#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkx s LEU 2 N 0.00 3.48 0.23 4.03 1.98 -1.26 -5.01 118.68 122.14 2rkx s LEU 2 Ca 0.00 1.70 -0.28 0.00 -2.89 0.00 0.00 54.13 52.65 2rkx s LEU 2 Cb 0.00 -4.52 -0.16 0.00 0.66 0.00 0.00 46.19 42.17 2rkx s LEU 2 CO 0.00 -1.00 0.74 0.00 -1.89 0.00 0.00 176.35 174.21 2rkx n ALA 3 N -2.04 -1.79 -1.64 5.97 0.00 -1.26 -4.93 120.51 114.82 2rkx n ALA 3 Ca 0.08 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.60 2rkx n ALA 3 Cb 0.53 -1.79 0.03 0.00 0.00 0.00 0.00 19.45 18.23 2rkx n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rkx s LYS 4 N -1.17 2.95 0.04 0.00 -0.14 0.15 -4.97 119.74 116.59 2rkx s LYS 4 Ca 0.63 1.61 0.08 0.00 -1.36 0.00 0.00 55.97 56.93 2rkx s LYS 4 Cb -0.85 -1.95 -0.03 0.00 -1.68 0.00 0.00 37.83 33.33 2rkx s LYS 4 CO 0.57 -1.17 -0.24 1.03 -0.76 0.00 0.00 175.35 174.79 2rkx s ARG 5 N -3.62 1.65 -0.21 1.68 0.52 -0.90 -4.31 118.95 113.76 2rkx s ARG 5 Ca 0.72 -1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 54.89 2rkx s ARG 5 Cb -0.25 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.44 2rkx s ARG 5 CO 0.35 0.46 -0.02 0.42 0.02 0.00 0.00 175.30 176.53 2rkx s ILE 6 N -0.76 3.63 -0.15 1.52 -1.09 -1.26 -1.19 121.20 121.89 2rkx s ILE 6 Ca 0.10 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 2rkx s ILE 6 Cb -0.09 -2.65 -0.00 0.00 -1.58 0.00 0.00 42.46 38.14 2rkx s ILE 6 CO 0.02 0.42 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.36 2rkx s ILE 7 N 1.30 2.65 -0.16 2.92 1.01 0.43 -1.09 121.20 128.26 2rkx s ILE 7 Ca 0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 2rkx s ILE 7 Cb -0.14 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2rkx s ILE 7 CO -0.01 0.52 0.63 0.00 0.00 0.00 0.00 174.94 176.09 2rkx s ALA 8 N 0.72 3.49 -0.18 9.38 0.00 -0.97 -1.89 121.76 132.30 2rkx s ALA 8 Ca -0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 2rkx s ALA 8 Cb -0.16 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 2rkx s ALA 8 CO 0.01 -0.39 0.15 0.00 0.00 0.00 0.00 175.76 175.54 2rkx s ALA 9 N 1.51 3.70 -0.14 0.00 0.00 -0.01 -0.85 121.76 125.98 2rkx s ALA 9 Ca 0.31 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2rkx s ALA 9 Cb -0.16 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.79 2rkx s ALA 9 CO 0.12 0.22 -0.20 -0.51 0.00 0.00 0.00 175.76 175.39 2rkx s LEU 10 N 0.17 2.23 -0.16 0.00 1.02 0.18 -4.37 118.68 117.76 2rkx s LEU 10 Ca 0.10 -0.55 -0.23 0.00 0.02 0.00 0.00 54.13 53.47 2rkx s LEU 10 Cb -0.11 -1.48 -0.02 0.00 0.02 0.00 0.00 46.19 44.59 2rkx s LEU 10 CO -0.00 0.09 0.71 -0.63 0.02 0.00 0.00 176.35 176.54 2rkx s ILE 11 N 0.77 4.98 0.11 -0.59 1.01 -1.26 -0.40 121.20 125.82 2rkx s ILE 11 Ca -0.07 1.39 0.10 0.00 0.00 0.00 0.00 60.65 62.06 2rkx s ILE 11 Cb -0.16 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2rkx s ILE 11 CO -0.00 0.12 -0.24 0.68 0.00 0.00 0.00 174.94 175.49 2rkx s VAL 12 N 1.73 1.98 -0.21 2.92 -7.23 -0.06 -0.93 120.40 118.60 2rkx s VAL 12 Ca 0.34 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.77 2rkx s VAL 12 Cb -0.16 -1.77 0.08 0.00 0.56 0.00 0.00 36.38 35.08 2rkx s VAL 12 CO 0.13 0.02 0.49 -0.75 -0.31 0.00 0.00 175.10 174.67 2rkx s LYS 13 N -1.97 0.44 -1.43 4.82 2.20 0.02 -1.01 119.74 122.81 2rkx s LYS 13 Ca 0.10 1.03 -0.04 0.00 -0.36 0.00 0.00 55.97 56.70 2rkx s LYS 13 Cb -0.10 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2rkx s LYS 13 CO 0.05 -0.19 0.32 -0.25 -0.36 0.00 0.00 175.35 174.92 2rkx n ASP 14 N 4.80 -5.03 0.00 1.43 8.00 -1.26 -0.67 116.55 123.82 2rkx n ASP 14 Ca -0.16 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.19 2rkx n ASP 14 Cb 0.53 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 2rkx n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rkx n GLY 15 N -1.18 0.66 3.42 0.44 0.00 -1.26 -5.04 105.19 102.22 2rkx n GLY 15 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2rkx n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rkx s ARG 16 N -0.07 1.96 -0.27 1.61 1.81 0.15 -4.40 118.95 119.74 2rkx s ARG 16 Ca 0.00 -1.03 -0.29 0.00 -1.72 0.00 0.00 55.73 52.69 2rkx s ARG 16 Cb 0.00 -2.11 -0.02 0.00 -0.45 0.00 0.00 34.95 32.37 2rkx s ARG 16 CO 0.00 0.53 1.69 0.08 -0.68 0.00 0.00 175.30 176.92 2rkx s VAL 17 N -0.89 3.60 0.09 3.52 1.01 -0.47 -0.80 120.40 126.47 2rkx s VAL 17 Ca 0.14 0.65 -0.31 0.00 0.00 0.00 0.00 61.98 62.45 2rkx s VAL 17 Cb -0.10 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2rkx s VAL 17 CO 0.04 -0.37 1.81 -0.69 0.00 0.00 0.00 175.10 175.90 2rkx s VAL 18 N 5.93 2.76 0.00 2.92 1.01 -0.11 -1.94 120.40 130.98 2rkx s VAL 18 Ca 0.75 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2rkx s VAL 18 Cb -0.23 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2rkx s VAL 18 CO 0.32 -0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.70 2rkx n LYS 19 N 6.06 0.00 0.00 2.72 4.76 -1.26 -4.83 118.16 125.61 2rkx n LYS 19 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2rkx n LYS 19 Cb 0.39 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2rkx n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2rkx n GLY 20 N -2.00 1.31 3.62 0.72 0.00 -0.82 -4.96 105.19 103.06 2rkx n GLY 20 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 2rkx n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rkx s SER 21 N -4.00 -0.42 -0.05 1.61 0.15 -1.24 -4.87 113.70 104.87 2rkx s SER 21 Ca 0.00 0.75 0.14 0.00 0.70 0.00 0.00 55.95 57.53 2rkx s SER 21 Cb 0.00 0.73 0.49 0.00 -1.71 0.00 0.00 66.02 65.53 2rkx s SER 21 CO 0.00 -0.19 1.37 0.59 1.20 0.00 0.00 173.24 176.20 2rkx n ASN 22 N 1.86 3.23 -4.51 5.45 4.13 -0.06 -4.86 115.26 120.50 2rkx n ASN 22 Ca -0.12 -2.21 -0.42 0.00 1.68 0.00 0.00 54.58 53.50 2rkx n ASN 22 Cb 0.56 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 38.33 2rkx n ASN 22 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2rkx s PHE 23 N -1.62 2.55 -0.32 3.10 0.08 -1.26 -4.87 117.98 115.65 2rkx s PHE 23 Ca 0.35 -0.22 0.26 0.00 0.12 0.00 0.00 56.93 57.44 2rkx s PHE 23 Cb 0.21 -4.39 0.64 0.00 -0.57 0.00 0.00 43.02 38.92 2rkx s PHE 23 CO 0.19 -1.74 1.72 1.05 -0.10 0.00 0.00 175.22 176.33 2rkx h GLU 24 N 9.68 0.00 0.00 0.44 9.09 -2.00 -3.08 114.58 128.71 2rkx h GLU 24 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.13 2rkx h GLU 24 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 2rkx h GLU 24 CO 1.20 0.00 0.00 -2.95 0.05 0.00 0.00 179.01 177.31 2rkx h ASN 25 N 0.00 0.00 -3.29 3.06 -1.07 -2.02 -3.45 115.58 108.82 2rkx h ASN 25 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 55.81 2rkx h ASN 25 Cb 0.85 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.06 2rkx h ASN 25 CO 0.00 0.00 -0.10 -0.76 0.07 0.00 0.00 177.43 176.64 2rkx s LEU 26 N -4.68 4.36 0.25 6.14 1.43 -1.16 -5.00 118.68 120.01 2rkx s LEU 26 Ca 0.00 1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 54.11 2rkx s LEU 26 Cb 0.08 -3.20 0.31 0.00 0.03 0.00 0.00 46.19 43.42 2rkx s LEU 26 CO 0.31 0.13 1.89 0.03 0.23 0.00 0.00 176.35 178.93 2rkx h ARG 27 N 3.67 1.12 -2.50 1.70 3.08 -1.90 -3.38 114.38 116.17 2rkx h ARG 27 Ca -0.49 -0.07 -0.51 0.00 0.07 0.00 0.00 59.98 58.99 2rkx h ARG 27 Cb 1.20 -0.25 -0.38 0.00 0.08 0.00 0.00 29.97 30.62 2rkx h ARG 27 CO 0.66 0.74 -0.78 0.34 -1.07 0.00 0.00 179.97 179.85 2rkx s ASP 28 N -5.92 2.73 0.00 7.04 -1.08 -1.26 -5.02 116.67 113.16 2rkx s ASP 28 Ca -0.13 -1.70 0.08 0.00 -0.52 0.00 0.00 52.55 50.28 2rkx s ASP 28 Cb 0.18 -0.15 0.36 0.00 -1.46 0.00 0.00 42.92 41.86 2rkx s ASP 28 CO 0.80 -0.35 1.19 -1.54 0.52 0.00 0.00 175.17 175.80 2rkx n SER 29 N 4.54 0.00 -1.12 -0.34 3.41 -1.26 -0.69 113.62 118.15 2rkx n SER 29 Ca 0.05 0.36 0.08 0.00 -0.26 0.00 0.00 58.87 59.11 2rkx n SER 29 Cb 0.41 -0.41 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 2rkx n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rkx n GLY 30 N -0.66 3.06 3.51 5.00 0.00 -1.26 -3.64 105.19 111.20 2rkx n GLY 30 Ca 0.03 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 2rkx n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rkx s ASP 31 N -1.19 6.29 0.47 1.61 2.15 0.13 -1.36 116.67 124.77 2rkx s ASP 31 Ca 0.40 -0.43 0.12 0.00 0.43 0.00 0.00 52.55 53.07 2rkx s ASP 31 Cb 0.27 -2.29 1.08 0.00 -0.30 0.00 0.00 42.92 41.67 2rkx s ASP 31 CO 0.18 -0.72 2.11 1.55 -0.17 0.00 0.00 175.17 178.12 2rkx h PRO 32 N 8.84 0.25 -0.15 4.34 0.13 -1.88 0.14 132.00 143.67 2rkx h PRO 32 Ca -0.26 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 2rkx h PRO 32 Cb 1.10 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2rkx h PRO 32 CO 0.87 0.17 -0.33 0.28 -0.23 0.00 0.00 178.00 178.76 2rkx h VAL 33 N 0.26 1.36 -0.02 1.56 2.07 -1.92 -0.87 116.25 118.69 2rkx h VAL 33 Ca 0.07 -1.59 -0.25 0.00 0.82 0.00 0.00 66.70 65.75 2rkx