#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3r s ASN 2 N 0.00 -0.13 -1.17 3.17 2.47 -1.25 -4.94 114.94 113.09 1k3r s ASN 2 Ca 0.00 -0.69 0.00 0.00 0.42 0.00 0.00 52.86 52.59 1k3r s ASN 2 Cb 0.00 0.65 0.00 0.00 -1.45 0.00 0.00 41.25 40.45 1k3r s ASN 2 CO 0.00 -1.24 0.00 0.54 -3.72 0.00 0.00 177.10 172.68 1k3r n ARG 3 N -0.52 -1.37 -3.45 0.43 3.00 -1.26 -4.84 116.66 108.65 1k3r n ARG 3 Ca -0.05 0.65 -0.26 0.00 -0.01 0.00 0.00 57.85 58.17 1k3r n ARG 3 Cb 0.60 -4.90 -0.12 0.00 0.00 0.00 0.00 32.46 28.04 1k3r n ARG 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1k3r s VAL 4 N -2.02 -0.01 0.11 1.55 1.01 -1.26 -4.57 120.40 115.22 1k3r s VAL 4 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 61.98 60.32 1k3r s VAL 4 Cb 0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 1k3r s VAL 4 CO 0.00 -0.85 1.33 -1.81 0.00 0.00 0.00 175.10 173.77 1k3r s ASP 5 N 1.38 6.90 -0.15 3.32 -0.00 -1.14 -4.85 116.67 122.13 1k3r s ASP 5 Ca 0.16 2.26 -0.02 0.00 -0.00 0.00 0.00 52.55 54.95 1k3r s ASP 5 Cb -0.20 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.11 1k3r s ASP 5 CO -0.08 -0.58 -0.09 -0.76 -0.00 0.00 0.00 175.17 173.66 1k3r s LEU 6 N 0.90 2.90 -0.04 1.23 1.43 -1.26 0.93 118.68 124.77 1k3r s LEU 6 Ca 0.62 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1k3r s LEU 6 Cb -0.35 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1k3r s LEU 6 CO 0.31 0.13 -0.18 -0.94 0.23 0.00 0.00 176.35 175.91 1k3r s SER 7 N 0.55 3.75 0.14 2.29 1.04 0.34 -0.12 113.70 121.69 1k3r s SER 7 Ca -0.06 -0.28 0.09 0.00 0.48 0.00 0.00 55.95 56.19 1k3r s SER 7 Cb -0.15 -0.73 -0.04 0.00 0.10 0.00 0.00 66.02 65.20 1k3r s SER 7 CO 0.03 0.33 -0.22 -1.48 0.98 0.00 0.00 173.24 172.89 1k3r s LEU 8 N -0.67 2.36 -0.18 2.42 2.34 -0.57 -0.68 118.68 123.72 1k3r s LEU 8 Ca 0.10 -0.78 -0.00 0.00 0.06 0.00 0.00 54.13 53.51 1k3r s LEU 8 Cb -0.11 -0.97 0.00 0.00 -0.56 0.00 0.00 46.19 44.56 1k3r s LEU 8 CO 0.00 0.06 -0.14 -0.36 -1.06 0.00 0.00 176.35 174.85 1k3r s PHE 9 N -1.48 2.82 0.08 3.48 0.40 0.33 -0.69 117.98 122.91 1k3r s PHE 9 Ca 0.13 -1.20 0.08 0.00 -0.60 0.00 0.00 56.93 55.34 1k3r s PHE 9 Cb -0.08 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1k3r s PHE 9 CO 0.06 -0.59 -0.21 0.96 0.70 0.00 0.00 175.22 176.15 1k3r s ILE 10 N 1.09 1.69 0.31 0.64 -4.36 -0.73 -0.71 121.20 119.13 1k3r s ILE 10 Ca 0.00 -1.38 -0.24 0.00 -0.26 0.00 0.00 60.65 58.76 1k3r s ILE 10 Cb -0.14 -1.51 -0.10 0.00 1.25 0.00 0.00 42.46 41.96 1k3r s ILE 10 CO -0.05 0.06 0.89 -2.16 0.24 0.00 0.00 174.94 173.93 1k3r s PRO 11 N -1.57 4.48 0.00 0.37 0.04 -1.26 -1.96 135.00 135.10 1k3r s PRO 11 Ca 0.07 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.39 1k3r s PRO 11 Cb -0.09 -2.77 0.43 0.00 0.04 0.00 0.00 34.50 32.11 1k3r s PRO 11 CO 0.03 0.28 0.90 -0.40 0.04 0.00 0.00 177.00 177.85 1k3r n ASP 12 N 0.50 0.00 -0.98 6.66 5.75 -0.44 -2.17 116.55 125.88 1k3r n ASP 12 Ca 0.01 -0.79 0.09 0.00 -0.01 0.00 0.00 54.79 54.10 1k3r n ASP 12 Cb 0.51 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.79 1k3r n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1k3r n SER 13 N -0.72 3.24 0.29 -1.12 3.41 -1.26 -2.19 113.62 115.27 1k3r n SER 13 Ca 0.05 -1.93 0.17 0.00 -0.26 0.00 0.00 58.87 56.90 1k3r n SER 13 Cb 0.02 -0.26 0.85 0.00 -0.26 0.00 0.00 64.21 64.57 1k3r n SER 13 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1k3r h LEU 14 N 3.54 0.00 -2.26 1.04 8.10 -1.84 -2.02 115.31 121.88 1k3r h LEU 14 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1k3r h LEU 14 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.08 1k3r h LEU 14 CO 0.00 0.05 0.00 0.35 -4.11 0.00 0.00 178.44 174.73 1k3r n THR 15 N -3.32 0.47 -0.21 0.15 -2.24 -1.26 -4.68 114.28 103.20 1k3r n THR 15 Ca -0.01 -0.73 0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1k3r n THR 15 Cb 0.21 0.99 0.40 0.00 -2.10 0.00 0.00 70.33 69.83 1k3r n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k3r h ALA 16 N 3.86 1.85 -0.24 6.98 0.00 -1.68 -2.91 119.26 127.12 1k3r h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k3r h ALA 16 Cb 0.88 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1k3r h ALA 16 CO 0.00 -0.03 0.00 -0.85 0.00 0.00 0.00 179.25 178.37 1k3r n GLU 17 N -4.51 1.69 -4.22 0.00 -0.00 -1.26 -4.82 120.64 107.51 1k3r n GLU 17 Ca 0.14 -1.06 -0.34 0.00 -0.00 0.00 0.00 57.16 55.91 1k3r n GLU 17 Cb 0.39 -1.31 -0.15 0.00 -0.00 0.00 0.00 31.44 30.37 1k3r n GLU 17 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1k3r s THR 18 N -1.69 2.72 0.02 3.84 -4.23 -1.10 -4.98 115.64 110.23 1k3r s THR 18 Ca 0.26 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 1k3r s THR 18 Cb 0.14 -2.18 -0.28 0.00 1.34 0.00 0.00 72.50 71.51 1k3r s THR 18 CO 0.20 0.49 1.05 1.23 -0.54 0.00 0.00 174.62 177.05 1k3r h GLY 19 N 7.72 0.56 -5.36 3.99 0.00 -1.88 -3.45 103.07 104.65 1k3r h GLY 19 Ca -0.39 -1.17 -0.57 0.00 0.00 0.00 0.00 47.33 45.20 1k3r h GLY 19 CO 0.60 1.03 1.09 1.34 0.00 0.00 0.00 176.54 180.60 1k3r n ASP 20 N -3.98 3.73 -0.07 0.19 2.03 -1.26 -4.88 116.55 112.31 1k3r n ASP 20 Ca -0.13 0.97 -0.15 0.00 0.52 0.00 0.00 54.79 56.00 1k3r n ASP 20 Cb 0.87 -1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 39.76 1k3r n ASP 20 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1k3r h LEU 21 N 8.91 0.98 -0.25 -2.67 5.85 -1.98 -0.58 115.31 125.58 1k3r h LEU 21 Ca -0.48 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 57.70 1k3r h LEU 21 Cb 1.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1k3r h LEU 21 CO 0.94 1.35 0.16 0.50 -0.34 0.00 0.00 178.44 181.05 1k3r h LYS 22 N 0.66 0.33 -0.62 1.25 3.64 -1.95 0.32 116.57 120.20 1k3r h LYS 22 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1k3r h LYS 22 Cb 1.20 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1k3r h LYS 22 CO 0.13 0.24 0.10 0.82 -2.27 0.00 0.00 179.45 178.47 1k3r h ILE 23 N 0.33 1.26 -0.83 2.00 1.08 -1.96 -0.48 117.51 118.91 1k3r h ILE 23 Ca 0.09 -1.01 0.01 0.00 -0.39 0.00 0.00 64.86 63.56 1k3r h ILE 23 Cb -0.02 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 1k3r h ILE 23 CO -0.02 0.37 0.54 0.50 -0.69 0.00 0.00 178.15 178.86 1k3r h LYS 24 N 0.94 1.09 -0.12 2.37 3.64 -0.15 0.26 116.57 124.61 1k3r h LYS 24 Ca 0.19 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.32 1k3r h LYS 24 Cb 0.43 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1k3r h LYS 24 CO 0.01 0.73 -0.69 1.79 -2.27 0.00 0.00 179.45 179.02 1k3r h THR 25 N 1.12 1.35 -0.55 1.00 1.35 -0.10 -2.99 112.91 114.09 1k3r h THR 25 Ca 0.30 -2.03 -0.04 0.00 -0.55 0.00 0.00 66.41 64.10 1k3r h THR 25 Cb -0.12 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.28 1k3r h THR 25 CO -0.06 0.62 0.20 0.22 -0.25 0.00 0.00 175.52 176.24 1k3r h TYR 26 N 0.35 0.81 -0.62 4.73 3.20 -0.17 -1.40 116.97 123.87 1k3r h TYR 26 Ca -0.02 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 1k3r h TYR 26 Cb 1.26 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 1k3r h TYR 26 CO 0.05 0.64 0.25 -0.22 -1.64 0.00 0.00 178.16 177.25 1k3r h LYS 27 N 0.79 0.92 -0.27 1.82 3.64 -0.40 -1.16 116.57 121.91 1k3r h LYS 27 Ca 0.19 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1k3r h LYS 27 Cb 0.19 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1k3r h LYS 27 CO -0.01 0.78 -0.24 0.28 -2.27 0.00 0.00 179.45 177.99 1k3r h VAL 28 N 0.86 1.26 -0.30 2.00 2.07 -1.29 -2.00 116.25 118.85 1k3r h VAL 28 Ca 0.21 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1k3r h VAL 28 Cb 0.20 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1k3r h VAL 28 CO -0.02 0.40 0.10 1.62 0.02 0.00 0.00 177.57 179.69 1k3r h VAL 29 N 0.45 1.13 -0.30 2.57 3.04 -0.63 -1.27 116.25 121.23 1k3r h VAL 29 Ca 0.07 -0.43 -0.09 0.00 -1.01 0.00 0.00 66.70 65.24 1k3r h VAL 29 Cb 0.65 0.79 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 1k3r h VAL 29 CO 0.05 0.16 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.52 1k3r h LEU 30 N 0.43 0.54 -0.70 3.16 3.38 -0.46 -0.53 115.31 121.13 1k3r h LEU 30 Ca 0.11 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1k3r h LEU 30 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1k3r h LEU 30 CO -0.01 0.73 -0.23 0.40 0.09 0.00 0.00 178.44 179.43 1k3r h ILE 31 N 0.50 1.27 -0.91 1.22 2.04 -1.13 -0.76 117.51 119.73 1k3r h ILE 31 Ca 0.08 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 1k3r h ILE 31 Cb 0.59 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1k3r h ILE 31 CO 0.04 0.45 0.55 0.00 0.00 0.00 0.00 178.15 179.19 1k3r h ALA 32 N 1.08 1.16 -0.06 1.87 0.00 -0.52 -1.10 119.26 121.68 1k3r h ALA 32 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1k3r h ALA 32 Cb 0.73 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1k3r h ALA 32 CO 0.06 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.88 1k3r h ARG 33 N 1.25 0.13 -0.88 0.00 2.47 -0.59 -2.37 114.38 114.39 1k3r h ARG 33 Ca 0.33 -0.06 0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1k3r h ARG 33 Cb -0.06 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.20 1k3r h ARG 33 CO -0.06 0.52 0.57 0.00 0.56 0.00 0.00 179.97 181.56 1k3r h ALA 34 N 0.60 1.17 0.12 0.04 0.00 -0.98 0.16 119.26 120.36 1k3r h ALA 34 