ALA 35 Cb 0.00 -4.23 0.26 0.00 0.00 0.00 0.00 19.45 15.48 3gka n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gka n ARG 36 N -4.37 2.96 0.00 0.00 3.00 -1.22 -4.48 116.66 112.54 3gka n ARG 36 Ca -0.07 -2.47 0.14 0.00 -0.01 0.00 0.00 57.85 55.44 3gka n ARG 36 Cb 0.58 -1.52 0.59 0.00 0.00 0.00 0.00 32.46 32.11 3gka n ARG 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gka n ALA 37 N 1.00 2.65 -0.62 7.54 0.00 -0.76 -4.86 120.51 125.47 3gka n ALA 37 Ca 0.19 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.49 3gka n ALA 37 Cb 0.60 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 3gka n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gka n GLY 38 N 1.41 -1.74 0.29 0.00 0.00 -1.24 -2.77 105.19 101.15 3gka n GLY 38 Ca 0.10 -1.26 0.07 0.00 0.00 0.00 0.00 46.02 44.93 3gka n GLY 38 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gka h ASP 39 N -0.29 0.21 0.44 1.61 3.32 -1.96 -2.18 116.42 117.57 3gka h ASP 39 Ca 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gka h ASP 39 Cb 0.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3gka h ASP 39 CO 0.00 0.15 -0.03 0.35 -1.72 0.00 0.00 179.24 177.99 3gka n THR 40 N -4.50 0.00 -2.36 0.35 -2.24 -1.26 -4.91 114.28 99.36 3gka n THR 40 Ca 0.01 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 3gka n THR 40 Cb 0.13 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 3gka n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gka n ARG 41 N -1.15 -1.91 -4.34 -0.78 1.74 -0.82 -4.96 116.66 104.43 3gka n ARG 41 Ca 0.16 0.82 -0.34 0.00 -0.77 0.00 0.00 57.85 57.72 3gka n ARG 41 Cb 0.23 -5.44 -0.14 0.00 -1.02 0.00 0.00 32.46 26.10 3gka n ARG 41 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gka s THR 42 N -2.81 3.42 0.75 0.55 2.01 -1.11 -2.60 115.64 115.83 3gka s THR 42 Ca 0.00 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 3gka s THR 42 Cb 0.00 -2.50 0.05 0.00 0.01 0.00 0.00 72.50 70.06 3gka s THR 42 CO 0.00 0.48 1.24 -2.84 -0.69 0.00 0.00 174.62 172.81 3gka s PRO 43 N 0.77 1.98 0.32 4.92 0.02 -1.26 -4.70 135.00 137.05 3gka s PRO 43 Ca -0.03 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 62.85 3gka s PRO 43 Cb -0.15 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 3gka s PRO 43 CO 0.02 -1.99 0.41 0.54 -0.33 0.00 0.00 177.00 175.65 3gka s ASN 44 N -1.87 0.89 0.46 2.53 2.20 -1.26 -4.41 114.94 113.46 3gka s ASN 44 Ca 0.77 -1.47 0.16 0.00 -0.94 0.00 0.00 52.86 51.38 3gka s ASN 44 Cb -0.32 0.62 1.12 0.00 -2.00 0.00 0.00 41.25 40.66 3gka s ASN 44 CO 0.46 -1.21 1.98 0.00 -2.94 0.00 0.00 177.10 175.40 3gka h ALA 45 N 2.17 2.13 -0.15 3.54 0.00 -1.94 -0.66 119.26 124.34 3gka h ALA 45 Ca -0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3gka h ALA 45 Cb 1.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gka h ALA 45 CO 0.39 -0.27 -0.16 1.25 0.00 0.00 0.00 179.25 180.46 3gka h LEU 46 N 0.31 0.40 -1.26 0.00 5.85 -1.96 -2.16 115.31 116.49 3gka h LEU 46 Ca 0.28 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3gka h LEU 46 Cb 0.66 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3gka h LEU 46 CO -0.07 0.80 0.30 0.24 -0.34 0.00 0.00 178.44 179.38 3gka h MET 47 N 0.00 0.81 -0.35 1.25 2.86 -1.75 -1.90 114.93 115.85 3gka h MET 47 Ca 0.02 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3gka h MET 47 Cb 0.69 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3gka h MET 47 CO 0.04 0.61 0.17 0.00 1.06 0.00 0.00 176.91 178.80 3gka h ALA 48 N 1.52 0.43 -0.29 6.32 0.00 -0.89 -1.04 119.26 125.30 3gka h ALA 48 Ca 0.21 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3gka h ALA 48 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gka h ALA 48 CO -0.03 -0.20 -0.45 0.00 0.00 0.00 0.00 179.25 178.57 3gka h ARG 49 N 0.36 0.76 -0.07 0.00 3.08 -1.18 -0.37 114.38 116.96 3gka h ARG 49 Ca 0.15 -0.43 0.03 0.00 0.07 0.00 0.00 59.98 59.80 3gka h ARG 49 Cb 0.06 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3gka h ARG 49 CO -0.11 1.05 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.82 3gka h TYR 50 N 0.61 -0.25 -0.07 3.04 3.20 -1.16 -1.60 116.97 120.74 3gka h TYR 50 Ca 0.04 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3gka h TYR 50 Cb 1.01 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 3gka h TYR 50 CO 0.05 -0.15 -0.04 1.88 -1.64 0.00 0.00 178.16 178.26 3gka h TYR 51 N -0.14 0.17 -0.89 -3.82 0.05 -1.17 -3.19 116.97 107.98 3gka h TYR 51 Ca 0.06 -0.04 0.17 0.00 0.05 0.00 0.00 58.73 58.97 3gka h TYR 51 Cb 0.23 -0.04 -0.10 0.00 1.01 0.00 0.00 36.73 37.83 3gka h TYR 51 CO -0.20 0.54 0.47 0.00 -1.05 0.00 0.00 178.16 177.92 3gka h ALA 52 N 0.60 1.39 0.00 3.88 0.00 -1.02 0.99 119.26 125.10 3gka h ALA 52 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gka h ALA 52 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gka h ALA 52 CO 0.01 -0.13 0.00 -0.85 0.00 0.00 0.00 179.25 178.28 3gka n GLU 53 N -4.88 0.08 -0.42 0.00 0.28 -0.61 -1.79 120.64 113.30 3gka n GLU 53 Ca 0.19 0.13 0.08 0.00 -0.16 0.00 0.00 57.16 57.40 3gka n GLU 53 Cb 0.50 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.14 3gka n GLU 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3gka n ARG 54 N -1.45 3.22 0.00 3.44 1.74 0.31 -4.42 116.66 119.52 3gka n ARG 54 Ca 0.06 -2.60 0.10 0.00 -0.77 0.00 0.00 57.85 54.64 3gka n ARG 54 Cb 0.22 -1.66 0.45 0.00 -1.02 0.00 0.00 32.46 30.45 3gka n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gka n ALA 55 N 0.59 1.95 0.59 7.54 0.00 -0.74 -2.10 120.51 128.34 3gka n ALA 55 Ca 0.20 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.66 3gka n ALA 55 Cb 0.73 -1.32 0.40 0.00 0.00 0.00 0.00 19.45 19.25 3gka n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gka n SER 56 N -1.44 0.14 -4.77 0.00 3.41 -1.26 -3.52 113.62 106.18 3gka n SER 56 Ca 0.06 0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 3gka n SER 56 Cb 0.21 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 3gka n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gka s ALA 57 N -3.05 3.64 0.26 7.33 0.00 -0.89 -4.87 121.76 124.17 3gka s ALA 57 Ca 0.08 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.62 3gka s ALA 57 Cb 0.11 -3.63 0.56 0.00 0.00 0.00 0.00 23.12 20.16 3gka s ALA 57 CO 0.35 -1.05 1.73 0.78 0.00 0.00 0.00 175.76 177.57 3gka h GLY 58 N 3.65 1.31 -5.34 0.00 0.00 -1.45 -3.42 103.07 97.83 3gka h GLY 58 Ca -0.50 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 3gka h GLY 58 CO 0.70 -0.13 -0.28 -2.27 0.00 0.00 0.00 176.54 174.55 3gka s LEU 59 N -10.44 0.46 -0.20 3.11 2.96 -1.26 -4.32 118.68 108.98 3gka s LEU 59 Ca -0.12 0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 54.48 3gka s LEU 59 Cb 0.22 1.29 -0.04 0.00 0.50 0.00 0.00 46.19 48.16 3gka s LEU 59 CO 0.77 -0.14 0.10 -0.63 -1.32 0.00 0.00 176.35 175.13 3gka s ILE 60 N 0.40 5.05 -0.23 6.68 1.01 -0.26 -0.29 121.20 133.56 3gka s ILE 60 Ca -0.02 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 3gka s ILE 60 Cb -0.04 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 3gka s ILE 60 CO -0.02 0.43 0.13 -0.63 0.00 0.00 0.00 174.94 174.86 3gka s ILE 61 N 0.50 5.19 0.75 2.92 1.01 -0.42 -1.00 121.20 130.15 3gka s ILE 61 Ca 0.05 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 3gka s ILE 61 Cb -0.12 -3.40 0.04 0.00 0.01 0.00 0.00 42.46 38.99 3gka s ILE 61 CO 0.00 0.38 1.08 -0.94 0.00 0.00 0.00 174.94 175.46 3gka s SER 62 N 0.90 4.78 0.52 3.58 1.04 -0.12 -3.37 113.70 121.03 3gka s SER 62 Ca 0.07 1.69 -0.19 0.00 0.48 0.00 0.00 55.95 58.00 3gka s SER 62 Cb -0.13 -2.46 -0.11 0.00 0.10 0.00 0.00 66.02 63.41 3gka s SER 62 CO 0.03 -1.84 0.34 -1.84 0.98 0.00 0.00 173.24 170.91 3gka n GLU 63 N -3.39 0.37 -1.69 4.02 0.28 -1.26 -4.11 120.64 114.85 3gka n GLU 63 Ca 0.08 0.14 -0.44 0.00 -0.16 0.00 0.00 57.16 56.79 3gka n GLU 63 Cb 0.53 -1.46 -0.02 0.00 1.43 0.00 0.00 31.44 31.92 3gka n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3gka n ALA 64 N -1.49 1.60 -3.84 -1.84 0.00 -1.26 -4.28 120.51 109.41 3gka n ALA 64 Ca 0.11 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.69 3gka n ALA 64 Cb 0.46 -2.34 -0.17 0.00 0.00 0.00 0.00 19.45 17.40 3gka n ALA 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gka s THR 65 N 0.01 0.72 0.22 0.00 2.01 -0.46 -4.64 115.64 113.50 3gka s THR 65 Ca 0.67 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 3gka s THR 65 Cb -0.60 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 71.00 3gka s THR 65 CO 0.49 0.30 1.27 -0.44 -0.69 0.00 0.00 174.62 175.55 3gka s SER 66 N 1.83 6.95 0.00 3.53 0.01 -0.99 -1.29 113.70 123.74 3gka s SER 66 Ca 0.05 2.40 0.27 0.00 1.31 0.00 0.00 55.95 59.98 3gka s SER 66 Cb -0.13 -2.62 0.97 0.00 0.21 0.00 0.00 66.02 64.46 3gka s SER 66 CO -0.07 -0.46 1.70 1.33 0.41 0.00 0.00 173.24 176.14 3gka n VAL 67 N 2.23 0.00 -3.57 3.43 0.24 -0.50 -1.33 118.33 118.83 3gka n VAL 67 Ca 0.04 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 3gka n VAL 67 Cb 0.43 0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 33.02 3gka n VAL 67 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3gka s THR 68 N -2.39 0.00 0.33 3.34 -1.32 -1.26 -4.49 115.64 109.85 3gka s THR 68 Ca 0.29 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.88 3gka s THR 68 Cb 0.20 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.51 3gka s THR 68 CO 0.47 0.00 1.70 -0.65 -2.21 0.00 0.00 174.62 173.93 3gka h PRO 69 N 2.36 0.44 -0.02 7.08 0.11 -1.99 0.95 132.00 140.94 3gka h PRO 69 Ca -0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3gka h PRO 69 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gka h PRO 69 CO 0.29 0.29 0.01 0.37 -0.21 0.00 0.00 178.00 178.76 3gka h GLN 70 N 0.46 0.00 -0.78 1.05 4.15 -1.96 -2.79 115.11 115.23 3gka h GLN 70 Ca 0.68 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.86 3gka h GLN 70 Cb 1.41 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.96 3gka h GLN 70 CO -0.54 0.00 0.30 0.41 -1.93 0.00 0.00 178.83 177.08 3gka n GLY 71 N -1.44 3.67 3.85 2.39 0.00 0.33 -4.70 105.19 109.29 3gka n GLY 71 Ca -0.03 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 3gka n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gka s VAL 72 N -2.97 5.23 0.00 1.61 1.01 -1.06 -2.55 120.40 121.68 3gka s VAL 72 Ca 0.55 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.10 3gka s VAL 72 Cb 0.44 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3gka s VAL 72 CO 0.13 0.59 0.08 0.61 0.00 0.00 0.00 175.10 176.51 3gka n GLY 73 N 1.91 0.49 3.18 4.51 0.00 -1.26 -4.75 105.19 109.28 3gka n GLY 73 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3gka n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gka s TYR 74 N -0.00 0.10 0.25 1.61 2.02 -1.26 -4.77 117.35 115.29 3gka s TYR 74 Ca 0.00 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3gka s TYR 74 Cb 0.00 -0.05 -0.09 0.00 -0.40 0.00 0.00 41.96 41.42 3gka s TYR 74 CO 0.00 -0.46 1.17 0.00 -1.57 0.00 0.00 175.55 174.69 3gka s ALA 75 N -3.00 3.44 -1.49 3.71 0.00 -1.26 -3.99 121.76 119.17 3gka s ALA 75 Ca -0.02 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3gka s ALA 75 Cb 0.01 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3gka s ALA 75 CO -0.06 -0.33 0.00 0.43 0.00 0.00 0.00 175.76 175.80 3gka n SER 76 N 1.72 -4.71 -4.86 0.00 7.64 -1.26 -4.80 113.62 107.35 3gka n SER 76 Ca 0.01 0.26 -0.35 0.00 1.01 0.00 0.00 58.87 