h VAL 33 Cb -0.03 1.99 0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2rkx h VAL 33 CO -0.01 0.48 -0.99 -0.08 0.02 0.00 0.00 177.57 176.98 2rkx h GLU 34 N 0.12 0.66 -0.67 1.57 4.81 -1.75 -0.88 114.58 118.44 2rkx h GLU 34 Ca 0.00 -0.69 0.07 0.00 -0.13 0.00 0.00 59.36 58.61 2rkx h GLU 34 Cb 0.93 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 2rkx h GLU 34 CO 0.07 1.28 0.36 1.25 -0.73 0.00 0.00 179.01 181.24 2rkx h LEU 35 N 0.38 0.51 -0.38 1.64 5.85 -0.80 -0.54 115.31 121.97 2rkx h LEU 35 Ca -0.11 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 2rkx h LEU 35 Cb 1.64 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 2rkx h LEU 35 CO 0.19 0.32 -0.67 1.23 -0.34 0.00 0.00 178.44 179.18 2rkx h GLY 36 N 0.65 0.63 0.80 3.75 0.00 -1.06 -1.95 103.07 105.89 2rkx h GLY 36 Ca 0.31 -0.82 0.02 0.00 0.00 0.00 0.00 47.33 46.84 2rkx h GLY 36 CO -0.21 0.73 0.02 1.70 0.00 0.00 0.00 176.54 178.79 2rkx h LYS 37 N 0.41 0.08 0.07 4.80 1.63 -0.99 -1.11 116.57 121.47 2rkx h LYS 37 Ca -0.02 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2rkx h LYS 37 Cb 1.25 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.81 2rkx h LYS 37 CO 0.13 0.06 -0.34 0.35 -3.45 0.00 0.00 179.45 176.19 2rkx h PHE 38 N 0.09 -0.94 -0.81 1.91 3.57 -0.98 -1.98 116.94 117.81 2rkx h PHE 38 Ca 0.07 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.79 2rkx h PHE 38 Cb 0.07 0.40 -0.12 0.00 2.79 0.00 0.00 35.95 39.09 2rkx h PHE 38 CO -0.14 -0.44 0.20 1.88 -2.23 0.00 0.00 178.31 177.58 2rkx h TYR 39 N -0.54 0.30 -0.15 0.41 0.05 -1.21 -0.43 116.97 115.40 2rkx h TYR 39 Ca 0.04 0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 2rkx h TYR 39 Cb 0.59 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 2rkx h TYR 39 CO -0.32 -0.14 -0.12 0.66 -1.05 0.00 0.00 178.16 177.19 2rkx h SER 40 N 0.25 0.23 0.46 3.88 4.64 -0.72 -1.92 113.55 120.36 2rkx h SER 40 Ca 0.48 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.60 2rkx h SER 40 Cb 0.88 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2rkx h SER 40 CO -0.58 0.38 -0.65 -0.33 -0.87 0.00 0.00 176.83 174.77 2rkx h GLU 41 N 0.23 0.17 -0.64 4.77 5.08 -0.36 -3.27 114.58 120.56 2rkx h GLU 41 Ca 0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2rkx h GLU 41 Cb 0.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2rkx h GLU 41 CO 0.02 0.77 0.00 0.44 -1.00 0.00 0.00 179.01 179.24 2rkx n ILE 42 N -3.82 1.31 0.00 3.13 -5.35 -0.84 -4.96 119.36 108.84 2rkx n ILE 42 Ca -0.02 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.50 2rkx n ILE 42 Cb 0.65 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 2rkx n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rkx n GLY 43 N 1.24 1.00 3.77 3.28 0.00 -1.14 -4.30 105.19 109.03 2rkx n GLY 43 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2rkx n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkx s ILE 44 N -2.00 2.42 0.01 -0.61 -1.09 -0.74 -4.96 121.20 114.23 2rkx s ILE 44 Ca 0.00 0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 58.80 2rkx s ILE 44 Cb 0.00 -3.25 -0.27 0.00 -1.58 0.00 0.00 42.46 37.36 2rkx s ILE 44 CO 0.00 0.08 0.86 0.44 -1.23 0.00 0.00 174.94 175.09 2rkx h ASP 45 N 2.91 0.37 -5.08 3.58 3.32 -1.44 -3.43 116.42 116.64 2rkx h ASP 45 Ca -0.50 -0.51 -0.08 0.00 0.02 0.00 0.00 57.03 55.96 2rkx h ASP 45 Cb 1.24 -0.12 -0.15 0.00 0.22 0.00 0.00 39.33 40.52 2rkx h ASP 45 CO 0.64 1.42 -0.24 -1.61 -1.72 0.00 0.00 179.24 177.73 2rkx s GLU 46 N -2.62 0.88 0.18 3.56 2.02 -1.23 -4.21 118.70 117.28 2rkx s GLU 46 Ca -0.09 -0.66 0.07 0.00 0.02 0.00 0.00 54.97 54.31 2rkx s GLU 46 Cb 0.07 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.64 2rkx s GLU 46 CO 0.85 -0.30 0.05 -0.51 0.02 0.00 0.00 175.26 175.37 2rkx s LEU 47 N -2.42 3.47 -0.06 1.80 1.43 -0.71 -2.30 118.68 119.88 2rkx s LEU 47 Ca -0.01 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2rkx s LEU 47 Cb 0.01 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2rkx s LEU 47 CO -0.07 0.07 -0.03 -0.55 0.23 0.00 0.00 176.35 175.99 2rkx s SER 48 N -3.11 1.23 -0.16 2.29 0.15 -0.03 -1.78 113.70 112.31 2rkx s SER 48 Ca 0.29 -0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 2rkx s SER 48 Cb -0.09 -0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 2rkx s SER 48 CO 0.20 -0.10 -0.04 -0.36 1.20 0.00 0.00 173.24 174.14 2rkx s PHE 49 N 1.27 3.00 -0.24 3.44 0.08 -0.20 0.50 117.98 125.83 2rkx s PHE 49 Ca -0.05 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.66 2rkx s PHE 49 Cb -0.14 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2rkx s PHE 49 CO -0.02 -0.08 -0.11 -0.46 -0.10 0.00 0.00 175.22 174.45 2rkx s TRP 50 N 0.44 3.00 -0.19 0.36 -0.11 0.46 -1.30 118.94 121.60 2rkx s TRP 50 Ca -0.04 -2.10 -0.15 0.00 1.22 0.00 0.00 56.10 55.03 2rkx s TRP 50 Cb -0.14 -1.84 -0.04 0.00 -1.50 0.00 0.00 33.47 29.94 2rkx s TRP 50 CO 0.03 -0.84 0.36 0.34 -4.62 0.00 0.00 176.95 172.22 2rkx s ASP 51 N 1.19 6.43 -0.17 5.86 2.15 0.85 -0.88 116.67 132.11 2rkx s ASP 51 Ca -0.06 0.50 0.16 0.00 0.43 0.00 0.00 52.55 53.58 2rkx s ASP 51 Cb -0.19 -2.22 0.37 0.00 -0.30 0.00 0.00 42.92 40.59 2rkx s ASP 51 CO -0.06 -0.03 1.23 2.30 -0.17 0.00 0.00 175.17 178.44 2rkx n ILE 52 N 4.14 2.08 -1.59 4.11 -5.35 -0.18 -3.77 119.36 118.79 2rkx n ILE 52 Ca -0.09 -2.53 -0.39 0.00 -0.27 0.00 0.00 62.75 59.47 2rkx n ILE 52 Cb 0.51 -0.25 0.04 0.00 -1.74 0.00 0.00 39.64 38.20 2rkx n ILE 52 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2rkx n THR 53 N -1.22 3.08 -3.46 7.28 -1.04 -1.26 -4.92 114.28 112.75 2rkx n THR 53 Ca 0.19 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.27 2rkx n THR 53 Cb 0.72 -1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 68.08 2rkx n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rkx s ALA 54 N -1.47 3.74 0.00 2.41 0.00 -1.26 -4.77 121.76 120.42 2rkx s ALA 54 Ca 0.71 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 49.67 2rkx s ALA 54 Cb -0.46 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2rkx s ALA 54 CO 0.51 -2.11 0.00 -1.13 0.00 0.00 0.00 175.76 173.03 2rkx n SER 55 N 4.31 0.00 0.00 0.00 3.41 -1.26 -3.55 113.62 116.53 2rkx n SER 55 Ca 0.03 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.72 2rkx n SER 55 Cb 0.42 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.75 2rkx n SER 55 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2rkx n VAL 56 N 0.00 0.78 0.18 -3.33 0.24 -1.26 -4.87 118.33 110.07 2rkx n VAL 56 Ca 0.00 0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.61 2rkx n VAL 56 Cb 0.00 -0.91 0.12 0.00 -1.47 0.00 0.00 33.84 31.58 2rkx n VAL 56 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2rkx h GLU 57 N 0.00 0.00 -0.12 7.34 4.39 -1.96 -3.42 114.58 120.82 2rkx h GLU 57 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2rkx h GLU 57 Cb 0.26 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 2rkx h GLU 57 CO 0.00 0.01 -0.44 -0.22 -1.16 0.00 0.00 179.01 177.19 2rkx h LYS 58 N 0.00 -0.50 -0.58 2.33 3.64 -1.86 -0.17 116.57 119.43 2rkx h LYS 58 Ca -0.00 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2rkx h LYS 58 Cb 1.01 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 2rkx h LYS 58 CO 0.00 -0.34 0.26 -0.09 -2.27 0.00 0.00 179.45 177.01 2rkx h ARG 59 N -0.52 0.47 -0.17 1.90 2.43 -1.97 0.09 114.38 116.59 2rkx h ARG 59 Ca 0.06 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 2rkx h ARG 59 Cb 0.64 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2rkx h ARG 59 CO -0.40 0.31 -0.73 -0.22 -1.51 0.00 0.00 179.97 177.42 2rkx h LYS 60 N 0.48 0.77 -0.74 0.20 3.64 -1.78 -2.76 116.57 116.39 2rkx h LYS 60 Ca 0.27 -0.60 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 2rkx h LYS 60 Cb 0.26 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2rkx h LYS 60 CO -0.23 1.21 0.31 1.15 -2.27 0.00 0.00 179.45 179.63 2rkx h THR 61 N 0.54 1.25 -0.24 1.00 2.02 -0.57 -1.63 112.91 115.28 2rkx h THR 61 Ca -0.04 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.27 2rkx h THR 61 Cb 1.35 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2rkx h THR 61 CO 0.15 0.31 -0.35 0.24 0.37 0.00 0.00 175.52 176.24 2rkx h MET 62 N 1.07 0.67 -0.72 6.66 2.86 -0.99 0.34 114.93 124.82 2rkx h MET 62 Ca 0.25 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2rkx h MET 62 Cb 0.18 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2rkx h MET 62 CO -0.02 1.01 0.36 -0.07 1.06 0.00 0.00 176.91 179.24 2rkx h LEU 63 N 0.38 0.94 -0.26 1.22 3.38 -1.44 -1.40 115.31 118.12 2rkx h LEU 63 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2rkx h LEU 63 Cb 0.93 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2rkx h LEU 63 CO 0.08 0.80 0.12 -0.08 0.09 0.00 0.00 178.44 179.45 2rkx h GLU 64 N 1.01 0.38 -0.24 1.13 4.81 -1.25 -1.37 114.58 119.05 2rkx h GLU 64 Ca 0.25 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 2rkx h GLU 64 Cb 0.10 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2rkx h GLU 64 CO -0.03 0.39 -0.09 1.25 -0.73 0.00 0.00 179.01 179.80 2rkx h LEU 65 N 0.29 -0.30 -0.92 1.64 5.85 -0.73 -1.53 115.31 119.61 2rkx h LEU 65 Ca 0.09 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 2rkx h LEU 65 Cb 0.14 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2rkx h LEU 65 CO -0.01 -0.12 -0.13 -0.37 -0.34 0.00 0.00 178.44 177.48 2rkx h VAL 66 N -0.04 1.25 0.22 1.05 -1.51 -1.09 0.08 116.25 116.21 2rkx h VAL 66 Ca 0.12 -1.