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k3r h ALA 34 Cb 0.49 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1k3r h ALA 34 CO 0.01 0.40 -0.08 0.00 0.00 0.00 0.00 179.25 179.58 1k3r h ALA 35 N 1.37 -0.18 -0.48 0.00 0.00 -1.18 -2.69 119.26 116.10 1k3r h ALA 35 Ca 0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1k3r h ALA 35 Cb 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1k3r h ALA 35 CO -0.13 -0.61 0.08 0.77 0.00 0.00 0.00 179.25 179.36 1k3r h SER 36 N -0.20 0.76 -0.76 0.00 0.02 -0.95 0.71 113.55 113.14 1k3r h SER 36 Ca -0.01 -0.26 0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1k3r h SER 36 Cb 0.17 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 62.42 1k3r h SER 36 CO 0.00 0.82 0.33 0.40 -1.14 0.00 0.00 176.83 177.24 1k3r h ILE 37 N 0.67 0.69 -0.53 3.27 2.04 -0.62 -0.68 117.51 122.35 1k3r h ILE 37 Ca 0.15 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1k3r h ILE 37 Cb 0.38 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1k3r h ILE 37 CO 0.01 0.09 0.00 0.49 0.00 0.00 0.00 178.15 178.74 1k3r n PHE 38 N -4.97 1.17 -2.74 1.37 3.01 -1.02 -4.94 117.46 109.34 1k3r n PHE 38 Ca 0.14 -0.47 -0.18 0.00 1.01 0.00 0.00 57.45 57.96 1k3r n PHE 38 Cb 0.40 -0.19 0.02 0.00 -0.01 0.00 0.00 39.48 39.70 1k3r n PHE 38 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k3r n GLY 39 N 1.01 -0.29 3.76 1.37 0.00 -0.26 -4.92 105.19 105.85 1k3r n GLY 39 Ca 0.21 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1k3r n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3r s VAL 40 N -3.00 2.51 0.05 1.61 1.01 0.18 -4.71 120.40 118.04 1k3r s VAL 40 Ca 0.18 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 1k3r s VAL 40 Cb -0.08 -3.30 -0.31 0.00 0.00 0.00 0.00 36.38 32.68 1k3r s VAL 40 CO 0.23 0.10 1.04 0.11 0.00 0.00 0.00 175.10 176.58 1k3r h LYS 41 N 4.03 0.37 -3.07 2.72 6.56 -0.79 -3.38 116.57 123.01 1k3r h LYS 41 Ca -0.48 -0.63 -0.05 0.00 -1.06 0.00 0.00 60.65 58.42 1k3r h LYS 41 Cb 1.23 0.24 -0.14 0.00 -0.57 0.00 0.00 32.23 32.98 1k3r h LYS 41 CO 0.71 1.29 0.01 -0.98 -2.06 0.00 0.00 179.45 178.42 1k3r s ARG 42 N -2.63 1.07 -0.21 3.15 1.70 -1.07 -1.64 118.95 119.32 1k3r s ARG 42 Ca -0.07 -0.46 0.01 0.00 -0.47 0.00 0.00 55.73 54.74 1k3r s ARG 42 Cb 0.06 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 34.97 1k3r s ARG 42 CO 0.90 -0.41 -0.11 0.42 -1.08 0.00 0.00 175.30 175.02 1k3r s ILE 43 N -3.16 1.83 -0.26 4.99 1.01 -0.30 -1.51 121.20 123.80 1k3r s ILE 43 Ca -0.01 -1.17 -0.13 0.00 0.00 0.00 0.00 60.65 59.34 1k3r s ILE 43 Cb 0.00 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1k3r s ILE 43 CO -0.07 0.15 0.28 -0.69 0.00 0.00 0.00 174.94 174.61 1k3r s VAL 44 N 1.31 5.25 -0.38 2.92 1.01 0.13 0.19 120.40 130.84 1k3r s VAL 44 Ca -0.03 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 1k3r s VAL 44 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1k3r s VAL 44 CO -0.08 0.23 0.28 -0.63 0.00 0.00 0.00 175.10 174.90 1k3r s ILE 45 N 1.74 5.26 0.26 2.22 1.01 0.83 -1.78 121.20 130.74 1k3r s ILE 45 Ca 0.11 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1k3r s ILE 45 Cb -0.15 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1k3r s ILE 45 CO 0.09 -0.19 0.25 -0.72 0.00 0.00 0.00 174.94 174.38 1k3r s TYR 46 N 1.73 3.18 0.22 3.97 -0.85 -0.83 -3.29 117.35 121.48 1k3r s TYR 46 Ca 0.06 -0.11 -0.19 0.00 -0.52 0.00 0.00 57.07 56.31 1k3r s TYR 46 Cb -0.18 -1.50 -0.08 0.00 0.38 0.00 0.00 41.96 40.58 1k3r s TYR 46 CO 0.10 0.46 0.72 -1.58 -1.52 0.00 0.00 175.55 173.73 1k3r s HIS 47 N -2.11 3.64 0.00 -3.49 5.65 -0.45 -1.32 115.29 117.20 1k3r s HIS 47 Ca 0.34 1.37 0.00 0.00 0.25 0.00 0.00 55.06 57.02 1k3r s HIS 47 Cb -0.08 -2.61 0.00 0.00 -1.18 0.00 0.00 32.58 28.71 1k3r s HIS 47 CO 0.26 0.33 0.00 -0.40 -0.65 0.00 0.00 174.74 174.28 1k3r n ASP 48 N 0.68 0.00 -2.87 9.88 5.75 -1.26 -3.97 116.55 124.76 1k3r n ASP 48 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.64 1k3r n ASP 48 Cb 0.51 0.13 0.09 0.00 -1.03 0.00 0.00 41.12 40.82 1k3r n ASP 48 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1k3r n ASP 49 N -1.75 -0.96 0.00 -1.12 9.92 -1.26 -5.00 116.55 116.38 1k3r n ASP 49 Ca 0.00 -0.91 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 1k3r n ASP 49 Cb 0.00 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 1k3r n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k3r n ALA 50 N -3.62 0.00 -1.56 2.24 0.00 -1.26 -4.78 120.51 111.53 1k3r n ALA 50 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1k3r n ALA 50 Cb 0.24 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1k3r n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k3r n ASP 51 N -0.55 0.00 0.00 0.00 8.00 -1.26 -5.13 116.55 117.61 1k3r n ASP 51 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1k3r n ASP 51 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1k3r n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3r n GLY 52 N 5.00 -0.02 2.40 0.44 0.00 -1.26 -4.85 105.19 106.90 1k3r n GLY 52 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 1k3r n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k3r n GLU 53 N -0.59 1.04 -0.01 1.61 1.02 -0.93 -4.90 120.64 117.87 1k3r n GLU 53 Ca 0.00 -3.27 0.00 0.00 -0.02 0.00 0.00 57.16 53.87 1k3r n GLU 53 Cb 0.00 -1.48 0.31 0.00 -0.02 0.00 0.00 31.44 30.25 1k3r n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k3r h ALA 54 N 2.98 1.41 -0.13 0.62 0.00 -1.97 -1.35 119.26 120.83 1k3r h ALA 54 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1k3r h ALA 54 Cb 1.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1k3r h ALA 54 CO 0.48 0.42 -0.12 -0.09 0.00 0.00 0.00 179.25 179.94 1k3r h ARG 55 N 0.54 0.32 -0.84 0.00 2.43 -1.95 -0.86 114.38 114.02 1k3r h ARG 55 Ca 0.12 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1k3r h ARG 55 Cb 0.26 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1k3r h ARG 55 CO 0.00 0.71 0.46 0.35 -1.51 0.00 0.00 179.97 179.98 1k3r h PHE 56 N -0.06 1.14 -0.58 2.20 3.57 -1.89 0.92 116.94 122.26 1k3r h PHE 56 Ca 0.02 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1k3r h PHE 56 Cb 0.64 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1k3r h PHE 56 CO 0.08 0.79 -0.04 0.82 -2.23 0.00 0.00 178.31 177.73 1k3r h ILE 57 N 1.16 1.27 -0.41 1.41 2.04 -1.24 -1.78 117.51 119.96 1k3r h ILE 57 Ca 0.29 -1.19 -0.13 0.00 1.00 0.00 0.00 64.86 64.83 1k3r h ILE 57 Cb 0.02 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1k3r h ILE 57 CO -0.05 0.43 -0.28 -0.09 0.00 0.00 0.00 178.15 178.16 1k3r h ARG 58 N 0.94 0.87 0.21 2.37 2.43 -0.65 -2.71 114.38 117.84 1k3r h ARG 58 Ca 0.16 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1k3r h ARG 58 Cb 0.60 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1k3r h ARG 58 CO 0.04 1.04 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.99 1k3r h ASP 59 N 0.74 -0.24 -0.30 -3.80 5.19 -0.55 -2.44 116.42 115.03 1k3r h ASP 59 Ca 0.09 -0.20 0.03 0.00 -0.62 0.00 0.00 57.03 56.32 1k3r h ASP 59 Cb 0.83 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 1k3r h ASP 59 CO 0.07 0.08 0.12 0.40 -3.12 0.00 0.00 179.24 176.79 1k3r h ILE 60 N -0.58 0.94 -0.87 0.35 1.08 -1.37 0.20 117.51 117.26 1k3r h ILE 60 Ca -0.03 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1k3r h ILE 60 Cb 0.43 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1k3r h ILE 60 CO 0.05 0.05 0.58 -0.07 -0.69 0.00 0.00 178.15 178.07 1k3r h LEU 61 N 0.26 1.00 -0.08 1.44 3.38 -1.54 -1.72 115.31 118.05 1k3r h LEU 61 Ca 0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1k3r h LEU 61 Cb 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1k3r h LEU 61 CO -0.12 0.73 -0.09 0.74 0.09 0.00 0.00 178.44 179.79 1k3r h THR 62 N 1.18 1.38 -0.87 0.22 2.02 -1.07 -2.02 112.91 113.75 1k3r h THR 62 Ca 0.32 -1.28 0.23 0.00 0.77 0.00 0.00 66.41 66.45 1k3r h THR 62 Cb -0.13 2.06 -0.14 0.00 -1.74 0.00 0.00 68.15 68.20 1k3r h THR 62 CO -0.07 0.36 0.27 0.22 0.37 0.00 0.00 175.52 176.67 1k3r h TYR 63 N -0.24 0.42 -0.01 3.16 3.20 -0.31 0.17 116.97 123.35 1k3r h TYR 63 Ca 0.01 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 1k3r h TYR 63 Cb 0.62 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1k3r h TYR 63 CO 0.10 -0.17 -0.70 0.52 -1.64 0.00 0.00 178.16 176.26 1k3r h MET 64 N 0.25 0.08 0.02 1.82 2.86 -1.16 -3.15 114.93 115.65 1k3r h MET 64 Ca 0.55 -0.07 -0.23 0.00 -2.06 0.00 0.00 59.70 57.90 1k3r h MET 64 Cb 1.09 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1k3r h MET 64 CO -0.62 0.75 -0.97 0.22 1.06 0.00 0.00 176.91 177.34 1k3r h ASP 65 N 0.05 0.45 -2.84 1.22 1.82 -0.35 -3.44 116.42 113.32 1k3r h ASP 65 Ca -0.01 -0.38 -0.53 0.00 -0.39 0.00 0.00 57.03 55.72 1k3r h ASP 65 Cb 1.24 -0.14 0.03 0.00 0.68 0.00 0.00 39.33 41.14 1k3r h ASP 65 CO 0.10 1.19 0.87 -0.89 -1.61 0.00 0.00 179.24 178.90 1k3r s THR 66 N -3.15 3.05 0.64 2.25 2.01 0.42 -4.96 115.64 115.90 1k3r s THR 66 Ca -0.05 0.66 -0.17 0.00 0.31 0.00 0.00 61.69 62.44 1k3r s THR 66 Cb 0.09 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1k3r s THR 66 CO 0.86 0.03 0.88 -2.65 -0.69 0.00 0.00 174.62 173.05 1k3r n PRO 67 N 4.59 0.70 0.28 4.92 -0.02 -1.26 -4.76 135.00 139.44 