59.80 3gka n SER 76 Cb 0.44 -3.61 -0.06 0.00 -1.01 0.00 0.00 64.21 59.98 3gka n SER 76 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gka s THR 77 N -2.60 5.08 0.60 0.44 -4.23 -1.26 -1.83 115.64 111.84 3gka s THR 77 Ca 0.00 0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 3gka s THR 77 Cb 0.00 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 3gka s THR 77 CO 0.00 0.33 1.02 -2.16 -0.54 0.00 0.00 174.62 173.26 3gka s PRO 78 N -1.80 3.67 0.47 3.99 0.04 -1.26 -4.69 135.00 135.42 3gka s PRO 78 Ca 0.32 0.78 0.05 0.00 0.04 0.00 0.00 61.00 62.19 3gka s PRO 78 Cb -0.14 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 3gka s PRO 78 CO 0.17 -0.50 0.18 0.20 0.04 0.00 0.00 177.00 177.09 3gka s GLY 79 N -3.96 2.52 -0.03 0.56 0.00 -1.07 -2.35 107.32 102.99 3gka s GLY 79 Ca 0.56 -1.52 0.20 0.00 0.00 0.00 0.00 44.72 43.96 3gka s GLY 79 CO 0.49 -2.00 1.15 4.51 0.00 0.00 0.00 173.10 177.25 3gka n ILE 80 N -1.35 0.37 -0.04 0.90 0.13 -0.44 -4.81 119.36 114.12 3gka n ILE 80 Ca -0.06 -1.22 -0.01 0.00 -1.10 0.00 0.00 62.75 60.36 3gka n ILE 80 Cb 0.65 0.72 -0.15 0.00 -0.84 0.00 0.00 39.64 40.02 3gka n ILE 80 CO 0.00 0.00 0.00 -2.67 2.80 0.00 0.00 176.55 176.68 3gka n TRP 81 N 0.14 0.22 -3.78 9.51 2.14 -1.26 -4.46 117.44 119.96 3gka n TRP 81 Ca 0.07 0.07 -0.26 0.00 2.07 0.00 0.00 57.50 59.45 3gka n TRP 81 Cb 1.01 -0.85 -0.03 0.00 -0.81 0.00 0.00 31.31 30.63 3gka n TRP 81 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3gka s SER 82 N -5.23 6.36 0.38 -0.67 1.04 -1.26 -5.01 113.70 109.32 3gka s SER 82 Ca -0.08 0.30 0.11 0.00 0.48 0.00 0.00 55.95 56.77 3gka s SER 82 Cb 0.09 -1.97 0.77 0.00 0.10 0.00 0.00 66.02 65.02 3gka s SER 82 CO 0.85 -0.03 1.88 -0.65 0.98 0.00 0.00 173.24 176.27 3gka h PRO 83 N 1.92 0.11 -0.65 4.02 0.11 -2.00 -2.06 132.00 133.45 3gka h PRO 83 Ca -0.49 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3gka h PRO 83 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3gka h PRO 83 CO 0.67 0.36 0.16 0.93 -0.21 0.00 0.00 178.00 179.91 3gka h GLU 84 N 0.10 1.04 -0.49 1.05 3.07 -2.00 -2.34 114.58 115.00 3gka h GLU 84 Ca 0.02 -0.25 -0.10 0.00 -0.50 0.00 0.00 59.36 58.52 3gka h GLU 84 Cb 0.50 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3gka h GLU 84 CO 0.04 0.93 -0.10 1.96 -1.40 0.00 0.00 179.01 180.44 3gka h GLN 85 N 0.96 0.94 -0.23 2.33 4.20 -1.84 -2.06 115.11 119.42 3gka h GLN 85 Ca 0.20 -0.35 0.05 0.00 0.06 0.00 0.00 58.65 58.61 3gka h GLN 85 Cb 0.36 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 3gka h GLN 85 CO 0.00 1.01 -0.05 0.28 -0.67 0.00 0.00 178.83 179.40 3gka h VAL 86 N 0.79 0.77 -0.86 -0.54 2.07 -1.26 -0.02 116.25 117.20 3gka h VAL 86 Ca 0.13 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 3gka h VAL 86 Cb 0.65 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3gka h VAL 86 CO 0.04 0.00 0.56 0.44 0.02 0.00 0.00 177.57 178.64 3gka h ASP 87 N 0.00 0.87 0.22 0.57 3.32 -1.33 -0.83 116.42 119.25 3gka h ASP 87 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3gka h ASP 87 Cb 0.17 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3gka h ASP 87 CO -0.23 0.57 -0.10 1.23 -1.72 0.00 0.00 179.24 178.98 3gka h GLY 88 N 1.00 -0.31 1.67 2.75 0.00 -0.64 -2.91 103.07 104.63 3gka h GLY 88 Ca 0.36 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.83 3gka h GLY 88 CO -0.13 -0.11 0.18 1.49 0.00 0.00 0.00 176.54 177.97 3gka h TRP 89 N -0.38 0.26 -0.75 5.60 -0.00 -0.58 -1.67 115.95 118.43 3gka h TRP 89 Ca -0.03 0.01 0.05 0.00 -0.00 0.00 0.00 58.89 58.92 3gka h TRP 89 Cb 0.29 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 29.32 3gka h TRP 89 CO -0.04 0.15 0.49 -0.09 -0.00 0.00 0.00 178.44 178.96 3gka h ARG 90 N 0.27 0.81 -0.74 0.49 9.65 -0.97 0.30 114.38 124.20 3gka h ARG 90 Ca 0.11 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3gka h ARG 90 Cb 0.10 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.46 3gka h ARG 90 CO -0.02 0.54 0.43 -0.07 2.80 0.00 0.00 179.97 183.64 3gka h LEU 91 N 0.84 0.91 -0.00 3.80 3.38 -1.22 -1.06 115.31 121.96 3gka h LEU 91 Ca 0.31 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3gka h LEU 91 Cb 0.17 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gka h LEU 91 CO -0.10 0.72 -0.00 0.58 0.09 0.00 0.00 178.44 179.73 3gka h VAL 92 N 1.02 1.39 -0.73 1.22 2.07 -1.10 -2.36 116.25 117.76 3gka h VAL 92 Ca 0.26 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 3gka h VAL 92 Cb -0.00 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3gka h VAL 92 CO -0.05 0.30 0.27 0.71 0.02 0.00 0.00 177.57 178.82 3gka h THR 93 N -0.49 1.26 -0.42 2.57 1.35 -1.01 -0.97 112.91 115.19 3gka h THR 93 Ca 0.00 -0.83 0.01 0.00 -0.55 0.00 0.00 66.41 65.04 3gka h THR 93 Cb 0.49 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.30 3gka h THR 93 CO 0.00 0.33 0.26 0.44 -0.25 0.00 0.00 175.52 176.30 3gka h ASP 94 N 1.07 0.43 -0.45 5.36 3.32 -1.22 -1.17 116.42 123.75 3gka h ASP 94 Ca 0.24 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 3gka h ASP 94 Cb 0.25 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3gka h ASP 94 CO -0.02 0.31 -0.24 0.00 -1.72 0.00 0.00 179.24 177.57 3gka h ALA 95 N 1.18 0.64 -0.29 3.45 0.00 -1.11 -0.81 119.26 122.33 3gka h ALA 95 Ca 0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3gka h ALA 95 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gka h ALA 95 CO -0.07 0.64 0.13 0.28 0.00 0.00 0.00 179.25 180.23 3gka h VAL 96 N 0.80 1.16 -0.38 0.00 2.07 -1.05 -2.53 116.25 116.32 3gka h VAL 96 Ca 0.10 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3gka h VAL 96 Cb 0.82 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3gka h VAL 96 CO 0.07 0.17 -0.15 0.45 0.02 0.00 0.00 177.57 178.13 3gka h HIS 97 N 0.32 0.76 -0.16 1.57 -0.00 -1.13 -0.36 115.15 116.15 3gka h HIS 97 Ca 0.10 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 3gka h HIS 97 Cb 0.15 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 3gka h HIS 97 CO -0.01 0.80 -0.02 0.00 -0.00 0.00 0.00 177.93 178.69 3gka h ALA 98 N 1.21 1.68 -0.01 2.45 0.00 -1.03 -1.78 119.26 121.79 3gka h ALA 98 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gka h ALA 98 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gka h ALA 98 CO 0.04 0.24 -0.11 0.00 0.00 0.00 0.00 179.25 179.42 3gka n ALA 99 N -2.50 2.79 -0.15 0.00 0.00 -0.96 -4.94 120.51 114.74 3gka n ALA 99 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3gka n ALA 99 Cb 0.18 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3gka n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gka n GLY 100 N 1.24 0.89 3.97 0.00 0.00 -0.67 -4.75 105.19 105.88 3gka n GLY 100 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3gka n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gka s GLY 101 N -1.92 1.77 0.05 -0.02 0.00 -0.20 -4.92 107.32 102.08 3gka s GLY 101 Ca 0.00 -1.45 0.09 0.00 0.00 0.00 0.00 44.72 43.35 3gka s GLY 101 CO 0.00 -0.97 -0.24 0.50 0.00 0.00 0.00 173.10 172.39 3gka s ARG 102 N -5.11 1.59 -0.06 2.90 1.81 -1.26 -4.34 118.95 114.47 3gka s ARG 102 Ca 0.63 -1.07 -0.02 0.00 -1.72 0.00 0.00 55.73 53.55 3gka s ARG 102 Cb -0.07 -1.77 0.03 0.00 -0.45 0.00 0.00 34.95 32.69 3gka s ARG 102 CO 0.43 0.45 0.12 -1.50 -0.68 0.00 0.00 175.30 174.13 3gka s ILE 103 N -0.84 -0.05 -0.08 1.52 2.07 -1.26 -1.11 121.20 121.47 3gka s ILE 103 Ca 0.10 0.17 -0.00 0.00 -1.41 0.00 0.00 60.65 59.51 3gka s ILE 103 Cb -0.10 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 3gka s ILE 103 CO 0.02 0.07 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.72 3gka s PHE 104 N 1.04 3.01 -0.15 3.50 0.40 -0.17 -1.13 117.98 124.49 3gka s PHE 104 Ca -0.08 0.07 -0.23 0.00 -0.60 0.00 0.00 56.93 56.09 3gka s PHE 104 Cb -0.11 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 3gka s PHE 104 CO -0.05 0.36 0.71 -1.17 0.70 0.00 0.00 175.22 175.78 3gka s LEU 105 N -0.79 4.20 -0.31 -0.37 2.96 -0.60 -0.95 118.68 122.82 3gka s LEU 105 Ca 0.12 1.04 -0.29 0.00 -0.22 0.00 0.00 54.13 54.78 3gka s LEU 105 Cb -0.11 -3.05 0.02 0.00 0.50 0.00 0.00 46.19 43.55 3gka s LEU 105 CO 0.02 -0.27 1.09 -1.58 -1.32 0.00 0.00 176.35 174.29 3gka s GLN 106 N 1.67 4.06 -0.05 1.98 0.74 -1.26 -0.89 119.66 125.91 3gka s GLN 106 Ca 0.34 1.10 -0.22 0.00 0.05 0.00 0.00 55.36 56.62 3gka s GLN 106 Cb -0.17 -3.74 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 3gka s GLN 106 CO 0.13 -0.91 0.66 -0.51 -0.55 0.00 0.00 175.29 174.11 3gka s LEU 107 N 3.68 4.34 -0.01 3.68 1.43 0.00 -1.35 118.68 130.46 3gka s LEU 107 Ca 0.46 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 3gka s LEU 107 Cb -0.13 -3.02 -0.00 0.00 0.03 0.00 0.00 46.19 43.07 3gka s LEU 107 CO 0.16 -0.05 -0.04 0.86 0.23 0.00 0.00 176.35 177.50 3gka s TRP 108 N 0.55 0.37 -0.05 0.29 -0.00 -0.41 -1.84 118.94 117.85 3gka s TRP 108 Ca 0.35 -0.07 -0.02 0.00 -0.00 0.00 0.00 56.10 56.36 3gka s TRP 108 Cb -0.18 -0.25 0.03 0.00 -0.00 0.00 0.00 33.47 33.07 3gka s TRP 108 CO 0.17 -0.02 0.05 -1.58 -0.00 0.00 0.00 176.95 175.58 3gka s HIS 109 N -0.01 0.16 0.07 5.86 5.65 -1.26 -1.41 115.29 124.34 3gka s HIS 109 Ca 0.01 0.16 0.32 0.00 0.25 0.00 0.00 55.06 55.79 3gka s HIS 109 Cb -0.03 -0.54 1.27 0.00 -1.18 0.00 0.00 32.58 32.10 3gka s HIS 109 CO -0.00 -0.23 1.95 -0.39 -0.65 0.00 0.00 174.74 175.41 3gka h VAL 110 N 6.42 0.04 0.00 0.89 -1.51 -1.80 -0.49 116.25 119.81 3gka h VAL 110 Ca -0.13 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3gka h VAL 110 Cb 1.12 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 3gka h VAL 110 CO 0.18 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 177.14 3gka n GLY 111 N 0.11 3.48 0.18 5.19 0.00 -1.26 -2.03 105.19 110.85 3gka n GLY 111 Ca 0.01 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3gka n GLY 111 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gka h ARG 112 N 0.00 0.00 -4.47 1.61 0.11 -1.62 -3.36 114.38 106.64 3gka h ARG 112 Ca 0.00 0.00 -0.71 0.00 0.10 0.00 0.00 59.98 59.37 3gka h ARG 112 Cb 0.00 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.02 3gka h ARG 112 CO 0.00 0.00 2.76 0.28 0.10 0.00 0.00 179.97 183.11 3gka n VAL 113 N -2.54 3.67 -3.03 0.08 0.31 -0.86 -4.79 118.33 111.16 3gka n VAL 113 Ca 0.02 -3.46 0.00 0.00 -0.01 0.00 0.00 64.34 60.89 3gka n VAL 113 Cb 0.26 -2.52 0.00 0.00 -0.91 0.00 0.00 33.84 30.68 3gka n VAL 113 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gka n SER 114 N 6.52 0.00 -3.67 4.52 2.88 -1.26 -4.62 113.62 118.00 3gka n SER 114 Ca 0.50 -0.99 -0.15 0.00 -1.33 0.00 0.00 58.87 56.90 3gka n SER 114 Cb 0.41 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 3gka n SER 114 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3gka s ASP 115 N -0.98 -0.43 0.56 -3.46 2.15 -1.26 -4.71 116.67 108.53 3gka s ASP 115 Ca 0.00 0.57 0.32 0.00 0.43 0.00 0.00 52.55 53.87 3gka s ASP 115 Cb 0.00 0.61 1.47 0.00 -0.30 0.00 0.00 42.92 44.69 3gka s ASP 115 CO 0.00 -0.41 1.82 -0.65 -0.17 0.00 0.00 175.17 175.76 3gka h PRO 116 N 4.08 0.00 -0.28 4.34 0.11 -1.89 -0.01 132.00 138.35 3gka h PRO 116 Ca -0.28 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.91 3gka h PRO 116 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3gka h PRO 116 CO 0.33 0.00 0.22 -0.24 -0.21 0.00 0.00 178.00 178.10 3gka h VAL 117 N 0.00 0.75 -0.00 3.15 3.04 -1.93 -0.11 116.25 121.14 3gka h VAL 117 Ca 