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.45 2rkx h VAL 66 Cb 0.23 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 2rkx h VAL 66 CO -0.27 0.38 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.26 2rkx h GLU 67 N 0.59 -0.29 -0.58 5.19 4.81 -1.02 -1.48 114.58 121.81 2rkx h GLU 67 Ca 0.10 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2rkx h GLU 67 Cb 0.56 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 2rkx h GLU 67 CO 0.04 -0.15 0.29 0.87 -0.73 0.00 0.00 179.01 179.33 2rkx h LYS 68 N -0.36 0.82 -0.47 1.92 1.57 -1.00 -2.51 116.57 116.55 2rkx h LYS 68 Ca -0.03 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2rkx h LYS 68 Cb 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2rkx h LYS 68 CO 0.05 0.66 0.27 0.28 -0.57 0.00 0.00 179.45 180.13 2rkx h VAL 69 N 0.78 1.16 -0.06 0.50 2.07 -0.94 -2.97 116.25 116.78 2rkx h VAL 69 Ca 0.20 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2rkx h VAL 69 Cb 0.09 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2rkx h VAL 69 CO -0.03 0.16 -0.40 0.00 0.02 0.00 0.00 177.57 177.33 2rkx h ALA 70 N 1.11 1.24 -0.64 1.67 0.00 -1.18 -1.13 119.26 120.34 2rkx h ALA 70 Ca 0.17 -0.38 0.13 0.00 0.00 0.00 0.00 54.91 54.83 2rkx h ALA 70 Cb 0.03 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 2rkx h ALA 70 CO -0.03 0.54 0.03 0.93 0.00 0.00 0.00 179.25 180.72 2rkx h GLU 71 N 0.10 0.13 0.00 0.00 5.08 -1.30 -3.35 114.58 115.25 2rkx h GLU 71 Ca 0.01 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2rkx h GLU 71 Cb 0.75 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2rkx h GLU 71 CO 0.06 0.09 -1.73 1.04 -1.00 0.00 0.00 179.01 177.46 2rkx n GLN 72 N -5.26 0.64 -4.39 2.33 1.13 -0.73 -4.98 117.38 106.12 2rkx n GLN 72 Ca 0.10 0.04 -0.26 0.00 -1.94 0.00 0.00 57.00 54.94 2rkx n GLN 72 Cb 0.37 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 28.95 2rkx n GLN 72 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2rkx s ILE 73 N -3.07 2.70 -0.07 5.09 -4.36 -0.51 -4.90 121.20 116.08 2rkx s ILE 73 Ca -0.06 -2.01 0.13 0.00 -0.26 0.00 0.00 60.65 58.45 2rkx s ILE 73 Cb 0.10 -2.35 -0.19 0.00 1.25 0.00 0.00 42.46 41.28 2rkx s ILE 73 CO 0.84 -0.20 0.18 0.47 0.24 0.00 0.00 174.94 176.47 2rkx n ASP 74 N -0.09 1.89 -4.87 4.36 8.00 -1.26 -4.79 116.55 119.80 2rkx n ASP 74 Ca -0.10 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.09 2rkx n ASP 74 Cb 0.57 1.25 -0.01 0.00 -0.02 0.00 0.00 41.12 42.90 2rkx n ASP 74 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2rkx s ILE 75 N -2.65 4.69 0.39 0.53 -4.36 -1.26 -5.01 121.20 113.53 2rkx s ILE 75 Ca -0.06 0.85 -0.26 0.00 -0.26 0.00 0.00 60.65 60.92 2rkx s ILE 75 Cb 0.06 -3.79 -0.11 0.00 1.25 0.00 0.00 42.46 39.87 2rkx s ILE 75 CO 0.54 -0.83 1.24 -2.65 0.24 0.00 0.00 174.94 173.48 2rkx n PRO 76 N -1.99 1.90 -4.07 0.37 -0.02 -1.26 -4.85 135.00 125.08 2rkx n PRO 76 Ca 0.05 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 2rkx n PRO 76 Cb 0.54 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 2rkx n PRO 76 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2rkx s PHE 77 N -1.17 0.67 0.02 6.00 -0.12 -1.26 -1.73 117.98 120.39 2rkx s PHE 77 Ca 0.59 -0.47 0.04 0.00 -0.05 0.00 0.00 56.93 57.04 2rkx s PHE 77 Cb -0.54 -0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.41 2rkx s PHE 77 CO 0.59 -0.07 -0.06 0.99 -0.05 0.00 0.00 175.22 176.62 2rkx s THR 78 N -1.28 3.69 0.07 -4.49 2.01 -0.73 -1.22 115.64 113.68 2rkx s THR 78 Ca -0.09 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.16 2rkx s THR 78 Cb -0.09 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 2rkx s THR 78 CO 0.00 0.33 -0.23 0.54 -0.69 0.00 0.00 174.62 174.58 2rkx s VAL 79 N -1.06 1.84 0.31 3.82 0.11 -0.83 -1.04 120.40 123.54 2rkx s VAL 79 Ca 0.19 -1.37 -0.16 0.00 -2.93 0.00 0.00 61.98 57.71 2rkx s VAL 79 Cb -0.11 -1.61 0.06 0.00 -1.53 0.00 0.00 36.38 33.19 2rkx s VAL 79 CO 0.09 0.17 0.81 0.61 -3.33 0.00 0.00 175.10 173.46 2rkx n GLY 80 N 1.58 0.91 0.00 6.54 0.00 -0.42 -0.39 105.19 113.42 2rkx n GLY 80 Ca -0.18 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2rkx n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkx n GLY 81 N -0.56 5.09 2.14 -0.02 0.00 -1.25 -0.10 105.19 110.49 2rkx n GLY 81 Ca -0.06 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 2rkx n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkx n GLY 82 N 3.09 0.48 3.60 -0.02 0.00 -1.26 -4.68 105.19 106.39 2rkx n GLY 82 Ca 0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2rkx n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkx s ILE 83 N -1.92 4.28 -0.23 -0.61 1.01 -1.26 -4.87 121.20 117.60 2rkx s ILE 83 Ca 0.00 1.22 0.06 0.00 0.00 0.00 0.00 60.65 61.94 2rkx s ILE 83 Cb 0.00 -4.56 -0.08 0.00 0.01 0.00 0.00 42.46 37.84 2rkx s ILE 83 CO 0.00 -0.92 0.24 1.41 0.00 0.00 0.00 174.94 175.67 2rkx n HIS 84 N 7.62 0.00 -3.97 3.97 8.25 -1.26 -4.58 115.22 125.25 2rkx n HIS 84 Ca 0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.48 2rkx n HIS 84 Cb 0.49 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 2rkx n HIS 84 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2rkx s ASP 85 N -1.86 -0.10 0.14 0.41 1.47 -1.26 -4.92 116.67 110.54 2rkx s ASP 85 Ca 0.01 -0.88 -0.18 0.00 1.18 0.00 0.00 52.55 52.68 2rkx s ASP 85 Cb 0.05 0.62 -0.03 0.00 -0.34 0.00 0.00 42.92 43.22 2rkx s ASP 85 CO 0.26 -1.19 1.79 0.15 0.68 0.00 0.00 175.17 176.86 2rkx h PHE 86 N 2.20 0.39 -0.84 2.11 3.57 -1.97 -2.54 116.94 119.88 2rkx h PHE 86 Ca -0.25 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.36 2rkx h PHE 86 Cb 1.25 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.78 2rkx h PHE 86 CO 0.43 0.26 0.47 1.49 -2.23 0.00 0.00 178.31 178.74 2rkx h GLU 87 N 0.41 0.75 -0.10 1.11 4.81 -1.98 0.25 114.58 119.83 2rkx h GLU 87 Ca 0.11 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2rkx h GLU 87 Cb -0.03 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2rkx h GLU 87 CO -0.02 0.50 -0.05 1.15 -0.73 0.00 0.00 179.01 179.86 2rkx h THR 88 N 0.78 1.32 -0.47 0.32 2.02 -1.96 -2.15 112.91 112.76 2rkx h THR 88 Ca 0.41 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.56 2rkx h THR 88 Cb 0.41 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 2rkx h THR 88 CO -0.26 0.30 0.26 0.00 0.37 0.00 0.00 175.52 176.19 2rkx h ALA 89 N 0.65 0.60 0.10 6.16 0.00 -1.01 -2.75 119.26 123.01 2rkx h ALA 89 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rkx h ALA 89 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2rkx h ALA 89 CO 0.01 -0.07 -0.05 1.03 0.00 0.00 0.00 179.25 180.18 2rkx h SER 90 N 0.51 -0.11 -0.79 0.00 0.87 -0.50 -1.23 113.55 112.30 2rkx h SER 90 Ca 0.20 -0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 2rkx h SER 90 Cb 0.07 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 2rkx h SER 90 CO -0.12 -0.04 0.52 -0.33 -0.53 0.00 0.00 176.83 176.33 2rkx h GLU 91 N -0.17 0.79 -0.35 2.24 4.39 -1.38 0.42 114.58 120.52 2rkx h GLU 91 Ca -0.01 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 2rkx h GLU 91 Cb 0.14 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2rkx h GLU 91 CO 0.02 0.52 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.01 2rkx h LEU 92 N 0.81 0.88 -0.16 1.33 3.38 -1.17 -0.43 115.31 119.96 2rkx h LEU 92 Ca 0.35 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2rkx h LEU 92 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2rkx h LEU 92 CO -0.13 1.15 0.03 0.40 0.09 0.00 0.00 178.44 179.99 2rkx h ILE 93 N 0.62 1.21 -0.94 1.22 2.04 -0.98 -2.18 117.51 118.49 2rkx h ILE 93 Ca 0.06 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2rkx h ILE 93 Cb 0.89 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 2rkx h ILE 93 CO 0.08 0.20 0.62 -0.07 0.00 0.00 0.00 178.15 178.98 2rkx h LEU 94 N 0.05 1.07 -0.08 1.44 3.38 -0.89 -1.61 115.31 118.67 2rkx h LEU 94 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2rkx h LEU 94 Cb 0.