1k3r n PRO 67 Ca 0.14 0.28 0.16 0.00 -2.02 0.00 0.00 63.50 62.06 1k3r n PRO 67 Cb 0.41 -2.11 0.73 0.00 -0.02 0.00 0.00 33.50 32.51 1k3r n PRO 67 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1k3r h GLN 68 N 0.18 0.00 -0.98 -0.52 -0.00 -1.92 -2.55 115.11 109.33 1k3r h GLN 68 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.16 1k3r h GLN 68 Cb 1.36 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.83 1k3r h GLN 68 CO 0.49 0.05 0.02 2.48 -0.00 0.00 0.00 178.83 181.87 1k3r n TYR 69 N -3.22 0.20 0.00 0.06 0.18 -1.26 -3.76 117.16 109.37 1k3r n TYR 69 Ca -0.00 -0.25 0.00 0.00 1.88 0.00 0.00 57.90 59.53 1k3r n TYR 69 Cb 0.28 -0.19 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 1k3r n TYR 69 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1k3r n LEU 70 N 0.16 0.05 -0.26 -3.48 4.77 -0.97 -4.91 117.00 112.36 1k3r n LEU 70 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1k3r n LEU 70 Cb 0.42 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.68 1k3r n LEU 70 CO 0.04 -0.19 0.54 0.54 -1.33 0.00 0.00 177.39 176.99 1k3r n ARG 71 N -1.94 -0.06 -0.10 3.23 1.74 -1.13 0.16 116.66 118.56 1k3r n ARG 71 Ca 0.00 1.11 0.20 0.00 -0.77 0.00 0.00 57.85 58.39 1k3r n ARG 71 Cb 0.02 -1.72 0.62 0.00 -1.02 0.00 0.00 32.46 30.35 1k3r n ARG 71 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1k3r h ARG 72 N 0.00 0.16 0.00 5.56 1.12 -1.87 0.39 114.38 119.75 1k3r h ARG 72 Ca 0.41 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.27 1k3r h ARG 72 Cb 0.77 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 1k3r h ARG 72 CO -0.71 0.11 -1.43 1.63 -3.11 0.00 0.00 179.97 176.45 1k3r n LYS 73 N -4.41 0.85 0.03 0.20 5.02 0.43 -4.48 118.16 115.81 1k3r n LYS 73 Ca 0.13 -0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.43 1k3r n LYS 73 Cb 0.64 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 34.19 1k3r n LYS 73 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1k3r n VAL 74 N -1.85 0.20 -4.20 -0.18 0.31 -0.26 -4.89 118.33 107.46 1k3r n VAL 74 Ca -0.01 -0.44 -0.33 0.00 -0.01 0.00 0.00 64.34 63.55 1k3r n VAL 74 Cb 0.38 -0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.15 1k3r n VAL 74 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1k3r s PHE 75 N -3.39 2.77 0.72 3.52 0.40 0.07 -5.04 117.98 117.03 1k3r s PHE 75 Ca -0.03 -1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 54.63 1k3r s PHE 75 Cb 0.13 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.77 1k3r s PHE 75 CO 0.85 -0.77 1.07 -2.14 0.70 0.00 0.00 175.22 174.94 1k3r s PRO 76 N 1.22 2.73 -0.20 0.24 0.02 -1.26 -4.79 135.00 132.96 1k3r s PRO 76 Ca 0.03 1.03 -0.28 0.00 0.02 0.00 0.00 61.00 61.79 1k3r s PRO 76 Cb -0.13 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 1k3r s PRO 76 CO -0.11 -1.27 2.17 -1.50 -0.33 0.00 0.00 177.00 175.96 1k3r s ILE 77 N -2.99 3.04 -0.23 2.83 2.07 -1.26 -4.90 121.20 119.76 1k3r s ILE 77 Ca 0.59 0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.89 1k3r s ILE 77 Cb -0.15 -3.05 0.05 0.00 0.13 0.00 0.00 42.46 39.44 1k3r s ILE 77 CO 0.55 -0.03 -0.14 -0.04 -1.91 0.00 0.00 174.94 173.38 1k3r s MET 78 N 6.11 2.45 0.38 3.50 -1.94 -1.26 -4.99 119.30 123.54 1k3r s MET 78 Ca 0.98 -1.14 0.18 0.00 -1.71 0.00 0.00 55.69 54.01 1k3r s MET 78 Cb -0.33 -2.74 1.13 0.00 2.01 0.00 0.00 34.83 34.89 1k3r s MET 78 CO 0.36 -0.44 1.71 0.00 -0.01 0.00 0.00 175.02 176.63 1k3r h ARG 79 N 7.84 0.34 -0.93 2.03 3.08 -2.02 0.37 114.38 125.09 1k3r h ARG 79 Ca -0.28 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 59.86 1k3r h ARG 79 Cb 1.08 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.98 1k3r h ARG 79 CO 0.52 0.22 0.59 1.05 -1.07 0.00 0.00 179.97 181.28 1k3r h GLU 80 N 0.35 0.86 -1.03 0.04 4.11 -1.99 -2.80 114.58 114.11 1k3r h GLU 80 Ca 0.68 -0.05 -0.66 0.00 0.07 0.00 0.00 59.36 59.40 1k3r h GLU 80 Cb 1.72 -0.19 -0.31 0.00 0.50 0.00 0.00 28.75 30.46 1k3r h GLU 80 CO -0.43 0.57 0.58 1.47 0.07 0.00 0.00 179.01 181.27 1k3r n LEU 81 N -4.56 7.19 0.20 3.06 -0.00 0.13 -4.63 117.00 118.38 1k3r n LEU 81 Ca 0.17 -4.42 0.14 0.00 -0.00 0.00 0.00 56.01 51.90 1k3r n LEU 81 Cb 0.35 -0.87 0.54 0.00 -0.00 0.00 0.00 43.42 43.44 1k3r n LEU 81 CO 0.30 1.61 0.92 0.07 -0.00 0.00 0.00 177.39 180.28 1k3r h LYS 82 N 2.11 0.00 -0.52 1.47 2.10 -1.53 -3.05 116.57 117.14 1k3r h LYS 82 Ca 0.56 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 59.05 1k3r h LYS 82 Cb 0.88 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.12 1k3r h LYS 82 CO 1.43 0.00 0.13 0.72 -2.00 0.00 0.00 179.45 179.73 1k3r n HIS 83 N -2.69 1.72 0.31 0.07 8.25 -1.26 -4.49 115.22 117.14 1k3r n HIS 83 Ca 0.02 -1.23 0.19 0.00 -0.26 0.00 0.00 57.72 56.44 1k3r n HIS 83 Cb 0.31 -0.55 1.01 0.00 1.12 0.00 0.00 29.99 31.88 1k3r n HIS 83 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1k3r h VAL 84 N 1.96 0.24 -0.02 1.59 3.04 -1.91 -2.35 116.25 118.81 1k3r h VAL 84 Ca 0.19 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1k3r h VAL 84 Cb 1.94 1.10 -0.00 0.00 -2.01 0.00 0.00 31.29 32.33 1k3r h VAL 84 CO 0.52 0.02 0.01 1.23 -1.01 0.00 0.00 177.57 178.35 1k3r h GLY 85 N 0.33 0.02 -2.35 3.17 0.00 -1.87 -2.30 103.07 100.07 1k3r h GLY 85 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1k3r h GLY 85 CO 0.00 0.01 0.00 0.29 0.00 0.00 0.00 176.54 176.84 1k3r n ILE 86 N -4.54 1.15 -2.34 2.60 -6.64 -0.88 -4.92 119.36 103.80 1k3r n ILE 86 Ca -0.03 -0.85 -0.41 0.00 -1.77 0.00 0.00 62.75 59.69 1k3r n ILE 86 Cb 0.10 0.18 -0.03 0.00 -1.44 0.00 0.00 39.64 38.44 1k3r n ILE 86 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 1k3r s LEU 87 N -1.32 4.46 0.38 7.28 1.43 -0.87 -4.96 118.68 125.08 1k3r s LEU 87 Ca 0.39 2.31 -0.27 0.00 -1.03 0.00 0.00 54.13 55.53 1k3r s LEU 87 Cb 0.23 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 1k3r s LEU 87 CO 0.22 -0.38 1.35 -2.16 0.23 0.00 0.00 176.35 175.61 1k3r s PRO 88 N -0.55 4.11 0.85 1.29 0.04 -1.26 -4.97 135.00 134.51 1k3r s PRO 88 Ca 0.52 2.29 -0.13 0.00 0.04 0.00 0.00 61.00 63.71 1k3r s PRO 88 Cb -0.34 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 31.36 1k3r s PRO 88 CO 0.39 -0.42 0.88 -0.35 0.04 0.00 0.00 177.00 177.54 1k3r n PRO 89 N 0.40 -0.05 -3.62 0.56 -0.04 -1.26 -5.01 135.00 125.98 1k3r n PRO 89 Ca 0.02 0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.24 1k3r n PRO 89 Cb 0.42 -2.18 -0.15 0.00 -0.04 0.00 0.00 33.50 31.55 1k3r n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1k3r s LEU 90 N -3.79 1.32 -0.82 1.53 2.96 -1.26 -5.03 118.68 113.58 1k3r s LEU 90 Ca 0.67 -1.54 -0.18 0.00 -0.22 0.00 0.00 54.13 52.85 1k3r s LEU 90 Cb -0.27 -0.58 0.14 0.00 0.50 0.00 0.00 46.19 45.98 1k3r s LEU 90 CO 0.58 -0.41 0.96 -0.13 -1.32 0.00 0.00 176.35 176.03 1k3r s ARG 91 N 1.77 3.44 0.22 1.98 3.00 -1.26 -4.83 118.95 123.27 1k3r s ARG 91 Ca 0.10 -1.71 0.10 0.00 0.00 0.00 0.00 55.73 54.23 1k3r s ARG 91 Cb -0.17 -4.63 -0.05 0.00 0.00 0.00 0.00 34.95 30.10 1k3r s ARG 91 CO -0.28 -1.65 -0.20 0.95 0.00 0.00 0.00 175.30 174.12 1k3r s THR 92 N 2.37 2.18 0.46 0.02 -4.23 -1.26 -5.02 115.64 110.16 1k3r s THR 92 Ca 0.25 -2.17 0.29 0.00 -1.18 0.00 0.00 61.69 58.88 1k3r s THR 92 Cb -0.11 -2.11 0.49 0.00 1.34 0.00 0.00 72.50 72.11 1k3r s THR 92 CO -0.04 -0.33 1.71 -0.65 -0.54 0.00 0.00 174.62 174.76 1k3r h PRO 93 N 2.79 0.16 -0.34 3.99 0.11 -1.95 0.53 132.00 137.29 1k3r h PRO 93 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1k3r h PRO 93 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1k3r h PRO 93 CO 0.55 0.11 0.00 -2.39 -0.21 0.00 0.00 178.00 176.06 1k3r n HIS 94 N -4.49 0.45 -2.62 0.65 1.44 -1.26 -4.18 115.22 105.20 1k3r n HIS 94 Ca 0.31 -0.23 -0.29 0.00 -2.01 0.00 0.00 57.72 55.50 1k3r n HIS 94 Cb 1.25 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 31.35 1k3r n HIS 94 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1k3r n HIS 95 N 0.60 3.58 -2.27 -1.40 8.25 0.18 -4.65 115.22 119.51 1k3r n HIS 95 Ca 0.14 -3.35 -0.39 0.00 -0.26 0.00 0.00 57.72 53.87 1k3r n HIS 95 Cb 0.34 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1k3r n HIS 95 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1k3r s PRO 96 N -3.63 4.10 -0.01 -0.41 0.02 -1.26 -4.67 135.00 129.15 1k3r s PRO 96 Ca 0.48 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.44 1k3r s PRO 96 Cb 0.34 -2.