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.11 3gka h VAL 117 Cb 1.85 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 3gka h VAL 117 CO -0.00 0.00 -0.64 0.49 -1.01 0.00 0.00 177.57 176.41 3gka n PHE 118 N -4.28 0.00 -1.23 3.17 3.72 -0.02 -4.30 117.46 114.52 3gka n PHE 118 Ca 0.04 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.52 3gka n PHE 118 Cb 0.38 -0.13 0.18 0.00 -0.94 0.00 0.00 39.48 38.96 3gka n PHE 118 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3gka n LEU 119 N -1.29 2.77 -4.00 4.37 4.77 -0.63 -4.91 117.00 118.07 3gka n LEU 119 Ca 0.06 -3.34 -0.32 0.00 -0.03 0.00 0.00 56.01 52.38 3gka n LEU 119 Cb 0.34 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3gka n LEU 119 CO 0.36 0.93 0.06 0.47 -1.33 0.00 0.00 177.39 177.88 3gka n ASP 120 N -1.22 -4.28 0.00 -1.43 8.00 -1.07 -1.92 116.55 114.63 3gka n ASP 120 Ca 0.19 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3gka n ASP 120 Cb 0.72 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 3gka n ASP 120 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gka n GLY 121 N -1.61 2.31 3.76 0.44 0.00 -0.15 -5.06 105.19 104.88 3gka n GLY 121 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3gka n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gka s ALA 122 N -2.31 2.47 0.46 4.61 0.00 -0.81 -4.85 121.76 121.34 3gka s ALA 122 Ca 0.00 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 3gka s ALA 122 Cb 0.00 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 3gka s ALA 122 CO 0.00 -1.25 1.04 -0.51 0.00 0.00 0.00 175.76 175.05 3gka s LEU 123 N -4.66 3.93 0.74 0.00 1.43 -1.26 -3.93 118.68 114.92 3gka s LEU 123 Ca 0.69 1.96 -0.15 0.00 -1.03 0.00 0.00 54.13 55.61 3gka s LEU 123 Cb -0.23 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.58 3gka s LEU 123 CO 0.39 -0.71 1.20 -2.84 0.23 0.00 0.00 176.35 174.62 3gka s PRO 124 N -3.03 2.12 0.21 1.29 0.02 -1.26 -4.73 135.00 129.62 3gka s PRO 124 Ca 0.65 1.73 0.06 0.00 0.02 0.00 0.00 61.00 63.45 3gka s PRO 124 Cb -0.18 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3gka s PRO 124 CO 0.22 -1.84 0.19 0.14 -0.33 0.00 0.00 177.00 175.37 3gka s VAL 125 N -2.04 4.53 0.18 3.83 -7.23 -1.26 -0.34 120.40 118.07 3gka s VAL 125 Ca 0.73 -1.23 -0.24 0.00 -1.81 0.00 0.00 61.98 59.43 3gka s VAL 125 Cb -0.28 -3.40 0.05 0.00 0.56 0.00 0.00 36.38 33.31 3gka s VAL 125 CO 0.46 -0.25 0.83 0.00 -0.31 0.00 0.00 175.10 175.83 3gka s ALA 126 N -1.97 -1.52 0.18 1.32 0.00 -0.55 -1.60 121.76 117.63 3gka s ALA 126 Ca 0.32 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 3gka s ALA 126 Cb -0.09 0.72 0.09 0.00 0.00 0.00 0.00 23.12 23.84 3gka s ALA 126 CO 0.25 -0.97 1.79 -1.00 0.00 0.00 0.00 175.76 175.82 3gka h PRO 127 N 2.00 0.88 -4.31 0.00 0.13 -1.86 0.23 132.00 129.07 3gka h PRO 127 Ca -0.23 -0.11 -0.18 0.00 -0.87 0.00 0.00 66.00 64.60 3gka h PRO 127 Cb 1.25 -0.17 -0.18 0.00 0.13 0.00 0.00 31.00 32.03 3gka h PRO 127 CO 0.27 0.68 -0.70 -1.12 -0.23 0.00 0.00 178.00 176.89 3gka s SER 128 N -5.96 0.62 -1.21 1.44 0.01 -1.25 -4.29 113.70 103.06 3gka s SER 128 Ca -0.13 -0.77 -0.16 0.00 1.31 0.00 0.00 55.95 56.20 3gka s SER 128 Cb 0.13 0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.44 3gka s SER 128 CO 0.78 -0.41 2.19 0.00 0.41 0.00 0.00 173.24 176.21 3gka n ALA 129 N 0.77 4.93 -3.76 1.44 0.00 -1.26 -4.67 120.51 117.97 3gka n ALA 129 Ca -0.18 -3.52 -0.23 0.00 0.00 0.00 0.00 53.44 49.51 3gka n ALA 129 Cb 0.58 -3.52 -0.18 0.00 0.00 0.00 0.00 19.45 16.34 3gka n ALA 129 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gka s ILE 130 N 3.72 0.36 0.33 0.00 1.01 -1.26 -4.77 121.20 120.60 3gka s ILE 130 Ca 0.52 0.12 -0.22 0.00 0.00 0.00 0.00 60.65 61.08 3gka s ILE 130 Cb 0.14 -0.52 -0.10 0.00 0.01 0.00 0.00 42.46 42.00 3gka s ILE 130 CO -0.01 0.26 0.87 0.00 0.00 0.00 0.00 174.94 176.06 3gka s ALA 131 N 1.93 3.22 0.65 9.38 0.00 -1.26 -4.64 121.76 131.03 3gka s ALA 131 Ca 0.04 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 3gka s ALA 131 Cb -0.12 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3gka s ALA 131 CO -0.05 0.21 1.04 -1.25 0.00 0.00 0.00 175.76 175.72 3gka s PRO 132 N -2.50 3.35 0.93 0.00 0.04 -1.26 -5.06 135.00 130.50 3gka s PRO 132 Ca 0.53 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 3gka s PRO 132 Cb -0.14 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.52 3gka s PRO 132 CO 0.19 -0.77 1.23 0.20 0.04 0.00 0.00 177.00 177.90 3gka s GLY 133 N -4.01 1.68 0.00 0.56 0.00 -1.26 -4.49 107.32 99.80 3gka s GLY 133 Ca 0.56 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3gka s GLY 133 CO 0.54 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 174.00 3gka n GLY 134 N -3.14 -0.87 3.40 0.20 0.00 -1.26 -4.85 105.19 98.66 3gka n GLY 134 Ca 0.12 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 3gka n GLY 134 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gka s HIS 135 N 0.00 2.29 0.14 1.61 0.09 -1.26 -3.84 115.29 114.32 3gka s HIS 135 Ca 0.00 -0.37 -0.31 0.00 -0.00 0.00 0.00 55.06 54.37 3gka s HIS 135 Cb 0.00 -1.19 -0.10 0.00 -0.00 0.00 0.00 32.58 31.28 3gka s HIS 135 CO 0.00 0.40 1.72 0.08 -0.00 0.00 0.00 174.74 176.95 3gka s VAL 136 N -1.32 2.52 0.35 -0.90 1.01 -0.14 -4.91 120.40 117.01 3gka s VAL 136 Ca 0.17 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 3gka s VAL 136 Cb -0.09 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 3gka s VAL 136 CO 0.07 0.01 1.48 -0.44 0.00 0.00 0.00 175.10 176.22 3gka s SER 137 N 2.01 6.43 0.00 3.32 0.01 -1.26 -4.00 113.70 120.21 3gka s SER 137 Ca 0.76 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.98 3gka s SER 137 Cb -0.45 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.12 3gka s SER 137 CO 0.34 -0.82 0.00 0.18 0.41 0.00 0.00 173.24 173.34 3gka n LEU 138 N 0.97 0.00 -4.69 2.44 4.77 -1.26 -4.94 117.00 114.29 3gka n LEU 138 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 3gka n LEU 138 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3gka n LEU 138 CO 0.63 0.00 1.35 0.68 -1.33 0.00 0.00 177.39 178.72 3gka s VAL 139 N 0.00 3.02 -0.14 4.08 -7.23 -1.26 -5.01 120.40 113.87 3gka s VAL 139 Ca 0.00 0.45 -0.02 0.00 -1.81 0.00 0.00 61.98 60.59 3gka s VAL 139 Cb 0.00 -3.29 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 3gka s VAL 139 CO 0.00 -0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 174.72 3gka s ARG 140 N 2.78 3.51 0.44 4.82 1.70 -1.26 -3.79 118.95 127.15 3gka s ARG 140 Ca 0.75 -0.56 -0.16 0.00 -0.47 0.00 0.00 55.73 55.28 3gka s ARG 140 Cb -0.40 -2.81 -0.09 0.00 -0.57 0.00 0.00 34.95 31.08 3gka s ARG 140 CO 0.33 0.28 0.90 -1.25 -1.08 0.00 0.00 175.30 174.48 3gka s PRO 141 N 0.24 4.01 0.31 3.89 0.04 -1.26 -5.12 135.00 137.10 3gka s PRO 141 Ca -0.04 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.57 3gka s PRO 141 Cb -0.14 -2.24 -0.11 0.00 0.04 0.00 0.00 34.50 32.04 3gka s PRO 141 CO 0.03 -0.10 1.58 1.04 0.04 0.00 0.00 177.00 179.60 3gka n GLN 142 N -1.08 2.72 -3.83 4.56 6.02 -1.25 -5.01 117.38 119.51 3gka n GLN 142 Ca 0.05 0.96 -0.11 0.00 -0.01 0.00 0.00 57.00 57.90 3gka n GLN 142 Cb 0.54 -2.74 -0.09 0.00 1.02 0.00 0.00 30.24 28.97 3gka n GLN 142 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3gka s ARG 143 N -0.85 0.63 0.77 -1.09 1.70 -1.26 -5.03 118.95 113.81 3gka s ARG 143 Ca 0.62 -0.46 -0.11 0.00 -0.47 0.00 0.00 55.73 55.31 3gka s ARG 143 Cb -0.49 0.26 0.05 0.00 -0.57 0.00 0.00 34.95 34.21 3gka s ARG 143 CO 0.52 -0.17 1.08 -1.25 -1.08 0.00 0.00 175.30 174.40 3gka s PRO 144 N -1.93 2.33 0.16 3.89 0.04 -1.26 -0.96 135.00 137.26 3gka s PRO 144 Ca -0.10 1.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.71 3gka s PRO 144 Cb -0.04 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 3gka s PRO 144 CO -0.00 -1.57 1.33 0.71 0.04 0.00 0.00 177.00 177.51 3gka s TYR 145 N -2.95 3.27 0.70 0.56 2.02 -1.25 -4.71 117.35 115.00 3gka s TYR 145 Ca 0.61 1.13 -0.13 0.00 -0.37 0.00 0.00 57.07 58.31 3gka s TYR 145 Cb -0.16 -3.61 0.02 0.00 -0.40 0.00 0.00 41.96 37.81 3gka s TYR 145 CO 0.56 -2.00 1.11 0.14 -1.57 0.00 0.00 175.55 173.79 3gka s VAL 146 N 0.54 3.21 0.08 0.71 -7.23 -1.26 -4.85 120.40 111.60 3gka s VAL 146 Ca 0.60 0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 60.96 3gka s VAL 146 Cb -0.36 -3.01 -0.08 0.00 0.56 0.00 0.00 36.38 33.49 3gka s VAL 146 CO 0.35 -0.41 1.59 -0.89 -0.31 0.00 0.00 175.10 175.43 3gka s THR 147 N -2.51 3.06 0.90 5.32 2.01 -1.26 -4.69 115.64 118.47 3gka s THR 147 Ca 0.65 0.58 -0.12 0.00 0.31 0.00 0.00 61.69 63.11 3gka s THR 147 Cb -0.20 -3.38 0.13 0.00 0.01 0.00 0.00 72.50 69.07 3gka s THR 147 CO 0.47 0.01 1.14 -2.16 -0.69 0.00 0.00 174.62 173.39 3gka s PRO 148 N 2.24 1.21 -0.12 4.92 0.04 -1.26 -4.84 135.00 137.19 3gka s PRO 148 Ca 0.71 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 3gka s PRO 148 Cb -0.39 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3gka s PRO 148 CO 0.31 -2.15 0.48 0.50 0.04 0.00 0.00 177.00 176.18 3gka s ARG 149 N -5.31 4.33 -0.05 4.56 3.52 0.53 -4.51 118.95 122.04 3gka s ARG 149 Ca 0.64 0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 56.38 3gka s ARG 149 Cb -0.14 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3gka s ARG 149 CO 0.53 0.15 1.21 0.00 -0.81 0.00 0.00 175.30 176.38 3gka s ALA 150 N 0.66 3.49 0.26 6.12 0.00 -1.26 -1.49 121.76 129.55 3gka s ALA 150 Ca 0.26 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.56 3gka s ALA 150 Cb -0.15 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 3gka s ALA 150 CO 0.10 -0.75 1.59 1.28 0.00 0.00 0.00 175.76 177.98 3gka n LEU 151 N 5.15 4.01 -4.79 0.00 4.77 0.07 -4.89 117.00 121.31 3gka n LEU 151 Ca 0.11 1.13 -0.33 0.00 -0.03 0.00 0.00 56.01 56.88 3gka n LEU 151 Cb 0.46 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.02 3gka n LEU 151 CO 0.55 0.02 0.73 -1.61 -1.33 0.00 0.00 177.39 175.76 3gka s GLU 152 N -0.09 3.20 0.24 3.23 0.41 -1.26 -4.95 118.70 119.48 3gka s GLU 152 Ca 0.68 1.30 -0.06 0.00 -0.41 0.00 0.00 54.97 56.48 3gka s GLU 152 Cb -0.53 -2.01 0.42 0.00 -1.78 0.00 0.00 34.13 30.22 3gka s GLU 152 CO 0.45 -0.92 1.70 1.25 -0.49 0.00 0.00 175.26 177.25 3gka h LEU 153 N 0.46 0.05 0.00 1.80 5.85 -2.00 -1.39 115.31 120.07 3gka h LEU 153 Ca -0.47 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3gka h LEU 153 Cb 1.23 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3gka h LEU 153 CO 0.56 -0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.76 3gka n ASP 154 N -5.13 0.00 0.10 1.25 5.75 -1.26 -2.41 116.55 114.85 3gka n ASP 154 Ca 0.13 -1.13 0.12 0.00 -0.01 0.00 0.00 54.79 53.89 3gka n ASP 154 Cb 0.42 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.61 3gka n ASP 154 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3gka h GLU 155 N 0.00 0.00 -0.25 0.11 5.08 -1.62 -3.41 114.58 114.49 3gka h GLU 155 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3gka h GLU 155 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3gka h GLU 155 CO 0.00 0.00 -0.33 0.82 -1.00 0.00 0.00 179.01 178.50 3gka h ILE 156 N 0.00 1.28 -0.34 3.13 2.04 -1.54 -2.25 117.51 119.83 3gka h ILE 156 Ca 0.00 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 3gka h ILE 156 Cb 0.88 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3gka h ILE 156 CO 0.00 0.45 0.21 -0.65 0.00 0.00 0.00 178.15 178.16 3gka h PRO 157 N 0.46 0.45 -0.65 2.37 0.11 -1.79 -2.22 132.00 130.73 3gka h PRO 157 Ca 0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 3gka h PRO 157 Cb 0.79 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 3gka h PRO 157 CO 0.06 0.31 0.28 0.78 -0.21 0.00 0.00 178.00 179.22 3gka h GLY 158 N 0.49 1.00 0.87 -0.55 0.00 -1.68 0.11 103.07 103.32 3gka h GLY 158 Ca 0.12 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3gka h GLY 158 CO -0.02 0.48 0.02 -2.08 0.00 0.00 0.00 176.54 174.93 3gka h VAL 159 N 0.92 1.12 -0.88 4.60 2.07 -1.27 -0.31 116.25 122.50 3gka h VAL 159 Ca 0.22 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3gka h VAL 159 Cb 0.15 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3gka h VAL 159 CO -0.02 0.10 0.58 0.58 0.02 0.00 0.00 177.57 178.82 3gka h VAL 160 N -0.07 1.23 -0.32 2.57 2.07 -1.19 -0.87 116.25 119.67 3gka h VAL 160 Ca 0.01 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3gka h VAL 160 Cb 0.14 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 3gka h VAL 160 CO -0.00 0.23 -0.02 0.00 0.02 0.00 0.00 177.57 177.79 3gka h ALA 161 N 1.32 1.37 -0.44 1.67 0.00 -0.61 0.21 119.26 122.78 3gka h ALA 161 Ca 0.32 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3gka h ALA 161 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3gka h ALA 161 CO -0.07 0.43 0.03 0.00 0.00 0.00 0.00 179.25 179.65 3gka h ALA 162 N 1.51 0.59 -0.71 0.00 0.00 -0.07 -1.15 119.26 119.43 3gka h ALA 162 Ca 0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3gka h ALA 162 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gka h ALA 162 CO 0.01 0.35 0.25 0.74 0.00 0.00 0.00 179.25 180.60 3gka h PHE 163 N 0.60 1.11 -0.38 0.00 0.04 -0.70 -0.86 116.94 116.75 3gka h PHE 163 Ca 0.13 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3gka h PHE 163 Cb 0.44 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3gka h PHE 163 CO 0.03 0.87 0.21 -0.09 -0.60 0.00 0.00 178.31 178.73 3gka h ARG 164 N 1.02 0.53 -0.46 1.51 2.43 -0.44 0.01 114.38 118.99 3gka h ARG 164 Ca 0.23 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 3gka h ARG 164 Cb 0.25 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3gka h ARG 164 CO -0.01 0.43 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.68 3gka h ARG 165 N 0.49 0.84 -0.75 0.20 9.65 -1.13 0.20 114.38 123.88 3gka h ARG 165 Ca 0.14 -0.28 0.13 0.00 -1.10 0.00 0.00 59.98 58.86 3gka h ARG 165 Cb 0.05 -0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.47 3gka h ARG 165 CO -0.02 0.90 0.34 0.78 2.80 0.00 0.00 179.97 184.77 3gka h GLY 166 N 0.97 1.15 1.60 2.80 0.00 -0.82 0.99 103.07 109.76 3gka h GLY 166 Ca 0.13 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 3gka h GLY 166 CO 0.04 -0.04 -0.65 0.00 0.00 0.00 0.00 176.54 175.89 3gka h ALA 167 N 1.51 0.69 -0.28 3.60 0.00 -0.11 -1.53 119.26 123.13 3gka h ALA 167 Ca 0.40 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3gka h ALA 167 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3gka h ALA 167 CO -0.35 0.73 0.13 0.93 0.00 0.00 0.00 179.25 180.69 3gka h GLU 168 N 0.29 0.41 -0.26 0.00 5.08 -0.64 -2.63 114.58 116.83 3gka h GLU 168 Ca -0.01 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3gka h GLU 168 Cb 1.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3gka h GLU 168 CO 0.11 0.40 -0.29 -0.91 -1.00 0.00 0.00 179.01 177.33 3gka h ASN 169 N 0.32 0.53 -0.86 1.42 2.35 -0.71 -0.72 115.58 117.91 3gka h ASN 169 Ca 0.10 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3gka h ASN 169 Cb 0.14 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3gka h ASN 169 CO -0.01 0.80 0.44 0.00 -1.65 0.00 0.00 177.43 177.00 3gka h ALA 170 N 1.24 1.10 -0.22 -0.83 0.00 -1.26 0.81 119.26 120.10 3gka h ALA 170 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3gka h ALA 170 Cb 0.74 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3gka h ALA 170 CO 0.06 0.64 -0.06 -0.09 0.00 0.00 0.00 179.25 179.80 3gka h ARG 171 N 1.21 0.43 0.00 0.00 2.43 -1.06 -2.47 114.38 114.92 3gka h ARG 171 Ca 0.30 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3gka h ARG 171 Cb 0.08 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3gka h ARG 171 CO -0.04 0.68 -0.03 0.00 -1.51 0.00 0.00 179.97 179.06 3gka h ALA 172 N 0.74 1.84 -0.00 2.80 0.00 -0.91 -1.82 119.26 121.92 3gka h ALA 172 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gka h ALA 172 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gka h ALA 172 CO 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 3gka n ALA 173 N -2.48 2.57 -0.84 0.00 0.00 0.26 -4.93 120.51 115.08 3gka n ALA 173 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3gka n ALA 173 Cb 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3gka n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gka n GLY 174 N 1.30 0.77 3.78 0.00 0.00 -0.68 -3.84 105.19 106.51 3gka n GLY 174 Ca 0.14 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 3gka n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gka s PHE 175 N -2.00 2.67 -0.58 1.61 0.08 -0.96 -4.88 117.98 113.92 3gka s PHE 175 Ca 0.00 1.53 0.25 0.00 0.12 0.00 0.00 56.93 58.83 3gka s PHE 175 Cb 0.00 -3.04 0.55 0.00 -0.57 0.00 0.00 43.02 39.96 3gka s PHE 175 CO 0.00 -1.68 1.66 -0.44 -0.10 0.00 0.00 175.22 174.66 3gka h ASP 176 N -0.82 0.00 0.00 1.36 3.32 -1.47 -3.46 116.42 115.35 3gka h ASP 176 Ca -0.44 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3gka h ASP 176 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3gka h ASP 176 CO 0.53 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 3gka n GLY 177 N 1.21 -1.35 3.09 2.75 0.00 -1.24 -4.87 105.19 104.78 3gka n GLY 177 Ca 0.05 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 3gka n GLY 177 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gka s VAL 178 N -2.84 0.82 -0.16 1.61 -7.23 -0.93 -1.55 120.40 110.11 3gka s VAL 178 Ca 0.00 -0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 3gka s VAL 178 Cb 0.00 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 36.15 3gka s VAL 178 CO 0.00 -0.09 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.93 3gka s GLU 179 N -1.09 3.51 -0.03 4.82 2.12 -0.07 -1.15 118.70 126.81 3gka s GLU 179 Ca -0.02 -0.60 -0.27 0.00 0.36 0.00 0.00 54.97 54.44 3gka s GLU 179 Cb -0.07 -2.83 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 3gka s GLU 179 CO 0.01 0.15 0.87 0.08 -0.54 0.00 0.00 175.26 175.83 3gka s VAL 180 N 0.58 4.93 -0.98 3.70 1.01 0.24 -0.82 120.40 129.06 3gka s VAL 180 Ca -0.05 1.82 -0.20 0.00 0.00 0.00 0.00 61.98 63.55 3gka s VAL 180 Cb -0.15 -4.21 0.10 0.00 0.00 0.00 0.00 36.38 32.12 3gka s VAL 180 CO 0.03 0.18 1.26 -2.28 0.00 0.00 0.00 175.10 174.29 3gka s HIS 181 N 1.02 2.93 -0.31 5.22 2.46 -0.76 -0.89 115.29 124.95 3gka s HIS 181 Ca 0.46 -1.25 0.10 0.00 0.47 0.00 0.00 55.06 54.85 3gka s HIS 181 Cb -0.20 -4.43 0.76 0.00 -0.13 0.00 0.00 32.58 28.58 3gka s HIS 181 CO 0.23 -1.64 1.81 0.41 -2.47 0.00 0.00 174.74 173.08 3gka n GLY 182 N 5.90 3.57 3.63 1.59 0.00 -0.46 -4.56 105.19 114.85 3gka n GLY 182 Ca 0.28 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 3gka n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gka n ALA 183 N -0.04 0.52 -2.41 4.61 0.00 -1.14 -4.02 120.51 118.04 3gka n ALA 183 Ca 0.39 -2.26 -0.18 0.00 0.00 0.00 0.00 53.44 51.39 3gka n ALA 183 Cb 1.37 1.38 -0.01 0.00 0.00 0.00 0.00 19.45 22.18 3gka n ALA 183 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gka n ASN 184 N -1.41 -5.31 -0.82 0.00 3.02 -1.26 -2.21 115.26 107.27 3gka n ASN 184 Ca -0.14 0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 3gka n ASN 184 Cb 0.65 -4.44 -0.04 0.00 -0.61 0.00 0.00 39.78 35.34 3gka n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gka n GLY 185 N -0.95 1.01 0.60 7.41 0.00 -1.25 -4.58 105.19 107.42 3gka n GLY 185 Ca -0.22 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 3gka n GLY 185 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gka n TYR 186 N -2.87 -3.49 -0.05 1.61 4.02 -0.94 -4.59 117.16 110.85 3gka n TYR 186 Ca -0.10 -0.25 -0.08 0.00 -0.01 0.00 0.00 57.90 57.46 3gka n TYR 186 Cb 0.36 -0.12 -0.01 0.00 -0.02 0.00 0.00 39.34 39.55 3gka n TYR 186 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3gka h LEU 187 N 0.00 -0.55 -0.96 7.72 5.85 -1.15 0.14 115.31 126.36 3gka h LEU 187 Ca -0.06 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3gka h LEU 187 Cb 0.19 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3gka h LEU 187 CO 0.05 -0.21 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.36 3gka h LEU 188 N -0.16 0.00 -0.61 2.25 3.38 -1.80 -1.82 115.31 116.55 3gka h LEU 188 Ca 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 3gka h LEU 188 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3gka h LEU 188 CO -0.34 0.51 -0.66 -0.78 0.09 0.00 0.00 178.44 177.26 3gka h ASP 189 N 0.00 0.00 -0.29 -0.43 3.58 -1.44 -1.81 116.42 116.03 3gka h ASP 189 Ca -0.01 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 3gka h ASP 189 Cb 0.92 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 3gka h ASP 189 CO 0.07 0.66 -0.06 1.56 -2.88 0.00 0.00 179.24 178.59 3gka h GLN 190 N 0.00 0.55 -0.53 0.28 4.20 0.02 -2.09 115.11 117.54 3gka h GLN 190 Ca -0.01 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3gka h GLN 190 Cb 1.22 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 3gka h GLN 190 CO 0.09 0.75 0.27 0.74 -0.67 0.00 0.00 178.83 180.00 3gka h PHE 191 N 0.31 0.71 -0.33 2.96 -1.00 -1.34 -3.09 116.94 115.17 3gka h PHE 191 Ca 0.07 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.71 3gka h PHE 191 Cb 0.54 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 3gka h PHE 191 CO 0.05 0.51 -0.30 1.25 -1.61 0.00 0.00 178.31 178.22 3gka h LEU 192 N 0.73 0.83 -9.63 1.54 5.85 -0.88 -3.42 115.31 110.33 3gka h LEU 192 Ca 0.19 -0.46 -0.66 0.00 0.84 0.00 0.00 57.88 57.78 3gka h LEU 192 Cb 0.05 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 3gka h LEU 192 CO -0.03 1.12 -0.50 -1.10 -0.34 0.00 0.00 178.44 177.58 3gka s GLN 193 N -4.41 3.37 0.00 1.25 -0.21 -0.83 -4.66 119.66 114.17 3gka s GLN 193 Ca -0.12 -0.22 0.30 0.00 0.02 0.00 0.00 55.36 55.34 3gka s GLN 193 Cb 0.09 -3.11 1.49 0.00 1.00 0.00 0.00 33.01 32.49 3gka s GLN 193 CO 0.84 0.74 2.01 -0.40 -2.12 0.00 0.00 175.29 176.37 3gka n ASP 194 N 1.74 0.25 0.11 5.90 5.75 -1.25 -1.85 116.55 127.21 3gka n ASP 194 Ca -0.18 -0.59 -0.04 0.00 -0.01 0.00 0.00 54.79 53.97 3gka n ASP 194 Cb 0.54 -0.12 0.12 0.00 -1.03 0.00 0.00 41.12 40.63 3gka n ASP 194 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3gka h SER 195 N 0.33 0.11 0.00 -1.12 4.64 -1.86 -3.37 113.55 112.28 3gka h SER 195 Ca 0.00 -0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 61.05 3gka h SER 195 Cb 0.25 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3gka h SER 195 CO 0.00 0.74 -1.92 0.00 -0.87 0.00 0.00 176.83 174.78 3gka n ALA 196 N -2.44 1.89 -2.97 5.18 0.00 -1.08 -4.87 120.51 116.23 3gka n ALA 196 Ca -0.02 -0.81 -0.41 0.00 0.00 0.00 0.00 53.44 52.20 3gka n ALA 196 Cb 0.66 -0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 3gka n ALA 196 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gka s ASN 197 N -4.53 5.80 -0.16 0.00 3.84 -0.77 -3.92 114.94 115.20 3gka s ASN 197 Ca -0.07 -1.23 0.17 0.00 0.21 0.00 0.00 52.86 51.95 3gka s ASN 197 Cb 0.06 -2.05 0.41 0.00 -0.55 0.00 