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2rkx h LEU 94 CO 0.00 0.77 0.00 -1.14 0.09 0.00 0.00 178.44 178.16 2rkx n ARG 95 N -4.44 0.03 0.00 1.13 3.00 -0.17 -4.84 116.66 111.36 2rkx n ARG 95 Ca 0.11 0.24 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 2rkx n ARG 95 Cb 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 30.93 2rkx n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2rkx n GLY 96 N 0.22 0.51 3.77 5.14 0.00 -0.61 -4.11 105.19 110.11 2rkx n GLY 96 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2rkx n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkx s ALA 97 N 0.00 3.32 0.13 4.61 0.00 -0.84 -4.85 121.76 124.13 2rkx s ALA 97 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.99 2rkx s ALA 97 Cb 0.00 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 2rkx s ALA 97 CO 0.00 -0.44 1.29 -0.44 0.00 0.00 0.00 175.76 176.17 2rkx h ASP 98 N 3.17 0.26 -5.10 0.00 3.32 -1.48 -3.40 116.42 113.20 2rkx h ASP 98 Ca -0.48 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.24 2rkx h ASP 98 Cb 1.22 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 2rkx h ASP 98 CO 0.65 1.11 -0.29 -0.54 -1.72 0.00 0.00 179.24 178.44 2rkx s LYS 99 N -2.97 0.85 0.11 3.56 1.02 -1.09 -4.49 119.74 116.72 2rkx s LYS 99 Ca -0.03 -0.75 0.10 0.00 0.02 0.00 0.00 55.97 55.32 2rkx s LYS 99 Cb 0.09 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.72 2rkx s LYS 99 CO 0.84 -0.28 -0.26 0.14 -0.92 0.00 0.00 175.35 174.88 2rkx s VAL 100 N -3.31 2.32 -0.19 3.17 -7.23 -0.27 -1.97 120.40 112.92 2rkx s VAL 100 Ca 0.00 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2rkx s VAL 100 Cb 0.02 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 2rkx s VAL 100 CO -0.08 0.15 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.07 2rkx s GLU 101 N -1.90 3.32 0.02 4.82 2.12 0.48 -1.55 118.70 126.01 2rkx s GLU 101 Ca 0.14 -0.67 0.06 0.00 0.36 0.00 0.00 54.97 54.86 2rkx s GLU 101 Cb -0.10 -2.83 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 2rkx s GLU 101 CO 0.06 -0.08 -0.19 0.96 -0.54 0.00 0.00 175.26 175.47 2rkx s ILE 102 N 1.11 1.52 0.00 -3.70 -4.36 -0.53 -4.45 121.20 110.79 2rkx s ILE 102 Ca 0.01 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 2rkx s ILE 102 Cb -0.14 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.26 2rkx s ILE 102 CO -0.02 0.26 0.00 -3.20 0.24 0.00 0.00 174.94 172.22 2rkx n ASN 103 N 2.16 0.00 0.00 4.36 5.15 -1.26 -1.49 115.26 124.18 2rkx n ASN 103 Ca -0.16 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.72 2rkx n ASN 103 Cb 0.54 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.74 2rkx n ASN 103 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2rkx h THR 104 N 0.00 0.87 -0.11 -0.44 2.02 -1.91 -0.53 112.91 112.80 2rkx h THR 104 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2rkx h THR 104 Cb 0.00 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2rkx h THR 104 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 2rkx h ALA 105 N 1.07 1.54 -0.24 6.16 0.00 -1.92 -1.53 119.26 124.36 2rkx h ALA 105 Ca 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2rkx h ALA 105 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rkx h ALA 105 CO -0.12 0.33 -0.00 0.00 0.00 0.00 0.00 179.25 179.46 2rkx h ALA 106 N 1.68 0.32 -0.60 0.00 0.00 -1.58 0.20 119.26 119.29 2rkx h ALA 106 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2rkx h ALA 106 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2rkx h ALA 106 CO 0.02 0.05 0.39 0.28 0.00 0.00 0.00 179.25 179.99 2rkx h VAL 107 N 0.19 1.14 0.00 0.00 2.07 -0.76 -1.35 116.25 117.53 2rkx h VAL 107 Ca 0.07 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 2rkx h VAL 107 Cb 0.41 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2rkx h VAL 107 CO 0.01 0.14 -0.55 -0.33 0.02 0.00 0.00 177.57 176.87 2rkx h GLU 108 N 0.79 0.00 -2.48 1.57 5.08 -1.26 -3.38 114.58 114.90 2rkx h GLU 108 Ca 0.22 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.00 2rkx h GLU 108 Cb -0.07 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.79 2rkx h GLU 108 CO -0.06 0.55 -0.91 1.21 -1.00 0.00 0.00 179.01 178.80 2rkx s ASN 109 N -6.49 2.17 0.64 1.42 2.47 0.71 -5.00 114.94 110.86 2rkx s ASN 109 Ca 0.03 -2.67 0.37 0.00 0.42 0.00 0.00 52.86 51.01 2rkx s ASN 109 Cb 0.09 -0.43 2.09 0.00 -1.45 0.00 0.00 41.25 41.54 2rkx s ASN 109 CO 0.74 -0.23 2.24 -0.65 -3.72 0.00 0.00 177.10 175.48 2rkx h PRO 110 N 6.27 0.00 0.00 0.43 0.11 -1.44 0.15 132.00 137.52 2rkx h PRO 110 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2rkx h PRO 110 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2rkx h PRO 110 CO 0.33 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.78 2rkx h SER 111 N 0.00 0.00 -0.82 -2.05 4.64 -1.93 -2.51 113.55 110.88 2rkx h SER 111 Ca 0.01 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2rkx h SER 111 Cb 0.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.21 2rkx h SER 111 CO -0.00 0.00 0.46 0.25 -0.87 0.00 0.00 176.83 176.67 2rkx h LEU 112 N 0.00 0.66 -0.16 5.97 5.85 -1.28 0.20 115.31 126.55 2rkx h LEU 112 Ca 0.00 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2rkx h LEU 112 Cb 0.40 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 2rkx h LEU 112 CO 0.00 0.37 -0.24 0.40 -0.34 0.00 0.00 178.44 178.63 2rkx h ILE 113 N 0.77 0.42 -0.73 4.05 2.04 -1.63 -2.07 117.51 120.36 2rkx h ILE 113 Ca 0.40 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.22 2rkx h ILE 113 Cb 0.39 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2rkx h ILE 113 CO -0.26 0.00 0.30 0.74 0.00 0.00 0.00 178.15 178.93 2rkx h THR 114 N -0.29 1.25 -0.29 -0.27 2.02 -1.32 -1.76 112.91 112.25 2rkx h THR 114 Ca 0.11 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2rkx h THR 114 Cb 0.45 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2rkx h THR 114 CO -0.32 0.31 0.14 1.56 0.37 0.00 0.00 175.52 177.58 2rkx h GLN 115 N 1.05 0.29 -0.03 6.66 4.20 -0.40 -0.67 115.11 126.21 2rkx h GLN 115 Ca 0.24 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 2rkx h GLN 115 Cb 0.20 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2rkx h GLN 115 CO -0.02 0.19 0.01 0.82 -0.67 0.00 0.00 178.83 179.16 2rkx h ILE 116 N 0.30 1.21 -0.78 2.54 2.04 -1.33 -3.03 117.51 118.46 2rkx h ILE 116 Ca 0.12 -0.62 0.12 0.00 1.00 0.00 0.00 64.86 65.48 2rkx h ILE 116 Cb 0.04 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 2rkx h ILE 116 CO -0.08 0.17 0.51 0.00 0.00 0.00 0.00 178.15 178.75 2rkx h ALA 117 N 0.76 1.92 0.00 1.87 0.00 -1.23 -0.25 119.26 122.32 2rkx h ALA 117 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2rkx h ALA 117 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2rkx h ALA 117 CO 0.00 -0.10 -0.34 0.37 0.00 0.00 0.00 179.25 179.18 2rkx h GLN 118 N 0.59 0.00 0.05 0.00 4.15 -0.99 0.21 115.11 119.11 2rkx h GLN 118 Ca 0.37 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.41 2rkx h GLN 118 Cb 0.64 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 2rkx h GLN 118 CO -0.14 0.34 -2.27 2.41 -1.93 0.00 0.00 178.83 177.24 2rkx n THR 119 N -4.13 1.60 0.54 2.39 -1.04 -0.86 -4.62 114.28 108.17 2rkx n THR 119 Ca -0.02 -0.58 0.07 0.00 -2.04 0.00 0.00 64.05 61.48 2rkx n THR 119 Cb 0.38 -1.58 0.06 0.00 -1.82 0.00 0.00 70.33 67.37 2rkx n THR 119 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2rkx n PHE 120 N -3.42 0.01 0.00 -1.42 3.72 -0.16 -5.09 117.46 111.10 2rkx n PHE 120 Ca -0.41 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 2rkx n PHE 120 Cb 1.00 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 2rkx n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rkx n GLY 121 N 0.75 -2.19 0.38 1.37 0.00 0.72 -4.14 105.19 102.09 2rkx n GLY 121 Ca 0.08 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.83 2rkx n GLY 121 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2rkx h SER 122 N 0.00 0.60 0.22 1.61 0.02 -1.77 -2.63 113.55 111.61 2rkx h SER 122 Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2rkx h SER 122 Cb 0.00 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 2rkx h SER 122 CO 0.00 0.26 -0.03 1.56 -1.14 0.00 0.00 176.83 177.48 2rkx h GLN 123 N 0.61 0.00 -0.00 3.45 7.50 -1.88 -1.38 115.11 123.41 2rkx h GLN 123 Ca 0.49 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.64 2rkx h GLN 123 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.46 2rkx h GLN 123 CO -0.24 0.03 -0.12 0.00 -1.50 0.00 0.00 178.83 176.99 2rkx n ALA 124 N -2.17 2.77 -3.70 3.87 0.00 -0.99 -4.80 120.51 115.48 2rkx n ALA 124 Ca -0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 2rkx n ALA 124 Cb 0.14 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.13 2rkx n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rkx s VAL 125 N -2.56 3.10 -0.23 0.00 1.01 -0.65 -1.11 120.40 119.96 2rkx s VAL 125 Ca 0.26 -1.72 -0.09 0.00 0.00 0.00 0.00 61.98 60.44 2rkx s VAL 125 