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.04 1k3r s PRO 96 CO -0.19 -0.29 0.10 0.25 -0.33 0.00 0.00 177.00 176.55 1k3r n THR 97 N 0.19 0.03 -2.87 0.99 -2.24 -1.26 -4.94 114.28 104.19 1k3r n THR 97 Ca 0.04 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1k3r n THR 97 Cb 0.46 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 1k3r n THR 97 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k3r s GLY 98 N -2.70 2.80 0.13 3.38 0.00 -1.26 -4.99 107.32 104.69 1k3r s GLY 98 Ca -0.02 0.36 -0.12 0.00 0.00 0.00 0.00 44.72 44.94 1k3r s GLY 98 CO 0.21 1.42 0.17 1.17 0.00 0.00 0.00 173.10 176.08 1k3r n LYS 99 N 3.67 0.00 -1.66 2.90 4.81 -1.26 -4.77 118.16 121.85 1k3r n LYS 99 Ca 0.02 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 56.99 1k3r n LYS 99 Cb 0.51 -0.48 -0.05 0.00 0.02 0.00 0.00 35.03 35.04 1k3r n LYS 99 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1k3r n PRO 100 N 0.53 1.96 -4.49 1.64 -0.04 -1.26 -5.00 135.00 128.34 1k3r n PRO 100 Ca 0.07 0.71 -0.23 0.00 -0.04 0.00 0.00 63.50 64.01 1k3r n PRO 100 Cb 0.14 -2.46 -0.11 0.00 -0.04 0.00 0.00 33.50 31.04 1k3r n PRO 100 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1k3r s VAL 101 N 1.14 1.62 0.24 0.52 -7.23 -1.26 -5.02 120.40 110.42 1k3r s VAL 101 Ca 0.81 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1k3r s VAL 101 Cb -0.74 -2.71 -0.10 0.00 0.56 0.00 0.00 36.38 33.39 1k3r s VAL 101 CO 0.41 -0.12 1.49 -0.89 -0.31 0.00 0.00 175.10 175.67 1k3r s THR 102 N -3.00 2.56 0.00 5.32 2.01 -1.26 -3.16 115.64 118.10 1k3r s THR 102 Ca 0.33 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.79 1k3r s THR 102 Cb 0.07 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1k3r s THR 102 CO 0.15 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1k3r n GLY 103 N 2.44 0.68 3.86 4.40 0.00 0.18 -5.00 105.19 111.76 1k3r n GLY 103 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1k3r n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k3r s GLU 104 N -0.36 3.91 -0.01 1.61 2.12 -1.19 -4.80 118.70 119.98 1k3r s GLU 104 Ca 0.00 0.49 -0.11 0.00 0.36 0.00 0.00 54.97 55.71 1k3r s GLU 104 Cb 0.00 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.82 1k3r s GLU 104 CO 0.00 0.21 0.33 0.71 -0.54 0.00 0.00 175.26 175.97 1k3r s TYR 105 N -1.93 3.65 -0.08 5.30 1.51 -1.26 -1.43 117.35 123.10 1k3r s TYR 105 Ca 0.51 0.79 -0.08 0.00 -1.01 0.00 0.00 57.07 57.28 1k3r s TYR 105 Cb -0.11 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1k3r s TYR 105 CO 0.20 0.64 0.23 1.03 -1.11 0.00 0.00 175.55 176.53 1k3r s ARG 106 N -1.33 0.29 0.23 -0.62 0.52 -0.45 -4.93 118.95 112.66 1k3r s ARG 106 Ca 0.24 0.28 -0.26 0.00 -0.52 0.00 0.00 55.73 55.48 1k3r s ARG 106 Cb -0.15 0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.38 1k3r s ARG 106 CO 0.13 -0.04 0.84 -0.65 0.02 0.00 0.00 175.30 175.60 1k3r s GLN 107 N 0.03 4.59 0.03 3.54 -0.21 -1.26 -1.63 119.66 124.74 1k3r s GLN 107 Ca -0.01 1.22 0.04 0.00 0.02 0.00 0.00 55.36 56.63 1k3r s GLN 107 Cb -0.02 -3.10 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 1k3r s GLN 107 CO 0.00 0.47 -0.12 0.20 -2.12 0.00 0.00 175.29 173.73 1k3r s GLY 108 N -1.34 0.65 -0.16 3.09 0.00 0.25 -4.74 107.32 105.06 1k3r s GLY 108 Ca 0.41 -0.70 -0.17 0.00 0.00 0.00 0.00 44.72 44.26 1k3r s GLY 108 CO 0.26 -0.68 0.46 -2.27 0.00 0.00 0.00 173.10 170.87 1k3r s LEU 109 N -0.98 4.21 0.08 0.66 2.96 -1.08 -1.53 118.68 123.00 1k3r s LEU 109 Ca 0.00 0.69 -0.30 0.00 -0.22 0.00 0.00 54.13 54.30 1k3r s LEU 109 Cb -0.07 -2.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 1k3r s LEU 109 CO 0.01 -0.06 1.09 -0.89 -1.32 0.00 0.00 176.35 175.18 1k3r s THR 110 N 1.02 4.27 -0.14 3.68 2.01 -0.53 0.39 115.64 126.34 1k3r s THR 110 Ca 0.23 1.73 -0.11 0.00 0.31 0.00 0.00 61.69 63.86 1k3r s THR 110 Cb -0.15 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 1k3r s THR 110 CO 0.09 0.19 -0.24 0.52 -0.69 0.00 0.00 174.62 174.49 1k3r n VAL 111 N 3.38 1.20 -3.74 3.82 0.31 -0.59 -0.36 118.33 122.34 1k3r n VAL 111 Ca 0.06 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 1k3r n VAL 111 Cb 0.48 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.40 1k3r n VAL 111 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1k3r s LYS 112 N -2.46 0.51 -0.45 5.55 -2.85 -1.22 -4.51 119.74 114.31 1k3r s LYS 112 Ca -0.23 0.33 -0.28 0.00 -1.00 0.00 0.00 55.97 54.79 1k3r s LYS 112 Cb 0.07 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 36.11 1k3r s LYS 112 CO 0.31 -0.09 1.09 1.03 0.10 0.00 0.00 175.35 177.79 1k3r s ARG 113 N -0.23 3.75 0.25 1.78 0.52 -1.26 -1.75 118.95 122.02 1k3r s ARG 113 Ca -0.04 0.58 0.05 0.00 -0.52 0.00 0.00 55.73 55.81 1k3r s ARG 113 Cb -0.03 -3.88 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 1k3r s ARG 113 CO 0.02 -1.26 0.36 0.54 0.02 0.00 0.00 175.30 174.97 1k3r s VAL 114 N 4.18 5.04 0.29 3.52 0.11 0.30 -4.93 120.40 128.92 1k3r s VAL 114 Ca 0.45 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1k3r s VAL 114 Cb -0.09 -3.76 0.41 0.00 -1.53 0.00 0.00 36.38 31.41 1k3r s VAL 114 CO 0.28 -0.31 1.58 0.07 -3.33 0.00 0.00 175.10 173.38 1k3r h LYS 115 N 1.16 0.02 0.11 1.54 2.10 -2.00 0.19 116.57 119.68 1k3r h LYS 115 Ca -0.51 -0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 57.87 1k3r h LYS 115 Cb 1.23 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1k3r h LYS 115 CO 0.60 0.01 -1.19 -0.22 -2.00 0.00 0.00 179.45 176.65 1k3r h LYS 116 N 0.02 0.36 0.00 0.07 3.64 -1.94 -3.49 116.57 115.22 1k3r h LYS 116 Ca 0.55 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1k3r h LYS 116 Cb 1.06 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1k3r h LYS 116 CO -0.92 1.23 0.00 0.41 -2.27 0.00 0.00 179.45 177.90 1k3r n GLY 117 N 1.39 -1.38 3.24 5.01 0.00 0.65 -4.85 105.19 109.25 1k3r n GLY 117 Ca -0.09 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.54 1k3r n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k3r s THR 118 N 1.44 -0.01 -0.26 2.61 2.01 -1.04 0.11 115.64 120.51 1k3r s THR 118 Ca 0.00 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.87 1k3r s THR 118 Cb 0.00 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1k3r s THR 118 CO 0.00 0.01 0.40 -0.76 -0.69 0.00 0.00 174.62 173.58 1k3r s LEU 119 N 0.52 4.06 0.03 4.42 1.43 -0.72 -0.86 118.68 127.56 1k3r s LEU 119 Ca -0.03 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1k3r s LEU 119 Cb -0.04 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1k3r s LEU 119 CO -0.03 -0.18 -0.04 0.68 0.23 0.00 0.00 176.35 177.01 1k3r s VAL 120 N 1.96 3.78 -0.59 -1.59 -7.23 -0.61 -1.55 120.40 114.58 1k3r s VAL 120 Ca 0.17 -0.85 -0.21 0.00 -1.81 0.00 0.00 61.98 59.28 1k3r s VAL 120 Cb -0.16 -2.70 0.07 0.00 0.56 0.00 0.00 36.38 34.16 1k3r s VAL 120 CO 0.09 0.30 0.80 -0.62 -0.31 0.00 0.00 175.10 175.36 1k3r s ASP 121 N -1.74 6.21 0.00 4.85 -1.08 0.16 -3.15 116.67 121.93 1k3r s ASP 121 Ca 0.20 -1.02 0.00 0.00 -0.52 0.00 0.00 52.55 51.20 1k3r s ASP 121 Cb -0.11 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1k3r s ASP 121 CO 0.11 -1.18 0.00 0.00 0.52 0.00 0.00 175.17 174.62 1k3r n ILE 122 N 5.77 0.00 0.00 4.11 0.13 -1.26 -2.64 119.36 125.47 1k3r n ILE 122 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.60 1k3r n ILE 122 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.25 1k3r n ILE 122 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1k3r n GLY 123 N 5.00 -0.87 0.00 4.50 0.00 -1.26 -4.80 105.19 107.76 1k3r n GLY 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k3r n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3r n ALA 124 N -3.00 0.00 -1.06 4.61 0.00 -1.26 -4.95 120.51 114.85 1k3r n ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1k3r n ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1k3r n ALA 124 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k3r n ASP 125 N 0.00 0.00 -4.78 0.00 8.00 -1.26 -5.06 116.55 113.45 1k3r n ASP 125 Ca 0.00 -0.34 -0.36 0.00 0.71 0.00 0.00 54.79 54.80 1k3r n ASP 125 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1k3r n ASP 125 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1k3r s LYS 126 N -0.92 3.67 0.00 -1.24 2.36 -1.26 -4.18 119.74 118.17 1k3r s LYS 126 Ca 0.00 -0.22 0.00 0.00 -2.55 0.00 0.00 55.97 53.20 1k3r s LYS 126 Cb 0.00 -3.21 0.00 0.00 -1.05 0.00 0.00 37.83 33.57 1k3r s LYS 126 CO 0.00 0.57 0.00 1.47 1.55 0.00 0.00 175.35 178.94 1k3r n LEU 127 N 2.63 0.00 -3.58 5.43 -0.00 -1.19 -4.74 117.00 115.55 1k3r n LEU 127 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.72 1k3r n LEU 127 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.91 1k3r n LEU 127 CO 0.33 0.00 0.22 0.00 -0.00 0.00 0.00 177.39 177.94 1k3r s ALA 128 N -2.00 -1.11 0.36 1.47 0.00 -1.07 -1.58 121.76 117.83 1k3r s ALA 128 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1k3r s ALA 128 Cb 0.00 0.69 -0.06 0.00 0.00 0.00 0.00 23.12 23.76 1k3r s ALA 128 CO 0.00 -0.65 0.05 -1.17 0.00 0.00 0.00 175.76 173.99 1k3r s LEU 129 N -2.68 3.01 -0.06 0.00 2.96 -0.04 -2.73 118.68 119.15 1k3r s LEU 129 Ca 0.01 -1.04 -0.05 0.00 -0.22 0.00 0.00 54.13 52.83 1k3r s LEU 129 Cb 0.01 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 1k3r s LEU 129 CO -0.11 -0.33 0.26 0.00 -1.32 0.00 0.00 176.35 174.85 1k3r n ARG 131 N -4.33 0.00 -0.13 0.00 3.00 -1.26 -3.42 116.66 110.52 1k3r n ARG 131 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.56 1k3r n ARG 131 Cb 0.08 -0.58 -0.10 0.00 0.00 0.00 0.00 32.46 31.86 1k3r n ARG 131 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1k3r n GLU 132 N 0.58 0.56 -0.18 -0.14 0.00 -1.26 -3.06 120.64 117.15 1k3r n GLU 132 Ca 0.09 0.23 0.28 0.00 0.00 0.00 0.00 57.16 57.76 1k3r n GLU 132 Cb 0.08 -1.44 0.57 0.00 0.00 0.00 0.00 31.44 30.65 1k3r n GLU 132 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1k3r h LYS 133 N -0.80 0.00 -4.95 3.44 1.79 -1.92 -3.41 116.57 110.72 1k3r h LYS 133 Ca -0.65 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.31 1k3r h LYS 133 Cb 1.62 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 32.19 1k3r h LYS 133 CO -0.36 0.00 1.66 1.28 -1.08 0.00 0.00 179.45 180.95 1k3r n LEU 134 N -3.46 0.33 -4.69 2.94 4.32 -1.26 -4.80 117.00 110.38 1k3r n LEU 134 Ca 0.21 0.23 -0.42 0.00 -0.02 0.00 0.00 56.01 56.01 1k3r n LEU 134 Cb 1.32 -0.89 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1k3r n LEU 134 CO 0.27 -0.70 0.86 0.41 -1.22 0.00 0.00 177.39 177.00 1k3r n THR 135 N 7.16 2.30 -2.03 -5.08 -1.04 -1.26 -4.87 114.28 109.47 1k3r n THR 135 Ca 0.63 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.84 1k3r n THR 135 Cb 0.02 -1.52 0.03 0.00 -1.82 0.00 0.00 70.33 67.05 1k3r n THR 135 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1k3r s VAL 136 N -1.16 3.87 -1.30 12.58 -7.23 -1.26 -4.26 120.40 121.63 1k3r s VAL 136 Ca 0.59 0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 61.18 1k3r s VAL 136 Cb -0.54 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 32.83 1k3r s VAL 136 CO 0.60 -0.72 0.96 -3.20 -0.31 0.00 0.00 175.10 172.42 1k3r n ASN 137 N -2.82 -3.05 -3.79 4.85 5.15 0.51 -4.96 115.26 111.14 1k3r n ASN 137 Ca 0.06 -0.68 -0.13 0.00 -0.60 0.00 0.00 54.58 53.24 1k3r n ASN 137 Cb 0.56 -4.67 -0.12 0.00 -0.53 0.00 0.00 39.78 35.02 1k3r n ASN 137 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1k3r s ARG 138 N -5.88 0.28 -0.05 1.20 0.52 -1.25 -4.93 118.95 108.85 1k3r s ARG 138 Ca 0.20 0.33 -0.19 0.00 -0.52 0.00 0.00 55.73 55.56 1k3r s ARG 138 Cb -0.09 0.13 -0.05 0.00 0.52 0.00 0.00 34.95 35.46 1k3r s ARG 138 CO 0.76 -0.04 0.53 0.42 0.02 0.00 0.00 175.30 177.00 1k3r s ILE 139 N 0.14 5.03 0.25 1.52 1.01 -1.26 -1.46 121.20 126.43 1k3r s ILE 139 Ca -0.00 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.61 1k3r s ILE 139 Cb -0.02 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1k3r s ILE 139 CO 0.00 0.40 0.47 0.00 0.00 0.00 0.00 174.94 175.82 1k3r s MET 140 N -0.00 1.55 0.15 2.79 0.23 -0.59 -4.97 119.30 118.46 1k3r s MET 140 Ca 0.28 -1.27 -0.01 0.00 -1.03 0.00 0.00 55.69 53.66 1k3r s MET 140 Cb -0.17 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 1k3r s MET 140 CO 0.14 -0.64 0.34 -1.54 -2.03 0.00 0.00 175.02 171.29 1k3r s SER 141 N -3.03 6.40 0.22 -1.18 1.04 -1.26 0.84 113.70 116.74 1k3r s SER 141 Ca 0.23 0.38 -0.09 0.00 0.48 0.00 0.00 55.95 56.95 1k3r s SER 141 Cb -0.00 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 64.10 1k3r s SER 141 CO 0.09 0.03 0.36 -0.36 0.98 0.00 0.00 173.24 174.34 1k3r s PHE 142 N -1.73 0.59 -0.10 5.02 0.40 -0.64 -1.54 117.98 119.97 1k3r s PHE 142 Ca 0.38 -0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1k3r s PHE 142 Cb -0.12 -0.05 0.03 0.00 0.51 0.00 0.00 43.02 43.39 1k3r s PHE 142 CO 0.28 -0.86 -0.04 -0.98 0.70 0.00 0.00 175.22 174.31 1k3r s ARG 143 N -4.05 1.13 -0.01 0.44 1.70 -0.58 -1.34 118.95 116.24 1k3r s ARG 143 Ca 0.26 -0.10 -0.35 0.00 -0.47 0.00 0.00 55.73 55.08 1k3r s ARG 143 Cb 0.02 -1.32 -0.13 0.00 -0.57 0.00 0.00 34.95 32.95 1k3r s ARG 143 CO 0.09 -0.28 1.74 0.28 -1.08 0.00 0.00 175.30 176.05 1k3r n VAL 144 N 5.03 0.34 -0.11 4.99 0.31 -0.52 -3.01 118.33 125.36 1k3r n VAL 144 Ca -0.10 -0.06 -0.17 0.00 -0.01 0.00 0.00 64.34 63.99 1k3r n VAL 144 Cb 0.50 -1.65 -0.09 0.00 -0.91 0.00 0.00 33.84 31.69 1k3r n VAL 144 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1k3r n VAL 145 N 4.39 1.20 -3.73 2.52 0.31 -0.57 0.52 118.33 122.97 1k3r n VAL 145 Ca 0.21 -0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 63.99 1k3r n VAL 145 Cb 0.27 -1.42 -0.14 0.00 -0.91 0.00 0.00 33.84 31.64 1k3r n VAL 145 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1k3r s ARG 146 N -2.41 0.12 0.00 5.55 0.52 -1.13 -4.62 118.95 116.98 1k3r s ARG 146 Ca -0.29 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1k3r s ARG 146 Cb 0.09 -0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.39 1k3r s ARG 146 CO 0.45 -0.18 0.00 1.28 0.02 0.00 0.00 175.30 176.87 1k3r n LEU 147 N 4.36 0.00 0.00 2.53 4.77 -1.26 -0.98 117.00 126.43 1k3r n LEU 147 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1k3r n LEU 147 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1k3r n LEU 147 CO 0.15 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1k3r n GLY 148 N 5.00 0.47 0.11 -0.72 0.00 -1.26 -4.35 105.19 104.45 1k3r n GLY 148 Ca 0.00 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 1k3r n GLY 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k3r n LYS 149 N 0.00 0.57 -3.25 1.61 4.81 -1.26 -4.52 118.16 116.12 1k3r n LYS 149 Ca 0.00 0.51 -0.39 0.00 -0.87 0.00 0.00 58.31 57.56 1k3r n LYS 149 Cb 0.00 -1.69 -0.02 0.00 0.02 0.00 0.00 35.03 33.34 1k3r n LYS 149 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1k3r n GLU 150 N -4.40 3.64 -1.89 1.64 4.07 -1.26 -4.88 120.64 117.56 1k3r n GLU 150 Ca -0.37 -4.55 -0.41 0.00 -0.06 0.00 0.00 57.16 51.77 1k3r n GLU 150 Cb 0.72 -2.45 -0.02 0.00 -0.06 0.00 0.00 31.44 29.63 1k3r n GLU 150 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1k3r s ILE 151 N -2.24 2.35 -0.09 6.31 2.07 -1.26 -4.89 121.20 123.45 1k3r s ILE 151 Ca 0.32 0.29 -0.00 0.00 -1.41 0.00 0.00 60.65 59.85 1k3r s ILE 151 Cb 0.02 -3.19 -0.03 0.00 0.13 0.00 0.00 42.46 39.39 1k3r s ILE 151 CO 0.01 0.05 -0.07 -1.48 -1.91 0.00 0.00 174.94 171.54 1k3r s LEU 152 N -0.56 3.16 0.02 8.50 0.05 -0.15 -2.60 118.68 127.10 1k3r s LEU 152 Ca 0.61 -0.06 0.03 0.00 0.05 0.00 0.00 54.13 54.76 1k3r s LEU 152 Cb -0.45 -1.70 -0.02 0.00 -2.05 0.00 0.00 46.19 41.97 1k3r s LEU 152 CO 0.47 0.32 -0.10 0.27 -0.55 0.00 0.00 176.35 176.76 1k3r s ILE 153 N -0.54 0.77 -0.09 1.48 -4.36 -1.10 -1.51 121.20 115.84 1k3r s ILE 153 Ca 0.08 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.70 1k3r s ILE 153 Cb -0.12 -0.72 -0.03 0.00 1.25 0.00 0.00 42.46 42.85 1k3r s ILE 153 CO 0.02 -0.04 -0.09 -0.70 0.24 0.00 0.00 174.94 174.37 1k3r s GLU 154 N -0.91 2.95 0.09 0.37 2.12 -1.16 -4.29 118.70 117.86 1k3r s GLU 154 Ca -0.01 -0.59 -0.33 0.00 0.36 0.00 0.00 54.97 54.40 1k3r s GLU 154 Cb -0.07 -2.61 -0.12 0.00 0.26 0.00 0.00 34.13 31.59 1k3r s GLU 154 CO 0.00 0.52 1.73 -0.35 -0.54 0.00 0.00 175.26 176.63 1k3r n PRO 155 N 2.65 2.35 0.00 4.30 -0.04 -1.26 -1.52 135.00 141.47 1k3r n PRO 155 Ca -0.18 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1k3r n PRO 155 Cb 0.53 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1k3r n PRO 155 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1k3r n ASP 156 N 4.90 0.00 -4.34 3.54 4.64 -0.59 -4.87 116.55 119.83 1k3r n ASP 156 Ca 0.19 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.28 1k3r n ASP 156 Cb 0.31 0.00 -0.15 0.00 -1.04 0.00 0.00 41.12 40.24 1k3r n ASP 156 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 1k3r s GLU 157 N -0.04 2.82 1.04 -0.67 -1.05 -1.26 -2.77 118.70 116.77 1k3r s GLU 157 Ca 0.00 -0.79 -0.12 0.00 -0.15 0.00 0.00 54.97 53.91 1k3r s GLU 157 Cb 0.00 -2.36 0.22 0.00 -0.44 0.00 0.00 34.13 31.55 1k3r s GLU 157 CO 0.00 0.38 1.07 -1.25 0.95 0.00 0.00 175.26 176.41 1k3r s PRO 158 N -0.11 0.04 -0.00 -4.83 0.04 -1.26 -4.97 135.00 123.90 1k3r s PRO 158 Ca -0.03 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.04 1k3r s PRO 158 Cb -0.14 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.76 1k3r s PRO 158 CO 0.04 -3.13 0.85 -0.85 0.04 0.00 0.00 177.00 173.95 1k3r n GLU 159 N -4.53 0.07 -0.01 4.56 0.00 -1.26 -4.76 120.64 114.72 1k3r n GLU 159 Ca 0.06 -0.89 0.07 0.00 0.00 0.00 0.00 57.16 56.39 1k3r n GLU 159 Cb 0.54 -0.53 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 1k3r n GLU 159 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1k3r n ASP 160 N -0.04 1.93 -4.33 -1.84 5.75 -1.26 -5.02 116.55 111.73 1k3r n ASP 160 Ca 0.00 -0.03 -0.17 0.00 -0.01 0.00 0.00 54.79 54.58 1k3r n ASP 160 Cb 0.63 1.58 -0.10 0.00 -1.03 0.00 0.00 41.12 42.20 1k3r n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k3r s ARG 161 N -2.89 1.30 0.41 0.11 1.70 -1.26 -5.13 118.95 113.19 1k3r s ARG 161 Ca -0.04 -1.61 -0.25 0.00 -0.47 0.00 0.00 55.73 53.36 1k3r s ARG 161 Cb 0.08 -0.86 -0.08 0.00 -0.57 0.00 0.00 34.95 33.52 1k3r s ARG 161 CO 0.55 0.06 1.22 -0.47 -1.08 0.00 0.00 175.30 175.58 1k3r s TYR 162 N -3.19 2.93 -0.23 5.89 5.04 -1.26 -4.95 117.35 121.58 1k3r s TYR 162 Ca 0.24 1.50 0.18 0.00 -2.44 0.00 0.00 57.07 56.54 1k3r s TYR 162 Cb 0.03 -3.50 0.48 0.00 0.35 0.00 0.00 41.96 39.31 1k3r s TYR 162 CO 0.06 -1.66 1.15 1.87 -1.34 0.00 0.00 175.55 175.63 1k3r n TRP 163 N -0.01 1.44 -4.28 4.97 -0.00 -1.26 -4.32 117.44 113.98 1k3r n TRP 163 Ca 0.05 -1.91 0.00 0.00 -0.00 0.00 0.00 57.50 55.64 1k3r n TRP 163 Cb 0.46 -0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.51 1k3r n TRP 163 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1k3r n GLY 164 N -0.53 -1.61 3.26 5.87 0.00 -1.26 -4.92 105.19 106.01 1k3r n GLY 164 Ca 0.18 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1k3r n GLY 164 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k3r s TYR 165 N 0.00 1.30 0.00 1.61 -0.85 -1.26 -4.66 117.35 113.50 1k3r s TYR 165 Ca 0.00 -1.05 0.04 0.00 -0.52 0.00 0.00 57.07 55.53 1k3r s TYR 165 Cb 0.00 -0.75 -0.03 0.00 0.38 0.00 0.00 41.96 41.56 1k3r s TYR 165 CO 0.00 -0.23 -0.09 -1.83 -1.52 0.00 0.00 175.55 171.87 1k3r s GLU 166 N -3.94 2.48 -0.23 -3.49 -1.05 -0.65 -4.95 