0.00 41.25 39.12 3gka s ASN 197 CO 0.61 -0.49 1.29 0.54 -2.79 0.00 0.00 177.10 176.26 3gka n ARG 198 N 5.02 2.03 -1.70 0.43 5.12 -1.26 -4.53 116.66 121.77 3gka n ARG 198 Ca -0.11 -2.76 -0.35 0.00 -1.93 0.00 0.00 57.85 52.70 3gka n ARG 198 Cb 0.45 -1.67 0.06 0.00 -1.16 0.00 0.00 32.46 30.14 3gka n ARG 198 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3gka s ARG 199 N -2.89 2.55 -0.04 5.56 0.52 -1.26 -4.90 118.95 118.49 3gka s ARG 199 Ca 0.37 1.72 0.06 0.00 -0.52 0.00 0.00 55.73 57.37 3gka s ARG 199 Cb 0.32 -1.89 0.09 0.00 0.52 0.00 0.00 34.95 33.99 3gka s ARG 199 CO 0.05 -1.51 1.03 0.25 0.02 0.00 0.00 175.30 175.14 3gka n THR 200 N -2.26 1.22 -2.69 0.02 -2.24 -1.26 -2.47 114.28 104.61 3gka n THR 200 Ca 0.13 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 3gka n THR 200 Cb 0.50 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3gka n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gka n ASP 201 N -0.76 0.15 0.00 3.42 5.68 -1.26 -4.95 116.55 118.83 3gka n ASP 201 Ca 0.05 -0.62 0.04 0.00 -0.50 0.00 0.00 54.79 53.77 3gka n ASP 201 Cb 0.38 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.57 3gka n ASP 201 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gka n ALA 202 N -3.00 1.46 -0.55 2.12 0.00 -1.26 -1.72 120.51 117.55 3gka n ALA 202 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.50 3gka n ALA 202 Cb 0.00 -1.15 0.32 0.00 0.00 0.00 0.00 19.45 18.62 3gka n ALA 202 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gka n TYR 203 N -1.46 1.23 -4.12 0.00 4.01 -1.26 -4.49 117.16 111.07 3gka n TYR 203 Ca 0.03 -0.60 -0.12 0.00 -0.16 0.00 0.00 57.90 57.05 3gka n TYR 203 Cb 0.10 -0.18 -0.07 0.00 -0.31 0.00 0.00 39.34 38.88 3gka n TYR 203 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3gka s GLY 204 N -1.02 1.20 0.00 2.72 0.00 -0.70 -4.17 107.32 105.35 3gka s GLY 204 Ca 0.47 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3gka s GLY 204 CO 0.24 -1.06 0.00 0.61 0.00 0.00 0.00 173.10 172.89 3gka n GLY 205 N -0.39 1.35 3.74 0.20 0.00 -1.03 -4.60 105.19 104.46 3gka n GLY 205 Ca 0.01 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 3gka n GLY 205 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gka s SER 206 N -4.00 4.13 0.23 1.61 1.04 -1.26 -4.81 113.70 110.64 3gka s SER 206 Ca 0.00 2.02 -0.07 0.00 0.48 0.00 0.00 55.95 58.38 3gka s SER 206 Cb 0.00 -2.55 0.33 0.00 0.10 0.00 0.00 66.02 63.91 3gka s SER 206 CO 0.00 -2.29 1.79 0.40 0.98 0.00 0.00 173.24 174.12 3gka h ILE 207 N -1.04 0.89 -0.69 -1.02 2.04 -1.96 -0.29 117.51 115.44 3gka h ILE 207 Ca -0.44 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.21 3gka h ILE 207 Cb 1.25 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3gka h ILE 207 CO 0.49 0.12 0.44 -0.08 0.00 0.00 0.00 178.15 179.12 3gka h GLU 208 N 0.67 0.85 -0.24 2.37 4.81 -1.97 -0.41 114.58 120.66 3gka h GLU 208 Ca 0.35 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 3gka h GLU 208 Cb 0.33 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3gka h GLU 208 CO -0.25 0.56 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.28 3gka h ASN 209 N 0.88 0.60 0.21 1.04 2.35 -1.62 -2.55 115.58 116.49 3gka h ASN 209 Ca 0.27 -0.27 -0.19 0.00 -0.55 0.00 0.00 56.30 55.55 3gka h ASN 209 Cb -0.03 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 3gka h ASN 209 CO -0.09 0.94 -0.75 0.03 -1.65 0.00 0.00 177.43 175.91 3gka h ARG 210 N 0.47 0.46 0.00 0.81 3.08 -0.68 -2.85 114.38 115.67 3gka h ARG 210 Ca 0.04 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3gka h ARG 210 Cb 0.91 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3gka h ARG 210 CO 0.08 1.02 0.00 0.00 -1.07 0.00 0.00 179.97 180.00 3gka n ALA 211 N -2.53 2.26 -0.04 0.04 0.00 -0.20 -3.46 120.51 116.59 3gka n ALA 211 Ca -0.05 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 3gka n ALA 211 Cb 0.72 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 3gka n ALA 211 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3gka h ARG 212 N 0.00 0.10 -0.24 0.00 2.43 -1.20 -2.10 114.38 113.38 3gka h ARG 212 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3gka h ARG 212 Cb 0.36 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3gka h ARG 212 CO 0.00 0.07 0.11 1.25 -1.51 0.00 0.00 179.97 179.89 3gka h LEU 213 N 0.11 0.32 -0.55 3.80 5.85 -1.78 0.05 115.31 123.11 3gka h LEU 213 Ca 0.09 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.76 3gka h LEU 213 Cb 0.09 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 3gka h LEU 213 CO -0.13 0.36 0.18 0.25 -0.34 0.00 0.00 178.44 178.76 3gka h LEU 214 N 0.25 0.15 -0.74 2.25 5.85 -1.80 0.13 115.31 121.39 3gka h LEU 214 Ca 0.08 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 3gka h LEU 214 Cb 0.14 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3gka h LEU 214 CO -0.01 0.10 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.67 3gka h LEU 215 N 0.34 0.44 -0.85 2.25 3.38 -1.01 0.80 115.31 120.66 3gka h LEU 215 Ca 0.27 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3gka h LEU 215 Cb 0.33 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3gka h LEU 215 CO -0.30 0.83 -0.03 -0.33 0.09 0.00 0.00 178.44 178.70 3gka h GLU 216 N 0.33 0.82 -0.26 1.13 5.08 -0.46 -0.18 114.58 121.05 3gka h GLU 216 Ca 0.02 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 3gka h GLU 216 Cb 0.93 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3gka h GLU 216 CO 0.08 0.85 -0.19 0.28 -1.00 0.00 0.00 179.01 179.03 3gka h VAL 217 N 0.76 1.31 -0.69 3.13 2.07 -0.60 -1.38 116.25 120.86 3gka h VAL 217 Ca 0.14 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.38 3gka h VAL 217 Cb 0.50 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3gka h VAL 217 CO 0.03 0.41 0.42 0.58 0.02 0.00 0.00 177.57 179.03 3gka h VAL 218 N 0.30 1.06 -0.24 2.57 2.07 -0.74 -1.58 116.25 119.68 3gka h VAL 218 Ca 0.05 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 3gka h VAL 218 Cb 0.72 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3gka h VAL 218 CO 0.05 0.15 -0.25 0.44 0.02 0.00 0.00 177.57 177.98 3gka h ASP 219 N 0.80 0.46 -0.59 0.57 3.32 -0.93 0.18 116.42 120.23 3gka h ASP 219 Ca 0.28 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3gka h ASP 219 Cb 0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3gka h ASP 219 CO -0.13 0.71 0.08 0.00 -1.72 0.00 0.00 179.24 178.17 3gka h ALA 220 N 1.33 0.97 -0.28 3.45 0.00 -0.96 -0.93 119.26 122.84 3gka h ALA 220 Ca 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3gka h ALA 220 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3gka h ALA 220 CO 0.05 0.64 0.02 0.00 0.00 0.00 0.00 179.25 179.96 3gka h ALA 221 N 1.12 0.38 -0.92 0.00 0.00 -0.85 -2.80 119.26 116.19 3gka h ALA 221 Ca 0.19 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3gka h ALA 221 Cb 0.45 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3gka h ALA 221 CO 0.02 0.09 0.60 0.82 0.00 0.00 0.00 179.25 180.78 3gka h ILE 222 N 0.29 1.08 -0.63 0.00 2.04 -0.87 0.16 117.51 119.58 3gka h ILE 222 Ca 0.08 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3gka h ILE 222 Cb 0.38 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 3gka h ILE 222 CO 0.01 0.19 0.41 0.44 0.00 0.00 0.00 178.15 179.21 3gka h ASP 223 N 1.06 0.73 0.10 1.72 3.32 -0.96 0.38 116.42 122.78 3gka h ASP 223 Ca 0.39 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.28 3gka h ASP 223 Cb 0.17 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.56 3gka h ASP 223 CO -0.15 0.53 -0.64 0.58 -1.72 0.00 0.00 179.24 177.84 3gka h VAL 224 N 0.85 1.55 0.00 -1.35 2.07 -1.06 -3.41 116.25 114.91 3gka h VAL 224 Ca 0.23 -2.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 3gka h VAL 224 Cb -0.09 3.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3gka h VAL 224 CO -0.05 0.68 -1.77 0.79 0.02 0.00 0.00 177.57 177.24 3gka n TRP 225 N -4.25 0.00 -0.55 1.57 7.02 0.49 -5.04 117.44 116.68 3gka n TRP 225 Ca -0.14 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.38 3gka n TRP 225 Cb 0.73 -0.39 -0.02 0.00 -2.42 0.00 0.00 31.31 29.21 3gka n TRP 225 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3gka n SER 226 N -2.10 -2.98 0.03 -0.99 3.41 0.13 -4.42 113.62 106.71 3gka n SER 226 Ca -0.04 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.21 3gka n SER 226 Cb 0.45 -1.61 0.41 0.00 -0.26 0.00 0.00 64.21 63.21 3gka n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gka h ALA 227 N -0.30 1.65 -0.13 7.33 0.00 -1.87 -2.59 119.26 123.34 3gka h ALA 227 Ca -0.05 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gka h ALA 227 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gka h ALA 227 CO 0.02 0.29 0.21 0.00 0.00 0.00 0.00 179.25 179.77 3gka h ALA 228 N 1.71 1.61 -0.14 0.00 0.00 -1.85 -1.32 119.26 119.27 3gka h ALA 228 Ca 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3gka h ALA 228 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3gka h ALA 228 CO -0.02 -0.28 -0.11 0.54 0.00 0.00 0.00 179.25 179.38 3gka n ARG 229 N -3.51 1.88 -4.69 0.00 5.12 -0.98 -3.94 116.66 110.54 3gka n ARG 229 Ca 0.01 -2.91 -0.29 0.00 -1.93 0.00 0.00 57.85 52.72 3gka n ARG 229 Cb 0.31 -1.68 -0.17 0.00 -1.16 0.00 0.00 32.46 29.77 3gka n ARG 229 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3gka s VAL 230 N -3.01 1.64 0.35 1.55 1.01 -0.81 -2.19 120.40 118.94 3gka s VAL 230 Ca 0.38 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3gka s VAL 230 Cb 0.34 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3gka s VAL 230 CO 0.02 0.47 0.08 -0.83 0.00 0.00 0.00 175.10 174.83 3gka s GLY 231 N 0.75 2.08 0.01 4.51 0.00 -0.30 -0.34 107.32 114.03 3gka s GLY 231 Ca -0.11 -1.95 0.02 0.00 0.00 0.00 0.00 44.72 42.68 3gka s GLY 231 CO 0.02 -1.86 -0.06 0.14 0.00 0.00 0.00 173.10 171.34 3gka s VAL 232 N -2.51 0.46 -0.17 1.40 1.01 -1.04 -0.59 120.40 118.96 3gka s VAL 232 Ca 0.37 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3gka s VAL 232 Cb 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3gka s VAL 232 CO 0.21 0.01 -0.05 -2.28 0.00 0.00 0.00 175.10 172.99 3gka s HIS 233 N -0.41 2.97 0.12 5.22 2.46 -0.07 -0.88 115.29 124.70 3gka s HIS 233 Ca -0.01 -0.49 0.04 0.00 0.47 0.00 0.00 55.06 55.07 3gka s HIS 233 Cb -0.04 -1.98 -0.04 0.00 -0.13 0.00 0.00 32.58 30.39 3gka s HIS 233 CO -0.00 -0.19 -0.10 -0.51 -2.47 0.00 0.00 174.74 171.47 3gka s LEU 234 N 0.66 2.48 -0.38 8.88 1.43 0.28 -1.35 118.68 130.67 3gka s LEU 234 Ca -0.03 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.15 3gka s LEU 234 Cb -0.15 -0.29 0.15 0.00 0.03 0.00 0.00 46.19 45.93 3gka s LEU 234 CO 0.02 -0.32 0.26 0.00 0.23 0.00 0.00 176.35 176.54 3gka s ALA 235 N -3.02 1.20 0.47 4.21 0.00 -1.26 -0.80 121.76 122.56 3gka s ALA 235 Ca 0.12 -2.13 0.23 0.00 0.00 0.00 0.00 51.96 50.17 3gka s ALA 235 Cb 0.01 -1.62 1.37 0.00 0.00 0.00 0.00 23.12 22.88 3gka s ALA 235 CO -0.00 -2.06 2.09 -1.35 0.00 0.00 0.00 175.76 174.44 3gka h PRO 236 N 6.50 0.00 0.00 0.00 0.11 -1.98 -2.83 132.00 133.80 3gka h PRO 236 Ca 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3gka h PRO 236 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3gka h PRO 236 CO 0.32 0.10 -0.10 0.00 -0.21 0.00 0.00 178.00 178.11 3gka h ARG 237 N 0.00 0.00 -5.82 1.05 3.08 -1.97 -3.47 114.38 107.25 3gka h ARG 237 Ca -0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3gka