Cb 0.20 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2rkx s VAL 125 CO 0.49 -0.39 0.11 -0.69 0.00 0.00 0.00 175.10 174.63 2rkx s VAL 126 N 1.19 4.92 -0.30 2.92 1.01 -0.60 -0.97 120.40 128.58 2rkx s VAL 126 Ca 0.02 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2rkx s VAL 126 Cb -0.21 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2rkx s VAL 126 CO -0.03 0.36 0.18 -0.69 0.00 0.00 0.00 175.10 174.93 2rkx s VAL 127 N 1.09 5.04 -0.26 2.92 1.01 -0.60 -1.46 120.40 128.15 2rkx s VAL 127 Ca 0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 2rkx s VAL 127 Cb -0.14 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2rkx s VAL 127 CO 0.04 0.15 0.96 -0.47 0.00 0.00 0.00 175.10 175.78 2rkx s TYR 128 N 1.70 3.28 -0.30 5.22 5.04 -0.55 -0.44 117.35 131.30 2rkx s TYR 128 Ca 0.06 1.25 -0.03 0.00 -2.44 0.00 0.00 57.07 55.91 2rkx s TYR 128 Cb -0.17 -3.28 0.04 0.00 0.35 0.00 0.00 41.96 38.91 2rkx s TYR 128 CO 0.09 -0.52 0.02 0.42 -1.34 0.00 0.00 175.55 174.22 2rkx s ILE 129 N 3.16 3.22 -0.22 3.14 1.01 0.52 -4.43 121.20 127.59 2rkx s ILE 129 Ca 0.40 -1.24 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 2rkx s ILE 129 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2rkx s ILE 129 CO 0.09 -0.07 0.37 0.00 0.00 0.00 0.00 174.94 175.33 2rkx s ALA 130 N 1.31 3.57 0.15 9.38 0.00 -1.26 -0.28 121.76 134.63 2rkx s ALA 130 Ca -0.03 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2rkx s ALA 130 Cb -0.19 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 2rkx s ALA 130 CO -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 175.76 175.35 2rkx s ALA 131 N 1.43 1.33 -0.04 0.00 0.00 -0.41 -0.47 121.76 123.60 2rkx s ALA 131 Ca 0.17 -1.52 -0.22 0.00 0.00 0.00 0.00 51.96 50.39 2rkx s ALA 131 Cb -0.15 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.31 2rkx s ALA 131 CO 0.08 -0.22 0.49 0.21 0.00 0.00 0.00 175.76 176.31 2rkx s LYS 132 N -3.84 0.84 0.13 0.00 2.20 -0.95 -0.87 119.74 117.26 2rkx s LYS 132 Ca 0.19 0.06 -0.31 0.00 -0.36 0.00 0.00 55.97 55.54 2rkx s LYS 132 Cb 0.05 0.39 -0.09 0.00 -1.51 0.00 0.00 37.83 36.67 2rkx s LYS 132 CO 0.01 -0.25 1.51 1.03 -0.36 0.00 0.00 175.35 177.29 2rkx s ARG 133 N -1.19 4.25 -0.12 4.03 0.52 -1.26 -0.92 118.95 124.26 2rkx s ARG 133 Ca -0.12 2.24 -0.04 0.00 -0.52 0.00 0.00 55.73 57.30 2rkx s ARG 133 Cb -0.03 -3.24 0.06 0.00 0.52 0.00 0.00 34.95 32.26 2rkx s ARG 133 CO 0.07 -0.56 0.16 0.08 0.02 0.00 0.00 175.30 175.07 2rkx s VAL 134 N 1.30 -0.25 -1.55 3.52 1.01 0.68 -4.86 120.40 120.25 2rkx s VAL 134 Ca 0.68 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 2rkx s VAL 134 Cb -0.41 -0.42 0.07 0.00 0.00 0.00 0.00 36.38 35.62 2rkx s VAL 134 CO 0.31 0.00 0.51 0.47 0.00 0.00 0.00 175.10 176.39 2rkx n ASP 135 N 5.32 -1.35 -0.63 3.32 8.00 -1.26 -1.33 116.55 128.62 2rkx n ASP 135 Ca -0.05 -1.05 -0.08 0.00 0.71 0.00 0.00 54.79 54.32 2rkx n ASP 135 Cb 0.50 -2.72 -0.04 0.00 -0.02 0.00 0.00 41.12 38.84 2rkx n ASP 135 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rkx n GLY 136 N -1.81 1.01 3.23 0.44 0.00 -1.26 -5.03 105.19 101.77 2rkx n GLY 136 Ca -0.15 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 2rkx n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rkx s GLU 137 N -2.59 1.20 -0.31 1.61 0.41 -0.44 -5.11 118.70 113.47 2rkx s GLU 137 Ca 0.00 -0.96 -0.28 0.00 -0.41 0.00 0.00 54.97 53.32 2rkx s GLU 137 Cb 0.00 -1.33 0.01 0.00 -1.78 0.00 0.00 34.13 31.04 2rkx s GLU 137 CO 0.00 0.33 1.03 -0.06 -0.49 0.00 0.00 175.26 176.07 2rkx s PHE 138 N -0.93 3.18 0.12 1.61 0.08 -1.26 -0.23 117.98 120.55 2rkx s PHE 138 Ca 0.05 1.18 0.08 0.00 0.12 0.00 0.00 56.93 58.37 2rkx s PHE 138 Cb -0.09 -3.56 -0.04 0.00 -0.57 0.00 0.00 43.02 38.76 2rkx s PHE 138 CO 0.02 -0.70 -0.15 -1.64 -0.10 0.00 0.00 175.22 172.65 2rkx s MET 139 N 3.49 1.89 -0.02 0.44 -1.94 -0.10 -1.34 119.30 121.73 2rkx s MET 139 Ca 0.43 -1.14 -0.19 0.00 -1.71 0.00 0.00 55.69 53.08 2rkx s MET 139 Cb -0.13 -2.17 -0.05 0.00 2.01 0.00 0.00 34.83 34.49 2rkx s MET 139 CO 0.14 0.49 0.55 0.08 -0.01 0.00 0.00 175.02 176.26 2rkx s VAL 140 N -1.19 4.96 -0.02 -6.03 1.01 -0.08 -2.24 120.40 116.81 2rkx s VAL 140 Ca 0.19 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.39 2rkx s VAL 140 Cb -0.11 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2rkx s VAL 140 CO 0.11 0.43 -0.22 -0.36 0.00 0.00 0.00 175.10 175.06 2rkx s PHE 141 N -0.20 2.46 0.51 5.22 0.08 0.38 -1.75 117.98 124.67 2rkx s PHE 141 Ca 0.29 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.02 2rkx s PHE 141 Cb -0.18 -1.53 -0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2rkx s PHE 141 CO 0.16 0.06 0.05 0.95 -0.10 0.00 0.00 175.22 176.33 2rkx s THR 142 N -0.68 1.27 -1.18 0.64 -4.23 0.06 -4.31 115.64 107.20 2rkx s THR 142 Ca 0.11 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2rkx s THR 142 Cb -0.10 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 2rkx s THR 142 CO -0.00 0.00 0.91 -1.22 -0.54 0.00 0.00 174.62 173.77 2rkx n TYR 143 N -1.30 -2.19 -3.81 3.99 4.01 -1.26 -1.45 117.16 115.15 2rkx n TYR 143 Ca -0.17 0.87 -0.25 0.00 -0.16 0.00 0.00 57.90 58.20 2rkx n TYR 143 Cb 0.67 -4.62 0.01 0.00 -0.31 0.00 0.00 39.34 35.09 2rkx n TYR 143 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2rkx n SER 144 N -3.12 -1.64 0.00 7.72 7.64 -1.26 -1.61 113.62 121.36 2rkx n SER 144 Ca -0.23 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2rkx n SER 144 Cb 0.65 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.40 2rkx n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rkx n GLY 145 N -1.79 0.56 0.10 0.23 0.00 -1.08 -4.90 105.19 98.31 2rkx n GLY 145 Ca -0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 2rkx n GLY 145 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rkx h LYS 146 N 1.49 0.00 -5.15 1.61 1.57 -0.54 -3.45 116.57 112.11 2rkx h LYS 146 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 2rkx h LYS 146 Cb 0.12 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.09 2rkx h LYS 146 CO 0.00 0.76 -0.86 0.21 -0.57 0.00 0.00 179.45 178.98 2rkx s LYS 147 N -2.89 3.02 -0.32 3.15 2.20 -0.53 -4.99 119.74 119.38 2rkx s LYS 147 Ca 0.02 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 2rkx s LYS 147 Cb 0.09 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 2rkx s LYS 147 CO 0.78 -0.08 1.28 1.21 -0.36 0.00 0.00 175.35 178.18 2rkx s ASN 148 N 0.98 6.68 0.26 1.43 3.84 -1.26 -0.76 114.94 126.11 2rkx s ASN 148 Ca -0.03 1.14 0.26 0.00 0.21 0.00 0.00 52.86 54.44 2rkx s ASN 148 Cb -0.15 -2.54 0.76 0.00 -0.55 0.00 0.00 41.25 38.78 2rkx s ASN 148 CO -0.06 -1.09 1.75 0.71 -2.79 0.00 0.00 177.10 175.63 2rkx h THR 149 N 5.98 0.00 0.00 -5.21 1.35 -1.72 -3.47 112.91 109.84 2rkx h THR 149 Ca -0.25 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2rkx h THR 149 Cb 1.09 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2rkx h THR 149 CO 1.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 2rkx n GLY 150 N 1.12 0.44 3.79 5.82 0.00 -1.26 -5.01 105.19 110.09 2rkx n GLY 150 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2rkx n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkx s ILE 151 N -2.07 5.21 0.21 -0.61 1.01 -1.26 -4.97 121.20 118.71 2rkx s ILE 151 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 2rkx s ILE 151 Cb 0.00 -3.65 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 2rkx s ILE 151 CO 0.00 0.49 1.17 -0.76 0.00 0.00 0.00 174.94 175.84 2rkx s LEU 152 N -0.34 4.47 0.25 2.97 1.43 -1.26 -0.90 118.68 125.30 2rkx s LEU 152 Ca 0.20 2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 55.48 2rkx s LEU 152 Cb -0.15 -3.61 0.45 0.00 0.03 0.00 0.00 46.19 42.91 2rkx s LEU 152 CO 0.08 -0.32 1.63 0.25 0.23 0.00 0.00 176.35 178.22 2rkx h LEU 153 N 4.92 -0.38 -0.46 1.79 5.85 -1.51 -1.63 115.31 123.89 2rkx h LEU 153 Ca -0.45 0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.56 2rkx h LEU 153 Cb 1.21 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 42.52 2rkx h LEU 153 CO 0.73 -0.19 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.47 2rkx h ARG 154 N 0.09 0.04 -0.36 1.25 2.43 -1.92 -1.19 114.38 114.73 2rkx h ARG 154 Ca 0.42 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.43 2rkx h ARG 154 Cb 0.75 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2rkx h ARG 154 CO -0.69 0.03 -0.42 -0.44 -1.51 0.00 0.00 179.97 176.93 2rkx h ASP 155 N 0.04 0.98 -0.24 -3.80 3.32 -1.72 -3.10 116.42 111.90 2rkx h ASP 155 Ca 0.23 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 2rkx h ASP 155 Cb 0.34 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2rkx h ASP 155 CO -0.44 1.26 -0.05 -0.25 -1.72 0.00 0.00 179.24 178.04 2rkx h TRP 156 N 0.73 0.50 -0.47 4.55 -0.00 -0.95 -2.03 115.95 