118.70 106.85 1k3r s GLU 166 Ca 0.28 -0.76 -0.12 0.00 -0.15 0.00 0.00 54.97 54.22 1k3r s GLU 166 Cb 0.06 -2.44 -0.05 0.00 -0.44 0.00 0.00 34.13 31.26 1k3r s GLU 166 CO 0.07 0.60 0.21 0.08 0.95 0.00 0.00 175.26 177.16 1k3r s VAL 167 N -0.95 5.33 -0.35 1.83 1.01 -1.26 -1.15 120.40 124.86 1k3r s VAL 167 Ca 0.16 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 1k3r s VAL 167 Cb -0.11 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.79 1k3r s VAL 167 CO 0.06 0.33 0.12 -0.76 0.00 0.00 0.00 175.10 174.85 1k3r s LEU 168 N 1.12 4.50 -1.21 3.92 1.43 0.13 -4.96 118.68 123.61 1k3r s LEU 168 Ca 0.10 -1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 51.77 1k3r s LEU 168 Cb -0.14 -1.84 0.20 0.00 0.03 0.00 0.00 46.19 44.45 1k3r s LEU 168 CO 0.05 -0.38 2.06 -0.67 0.23 0.00 0.00 176.35 177.65 1k3r n ASP 169 N 4.74 7.29 -4.67 2.29 4.64 -1.26 -0.12 116.55 129.47 1k3r n ASP 169 Ca -0.10 -3.33 -0.43 0.00 -1.38 0.00 0.00 54.79 49.55 1k3r n ASP 169 Cb 0.43 -1.31 -0.03 0.00 -1.04 0.00 0.00 41.12 39.17 1k3r n ASP 169 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1k3r n THR 170 N 1.37 0.70 0.72 5.18 -2.24 -1.21 -4.78 114.28 114.03 1k3r n THR 170 Ca 0.51 -0.13 0.01 0.00 -2.27 0.00 0.00 64.05 62.18 1k3r n THR 170 Cb 0.27 -2.23 0.07 0.00 -2.10 0.00 0.00 70.33 66.35 1k3r n THR 170 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1k3r n ARG 171 N 7.21 1.67 -2.98 -0.78 5.12 -1.26 -4.37 116.66 121.27 1k3r n ARG 171 Ca 0.20 -0.55 -0.18 0.00 -1.93 0.00 0.00 57.85 55.40 1k3r n ARG 171 Cb 0.39 -1.60 0.02 0.00 -1.16 0.00 0.00 32.46 30.10 1k3r n ARG 171 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1k3r s ARG 172 N -1.34 2.75 0.61 5.56 3.00 -1.26 -4.71 118.95 123.56 1k3r s ARG 172 Ca 0.10 -1.23 -0.09 0.00 0.00 0.00 0.00 55.73 54.51 1k3r s ARG 172 Cb 0.07 -2.72 0.14 0.00 0.00 0.00 0.00 34.95 32.44 1k3r s ARG 172 CO 0.03 -0.37 0.83 0.27 0.00 0.00 0.00 175.30 176.06 1k3r n ASN 173 N -1.94 0.26 0.00 0.23 0.23 -1.26 -1.35 115.26 111.43 1k3r n ASN 173 Ca 0.09 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 1k3r n ASN 173 Cb 0.59 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1k3r n ASN 173 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1k3r n LEU 174 N 0.00 0.00 0.13 -4.53 -0.00 -1.25 0.13 117.00 111.47 1k3r n LEU 174 Ca 0.11 1.00 -0.14 0.00 -0.00 0.00 0.00 56.01 56.98 1k3r n LEU 174 Cb 0.39 -0.50 -0.07 0.00 -0.00 0.00 0.00 43.42 43.24 1k3r n LEU 174 CO 0.28 -0.50 0.61 0.00 -0.00 0.00 0.00 177.39 177.78 1k3r h ALA 175 N -1.16 -0.69 -0.02 1.96 0.00 -1.96 -0.74 119.26 116.66 1k3r h ALA 175 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1k3r h ALA 175 Cb 0.00 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1k3r h ALA 175 CO 0.00 -0.95 0.03 1.49 0.00 0.00 0.00 179.25 179.82 1k3r h GLU 176 N -0.63 0.00 0.00 0.00 4.57 -1.88 -1.47 114.58 115.17 1k3r h GLU 176 Ca 0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 1k3r h GLU 176 Cb 0.65 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1k3r h GLU 176 CO -0.21 0.00 -0.64 0.77 -1.18 0.00 0.00 179.01 177.75 1k3r h SER 177 N 0.00 0.00 -0.04 1.04 0.02 0.24 -2.91 113.55 111.90 1k3r h SER 177 Ca 0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1k3r h SER 177 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1k3r h SER 177 CO -0.00 0.64 -0.45 -0.07 -1.14 0.00 0.00 176.83 175.81 1k3r h LEU 178 N 0.00 0.63 -0.42 5.07 -0.00 -0.11 -2.92 115.31 117.55 1k3r h LEU 178 Ca -0.01 -0.30 -0.07 0.00 -0.00 0.00 0.00 57.88 57.50 1k3r h LEU 178 Cb 1.46 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 1k3r h LEU 178 CO 0.08 0.99 -0.02 0.50 -0.00 0.00 0.00 178.44 179.99 1k3r h LYS 179 N 0.47 0.76 -0.85 1.13 3.11 -1.48 -3.12 116.57 116.59 1k3r h LYS 179 Ca 0.03 -0.25 0.03 0.00 -2.81 0.00 0.00 60.65 57.65 1k3r h LYS 179 Cb 0.97 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 32.08 1k3r h LYS 179 CO 0.09 0.85 0.55 1.15 -2.81 0.00 0.00 179.45 179.27 1k3r h THR 180 N 0.59 1.15 -3.46 1.00 2.02 -1.47 -3.39 112.91 109.36 1k3r h THR 180 Ca 0.12 -0.37 -0.57 0.00 0.77 0.00 0.00 66.41 66.36 1k3r h THR 180 Cb 0.52 -0.02 -0.38 0.00 -1.74 0.00 0.00 68.15 66.52 1k3r h THR 180 CO 0.03 0.20 -0.78 0.54 0.37 0.00 0.00 175.52 175.87 1k3r s VAL 181 N -6.10 1.17 0.23 3.16 0.11 -1.11 -5.12 120.40 112.73 1k3r s VAL 181 Ca -0.13 -0.89 -0.03 0.00 -2.93 0.00 0.00 61.98 58.00 1k3r s VAL 181 Cb 0.17 -1.46 -0.05 0.00 -1.53 0.00 0.00 36.38 33.51 1k3r s VAL 181 CO 0.79 -0.05 0.46 -0.83 -3.33 0.00 0.00 175.10 172.14 1k3r s GLY 182 N 1.57 1.89 0.04 6.54 0.00 -1.25 -4.66 107.32 111.46 1k3r s GLY 182 Ca -0.03 -0.67 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 1k3r s GLY 182 CO -0.07 -0.59 0.14 0.00 0.00 0.00 0.00 173.10 172.57 1k3r s ALA 183 N -1.93 -0.19 -1.40 3.20 0.00 -1.26 -5.03 121.76 115.15 1k3r s ALA 183 Ca 0.41 -0.43 0.29 0.00 0.00 0.00 0.00 51.96 52.23 1k3r s ALA 183 Cb -0.11 0.26 1.31 0.00 0.00 0.00 0.00 23.12 24.58 1k3r s ALA 183 CO 0.29 -0.33 1.93 -0.40 0.00 0.00 0.00 175.76 177.24 1k3r n ASP 184 N 0.75 0.19 -3.67 0.00 5.75 -0.92 -4.72 116.55 113.94 1k3r n ASP 184 Ca -0.19 -0.18 -0.19 0.00 -0.01 0.00 0.00 54.79 54.22 1k3r n ASP 184 Cb 0.59 -0.21 -0.17 0.00 -1.03 0.00 0.00 41.12 40.29 1k3r n ASP 184 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1k3r s VAL 185 N -2.64 -0.16 -0.24 2.12 1.01 -1.13 -5.04 120.40 114.33 1k3r s VAL 185 Ca 0.25 0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 1k3r s VAL 185 Cb 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.36 1k3r s VAL 185 CO 0.49 0.17 0.05 -0.69 0.00 0.00 0.00 175.10 175.12 1k3r s VAL 186 N 2.19 4.16 -0.21 2.92 1.01 -1.26 -0.53 120.40 128.67 1k3r s VAL 186 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1k3r s VAL 186 Cb -0.12 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1k3r s VAL 186 CO -0.04 0.36 -0.05 -0.69 0.00 0.00 0.00 175.10 174.68 1k3r s VAL 187 N 1.51 3.36 -0.18 2.92 1.01 0.67 -0.84 120.40 128.85 1k3r s VAL 187 Ca 0.06 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1k3r s VAL 187 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1k3r s VAL 187 CO 0.02 0.44 0.01 0.00 0.00 0.00 0.00 175.10 175.57 1k3r s ALA 188 N 1.28 3.16 -0.05 5.51 0.00 0.90 -0.43 121.76 132.12 1k3r s ALA 188 Ca 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 1k3r s ALA 188 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1k3r s ALA 188 CO -0.02 0.12 0.16 0.95 0.00 0.00 0.00 175.76 176.97 1k3r s THR 189 N 0.51 5.43 -0.23 0.00 -4.23 -1.10 -0.09 115.64 115.94 1k3r s THR 189 Ca -0.00 -0.04 -0.28 0.00 -1.18 0.00 0.00 61.69 60.19 1k3r s THR 189 Cb -0.14 -3.47 0.14 0.00 1.34 0.00 0.00 72.50 70.37 1k3r s THR 189 CO 0.02 0.43 1.11 -0.55 -0.54 0.00 0.00 174.62 175.09 1k3r s SER 190 N -1.60 -0.31 0.35 3.99 0.15 0.48 -4.70 113.70 112.05 1k3r s SER 190 Ca 0.23 0.46 0.13 0.00 0.70 0.00 0.00 55.95 57.47 1k3r s SER 190 Cb -0.12 0.42 0.64 0.00 -1.71 0.00 0.00 66.02 65.25 1k3r s SER 190 CO 0.13 -0.21 1.76 0.03 1.20 0.00 0.00 173.24 176.16 1k3r h ARG 191 N 3.06 0.00 0.00 5.44 -0.00 -1.97 -2.82 114.38 118.09 1k3r h ARG 191 Ca -0.21 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.20 1k3r h ARG 191 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.13 1k3r h ARG 191 CO 0.22 0.43 -0.35 -0.91 0.00 0.00 0.00 179.97 179.37 1k3r h ASN 192 N 0.00 0.00 -3.89 7.04 2.35 -1.95 -3.46 115.58 115.68 1k3r h ASN 192 Ca -0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.30 1k3r h ASN 192 Cb 0.80 0.00 0.16 0.00 0.05 0.00 0.00 38.32 39.33 1k3r h ASN 192 CO 0.06 0.35 0.21 0.00 -1.65 0.00 0.00 177.43 176.40 1k3r s ALA 193 N -3.60 1.07 0.30 -0.83 0.00 -1.07 -4.99 121.76 112.64 1k3r s ALA 193 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 1k3r s ALA 193 Cb 0.11 -3.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 1k3r s ALA 193 CO 0.68 -2.87 1.26 0.45 0.00 0.00 0.00 175.76 175.28 1k3r s SER 194 N -3.71 6.92 0.25 0.00 0.15 -1.26 -4.33 113.70 111.72 1k3r s SER 194 Ca 0.66 2.54 -0.30 0.00 0.70 0.00 0.00 55.95 59.56 1k3r s SER 194 Cb -0.16 -2.64 -0.10 0.00 -1.71 0.00 0.00 66.02 61.41 1k3r s SER 194 CO 0.56 -0.43 1.42 -2.16 1.20 0.00 0.00 173.24 173.83 1k3r s PRO 195 N -1.46 4.28 0.34 5.44 0.04 -1.26 -1.57 135.00 140.81 1k3r s PRO 195 Ca 0.49 2.28 0.15 0.00 0.04 0.00 0.00 61.00 63.96 1k3r s PRO 195 Cb -0.37 -3.11 1.11 0.00 0.04 0.00 0.00 34.50 32.17 1k3r s PRO 195 CO 0.48 -0.39 1.65 0.97 0.04 0.00 0.00 177.00 179.75 1k3r h ILE 196 N 3.52 0.27 0.00 0.56 6.09 -1.59 0.71 117.51 127.06 1k3r h ILE 196 Ca -0.46 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1k3r h ILE 196 Cb 1.22 -0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1k3r h ILE 196 CO 0.77 0.05 0.00 0.35 -3.07 0.00 0.00 178.15 176.25 1k3r n THR 197 N -5.08 1.71 -0.07 2.19 -2.24 -1.26 -0.87 114.28 108.66 1k3r n THR 197 Ca 0.32 0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 62.46 1k3r n THR 197 Cb 1.01 -1.43 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 1k3r n THR 197 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k3r n SER 198 N -1.43 1.47 -0.98 3.42 7.64 0.25 -4.50 113.62 119.49 1k3r n SER 198 Ca 0.00 0.25 -0.02 0.00 1.01 0.00 0.00 