h ARG 237 Cb 0.23 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.42 3gka h ARG 237 CO 0.01 0.10 -0.71 0.41 -1.07 0.00 0.00 179.97 178.72 3gka n GLY 238 N -0.27 -0.49 1.17 0.04 0.00 -1.07 -4.80 105.19 99.77 3gka n GLY 238 Ca -0.01 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.32 3gka n GLY 238 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gka n ASP 239 N -3.04 3.78 -4.09 1.61 5.75 -1.26 -3.76 116.55 115.53 3gka n ASP 239 Ca -0.08 -2.10 -0.25 0.00 -0.01 0.00 0.00 54.79 52.35 3gka n ASP 239 Cb 0.59 -0.43 -0.16 0.00 -1.03 0.00 0.00 41.12 40.09 3gka n ASP 239 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gka s ALA 240 N -1.18 1.39 -1.13 2.12 0.00 -1.26 -4.87 121.76 116.83 3gka s ALA 240 Ca 0.42 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 3gka s ALA 240 Cb 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3gka s ALA 240 CO 0.26 0.22 0.95 0.72 0.00 0.00 0.00 175.76 177.91 3gka n HIS 241 N 3.32 -2.12 -3.70 0.00 8.25 -1.26 -3.59 115.22 116.12 3gka n HIS 241 Ca -0.19 0.88 -0.24 0.00 -0.26 0.00 0.00 57.72 57.91 3gka n HIS 241 Cb 0.53 -4.84 0.05 0.00 1.12 0.00 0.00 29.99 26.85 3gka n HIS 241 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3gka n THR 242 N -4.02 -3.56 -1.86 1.59 -1.04 -1.26 -4.81 114.28 99.31 3gka n THR 242 Ca -0.23 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.05 61.45 3gka n THR 242 Cb 0.64 -3.72 0.07 0.00 -1.82 0.00 0.00 70.33 65.51 3gka n THR 242 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3gka n MET 243 N -4.57 -0.18 0.00 -2.82 2.00 -1.24 -4.78 117.12 105.54 3gka n MET 243 Ca -0.11 -1.04 0.00 0.00 0.00 0.00 0.00 57.70 56.55 3gka n MET 243 Cb 0.60 -0.46 0.00 0.00 0.00 0.00 0.00 33.22 33.36 3gka n MET 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gka n GLY 244 N 1.37 4.74 2.98 3.03 0.00 -1.25 -4.84 105.19 111.22 3gka n GLY 244 Ca 0.07 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 3gka n GLY 244 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gka s ASP 245 N 0.00 0.49 0.42 1.61 2.15 -1.26 -2.60 116.67 117.47 3gka s ASP 245 Ca 0.00 -0.31 0.10 0.00 0.43 0.00 0.00 52.55 52.77 3gka s ASP 245 Cb 0.00 0.02 0.94 0.00 -0.30 0.00 0.00 42.92 43.58 3gka s ASP 245 CO 0.00 -0.11 2.02 0.77 -0.17 0.00 0.00 175.17 177.67 3gka h SER 246 N 5.25 0.42 -1.91 -0.34 4.64 -1.98 -3.35 113.55 116.28 3gka h SER 246 Ca -0.31 -0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.54 3gka h SER 246 Cb 1.20 -0.09 -0.32 0.00 -0.31 0.00 0.00 62.40 62.88 3gka h SER 246 CO 0.45 0.28 -0.88 -0.67 -0.87 0.00 0.00 176.83 175.15 3gka n ASP 247 N -4.47 -1.12 -0.20 4.97 -0.08 -1.26 -5.02 116.55 109.36 3gka n ASP 247 Ca 0.07 -2.58 -0.00 0.00 -1.51 0.00 0.00 54.79 50.76 3gka n ASP 247 Cb 0.22 0.03 0.11 0.00 2.34 0.00 0.00 41.12 43.82 3gka n ASP 247 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3gka h PRO 248 N 5.17 0.44 -0.98 -0.67 0.11 -1.92 -0.84 132.00 133.31 3gka h PRO 248 Ca 0.17 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.38 3gka h PRO 248 Cb 0.95 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 31.88 3gka h PRO 248 CO 0.31 0.29 0.61 0.00 -0.21 0.00 0.00 178.00 178.99 3gka h ALA 249 N 1.40 1.49 -0.15 -0.75 0.00 -1.95 0.22 119.26 119.52 3gka h ALA 249 Ca 0.30 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 3gka h ALA 249 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gka h ALA 249 CO -0.28 0.18 -0.47 0.00 0.00 0.00 0.00 179.25 178.67 3gka h ALA 250 N 1.54 0.26 0.20 0.00 0.00 -1.69 -1.84 119.26 117.73 3gka h ALA 250 Ca 0.49 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gka h ALA 250 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gka h ALA 250 CO -0.28 0.42 -0.10 1.15 0.00 0.00 0.00 179.25 180.44 3gka h THR 251 N 0.23 0.88 -0.01 0.00 2.02 -0.49 -2.36 112.91 113.18 3gka h THR 251 Ca -0.02 -0.80 -0.16 0.00 0.77 0.00 0.00 66.41 66.20 3gka h THR 251 Cb 1.10 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 3gka h THR 251 CO 0.10 0.17 -0.73 -0.26 0.37 0.00 0.00 175.52 175.17 3gka h PHE 252 N -0.70 0.11 -0.29 3.16 0.04 -0.74 -2.70 116.94 115.83 3gka h PHE 252 Ca -0.03 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 3gka h PHE 252 Cb 0.49 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3gka h PHE 252 CO 0.05 0.78 0.16 0.78 -0.60 0.00 0.00 178.31 179.48 3gka h GLY 253 N 1.97 0.43 0.65 -1.45 0.00 -1.39 0.19 103.07 103.48 3gka h GLY 253 Ca -0.01 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.16 3gka h GLY 253 CO 0.10 0.19 0.11 0.84 0.00 0.00 0.00 176.54 177.78 3gka h HIS 254 N 0.35 0.18 -0.39 5.60 -0.00 -1.37 0.94 115.15 120.46 3gka h HIS 254 Ca 0.10 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 3gka h HIS 254 Cb 0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 3gka h HIS 254 CO -0.03 0.07 0.26 0.28 -0.00 0.00 0.00 177.93 178.50 3gka h VAL 255 N 0.24 1.11 -0.81 5.26 2.07 -1.20 -1.33 116.25 121.60 3gka h VAL 255 Ca 0.16 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3gka h VAL 255 Cb 0.16 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3gka h VAL 255 CO -0.18 0.11 0.45 0.00 0.02 0.00 0.00 177.57 177.96 3gka h ALA 256 N 1.13 1.03 -0.50 1.67 0.00 -0.16 -0.58 119.26 121.85 3gka h ALA 256 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gka h ALA 256 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3gka h ALA 256 CO -0.03 0.54 0.21 0.00 0.00 0.00 0.00 179.25 179.97 3gka h ARG 257 N 1.12 0.75 -0.39 0.00 3.08 -0.54 -1.81 114.38 116.59 3gka h ARG 257 Ca 0.29 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 3gka h ARG 257 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3gka h ARG 257 CO -0.05 0.66 -0.24 0.93 -1.07 0.00 0.00 179.97 180.20 3gka h GLU 258 N 0.67 0.78 -0.28 0.04 4.39 -0.82 -1.34 114.58 118.02 3gka h GLU 258 Ca 0.17 -0.33 -0.17 0.00 0.34 0.00 0.00 59.36 59.37 3gka h GLU 258 Cb 0.18 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3gka h GLU 258 CO -0.01 0.94 -0.50 -0.07 -1.16 0.00 0.00 179.01 178.21 3gka h LEU 259 N 0.68 0.87 -0.87 1.33 3.38 -1.07 -2.92 115.31 116.70 3gka h LEU 259 Ca 0.09 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3gka h LEU 259 Cb 0.76 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3gka h LEU 259 CO 0.06 1.22 0.41 1.23 0.09 0.00 0.00 178.44 181.44 3gka h GLY 260 N 0.83 1.31 1.84 0.83 0.00 -1.19 -2.19 103.07 104.50 3gka h GLY 260 Ca 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3gka h GLY 260 CO 0.11 0.62 0.07 3.21 0.00 0.00 0.00 176.54 180.55 3gka h ARG 261 N 1.21 0.22 -0.00 4.80 3.08 -1.17 -0.88 114.38 121.63 3gka h ARG 261 Ca 0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3gka h ARG 261 Cb 0.12 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gka h ARG 261 CO -0.04 0.18 -0.05 0.54 -1.07 0.00 0.00 179.97 179.53 3gka n ARG 262 N -4.48 0.45 -3.73 0.04 1.74 -0.86 -4.95 116.66 104.87 3gka n ARG 262 Ca -0.01 -0.06 -0.25 0.00 -0.77 0.00 0.00 57.85 56.76 3gka n ARG 262 Cb 0.11 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.10 3gka n ARG 262 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3gka n ARG 263 N -1.22 -6.02 -1.05 5.56 -4.01 -0.34 -4.80 116.66 104.78 3gka n ARG 263 Ca 0.13 0.68 -0.29 0.00 -1.04 0.00 0.00 57.85 57.34 3gka n ARG 263 Cb 0.26 -5.53 0.17 0.00 -3.04 0.00 0.00 32.46 24.32 3gka n ARG 263 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 3gka s ILE 264 N -3.42 2.31 0.12 8.89 -4.36 -1.22 -4.32 121.20 119.20 3gka s ILE 264 Ca 0.38 0.10 -0.22 0.00 -0.26 0.00 0.00 60.65 60.65 3gka s ILE 264 Cb -0.18 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 40.99 3gka s ILE 264 CO 0.79 -0.13 1.68 0.00 0.24 0.00 0.00 174.94 177.53 3gka h ALA 265 N -1.88 -0.03 -2.80 2.27 0.00 0.43 -3.45 119.26 113.79 3gka h ALA 265 Ca -0.53 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.48 3gka h ALA 265 Cb 1.31 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 3gka h ALA 265 CO 0.54 -0.57 0.30 -0.59 0.00 0.00 0.00 179.25 178.93 3gka s PHE 266 N -6.16 -0.34 -0.17 0.00 -0.12 -1.24 -4.22 117.98 105.73 3gka s PHE 266 Ca -0.14 0.04 0.01 0.00 -0.05 0.00 0.00 56.93 56.79 3gka s PHE 266 Cb 0.10 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 43.12 3gka s PHE 266 CO 0.67 -0.93 -0.20 -1.17 -0.05 0.00 0.00 175.22 173.54 3gka s LEU 267 N -2.80 2.07 -0.28 -1.99 2.96 -0.51 -2.50 118.68 115.63 3gka s LEU 267 Ca 0.07 -0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 53.26 3gka s LEU 267 Cb -0.03 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 3gka s LEU 267 CO -0.04 0.01 0.14 0.12 -1.32 0.00 0.00 176.35 175.26 3gka s PHE 268 N 1.23 3.16 -0.23 5.38 5.99 -0.06 -0.77 117.98 132.68 3gka s PHE 268 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 56.93 56.70 3gka s PHE 268 Cb -0.13 -2.33 0.01 0.00 0.00 0.00 0.00 43.02 40.57 3gka s PHE 268 CO -0.11 -0.30 -0.06 0.00 -0.00 0.00 0.00 175.22 174.75 3gka s ALA 269 N 1.68 2.72 -0.54 11.12 0.00 -0.34 -0.56 121.76 135.85 3gka s ALA 269 Ca 0.06 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.43 3gka s ALA 269 Cb -0.16 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.33 3gka s ALA 269 CO 0.07 -0.63 1.05 0.50 0.00 0.00 0.00 175.76 176.75 3gka s ARG 270 N 1.39 3.47 -0.29 0.00 3.52 0.02 -2.75 118.95 124.30 3gka s ARG 270 Ca 0.03 0.08 -0.04 0.00 -0.13 0.00 0.00 55.73 55.67 3gka s ARG 270 Cb -0.15 -4.00 0.19 0.00 -1.56 0.00 0.00 34.95 29.43 3gka s ARG 270 CO -0.05 -1.50 0.86 -2.00 -0.81 0.00 0.00 175.30 171.81 3gka s GLU 271 N 4.32 0.31 0.30 5.12 2.12 -0.53 -4.09 118.70 126.26 3gka s GLU 271 Ca 0.38 0.32 -0.28 0.00 0.36 0.00 0.00 54.97 55.74 3gka s GLU 271 Cb -0.10 0.15 -0.13 0.00 0.26 0.00 0.00 34.13 34.30 3gka s GLU 271 CO 0.24 -0.58 1.15 -1.13 -0.54 0.00 0.00 175.26 174.40 3gka n SER 272 N 5.24 1.96 -4.76 -1.70 3.41 -1.23 -4.60 113.62 111.95 3gka n SER 272 Ca 0.07 1.19 -0.35 0.00 -0.26 0.00 0.00 58.87 59.52 3gka n SER 272 Cb 0.56 -1.37 0.04 0.00 -0.26 0.00 0.00 64.21 63.18 3gka n SER 272 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3gka s PHE 273 N -0.97 2.47 -5.00 7.33 0.40 -1.26 -4.78 117.98 116.17 3gka s PHE 273 Ca 0.58 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 3gka s PHE 273 Cb -0.65 -3.35 0.00 0.00 0.51 0.00 0.00 43.02 39.53 3gka s PHE 273 CO 0.60 -1.96 0.00 0.41 0.70 0.00 0.00 175.22 174.97 3gka n GLY 274 N 0.13 -2.17 0.29 4.36 0.00 -1.26 -4.98 105.19 101.56 3gka n GLY 274 Ca 0.12 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.91 3gka n GLY 274 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gka h GLY 275 N 0.00 0.00 -1.80 -0.02 0.00 -2.05 -1.83 103.07 97.37 3gka h GLY 275 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gka h GLY 275 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3gka n ASP 276 N -4.35 2.98 -4.75 0.19 5.75 -1.26 -5.00 116.55 110.11 3gka n ASP 276 Ca -0.01 -1.88 -0.41 0.00 -0.01 0.00 0.00 54.79 52.48 3gka n ASP 276 Cb 0.18 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 3gka n ASP 276 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gka s ALA 277 N -1.39 3.60 -0.68 2.12 0.00 -0.69 -4.92 121.76 119.80 3gka s ALA 277 Ca 0.29 1.34 0.10 0.00 0.00 0.00 0.00 51.96 53.69 3gka s ALA 277 Cb 0.18 -3.55 0.29 0.00 0.00 0.00 0.00 23.12 20.04 3gka s ALA 277 CO 0.25 -0.75 1.23 0.44 0.00 0.00 0.00 175.76 176.93 3gka n ILE 278 N 1.80 1.17 -0.32 