118.28 2rkx h TRP 156 Ca 0.05 -0.10 0.09 0.00 -0.00 0.00 0.00 58.89 58.93 2rkx h TRP 156 Cb 1.02 -0.12 -0.09 0.00 -0.00 0.00 0.00 29.16 29.96 2rkx h TRP 156 CO 0.06 0.67 -0.13 0.28 -0.00 0.00 0.00 178.44 179.32 2rkx h VAL 157 N 0.19 0.51 -0.67 2.65 2.07 -1.29 0.25 116.25 119.96 2rkx h VAL 157 Ca 0.06 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 2rkx h VAL 157 Cb 0.50 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2rkx h VAL 157 CO 0.02 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.29 2rkx h VAL 158 N -0.02 1.26 -0.43 2.57 2.07 -1.44 -2.40 116.25 117.87 2rkx h VAL 158 Ca 0.23 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 2rkx h VAL 158 Cb 0.36 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2rkx h VAL 158 CO -0.49 0.40 0.06 -0.08 0.02 0.00 0.00 177.57 177.47 2rkx h GLU 159 N 1.04 0.72 -0.45 1.57 4.57 -0.62 -1.83 114.58 119.58 2rkx h GLU 159 Ca 0.20 -0.20 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2rkx h GLU 159 Cb 0.46 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 2rkx h GLU 159 CO 0.02 0.76 0.23 0.28 -1.18 0.00 0.00 179.01 179.11 2rkx h VAL 160 N 0.58 0.97 -0.32 0.32 2.07 -0.28 -0.54 116.25 119.05 2rkx h VAL 160 Ca 0.13 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2rkx h VAL 160 Cb 0.39 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2rkx h VAL 160 CO 0.01 0.08 0.10 -0.08 0.02 0.00 0.00 177.57 177.70 2rkx h GLU 161 N 0.45 0.50 -0.74 1.57 4.81 -1.31 -2.55 114.58 117.32 2rkx h GLU 161 Ca 0.19 -0.11 0.10 0.00 -0.13 0.00 0.00 59.36 59.41 2rkx h GLU 161 Cb 0.10 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2rkx h GLU 161 CO -0.13 0.55 0.49 -0.22 -0.73 0.00 0.00 179.01 178.96 2rkx h LYS 162 N 0.37 0.61 0.00 1.92 3.64 -0.81 -2.01 116.57 120.28 2rkx h LYS 162 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2rkx h LYS 162 Cb 0.26 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2rkx h LYS 162 CO -0.00 0.40 0.00 0.54 -2.27 0.00 0.00 179.45 178.12 2rkx n ARG 163 N -4.49 0.01 0.00 1.90 5.12 -0.26 -4.90 116.66 114.04 2rkx n ARG 163 Ca 0.12 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 2rkx n ARG 163 Cb 0.35 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 2rkx n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2rkx n GLY 164 N 0.75 1.17 3.77 -0.13 0.00 -0.76 -3.01 105.19 106.98 2rkx n GLY 164 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2rkx n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkx s ALA 165 N -2.00 2.49 -0.11 4.61 0.00 -0.97 -4.39 121.76 121.38 2rkx s ALA 165 Ca 0.00 0.59 0.20 0.00 0.00 0.00 0.00 51.96 52.75 2rkx s ALA 165 Cb 0.00 -3.33 -0.30 0.00 0.00 0.00 0.00 23.12 19.49 2rkx s ALA 165 CO 0.00 -1.23 0.29 0.41 0.00 0.00 0.00 175.76 175.23 2rkx n GLY 166 N -0.41 -1.00 3.30 0.00 0.00 -0.14 -4.81 105.19 102.14 2rkx n GLY 166 Ca 0.11 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2rkx n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rkx s GLU 167 N -3.04 0.96 -0.14 1.61 2.02 -1.10 -4.15 118.70 114.85 2rkx s GLU 167 Ca -0.09 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.35 2rkx s GLU 167 Cb 0.10 0.42 0.02 0.00 0.10 0.00 0.00 34.13 34.77 2rkx s GLU 167 CO 0.87 -0.34 -0.16 0.42 0.02 0.00 0.00 175.26 176.07 2rkx s ILE 168 N -3.12 1.64 -0.22 -1.63 1.01 -0.43 -1.56 121.20 116.89 2rkx s ILE 168 Ca -0.01 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 2rkx s ILE 168 Cb 0.01 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2rkx s ILE 168 CO -0.07 0.47 0.74 -0.69 0.00 0.00 0.00 174.94 175.39 2rkx s VAL 169 N 1.26 4.92 -0.43 2.92 1.01 0.42 -0.65 120.40 129.85 2rkx s VAL 169 Ca 0.01 1.39 -0.12 0.00 0.00 0.00 0.00 61.98 63.26 2rkx s VAL 169 Cb -0.14 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.27 2rkx s VAL 169 CO -0.08 0.02 0.30 -0.22 0.00 0.00 0.00 175.10 175.12 2rkx s LEU 170 N 2.38 5.24 -0.21 3.92 2.96 0.86 -0.35 118.68 133.48 2rkx s LEU 170 Ca 0.32 -1.34 -0.10 0.00 -0.22 0.00 0.00 54.13 52.79 2rkx s LEU 170 Cb -0.16 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2rkx s LEU 170 CO 0.09 -0.55 0.14 -0.83 -1.32 0.00 0.00 176.35 173.89 2rkx s GLY 171 N 2.18 2.03 -0.38 7.98 0.00 0.62 -1.92 107.32 117.84 2rkx s GLY 171 Ca 0.03 -0.73 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 2rkx s GLY 171 CO 0.05 0.21 0.32 -0.45 0.00 0.00 0.00 173.10 173.22 2rkx s SER 172 N 0.53 6.12 0.34 1.64 0.15 -0.91 -1.29 113.70 120.28 2rkx s SER 172 Ca 0.08 -0.60 0.09 0.00 0.70 0.00 0.00 55.95 56.22 2rkx s SER 172 Cb -0.12 -2.17 0.63 0.00 -1.71 0.00 0.00 66.02 62.65 2rkx s SER 172 CO -0.00 -0.39 1.81 0.40 1.20 0.00 0.00 173.24 176.26 2rkx h ILE 173 N 5.59 1.25 -0.35 6.45 2.04 -1.36 -0.35 117.51 130.78 2rkx h ILE 173 Ca -0.29 -1.18 0.08 0.00 1.00 0.00 0.00 64.86 64.48 2rkx h ILE 173 Cb 1.13 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 2rkx h ILE 173 CO 0.70 0.35 0.24 0.44 0.00 0.00 0.00 178.15 179.89 2rkx h ASP 174 N 0.18 0.10 0.00 1.72 3.32 -1.92 -3.28 116.42 116.53 2rkx h ASP 174 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2rkx h ASP 174 Cb 0.61 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2rkx h ASP 174 CO 0.04 0.06 -1.33 0.54 -1.72 0.00 0.00 179.24 176.84 2rkx n ARG 175 N -4.46 0.97 -1.68 3.56 5.12 -1.02 -4.94 116.66 114.20 2rkx n ARG 175 Ca 0.05 -0.08 -0.50 0.00 -1.93 0.00 0.00 57.85 55.38 2rkx n ARG 175 Cb 0.34 -1.23 -0.05 0.00 -1.16 0.00 0.00 32.46 30.36 2rkx n ARG 175 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2rkx n LEU 176 N -1.77 3.01 0.00 0.55 7.94 -0.17 -1.34 117.00 125.21 2rkx n LEU 176 Ca -0.01 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 2rkx n LEU 176 Cb 0.28 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 42.91 2rkx n LEU 176 CO 0.24 -0.26 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 2rkx n GLY 177 N 4.04 2.02 0.13 -3.96 0.00 -1.26 -4.89 105.19 101.27 2rkx n GLY 177 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 2rkx n GLY 177 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2rkx h THR 178 N 0.00 0.00 -0.48 2.61 1.35 -1.52 -3.48 112.91 111.40 2rkx h THR 178 Ca 0.00 -0.89 -0.21 0.00 -0.55 0.00 0.00 66.41 64.76 2rkx h THR 178 Cb 0.00 1.56 -0.08 0.00 -1.73 0.00 0.00 68.15 67.90 2rkx h THR 178 CO 0.00 0.00 -0.19 0.29 -0.25 0.00 0.00 175.52 175.37 2rkx n LYS 179 N -2.68 -1.73 -0.02 4.72 5.02 -1.23 -4.83 118.16 117.41 2rkx n LYS 179 Ca 0.02 0.85 0.12 0.00 -2.02 0.00 0.00 58.31 57.29 2rkx n LYS 179 Cb 0.52 -5.29 0.19 0.00 -0.02 0.00 0.00 35.03 30.43 2rkx n LYS 179 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2rkx n SER 180 N -1.18 2.74 0.00 4.39 3.41 -1.04 -4.10 113.62 117.85 2rkx n SER 180 Ca -0.10 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 2rkx n SER 180 Cb 0.59 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2rkx n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rkx n GLY 181 N 1.33 3.17 3.76 5.00 0.00 0.19 -5.01 105.19 113.63 2rkx n GLY 181 Ca 0.15 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 2rkx n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rkx s TYR 182 N -2.86 2.44 -1.15 1.61 2.02 -1.26 -4.29 117.35 113.87 2rkx s TYR 182 Ca 0.00 1.57 -0.18 0.00 -0.37 0.00 0.00 57.07 58.08 2rkx s TYR 182 Cb 0.00 -3.27 0.10 0.00 -0.40 0.00 0.00 41.96 38.38 2rkx s TYR 182 CO 0.00 -1.97 1.50 0.34 -1.57 0.00 0.00 175.55 173.85 2rkx s ASP 183 N -2.35 6.77 0.33 2.29 -1.08 -1.26 -4.76 116.67 116.62 2rkx s ASP 183 Ca 0.70 -2.25 0.16 0.00 -0.52 0.00 0.00 52.55 50.64 2rkx s ASP 183 Cb -0.23 -2.51 0.51 0.00 -1.46 0.00 0.00 42.92 39.23 2rkx s ASP 183 CO 0.42 -1.15 1.66 0.71 0.52 0.00 0.00 175.17 177.32 2rkx h THR 184 N 5.73 1.02 -0.39 1.71 1.35 -1.93 -2.28 112.91 118.13 2rkx h THR 184 Ca 0.31 -1.79 -0.02 0.00 -0.55 0.00 0.00 66.41 64.35 2rkx h THR 184 Cb 0.93 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 2rkx h THR 184 CO 1.35 0.45 0.15 -0.08 -0.25 0.00 0.00 175.52 177.14 2rkx h GLU 185 N 0.00 0.58 -0.54 4.72 4.81 -1.99 -0.72 114.58 121.43 2rkx h GLU 185 Ca -0.00 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2rkx h GLU 185 Cb 1.03 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 2rkx h GLU 185 CO 0.06 0.55 0.32 1.98 -0.73 0.00 0.00 179.01 181.20 2rkx h MET 186 N 0.48 0.62 -0.32 1.92 4.05 -1.86 -0.42 114.93 119.39 2rkx h MET 186 Ca 0.13 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2rkx h MET 186 Cb 0.19 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 2rkx h MET 186 CO -0.01 0.41 0.20 0.82 0.23 0.00 0.00 176.91 178.56 2rkx h ILE 187 N 0.64 1.10 -0.21 1.77 2.04 -1.29 -1.76 117.51 119.80 2rkx h ILE 187 Ca 0.22 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2rkx h ILE 187 Cb 0.04 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2rkx h ILE 187 CO -0.10 0.10 -0.14 0.03 0.00 0.00 0.00 178.15 178.03 2rkx h ARG 188 N 0.43 0.34 -0.71 2.37 3.08 -0.96 0.22 114.38 119.14 2rkx h ARG 188 Ca 0.12 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2rkx h ARG 188 Cb -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2rkx h ARG 188 CO -0.02 0.49 0.39 0.35 -1.07 0.00 0.00 179.97 180.11 2rkx h PHE 189 N 0.32 0.98 0.15 3.04 3.57 -0.71 -3.31 116.94 120.98 2rkx h PHE 189 Ca 0.06 -0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.24 2rkx h PHE 189 Cb 0.45 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.88 2rkx h PHE 189 CO 0.01 0.69 -1.43 0.28 -2.23 0.00 0.00 178.31 175.63 2rkx h VAL 190 N 0.98 1.29 -0.84 1.41 2.07 -0.50 -3.39 116.25 117.27 2rkx h VAL 190 Ca 0.25 -2.86 0.17 0.00 0.82 0.00 0.00 66.70 65.08 2rkx h VAL 190 Cb 0.03 2.88 -0.16 0.00 -1.52 0.00 0.00 31.29 32.52 2rkx h VAL 190 CO -0.04 0.85 -0.23 -0.09 0.02 0.00 0.00 177.57 178.08 2rkx h ARG 191 N 0.09 -0.01 0.00 1.57 9.65 -0.69 0.12 114.38 125.11 2rkx h ARG 191 Ca -0.21 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2rkx h ARG 191 Cb 2.