58.87 60.11 1k3r n SER 198 Cb 0.00 -0.67 0.04 0.00 -1.01 0.00 0.00 64.21 62.58 1k3r n SER 198 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1k3r n ILE 199 N -3.98 0.94 0.12 0.44 -5.35 -1.18 -4.57 119.36 105.78 1k3r n ILE 199 Ca -0.10 -0.26 -0.16 0.00 -0.27 0.00 0.00 62.75 61.96 1k3r n ILE 199 Cb 0.39 -0.72 -0.09 0.00 -1.74 0.00 0.00 39.64 37.48 1k3r n ILE 199 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1k3r h LEU 200 N 0.83 -1.42 -0.89 7.28 6.46 -1.23 0.21 115.31 126.56 1k3r h LEU 200 Ca 0.06 0.15 0.05 0.00 -0.12 0.00 0.00 57.88 58.01 1k3r h LEU 200 Cb 1.05 0.52 -0.06 0.00 -0.73 0.00 0.00 40.66 41.44 1k3r h LEU 200 CO 0.13 -0.54 0.57 -0.78 -0.62 0.00 0.00 178.44 177.20 1k3r h ASP 201 N -0.72 0.92 0.24 1.25 3.58 -1.87 -0.22 116.42 119.60 1k3r h ASP 201 Ca 0.01 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.47 1k3r h ASP 201 Cb 0.73 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1k3r h ASP 201 CO -0.26 0.61 -0.37 -0.08 -2.88 0.00 0.00 179.24 176.26 1k3r h GLU 202 N 1.07 -0.66 -0.50 0.28 4.81 -1.76 -0.07 114.58 117.75 1k3r h GLU 202 Ca 0.37 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.73 1k3r h GLU 202 Cb 0.08 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.54 1k3r h GLU 202 CO -0.14 -0.44 0.08 0.28 -0.73 0.00 0.00 179.01 178.05 1k3r h VAL 203 N -0.69 0.69 -0.56 0.32 2.07 -0.42 -0.90 116.25 116.76 1k3r h VAL 203 Ca -0.00 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1k3r h VAL 203 Cb 0.66 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1k3r h VAL 203 CO -0.14 0.04 0.27 0.50 0.02 0.00 0.00 177.57 178.26 1k3r h LYS 204 N 0.21 0.50 -0.61 1.57 3.64 -0.58 0.24 116.57 121.54 1k3r h LYS 204 Ca 0.25 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1k3r h LYS 204 Cb 0.35 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1k3r h LYS 204 CO -0.35 0.33 0.26 1.15 -2.27 0.00 0.00 179.45 178.57 1k3r h THR 205 N 0.52 1.22 -0.36 1.00 2.02 -0.12 -0.10 112.91 117.09 1k3r h THR 205 Ca 0.25 -0.68 -0.16 0.00 0.77 0.00 0.00 66.41 66.60 1k3r h THR 205 Cb 0.19 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1k3r h THR 205 CO -0.19 0.27 -0.38 -0.09 0.37 0.00 0.00 175.52 175.50 1k3r h ARG 206 N 0.84 0.90 -0.57 6.66 9.65 -0.65 -2.23 114.38 128.98 1k3r h ARG 206 Ca 0.21 -0.48 -0.10 0.00 -1.10 0.00 0.00 59.98 58.51 1k3r h ARG 206 Cb 0.17 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1k3r h ARG 206 CO -0.02 1.13 -0.03 0.52 2.80 0.00 0.00 179.97 184.37 1k3r h MET 207 N 0.71 1.03 -0.07 0.20 2.86 -0.36 -3.11 114.93 116.19 1k3r h MET 207 Ca 0.06 -0.34 -0.22 0.00 -2.06 0.00 0.00 59.70 57.14 1k3r h MET 207 Cb 0.97 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.55 1k3r h MET 207 CO 0.09 1.03 -0.84 0.00 1.06 0.00 0.00 176.91 178.25 1k3r h ARG 208 N 0.92 0.58 -2.02 1.72 3.08 -1.06 -2.92 114.38 114.67 1k3r h ARG 208 Ca 0.16 -0.52 -0.07 0.00 0.07 0.00 0.00 59.98 59.61 1k3r h ARG 208 Cb 0.58 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1k3r h ARG 208 CO 0.03 1.15 -0.13 0.41 -1.07 0.00 0.00 179.97 180.36 1k3r n GLY 209 N 0.77 2.58 3.96 0.04 0.00 -0.84 -4.84 105.19 106.86 1k3r n GLY 209 Ca -0.07 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 1k3r n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3r s ALA 210 N 0.50 3.88 0.18 4.61 0.00 -1.10 -4.95 121.76 124.88 1k3r s ALA 210 Ca 0.24 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1k3r s ALA 210 Cb 0.12 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1k3r s ALA 210 CO 0.00 -0.05 0.00 -2.13 0.00 0.00 0.00 175.76 173.58 1k3r n ARG 211 N -1.74 0.00 -3.68 0.00 3.00 -1.26 -4.76 116.66 108.21 1k3r n ARG 211 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.71 1k3r n ARG 211 Cb 0.57 -0.26 -0.11 0.00 0.00 0.00 0.00 32.46 32.66 1k3r n ARG 211 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1k3r s GLU 212 N -1.94 0.31 0.10 -0.14 2.02 -1.26 -2.89 118.70 114.91 1k3r s GLU 212 Ca 0.00 0.82 0.09 0.00 0.02 0.00 0.00 54.97 55.90 1k3r s GLU 212 Cb 0.00 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.26 1k3r s GLU 212 CO 0.00 -0.21 -0.19 0.00 0.02 0.00 0.00 175.26 174.89 1k3r s ALA 213 N 1.90 2.64 -0.19 5.21 0.00 0.27 -2.16 121.76 129.41 1k3r s ALA 213 Ca -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1k3r s ALA 213 Cb -0.10 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1k3r s ALA 213 CO -0.12 0.59 -0.17 0.00 0.00 0.00 0.00 175.76 176.06 1k3r s ALA 214 N -1.09 2.41 -0.23 0.00 0.00 0.31 -0.51 121.76 122.64 1k3r s ALA 214 Ca 0.17 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 1k3r s ALA 214 Cb -0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1k3r s ALA 214 CO 0.09 -0.45 0.11 0.42 0.00 0.00 0.00 175.76 175.93 1k3r s ILE 215 N 1.29 4.84 -0.16 0.00 -1.09 0.15 -0.24 121.20 125.99 1k3r s ILE 215 Ca 0.04 -0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.33 1k3r s ILE 215 Cb -0.14 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.45 1k3r s ILE 215 CO -0.11 0.36 0.24 -0.76 -1.23 0.00 0.00 174.94 173.44 1k3r s LEU 216 N 1.17 4.25 -0.10 2.97 1.43 0.43 -0.51 118.68 128.32 1k3r s LEU 216 Ca 0.06 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1k3r s LEU 216 Cb -0.14 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.80 1k3r s LEU 216 CO 0.04 0.15 -0.20 -0.36 0.23 0.00 0.00 176.35 176.21 1k3r s PHE 217 N 0.27 2.29 0.00 0.29 0.40 0.11 -2.70 117.98 118.64 1k3r s PHE 217 Ca 0.14 -0.97 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1k3r s PHE 217 Cb -0.12 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1k3r s PHE 217 CO 0.03 -0.42 0.00 0.41 0.70 0.00 0.00 175.22 175.93 1k3r n GLY 218 N 3.72 2.45 3.14 4.36 0.00 -1.26 -4.03 105.19 113.57 1k3r n GLY 218 Ca -0.20 -2.01 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 1k3r n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3r n GLY 219 N 5.00 1.23 0.09 -0.02 0.00 -1.11 -4.74 105.19 105.63 1k3r n GLY 219 Ca 0.00 -2.10 0.01 0.00 0.00 0.00 0.00 46.02 43.93 1k3r n GLY 219 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k3r n PRO 220 N -2.29 0.63 0.16 1.61 -0.04 -1.26 -3.08 135.00 130.73 1k3r n PRO 220 Ca 0.13 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 1k3r n PRO 220 Cb 0.48 -1.74 0.23 0.00 -0.04 0.00 0.00 33.50 32.43 1k3r n PRO 220 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1k3r h TYR 221 N 0.00 0.00 0.00 0.54 0.99 -1.95 -3.42 116.97 113.14 1k3r h TYR 221 Ca -0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.55 1k3r h TYR 221 Cb 1.55 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.28 1k3r h TYR 221 CO 0.00 0.00 -0.46 1.63 -0.00 0.00 0.00 178.16 179.33 1k3r n LYS 222 N -2.69 0.00 0.00 4.88 4.01 -1.26 -5.14 118.16 117.96 1k3r n LYS 222 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1k3r n LYS 222 Cb 0.49 -0.32 0.00 0.00 -0.51 0.00 0.00 35.03 34.70 1k3r n LYS 222 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1k3r n GLY 223 N 2.53 0.57 3.05 0.72 0.00 -1.18 -4.94 105.19 105.95 1k3r n GLY 223 Ca 0.00 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 1k3r n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k3r s LEU 224 N 0.00 2.10 0.98 0.99 1.43 -1.26 -2.75 118.68 120.18 1k3r s LEU 224 Ca 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1k3r s LEU 224 Cb 0.00 -0.41 0.18 0.00 0.03 0.00 0.00 46.19 45.99 1k3r s LEU 224 CO 0.00 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.53 1k3r s PRO 225 N -0.72 0.54 -1.40 1.29 0.04 -1.26 -4.87 135.00 128.62 1k3r s PRO 225 Ca 0.00 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 1k3r s PRO 225 Cb -0.06 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.76 1k3r s PRO 225 CO 0.00 -2.68 2.23 0.39 0.04 0.00 0.00 177.00 176.99 1k3r n GLU 226 N -4.15 2.76 -2.47 4.56 1.02 -1.26 -4.93 120.64 116.17 1k3r n GLU 226 Ca 0.06 -2.50 -0.26 0.00 -0.02 0.00 0.00 57.16 54.43 1k3r n GLU 226 Cb 0.57 -3.23 0.03 0.00 -0.02 0.00 0.00 31.44 28.79 1k3r n GLU 226 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1k3r s ILE 227 N 3.32 3.58 -0.25 -3.67 1.10 -1.26 -5.04 121.20 118.99 1k3r s ILE 227 Ca 0.49 -0.11 -0.16 0.00 -0.51 0.00 0.00 60.65 60.37 1k3r s ILE 227 Cb 0.14 -3.41 -0.03 0.00 0.15 0.00 0.00 42.46 39.30 1k3r s ILE 227 CO -0.07 -0.40 0.42 -0.62 -2.11 0.00 0.00 174.94 172.16 1k3r s ASP 228 N -4.31 6.34 0.33 4.50 -1.08 -1.26 -5.05 116.67 116.14 1k3r s ASP 228 Ca 0.54 0.40 0.07 0.00 -0.52 0.00 0.00 52.55 53.03 1k3r s ASP 228 Cb -0.10 -2.23 -0.07 0.00 -1.46 0.00 0.00 42.92 39.06 1k3r s ASP 228 CO 0.44 -0.19 -0.03 0.00 0.52 0.00 0.00 175.17 175.91 1k3r s ALA 229 N 1.99 2.65 -0.24 3.66 0.00 -1.26 -5.00 121.76 123.57 1k3r s ALA 229 Ca 0.17 -2.07 0.20 0.00 0.00 0.00 0.00 51.96 50.27 1k3r s ALA 229 Cb -0.16 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1k3r s ALA 229 CO 0.09 -0.10 1.15 -0.44 0.00 0.00 0.00 175.76 176.46 1k3r h ASP 230 N 2.08 0.00 -3.48 0.00 3.45 -1.38 -3.46 116.42 113.64 1k3r h ASP 230 Ca -0.41 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 56.88 1k3r h ASP 230 Cb 1.24 0.00 -0.28 0.00 -0.56 0.00 0.00 39.33 39.73 1k3r h ASP 230 CO 0.71 0.21 -0.42 -0.63 -1.57 0.00 0.00 179.24 177.54 1k3r s ILE 231 N -3.17 -0.03 -0.13 