0.00 -5.35 -1.26 -4.78 119.36 110.62 3gka n ILE 278 Ca 0.05 -1.13 0.06 0.00 -0.27 0.00 0.00 62.75 61.46 3gka n ILE 278 Cb 0.40 0.40 0.22 0.00 -1.74 0.00 0.00 39.64 38.92 3gka n ILE 278 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3gka h GLY 279 N 1.65 1.45 1.49 3.28 0.00 -1.95 -2.00 103.07 107.00 3gka h GLY 279 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 3gka h GLY 279 CO 0.03 0.07 -0.14 1.46 0.00 0.00 0.00 176.54 177.95 3gka h GLN 280 N 0.79 0.61 -0.41 4.80 1.08 -1.89 0.57 115.11 120.65 3gka h GLN 280 Ca 0.46 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 57.49 3gka h GLN 280 Cb 0.54 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 3gka h GLN 280 CO -0.30 0.73 0.24 1.96 -0.95 0.00 0.00 178.83 180.51 3gka h GLN 281 N 0.55 0.47 -0.52 1.46 4.20 -1.74 -2.46 115.11 117.07 3gka h GLN 281 Ca 0.10 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3gka h GLN 281 Cb 0.56 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3gka h GLN 281 CO 0.04 0.31 0.01 -0.07 -0.67 0.00 0.00 178.83 178.45 3gka h LEU 282 N 0.48 0.84 -0.17 1.46 3.38 -0.90 -2.21 115.31 118.19 3gka h LEU 282 Ca 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gka h LEU 282 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3gka h LEU 282 CO -0.08 0.89 0.03 0.50 0.09 0.00 0.00 178.44 179.87 3gka h LYS 283 N 0.81 0.28 -0.59 1.13 3.64 -0.83 0.47 116.57 121.48 3gka h LYS 283 Ca 0.16 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3gka h LYS 283 Cb 0.47 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3gka h LYS 283 CO 0.02 0.45 0.21 0.00 -2.27 0.00 0.00 179.45 177.85 3gka h ALA 284 N 0.82 1.25 -0.21 5.00 0.00 -1.39 0.34 119.26 125.08 3gka h ALA 284 Ca 0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3gka h ALA 284 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gka h ALA 284 CO 0.00 0.54 -0.44 0.00 0.00 0.00 0.00 179.25 179.35 3gka h ALA 285 N 1.37 0.85 0.01 0.00 0.00 -1.23 -3.34 119.26 116.92 3gka h ALA 285 Ca 0.20 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gka h ALA 285 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gka h ALA 285 CO -0.01 0.65 -0.00 0.35 0.00 0.00 0.00 179.25 180.23 3gka h PHE 286 N 0.41 -0.01 0.00 0.00 3.57 -0.57 -3.32 116.94 117.02 3gka h PHE 286 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3gka h PHE 286 Cb 0.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3gka h PHE 286 CO 0.03 0.77 0.00 0.41 -2.23 0.00 0.00 178.31 177.29 3gka n GLY 287 N 1.49 2.62 1.81 2.40 0.00 0.08 -4.21 105.19 109.38 3gka n GLY 287 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3gka n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gka n GLY 288 N -2.00 2.72 3.63 -0.02 0.00 -1.26 -5.05 105.19 103.20 3gka n GLY 288 Ca 0.00 -2.22 -0.56 0.00 0.00 0.00 0.00 46.02 43.24 3gka n GLY 288 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gka n PRO 289 N -1.21 0.92 -4.03 1.61 -0.02 -1.26 -4.84 135.00 126.17 3gka n PRO 289 Ca 0.01 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 3gka n PRO 289 Cb 0.29 -1.96 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 3gka n PRO 289 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3gka s PHE 290 N 1.63 2.48 -0.27 6.00 5.36 -1.26 -1.43 117.98 130.49 3gka s PHE 290 Ca 0.91 -1.57 -0.09 0.00 -0.96 0.00 0.00 56.93 55.22 3gka s PHE 290 Cb -1.07 -1.69 -0.03 0.00 -0.34 0.00 0.00 43.02 39.88 3gka s PHE 290 CO 0.57 -0.75 0.14 0.42 -1.46 0.00 0.00 175.22 174.14 3gka s ILE 291 N 1.38 4.81 0.39 3.12 1.01 0.05 -0.66 121.20 131.30 3gka s ILE 291 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.62 3gka s ILE 291 Cb -0.15 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 3gka s ILE 291 CO -0.09 0.25 0.57 0.68 0.00 0.00 0.00 174.94 176.35 3gka s VAL 292 N 1.68 4.24 -0.17 2.92 -7.23 -0.81 -1.19 120.40 119.84 3gka s VAL 292 Ca 0.06 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 3gka s VAL 292 Cb -0.16 -3.53 0.13 0.00 0.56 0.00 0.00 36.38 33.38 3gka s VAL 292 CO 0.07 -0.30 1.00 0.21 -0.31 0.00 0.00 175.10 175.77 3gka s ASN 293 N -4.17 -0.38 0.00 4.85 3.84 -1.11 -1.36 114.94 116.62 3gka s ASN 293 Ca 0.45 0.44 0.00 0.00 0.21 0.00 0.00 52.86 53.96 3gka s ASN 293 Cb -0.10 0.35 0.00 0.00 -0.55 0.00 0.00 41.25 40.95 3gka s ASN 293 CO 0.35 -0.33 0.00 1.21 -2.79 0.00 0.00 177.10 175.54 3gka n GLU 294 N 0.85 0.00 -2.81 0.43 2.13 -1.26 -1.45 120.64 118.52 3gka n GLU 294 Ca -0.10 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.50 3gka n GLU 294 Cb 0.58 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.31 3gka n GLU 294 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gka n ASN 295 N 0.00 -6.03 -4.83 4.31 3.02 -1.26 -4.15 115.26 106.32 3gka n ASN 295 Ca 0.00 -0.20 -0.37 0.00 -0.03 0.00 0.00 54.58 53.99 3gka n ASN 295 Cb 0.00 -4.92 -0.06 0.00 -0.61 0.00 0.00 39.78 34.19 3gka n ASN 295 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3gka s PHE 296 N -3.13 3.70 0.40 3.10 0.08 -1.26 -4.99 117.98 115.88 3gka s PHE 296 Ca 0.20 1.19 0.08 0.00 0.12 0.00 0.00 56.93 58.51 3gka s PHE 296 Cb -0.09 -2.45 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 3gka s PHE 296 CO 0.25 0.49 0.40 0.95 -0.10 0.00 0.00 175.22 177.21 3gka s THR 297 N -1.31 2.92 0.20 0.64 -4.23 -1.26 -4.98 115.64 107.63 3gka s THR 297 Ca 0.34 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.44 3gka s THR 297 Cb -0.17 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 70.82 3gka s THR 297 CO 0.19 -0.04 1.64 0.25 -0.54 0.00 0.00 174.62 176.13 3gka h LEU 298 N 1.00 -0.46 -0.13 4.79 5.85 -1.99 -1.70 115.31 122.67 3gka h LEU 298 Ca -0.42 0.17 -0.24 0.00 0.84 0.00 0.00 57.88 58.23 3gka h LEU 298 Cb 1.27 0.33 0.01 0.00 0.37 0.00 0.00 40.66 42.64 3gka h LEU 298 CO 0.55 -0.17 -0.95 0.44 -0.34 0.00 0.00 178.44 177.97 3gka h ASP 299 N 0.03 0.70 0.63 1.25 3.32 -1.99 -1.47 116.42 118.89 3gka h ASP 299 Ca 0.29 -0.54 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 3gka h ASP 299 Cb 0.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3gka h ASP 299 CO -0.57 1.34 -0.31 0.77 -1.72 0.00 0.00 179.24 178.75 3gka h SER 300 N 0.32 0.00 -0.04 6.45 4.64 -1.94 -0.28 113.55 122.70 3gka h SER 300 Ca -0.09 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.05 3gka h SER 300 Cb 1.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.69 3gka h SER 300 CO 0.18 0.31 -0.65 0.00 -0.87 0.00 0.00 176.83 175.79 3gka h ALA 301 N 1.69 0.13 -0.57 5.18 0.00 -1.13 -1.86 119.26 122.70 3gka h ALA 301 Ca -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 3gka h ALA 301 Cb 0.71 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3gka h ALA 301 CO 0.04 0.43 0.15 0.37 0.00 0.00 0.00 179.25 180.24 3gka h GLN 302 N 0.07 0.91 -0.83 0.00 5.75 -1.15 -2.30 115.11 117.56 3gka h GLN 302 Ca -0.07 -0.21 0.13 0.00 -0.15 0.00 0.00 58.65 58.34 3gka h GLN 302 Cb 1.33 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.70 3gka h GLN 302 CO 0.13 0.84 0.54 0.00 -2.65 0.00 0.00 178.83 177.69 3gka h ALA 303 N 1.03 1.87 -0.26 3.38 0.00 -1.06 0.44 119.26 124.65 3gka h ALA 303 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3gka h ALA 303 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gka h ALA 303 CO -0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.08 3gka h ALA 304 N 1.61 0.36 -0.54 0.00 0.00 -0.87 -1.84 119.26 117.98 3gka h ALA 304 Ca 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gka h ALA 304 Cb 0.65 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3gka h ALA 304 CO -0.16 0.20 0.25 -0.07 0.00 0.00 0.00 179.25 179.47 3gka h LEU 305 N 0.26 0.71 -1.21 0.00 4.07 -0.90 0.69 115.31 118.94 3gka h LEU 305 Ca 0.06 -0.14 -0.07 0.00 0.08 0.00 0.00 57.88 57.82 3gka h LEU 305 Cb 0.58 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3gka h LEU 305 CO 0.03 0.65 -0.16 0.44 -1.08 0.00 0.00 178.44 178.33 3gka h ASP 306 N 0.73 0.34 0.04 -0.43 3.32 -0.88 -2.40 116.42 117.14 3gka h ASP 306 Ca 0.18 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gka h ASP 306 Cb 0.13 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3gka h ASP 306 CO -0.02 0.53 -0.02 0.00 -1.72 0.00 0.00 179.24 178.00 3gka n ALA 307 N -2.48 2.65 -1.64 3.45 0.00 -0.70 -4.93 120.51 116.86 3gka n ALA 307 Ca -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.03 3gka n ALA 307 Cb 0.32 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 3gka n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gka n GLY 308 N 1.15 0.45 0.01 0.00 0.00 -0.90 -4.93 105.19 100.96 3gka n GLY 308 Ca 0.20 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.56 3gka n GLY 308 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gka n GLN 309 N -2.12 0.16 -3.49 1.61 6.02 0.19 -4.95 117.38 114.79 3gka n GLN 309 Ca -0.05 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.79 3gka n GLN 309 Cb 0.36 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 3gka n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gka s ALA 310 N -3.12 -1.51 -0.05 -1.58 0.00 -1.21 -4.86 121.76 109.44 3gka s ALA 310 Ca 0.06 0.61 0.22 0.00 0.00 0.00 0.00 51.96 52.85 3gka s ALA 310 Cb 0.15 0.60 -0.32 0.00 0.00 0.00 0.00 23.12 23.55 3gka s ALA 310 CO 0.82 -0.63 0.51 -0.25 0.00 0.00 0.00 175.76 176.21 3gka n ASP 311 N 0.04 0.05 -3.56 0.00 8.00 0.17 -4.26 116.55 116.99 3gka n ASP 311 Ca -0.18 0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.22 3gka n ASP 311 Cb 0.62 1.92 -0.03 0.00 -0.02 0.00 0.00 41.12 43.61 3gka n ASP 311 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gka s ALA 312 N -3.51 -1.25 -0.04 2.24 0.00 -1.17 -4.91 121.76 113.12 3gka s ALA 312 Ca -0.08 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3gka s ALA 312 Cb 0.14 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.08 3gka s ALA 312 CO 0.90 -0.74 -0.10 0.08 0.00 0.00 0.00 175.76 175.90 3gka s VAL 313 N -3.79 0.92 -0.04 0.00 1.01 -0.75 -1.92 120.40 115.82 3gka s VAL 313 Ca 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3gka s VAL 313 Cb -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 3gka s VAL 313 CO -0.10 0.29 -0.02 0.00 0.00 0.00 0.00 175.10 175.26 3gka s ALA 314 N 0.29 3.19 -0.01 5.51 0.00 -0.46 -1.24 121.76 129.04 3gka s ALA 314 Ca -0.06 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.08 3gka s ALA 314 Cb -0.11 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 3gka s ALA 314 CO 0.01 0.61 -0.25 -1.58 0.00 0.00 0.00 175.76 174.55 3gka s TRP 315 N -0.96 2.23 0.00 0.00 0.51 -0.84 -4.28 118.94 115.60 3gka s TRP 315 Ca 0.16 -0.42 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 3gka s TRP 315 Cb -0.11 -1.43 0.00 0.00 -0.81 0.00 0.00 33.47 31.12 3gka s TRP 315 CO 0.06 -0.02 0.00 0.41 -0.51 0.00 0.00 176.95 176.88 3gka n GLY 316 N 2.40 -0.33 0.34 0.98 0.00 -1.26 -1.39 105.19 105.93 3gka n GLY 316 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.95 3gka n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gka h LYS 317 N 0.00 0.74 -0.32 1.61 1.57 -1.97 -0.50 116.57 117.70 3gka h LYS 317 Ca 0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3gka h LYS 317 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3gka h LYS 317 CO 0.00 0.49 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.19 3gka h LEU 318 N 0.77 0.53 -0.88 2.94 3.38 -1.95 -2.52 115.31 117.58 3gka h LEU 318 Ca 0.51 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 