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.62 2rkx h ARG 191 CO 0.20 -0.01 0.00 -0.35 2.80 0.00 0.00 179.97 182.61 2rkx n PRO 192 N -5.54 0.42 0.09 0.20 -0.04 -1.26 -3.48 135.00 125.39 2rkx n PRO 192 Ca 0.12 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2rkx n PRO 192 Cb 0.42 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.51 2rkx n PRO 192 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2rkx h LEU 193 N 0.00 0.00 -7.95 1.53 3.38 -0.99 -3.47 115.31 107.82 2rkx h LEU 193 Ca 0.00 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.66 2rkx h LEU 193 Cb 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.73 2rkx h LEU 193 CO 0.00 0.07 -0.70 0.28 0.09 0.00 0.00 178.44 178.17 2rkx s THR 194 N -3.23 0.10 -1.68 0.22 -1.32 -1.22 -4.72 115.64 103.78 2rkx s THR 194 Ca 0.04 -0.79 0.26 0.00 -1.21 0.00 0.00 61.69 59.99 2rkx s THR 194 Cb 0.12 -0.23 0.20 0.00 -1.51 0.00 0.00 72.50 71.08 2rkx s THR 194 CO 0.74 -0.43 1.49 0.35 -2.21 0.00 0.00 174.62 174.55 2rkx n THR 195 N 1.80 0.00 -2.40 5.08 -2.24 -1.26 -4.90 114.28 110.36 2rkx n THR 195 Ca -0.22 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 2rkx n THR 195 Cb 0.56 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 2rkx n THR 195 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2rkx s LEU 196 N -2.57 3.74 0.32 3.22 1.43 -1.26 -5.00 118.68 118.56 2rkx s LEU 196 Ca 0.22 1.88 -0.29 0.00 -1.03 0.00 0.00 54.13 54.90 2rkx s LEU 196 Cb 0.19 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.74 2rkx s LEU 196 CO 0.55 -0.87 1.52 -2.65 0.23 0.00 0.00 176.35 175.13 2rkx n PRO 197 N -1.29 2.59 -4.14 1.29 -0.02 -1.26 -4.86 135.00 127.31 2rkx n PRO 197 Ca 0.09 0.92 -0.34 0.00 -2.02 0.00 0.00 63.50 62.14 2rkx n PRO 197 Cb 0.53 -2.65 -0.14 0.00 -0.02 0.00 0.00 33.50 31.21 2rkx n PRO 197 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2rkx s ILE 198 N -0.44 3.17 -0.26 4.25 1.01 -1.26 -1.31 121.20 126.36 2rkx s ILE 198 Ca 0.60 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 2rkx s ILE 198 Cb -0.51 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2rkx s ILE 198 CO 0.54 0.46 0.15 -0.63 0.00 0.00 0.00 174.94 175.46 2rkx s ILE 199 N 1.17 5.06 0.20 2.92 1.01 0.17 -0.48 121.20 131.25 2rkx s ILE 199 Ca 0.02 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 2rkx s ILE 199 Cb -0.14 -3.38 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 2rkx s ILE 199 CO -0.02 0.30 0.96 0.00 0.00 0.00 0.00 174.94 176.18 2rkx s ALA 200 N 1.49 3.31 -0.09 9.38 0.00 -0.32 -0.10 121.76 135.43 2rkx s ALA 200 Ca 0.07 0.63 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 2rkx s ALA 200 Cb -0.15 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.76 2rkx s ALA 200 CO 0.07 0.10 0.22 -1.58 0.00 0.00 0.00 175.76 174.57 2rkx s HIS 201 N -0.76 -0.28 0.00 0.00 5.04 -0.81 -1.16 115.29 117.32 2rkx s HIS 201 Ca 0.43 0.68 0.00 0.00 -1.54 0.00 0.00 55.06 54.63 2rkx s HIS 201 Cb -0.26 0.03 0.00 0.00 0.04 0.00 0.00 32.58 32.40 2rkx s HIS 201 CO 0.32 -0.19 0.00 0.41 -2.34 0.00 0.00 174.74 172.94 2rkx n GLY 202 N 3.90 1.42 0.00 1.59 0.00 -1.26 -2.14 105.19 108.70 2rkx n GLY 202 Ca -0.22 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2rkx n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkx n GLY 203 N 1.91 1.73 3.73 -0.02 0.00 -1.18 -4.07 105.19 107.28 2rkx n GLY 203 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2rkx n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkx n ALA 204 N -0.15 2.59 0.00 4.61 0.00 -1.26 0.56 120.51 126.86 2rkx n ALA 204 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2rkx n ALA 204 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 16.97 2rkx n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkx n GLY 205 N 2.74 0.00 3.66 0.00 0.00 -1.26 -4.24 105.19 106.09 2rkx n GLY 205 Ca 0.11 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 2rkx n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rkx s LYS 206 N -1.00 1.61 0.32 1.61 -2.85 -1.26 -4.89 119.74 113.28 2rkx s LYS 206 Ca 0.00 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 2rkx s LYS 206 Cb 0.00 0.51 0.54 0.00 -2.06 0.00 0.00 37.83 36.82 2rkx s LYS 206 CO 0.00 -0.69 1.97 0.52 0.10 0.00 0.00 175.35 177.25 2rkx h MET 207 N 2.19 0.91 -0.62 1.78 2.86 -1.99 -2.59 114.93 117.46 2rkx h MET 207 Ca -0.24 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 2rkx h MET 207 Cb 1.25 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 2rkx h MET 207 CO 0.32 0.63 0.41 0.93 1.06 0.00 0.00 176.91 180.27 2rkx h GLU 208 N 0.93 0.62 -0.86 1.72 3.07 -1.99 -2.45 114.58 115.62 2rkx h GLU 208 Ca 0.24 -0.04 0.12 0.00 -0.50 0.00 0.00 59.36 59.19 2rkx h GLU 208 Cb -0.05 -0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 27.64 2rkx h GLU 208 CO -0.05 0.41 0.48 0.45 -1.40 0.00 0.00 179.01 178.90 2rkx h HIS 209 N 0.64 0.85 -0.29 4.33 3.86 -1.89 -1.39 115.15 121.28 2rkx h HIS 209 Ca 0.26 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2rkx h HIS 209 Cb 0.22 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2rkx h HIS 209 CO -0.00 0.28 0.16 0.74 0.86 0.00 0.00 177.93 179.96 2rkx h PHE 210 N 0.73 0.40 -0.40 2.45 0.04 -1.56 -0.79 116.94 117.81 2rkx h PHE 210 Ca 0.44 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.24 2rkx h PHE 210 Cb 0.53 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 2rkx h PHE 210 CO -0.07 0.33 0.18 1.25 -0.60 0.00 0.00 178.31 179.40 2rkx h LEU 211 N 0.35 0.24 -0.76 1.54 5.85 -1.43 -1.18 115.31 119.91 2rkx h LEU 211 Ca 0.10 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2rkx h LEU 211 Cb 0.07 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2rkx h LEU 211 CO -0.02 0.18 0.47 -0.33 -0.34 0.00 0.00 178.44 178.40 2rkx h GLU 212 N 0.36 0.87 -0.59 1.25 5.08 -1.09 -1.59 114.58 118.87 2rkx h GLU 212 Ca 0.17 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2rkx h GLU 212 Cb 0.11 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2rkx h GLU 212 CO -0.14 0.58 0.05 0.00 -1.00 0.00 0.00 179.01 178.49 2rkx h ALA 213 N 1.35 0.96 -0.13 3.43 0.00 -0.74 -2.09 119.26 122.05 2rkx h ALA 213 Ca 0.32 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2rkx h ALA 213 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2rkx h ALA 213 CO -0.14 0.64 -0.51 0.74 0.00 0.00 0.00 179.25 179.98 2rkx h PHE 214 N 0.93 0.41 -0.35 0.00 0.04 -0.76 -2.19 116.94 115.02 2rkx h PHE 214 Ca 0.18 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 2rkx h PHE 214 Cb 0.47 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2rkx h PHE 214 CO 0.03 0.78 -0.01 -0.07 -0.60 0.00 0.00 178.31 178.44 2rkx h LEU 215 N 0.27 0.52 -1.34 1.54 3.38 -1.09 -2.32 115.31 116.27 2rkx h LEU 215 Ca 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2rkx h LEU 215 Cb 0.99 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2rkx h LEU 215 CO 0.08 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2rkx h ALA 216 N 1.46 1.00 0.00 1.53 0.00 -1.08 -3.46 119.26 118.71 2rkx h ALA 216 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2rkx h ALA 216 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2rkx h ALA 216 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2rkx n GLY 217 N -0.23 1.03 3.77 0.00 0.00 -0.87 -3.96 105.19 104.93 2rkx n GLY 217 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2rkx n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkx s ALA 218 N -2.00 3.33 -0.40 4.61 0.00 -0.85 -4.78 121.76 121.66 2rkx s ALA 218 Ca 0.00 1.33 0.23 0.00 0.00 0.00 0.00 51.96 53.52 2rkx s ALA 218 Cb 0.00 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 19.73 2rkx s