0.35 1.01 -0.77 -5.00 121.20 113.47 1k3r s ILE 231 Ca 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 1k3r s ILE 231 Cb 0.08 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 1k3r s ILE 231 CO 0.77 0.04 -0.11 0.26 0.00 0.00 0.00 174.94 175.89 1k3r s TRP 232 N 0.94 2.85 -0.08 3.97 0.52 -1.26 -0.07 118.94 125.82 1k3r s TRP 232 Ca -0.06 -0.53 -0.28 0.00 0.02 0.00 0.00 56.10 55.24 1k3r s TRP 232 Cb -0.07 -1.85 0.06 0.00 -1.15 0.00 0.00 33.47 30.46 1k3r s TRP 232 CO -0.07 -0.14 0.64 0.54 0.02 0.00 0.00 176.95 177.95 1k3r s VAL 233 N 0.27 0.01 -0.46 4.03 0.11 0.88 -4.37 120.40 120.86 1k3r s VAL 233 Ca -0.08 -0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 1k3r s VAL 233 Cb -0.15 -0.95 0.08 0.00 -1.53 0.00 0.00 36.38 33.83 1k3r s VAL 233 CO 0.05 -0.03 0.36 0.21 -3.33 0.00 0.00 175.10 172.36 1k3r s ASN 234 N -0.95 5.98 0.00 3.54 3.84 -0.61 -0.39 114.94 126.35 1k3r s ASN 234 Ca -0.09 -1.44 0.30 0.00 0.21 0.00 0.00 52.86 51.84 1k3r s ASN 234 Cb -0.01 -2.12 1.49 0.00 -0.55 0.00 0.00 41.25 40.06 1k3r s ASN 234 CO 0.08 -0.63 2.02 0.35 -2.79 0.00 0.00 177.10 176.13 1k3r n THR 235 N 5.11 0.00 -3.25 -5.21 -2.24 -1.26 -1.43 114.28 105.99 1k3r n THR 235 Ca -0.12 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.39 1k3r n THR 235 Cb 0.43 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 1k3r n THR 235 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k3r n LEU 236 N -1.14 2.83 -4.74 3.22 4.32 -1.26 -4.89 117.00 115.35 1k3r n LEU 236 Ca 0.16 -5.28 -0.42 0.00 -0.02 0.00 0.00 56.01 50.44 1k3r n LEU 236 Cb 0.23 -0.23 -0.02 0.00 -1.62 0.00 0.00 43.42 41.79 1k3r n LEU 236 CO 0.22 2.14 1.24 -2.65 -1.22 0.00 0.00 177.39 177.13 1k3r n PRO 237 N 0.70 2.66 -3.06 3.23 -0.02 -1.26 -3.75 135.00 133.50 1k3r n PRO 237 Ca 0.28 0.95 -0.13 0.00 -2.02 0.00 0.00 63.50 62.57 1k3r n PRO 237 Cb 0.46 -2.73 0.07 0.00 -0.02 0.00 0.00 33.50 31.28 1k3r n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k3r n GLY 238 N 2.32 -0.29 3.77 -1.23 0.00 -1.26 -5.00 105.19 103.51 1k3r n GLY 238 Ca 0.09 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1k3r n GLY 238 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k3r s GLN 239 N -4.86 3.72 0.00 1.61 -2.07 -1.25 -4.93 119.66 111.89 1k3r s GLN 239 Ca 0.07 1.69 0.22 0.00 -1.82 0.00 0.00 55.36 55.52 1k3r s GLN 239 Cb -0.01 -2.33 0.25 0.00 -1.09 0.00 0.00 33.01 29.83 1k3r s GLN 239 CO 0.57 -0.56 1.25 0.00 -1.32 0.00 0.00 175.29 175.23 1k3r s THR 241 N -1.69 3.59 0.26 0.00 -4.23 -1.26 -5.03 115.64 107.28 1k3r s THR 241 Ca 0.29 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1k3r s THR 241 Cb 0.19 -2.77 0.06 0.00 1.34 0.00 0.00 72.50 71.32 1k3r s THR 241 CO 0.28 -0.05 1.69 -0.33 -0.54 0.00 0.00 174.62 175.67 1k3r h GLU 242 N 2.97 0.59 -5.53 3.99 5.08 -2.03 -3.44 114.58 116.21 1k3r h GLU 242 Ca -0.47 -0.23 -0.48 0.00 -1.00 0.00 0.00 59.36 57.18 1k3r h GLU 242 Cb 1.19 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 1k3r h GLU 242 CO 0.56 0.78 -0.69 0.95 -1.00 0.00 0.00 179.01 179.61 1k3r s THR 243 N -4.53 1.68 -0.08 1.13 -4.23 -1.26 -5.05 115.64 103.30 1k3r s THR 243 Ca -0.08 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.26 1k3r s THR 243 Cb 0.13 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1k3r s THR 243 CO 0.81 -0.39 0.02 -0.69 -0.54 0.00 0.00 174.62 173.83 1k3r s VAL 244 N -3.00 0.24 0.68 2.29 1.01 -1.26 -5.04 120.40 115.32 1k3r s VAL 244 Ca 0.27 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 1k3r s VAL 244 Cb 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1k3r s VAL 244 CO 0.10 0.19 1.15 -0.13 0.00 0.00 0.00 175.10 176.41 1k3r s ARG 245 N 2.02 2.57 0.18 2.72 1.81 -1.26 -4.37 118.95 122.62 1k3r s ARG 245 Ca 0.04 1.56 -0.13 0.00 -1.72 0.00 0.00 55.73 55.49 1k3r s ARG 245 Cb -0.13 -1.91 0.18 0.00 -0.45 0.00 0.00 34.95 32.65 1k3r s ARG 245 CO -0.05 -1.46 1.73 1.15 -0.68 0.00 0.00 175.30 175.99 1k3r h THR 246 N -0.02 0.77 -0.72 0.02 2.02 -1.92 0.18 112.91 113.25 1k3r h THR 246 Ca -0.47 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 66.65 1k3r h THR 246 Cb 1.27 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1k3r h THR 246 CO 0.52 0.05 0.47 1.05 0.37 0.00 0.00 175.52 177.99 1k3r h GLU 247 N 0.29 0.82 -0.10 6.66 4.11 -1.92 0.39 114.58 124.84 1k3r h GLU 247 Ca 0.24 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.56 1k3r h GLU 247 Cb 0.30 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1k3r h GLU 247 CO -0.29 0.54 -0.19 0.93 0.07 0.00 0.00 179.01 180.08 1k3r h GLU 248 N 0.85 0.30 -0.94 1.06 5.08 -1.53 -3.01 114.58 116.38 1k3r h GLU 248 Ca 0.29 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1k3r h GLU 248 Cb 0.10 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1k3r h GLU 248 CO -0.09 0.78 0.62 0.00 -1.00 0.00 0.00 179.01 179.32 1k3r h ALA 249 N 0.51 1.20 0.05 3.43 0.00 0.26 -0.16 119.26 124.54 1k3r h ALA 249 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k3r h ALA 249 Cb 0.77 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1k3r h ALA 249 CO 0.04 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 180.16 1k3r h VAL 250 N 1.28 0.99 -0.14 0.00 2.07 -0.27 -0.67 116.25 119.51 1k3r h VAL 250 Ca 0.34 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 1k3r h VAL 250 Cb -0.13 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1k3r h VAL 250 CO -0.07 0.02 -0.01 0.25 0.02 0.00 0.00 177.57 177.78 1k3r h LEU 251 N -0.10 0.26 -0.93 2.57 5.85 -1.36 -1.69 115.31 119.90 1k3r h LEU 251 Ca -0.01 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1k3r h LEU 251 Cb 0.09 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1k3r h LEU 251 CO 0.01 0.52 0.61 0.00 -0.34 0.00 0.00 178.44 179.25 1k3r h ALA 252 N 0.74 1.21 -0.19 1.25 0.00 -0.98 -1.96 119.26 119.32 1k3r h ALA 252 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1k3r h ALA 252 Cb 0.40 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1k3r h ALA 252 CO 0.01 0.53 -0.25 1.15 0.00 0.00 0.00 179.25 180.69 1k3r h THR 253 N 1.22 1.34 -1.00 0.00 2.02 -1.09 -2.58 112.91 112.82 1k3r h THR 253 Ca 0.36 -1.44 0.03 0.00 0.77 0.00 0.00 66.41 66.13 1k3r h THR 253 Cb -0.07 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.11 1k3r h THR 253 CO -0.10 0.44 0.65 -0.07 0.37 0.00 0.00 175.52 176.81 1k3r h LEU 254 N 0.16 1.09 -0.76 2.58 4.07 -1.11 -1.08 115.31 120.26 1k3r h LEU 254 Ca 0.02 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 1k3r h LEU 254 Cb 0.81 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1k3r h LEU 254 CO 0.06 0.76 -0.30 0.77 -1.08 0.00 0.00 178.44 178.64 1k3r h SER 255 N 1.27 0.00 -0.05 -0.43 4.64 -1.28 0.18 113.55 117.88 1k3r h SER 255 Ca 0.39 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 1k3r h SER 255 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1k3r h SER 255 CO -0.12 0.30 -0.12 0.58 -0.87 0.00 0.00 176.83 176.60 1k3r h VAL 256 N 0.00 1.44 -0.26 0.95 2.07 -0.93 -2.88 116.25 116.64 1k3r h VAL 256 Ca -0.00 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 1k3r h VAL 256 Cb 0.93 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1k3r h VAL 256 CO 0.04 0.41 -0.19 -0.26 0.02 0.00 0.00 177.57 177.58 1k3r h PHE 257 N -0.36 0.50 -0.08 1.57 -1.00 -1.13 -1.93 116.94 114.52 1k3r h PHE 257 Ca -0.00 -0.09 0.02 0.00 2.81 0.00 0.00 57.97 60.71 1k3r h PHE 257 Cb 0.72 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.15 1k3r h PHE 257 CO 0.12 0.63 0.07 -0.97 -1.61 0.00 0.00 178.31 176.56 1k3r h ASN 258 N 0.42 0.00 1.58 2.17 -1.24 -0.61 0.75 115.58 118.65 1k3r h ASN 258 Ca 0.07 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 1k3r h ASN 258 Cb 0.57 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1k3r h ASN 258 CO 0.04 0.00 -0.42 -0.03 -1.29 0.00 0.00 177.43 175.72 1k3r h MET 259 N 0.00 0.00 0.12 6.67 4.05 -1.12 -3.36 114.93 121.29 1k3r h MET 259 Ca 0.04 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.13 1k3r h MET 259 Cb 0.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1k3r h MET 259 CO -0.00 0.14 -1.77 -0.07 0.23 0.00 0.00 176.91 175.44 1k3r h LEU 260 N 0.00 0.39 -2.73 3.39 3.38 -0.78 -3.38 115.31 115.59 1k3r h LEU 260 Ca -0.01 -0.88 -0.19 0.00 0.09 0.00 0.00 57.88 56.89 1k3r h LEU 260 Cb 1.13 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 1k3r h LEU 260 CO 0.02 1.77 0.24 0.35 0.09 0.00 0.00 178.44 180.90 1k3r n THR 261 N -3.70 1.81 -1.75 0.22 -2.24 -0.48 -4.90 114.28 103.24 1k3r n THR 261 Ca -0.30 -0.75 -0.30 0.00 -2.27 0.00 0.00 64.05 60.44 1k3r n THR 261 Cb 0.98 -0.76 0.20 0.00 -2.10 0.00 0.00 70.33 68.66 1k3r n THR 261 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1k3r s GLN 262 N -1.34 0.15 -0.01 -0.78 2.00 -1.26 -3.94 119.66 114.48 1k3r s GLN 262 Ca 0.23 -0.38 -0.05 0.00 -2.00 0.00 0.00 55.36 53.16 1k3r s GLN 262 Cb 0.19 -1.79 0.00 0.00 0.80 0.00 0.00 33.01 32.21 1k3r s GLN 262 CO 0.05 -2.75 0.10 0.96 -0.50 0.00 0.00 175.29 173.14 1k3r s ILE 263 N -3.72 0.06 -0.72 -2.34 -4.36 -1.26 -4.98 121.20 103.88 1k3r s ILE 263 Ca 0.74 -0.50 0.00 0.00 -0.26 0.00 0.00 60.65 60.63 1k3r s ILE 263 Cb -0.04 -0.31 0.00 0.00 1.25 0.00 0.00 42.46 43.36 1k3r s ILE 263 CO 0.54 -0.27 0.18 0.47 0.24 0.00 0.00 174.94 176.09