3gka h LEU 318 Cb 0.69 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3gka h LEU 318 CO -0.34 0.68 -0.47 -0.26 0.09 0.00 0.00 178.44 178.13 3gka h PHE 319 N 0.51 0.00 -0.05 1.13 -1.00 -1.33 0.35 116.94 116.54 3gka h PHE 319 Ca 0.09 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.91 3gka h PHE 319 Cb 0.50 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.02 3gka h PHE 319 CO 0.02 0.47 -0.17 0.82 -1.61 0.00 0.00 178.31 177.83 3gka h ILE 320 N 0.00 0.57 0.00 -0.55 2.04 -0.97 -3.25 117.51 115.34 3gka h ILE 320 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3gka h ILE 320 Cb 0.97 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3gka h ILE 320 CO 0.06 0.00 -0.64 0.00 0.00 0.00 0.00 178.15 177.57 3gka h ALA 321 N 0.70 0.68 -3.05 1.87 0.00 -1.25 -3.44 119.26 114.78 3gka h ALA 321 Ca 0.07 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.37 3gka h ALA 321 Cb 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.75 3gka h ALA 321 CO -0.20 0.00 -0.74 -0.80 0.00 0.00 0.00 179.25 177.51 3gka s ASN 322 N -5.66 3.77 0.40 0.00 0.01 0.12 -4.62 114.94 108.96 3gka s ASN 322 Ca 0.02 -2.43 0.12 0.00 -0.71 0.00 0.00 52.86 49.86 3gka s ASN 322 Cb 0.08 -1.03 0.83 0.00 0.41 0.00 0.00 41.25 41.54 3gka s ASN 322 CO 0.75 -0.30 1.91 1.55 -1.51 0.00 0.00 177.10 179.50 3gka h PRO 323 N 7.01 0.10 -0.96 -0.60 0.13 -1.83 -2.57 132.00 133.28 3gka h PRO 323 Ca -0.03 -0.03 -0.66 0.00 -0.87 0.00 0.00 66.00 64.41 3gka h PRO 323 Cb 0.95 -0.01 -0.31 0.00 0.13 0.00 0.00 31.00 31.75 3gka h PRO 323 CO 0.48 0.32 0.59 -0.40 -0.23 0.00 0.00 178.00 178.76 3gka n ASP 324 N -4.24 7.21 -0.22 1.44 5.75 -1.26 -4.24 116.55 121.00 3gka n ASP 324 Ca -0.02 -3.78 0.02 0.00 -0.01 0.00 0.00 54.79 51.00 3gka n ASP 324 Cb 0.30 -0.87 0.12 0.00 -1.03 0.00 0.00 41.12 39.64 3gka n ASP 324 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3gka h LEU 325 N 2.02 -0.20 -0.45 -2.12 5.85 -1.82 -0.63 115.31 117.97 3gka h LEU 325 Ca 0.57 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.50 3gka h LEU 325 Cb 0.95 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 3gka h LEU 325 CO 1.45 -0.09 0.14 -0.65 -0.34 0.00 0.00 178.44 178.95 3gka h PRO 326 N 0.16 0.30 -0.36 5.25 0.11 -1.89 0.11 132.00 135.68 3gka h PRO 326 Ca 0.35 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.32 3gka h PRO 326 Cb 0.57 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3gka h PRO 326 CO -0.52 0.20 -0.25 -0.09 -0.21 0.00 0.00 178.00 177.12 3gka h ARG 327 N 0.30 0.72 -0.91 1.05 2.43 -1.73 -0.35 114.38 115.90 3gka h ARG 327 Ca 0.21 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3gka h ARG 327 Cb 0.23 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3gka h ARG 327 CO -0.23 0.90 0.54 0.00 -1.51 0.00 0.00 179.97 179.67 3gka h ARG 328 N 0.63 1.23 -0.17 0.20 3.08 -0.43 -1.59 114.38 117.34 3gka h ARG 328 Ca 0.08 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3gka h ARG 328 Cb 0.75 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3gka h ARG 328 CO 0.06 0.86 0.05 0.74 -1.07 0.00 0.00 179.97 180.61 3gka h PHE 329 N 1.25 0.27 -0.63 3.04 0.04 -0.56 -0.75 116.94 119.60 3gka h PHE 329 Ca 0.32 -0.03 0.12 0.00 2.80 0.00 0.00 57.97 61.19 3gka h PHE 329 Cb -0.05 -0.08 -0.12 0.00 2.20 0.00 0.00 35.95 37.90 3gka h PHE 329 CO 0.00 0.36 -0.22 0.87 -0.60 0.00 0.00 178.31 178.73 3gka h LYS 330 N 0.10 -0.06 -0.02 1.51 1.79 -0.77 -2.78 116.57 116.34 3gka h LYS 330 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3gka h LYS 330 Cb 0.22 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3gka h LYS 330 CO -0.00 -0.04 -0.01 1.28 -1.08 0.00 0.00 179.45 179.60 3gka n LEU 331 N -5.45 1.61 -3.90 2.94 4.77 -0.62 -4.93 117.00 111.43 3gka n LEU 331 Ca 0.07 -0.53 -0.30 0.00 -0.03 0.00 0.00 56.01 55.22 3gka n LEU 331 Cb 0.35 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3gka n LEU 331 CO 0.03 0.27 0.11 -3.20 -1.33 0.00 0.00 177.39 173.27 3gka n ASN 332 N 0.24 -4.78 -4.86 -1.43 5.15 -0.63 -4.96 115.26 103.98 3gka n ASN 332 Ca 0.18 -0.77 -0.31 0.00 -0.60 0.00 0.00 54.58 53.08 3gka n ASN 332 Cb 0.38 -3.94 -0.04 0.00 -0.53 0.00 0.00 39.78 35.64 3gka n ASN 332 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gka s ALA 333 N -3.31 3.27 0.65 5.20 0.00 -0.38 -5.03 121.76 122.15 3gka s ALA 333 Ca 0.64 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 3gka s ALA 333 Cb -0.32 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3gka s ALA 333 CO 0.83 0.00 0.85 -2.30 0.00 0.00 0.00 175.76 175.14 3gka n PRO 334 N -1.18 0.64 -4.20 0.00 -0.02 -1.26 -4.81 135.00 124.17 3gka n PRO 334 Ca 0.04 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 3gka n PRO 334 Cb 0.54 -2.08 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 3gka n PRO 334 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gka s LEU 335 N -1.77 3.68 0.59 2.45 1.43 -1.26 -5.03 118.68 118.77 3gka s LEU 335 Ca 0.73 0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 53.70 3gka s LEU 335 Cb -0.39 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3gka s LEU 335 CO 0.50 0.28 1.23 0.20 0.23 0.00 0.00 176.35 178.79 3gka s ASN 336 N -1.65 5.16 -0.09 2.29 0.01 -1.26 -5.02 114.94 114.39 3gka s ASN 336 Ca 0.21 2.45 -0.16 0.00 -0.71 0.00 0.00 52.86 54.66 3gka s ASN 336 Cb -0.12 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.89 3gka s ASN 336 CO 0.12 -1.61 0.41 -1.83 -1.51 0.00 0.00 177.10 172.67 3gka s GLU 337 N -3.26 4.16 0.37 -0.60 -1.05 -1.26 -4.77 118.70 112.30 3gka s GLU 337 Ca 0.77 0.35 -0.26 0.00 -0.15 0.00 0.00 54.97 55.68 3gka s GLU 337 Cb -0.32 -3.36 -0.09 0.00 -0.44 0.00 0.00 34.13 29.92 3gka s GLU 337 CO 0.35 0.37 1.12 -2.14 0.95 0.00 0.00 175.26 175.92 3gka s PRO 338 N -0.03 4.22 -0.44 -4.83 0.02 -1.26 -4.88 135.00 127.80 3gka s PRO 338 Ca 0.23 1.75 -0.11 0.00 0.02 0.00 0.00 61.00 62.88 3gka s PRO 338 Cb -0.15 -2.76 0.08 0.00 0.02 0.00 0.00 34.50 31.69 3gka s PRO 338 CO 0.10 -0.15 0.31 1.21 -0.33 0.00 0.00 177.00 178.14 3gka s ASN 339 N -1.19 5.79 0.50 2.53 3.84 -1.26 -4.97 114.94 120.19 3gka s ASN 339 Ca 0.54 -1.53 0.23 0.00 0.21 0.00 0.00 52.86 52.31 3gka s ASN 339 Cb -0.29 -2.05 1.31 0.00 -0.55 0.00 0.00 41.25 39.68 3gka s ASN 339 CO 0.36 -0.60 1.98 0.00 -2.79 0.00 0.00 177.10 176.05 3gka h ALA 340 N 8.51 2.40 -0.29 1.71 0.00 -2.00 -2.19 119.26 127.41 3gka h ALA 340 Ca -0.24 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.74 3gka h ALA 340 Cb 1.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3gka h ALA 340 CO 0.81 -0.56 0.25 0.00 0.00 0.00 0.00 179.25 179.75 3gka h ALA 341 N 1.71 2.09 -0.19 0.00 0.00 -2.01 -2.40 119.26 118.46 3gka h ALA 341 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gka h ALA 341 Cb 0.96 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3gka h ALA 341 CO -0.03 -0.40 0.00 0.25 0.00 0.00 0.00 179.25 179.07 3gka n THR 342 N -4.10 1.34 -0.35 0.00 -2.24 -0.82 -4.55 114.28 103.56 3gka n THR 342 Ca 0.04 -1.31 0.04 0.00 -2.27 0.00 0.00 64.05 60.55 3gka n THR 342 Cb 0.40 0.28 0.19 0.00 -2.10 0.00 0.00 70.33 69.10 3gka n THR 342 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3gka h PHE 343 N 1.18 1.10 -0.03 4.78 -1.00 -1.47 -3.23 116.94 118.27 3gka h PHE 343 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3gka h PHE 343 Cb 0.83 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.04 3gka h PHE 343 CO 0.19 0.50 0.00 0.66 -1.61 0.00 0.00 178.31 178.05 3gka n TYR 344 N -4.60 0.03 -1.51 -0.55 4.01 -1.26 -4.42 117.16 108.86 3gka n TYR 344 Ca 0.16 -0.32 -0.29 0.00 -0.16 0.00 0.00 57.90 57.30 3gka n TYR 344 Cb 0.26 -0.03 0.15 0.00 -0.31 0.00 0.00 39.34 39.40 3gka n TYR 344 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gka s ALA 345 N -0.67 1.68 0.38 -0.72 0.00 -1.22 -4.74 121.76 116.48 3gka s ALA 345 Ca 0.02 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.18 3gka s ALA 345 Cb 0.01 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 3gka s ALA 345 CO 0.02 -2.40 0.93 -0.65 0.00 0.00 0.00 175.76 173.65 3gka s GLN 346 N -5.30 4.32 0.59 0.00 -0.21 -1.26 -4.72 119.66 113.08 3gka s GLN 346 Ca 0.65 1.15 0.00 0.00 0.02 0.00 0.00 55.36 57.17 3gka s GLN 346 Cb -0.14 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.46 3gka s GLN 346 CO 0.54 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 174.20 3gka n GLY 347 N -0.22 -2.19 0.23 3.09 0.00 -1.26 -4.51 105.19 100.34 3gka n GLY 347 Ca 0.05 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.73 3gka n GLY 347 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3gka h GLU 348 N 0.00 0.00 -6.50 1.61 4.11 -1.99 -3.42 114.58 108.40 3gka h GLU 348 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 3gka h GLU 348 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 3gka h GLU 348 CO 0.00 0.00 0.88 0.08 0.07 0.00 0.00 179.01 180.04 3gka s VAL 349 N -3.43 3.08 -1.49 -1.06 1.01 -1.26 -1.30 120.40 115.94 3gka s VAL 349 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3gka s VAL 349 Cb 0.08 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3gka s VAL 349 CO 0.57 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3gka n GLY 350 N 3.76 1.08 1.50 4.51 0.00 -1.26 -4.83 105.19 109.95 3gka n GLY 350 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3gka n GLY 350 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gka n TYR 351 N -2.93 -0.91 -0.08 1.61 9.36 -0.42 -4.73 117.16 119.07 3gka n TYR 351 Ca -0.15 0.16 0.04 0.00 3.32 0.00 0.00 57.90 61.26 3gka n TYR 351 Cb 0.52 0.27 0.10 0.00 -0.63 0.00 0.00 39.34 39.60 3gka n TYR 351 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3gka n THR 352 N -3.21 0.92 -0.58 2.97 -2.24 -0.55 -4.63 114.28 106.95 3gka n THR 352 Ca 0.00 -0.96 0.08 0.00 -2.27 0.00 0.00 64.05 60.90 3gka n THR 352 Cb 0.00 0.55 0.28 0.00 -2.10 0.00 0.00 70.33 69.07 3gka n THR 352 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gka n ASP 353 N 0.20 4.08 -4.63 3.42 5.75 -1.23 -4.87 116.55 119.27 3gka n ASP 353 Ca 0.08 -2.45 -0.42 0.00 -0.01 0.00 0.00 54.79 51.99 3gka n ASP 353 Cb 0.35 -0.48 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 3gka n ASP 353 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3gka s TYR 354 N -1.82 3.23 0.27 2.11 2.02 -1.26 -4.93 117.35 116.96 3gka s TYR 354 Ca 0.42 1.03 -0.30 0.00 -0.37 0.00 0.00 57.07 57.85 3gka s TYR 354 Cb 0.28 -3.29 -0.09 0.00 -0.40 0.00 0.00 41.96 38.45 3gka s TYR 354 CO 0.19 -0.57 1.05 -1.25 -1.57 0.00 0.00 175.55 173.40 3gka s PRO 355 N 3.11 4.71 0.67 -1.71 0.04 -1.26 -4.67 135.00 135.89 3gka s PRO 355 Ca 0.37 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 3gka s PRO 355 Cb -0.14 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3gka s PRO 355 CO 0.11 0.31 1.05 0.00 0.04 0.00 0.00 177.00 178.52 3gka s ALA 356 N -1.16 2.77 0.15 8.56 0.00 -1.26 -4.76 121.76 126.07 3gka s ALA 356 Ca 0.43 0.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 3gka s ALA 356 Cb -0.30 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.69 3gka s ALA 356 CO 0.38 -1.07 1.66 -0.07 0.00 0.00 0.00 175.76 176.66 3gka h LEU 357 N -0.51 -0.51 0.00 0.00 3.38 -1.96 -3.51 115.31 112.19 3gka h LEU 357 Ca -0.44 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3gka h LEU 357 Cb 1.21 0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3gka h LEU 357 CO 0.58 -0.19 0.00 -1.84 0.09 0.00 0.00 178.44 177.07