ALA 218 CO 0.00 -0.90 1.16 -0.44 0.00 0.00 0.00 175.76 175.57 2rkx h ASP 219 N 2.74 0.00 -5.04 0.00 3.32 -1.12 -3.42 116.42 112.91 2rkx h ASP 219 Ca -0.50 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 2rkx h ASP 219 Cb 1.25 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.68 2rkx h ASP 219 CO 0.63 0.05 0.10 0.00 -1.72 0.00 0.00 179.24 178.29 2rkx s ALA 220 N -3.28 -1.27 -0.03 3.45 0.00 -0.99 -2.11 121.76 117.52 2rkx s ALA 220 Ca 0.02 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.17 2rkx s ALA 220 Cb 0.11 0.82 0.02 0.00 0.00 0.00 0.00 23.12 24.07 2rkx s ALA 220 CO 0.76 -0.75 -0.01 0.00 0.00 0.00 0.00 175.76 175.76 2rkx s ALA 221 N -3.79 0.36 -0.02 0.00 0.00 -0.34 -1.18 121.76 116.79 2rkx s ALA 221 Ca 0.03 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2rkx s ALA 221 Cb -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2rkx s ALA 221 CO -0.10 -0.04 -0.08 0.21 0.00 0.00 0.00 175.76 175.74 2rkx s LYS 222 N 0.87 2.56 0.17 0.00 2.20 -0.31 -0.43 119.74 124.80 2rkx s LYS 222 Ca -0.09 -0.70 -0.15 0.00 -0.36 0.00 0.00 55.97 54.67 2rkx s LYS 222 Cb -0.12 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 33.73 2rkx s LYS 222 CO -0.01 0.61 0.42 0.00 -0.36 0.00 0.00 175.35 176.02 2rkx s ALA 223 N -0.92 -0.69 0.00 3.13 0.00 -0.79 -4.46 121.76 118.03 2rkx s ALA 223 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2rkx s ALA 223 Cb -0.11 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2rkx s ALA 223 CO 0.05 -0.72 0.00 -1.71 0.00 0.00 0.00 175.76 173.39 2rkx n ASN 224 N -0.27 0.00 0.15 0.00 5.15 -1.26 -0.83 115.26 118.20 2rkx n ASN 224 Ca -0.11 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 53.93 2rkx n ASN 224 Cb 0.63 0.00 0.54 0.00 -0.53 0.00 0.00 39.78 40.42 2rkx n ASN 224 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2rkx h SER 225 N 0.00 0.20 -0.44 1.20 4.64 -1.96 -1.83 113.55 115.35 2rkx h SER 225 Ca 0.00 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 2rkx h SER 225 Cb 0.00 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2rkx h SER 225 CO 0.00 0.16 0.29 -0.37 -0.87 0.00 0.00 176.83 176.04 2rkx h VAL 226 N 0.23 0.98 0.01 0.95 -1.51 -1.92 0.14 116.25 115.13 2rkx h VAL 226 Ca 0.06 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2rkx h VAL 226 Cb 0.00 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 2rkx h VAL 226 CO -0.01 0.07 -0.00 -0.26 -1.23 0.00 0.00 177.57 176.14 2rkx h PHE 227 N 0.39 -0.01 -0.36 5.19 0.04 -1.57 0.16 116.94 120.79 2rkx h PHE 227 Ca 0.19 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.87 2rkx h PHE 227 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2rkx h PHE 227 CO -0.00 0.77 -0.13 0.45 -0.60 0.00 0.00 178.31 178.80 2rkx h HIS 228 N -0.97 0.69 -0.49 -0.55 3.86 -1.15 -0.89 115.15 115.65 2rkx h HIS 228 Ca -0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2rkx h HIS 228 Cb 0.79 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2rkx h HIS 228 CO 0.22 0.73 0.00 1.19 0.86 0.00 0.00 177.93 180.93 2rkx n PHE 229 N -4.17 0.74 -2.88 2.45 3.72 0.45 -0.88 117.46 116.89 2rkx n PHE 229 Ca 0.01 -0.35 -0.20 0.00 -0.05 0.00 0.00 57.45 56.86 2rkx n PHE 229 Cb 0.35 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 2rkx n PHE 229 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2rkx n ARG 230 N 0.91 -3.45 0.23 -1.08 1.74 -0.34 -4.87 116.66 109.79 2rkx n ARG 230 Ca 0.17 0.77 0.11 0.00 -0.77 0.00 0.00 57.85 58.12 2rkx n ARG 230 Cb 0.47 -5.51 0.47 0.00 -1.02 0.00 0.00 32.46 26.87 2rkx n ARG 230 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2rkx h GLU 231 N -0.77 0.00 -3.96 5.56 5.08 -1.02 -3.42 114.58 116.05 2rkx h GLU 231 Ca -0.45 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.47 2rkx h GLU 231 Cb 1.32 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.21 2rkx h GLU 231 CO 0.52 0.20 -0.78 0.42 -1.00 0.00 0.00 179.01 178.38 2rkx s ILE 232 N -3.64 0.57 -0.01 3.13 1.01 0.09 -4.96 121.20 117.39 2rkx s ILE 232 Ca 0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 2rkx s ILE 232 Cb 0.10 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 2rkx s ILE 232 CO 0.63 0.26 0.92 -0.62 0.00 0.00 0.00 174.94 176.13 2rkx s ASP 233 N 1.35 7.30 0.21 3.58 2.15 -1.26 -4.49 116.67 125.51 2rkx s ASP 233 Ca -0.04 1.57 -0.09 0.00 0.43 0.00 0.00 52.55 54.42 2rkx s ASP 233 Cb -0.13 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.11 2rkx s ASP 233 CO -0.03 -0.22 1.82 0.58 -0.17 0.00 0.00 175.17 177.16 2rkx h VAL 234 N 4.75 1.24 -0.05 1.11 2.07 -1.96 0.13 116.25 123.54 2rkx h VAL 234 Ca -0.41 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 2rkx h VAL 234 Cb 1.21 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2rkx h VAL 234 CO 0.75 0.27 -0.01 0.03 0.02 0.00 0.00 177.57 178.63 2rkx h ARG 235 N 1.09 0.09 -0.61 1.57 3.08 -1.94 -1.23 114.38 116.44 2rkx h ARG 235 Ca 0.27 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.39 2rkx h ARG 235 Cb 0.05 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 2rkx h ARG 235 CO -0.04 0.42 0.19 0.93 -1.07 0.00 0.00 179.97 180.40 2rkx h GLU 236 N -0.25 0.34 -0.28 0.04 5.08 -1.94 -0.84 114.58 116.74 2rkx h GLU 236 Ca 0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2rkx h GLU 236 Cb 0.38 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2rkx h GLU 236 CO 0.00 0.23 0.12 1.25 -1.00 0.00 0.00 179.01 179.61 2rkx h LEU 237 N 0.35 0.15 -0.83 1.33 5.85 -0.84 0.44 115.31 121.77 2rkx h LEU 237 Ca 0.31 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 2rkx h LEU 237 Cb 0.42 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2rkx h LEU 237 CO -0.34 0.12 -0.03 0.11 -0.34 0.00 0.00 178.44 177.97 2rkx h LYS 238 N 0.25 0.85 -0.23 1.25 1.57 -0.88 -0.39 116.57 118.99 2rkx h LYS 238 Ca 0.12 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2rkx h LYS 238 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2rkx h LYS 238 CO -0.11 0.87 0.04 0.93 -0.57 0.00 0.00 179.45 180.61 2rkx h GLU 239 N 0.78 0.38 -0.26 3.15 4.39 -0.69 0.02 114.58 122.34 2rkx h GLU 239 Ca 0.15 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2rkx h GLU 239 Cb 0.51 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 2rkx h GLU 239 CO 0.03 0.51 -0.20 -0.92 -1.16 0.00 0.00 179.01 177.27 2rkx h TYR 240 N 0.19 -0.51 -0.42 4.33 3.20 0.08 -0.70 116.97 123.13 2rkx h TYR 240 Ca 0.07 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 2rkx h TYR 240 Cb 0.31 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2rkx h TYR 240 CO 0.02 -0.28 0.02 -0.07 -1.64 0.00 0.00 178.16 176.21 2rkx h LEU 241 N -0.19 0.72 -0.84 2.82 3.38 -0.85 -2.55 115.31 117.80 2rkx h LEU 241 Ca 0.14 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2rkx h LEU 241 Cb 0.41 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2rkx h LEU 241 CO -0.38 0.84 0.56 0.50 0.09 0.00 0.00 178.44 180.05 2rkx h LYS 242 N 0.58 1.10 -0.70 1.13 3.64 -0.91 -0.01 116.57 121.40 2rkx h LYS 242 Ca 0.12 -0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.57 2rkx h LYS 242 Cb 0.46 -0.25 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 2rkx h LYS 242 CO 0.02 0.73 0.21 -0.22 -2.27 0.00 0.00 179.45 177.92 2rkx h LYS 243 N 1.13 0.33 -0.79 1.90 3.64 -0.73 -2.57 116.57 119.47 2rkx h LYS 243 Ca 0.31 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 2rkx h LYS 243 Cb -0.13 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.54 2rkx h LYS 243 CO -0.07 0.22 0.16 0.72 -2.27 0.00 0.00 179.45 178.21 2rkx n HIS 244 N -5.08 1.78 -0.22 1.91 8.25 -1.01 -4.90 115.22 115.95 2rkx n HIS 244 Ca 0.12 -0.85 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 2rkx n HIS 244 Cb 0.40 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2rkx n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rkx n GLY 245 N 0.08 0.63 3.70 -1.41 0.00 -0.97 -5.05 105.19 102.17 2rkx n GLY 245 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 2rkx n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rkx s VAL 246 N -2.46 4.78 -1.11 1.61 1.01 -0.04 -4.97 120.40 119.22 2rkx s VAL 246 Ca 0.00 2.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 2rkx s VAL 246 Cb 0.00 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2rkx s VAL 246 CO 0.00 0.06 1.84 0.21 0.00 0.00 0.00 175.10 177.21 2rkx s ASN 247 N 1.08 5.57 0.15 3.32 2.47 -1.26 -3.99 114.94 122.28 2rkx s ASN 247 Ca 0.50 -1.51 0.05 0.00 0.42 0.00 0.00 52.86 52.32 2rkx s ASN 247 Cb -0.20 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 36.99 2rkx s ASN 247 CO 0.22 -2.45 0.11 0.68 -3.72 0.00 0.00 177.10 171.94 2rkx s VAL 248 N 8.80 4.41 -0.32 -5.21 -7.23 -1.26 0.30 120.40 119.89 2rkx s VAL 248 Ca 0.63 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 2rkx s VAL 248 Cb -0.01 -3.23 0.01 0.00 0.56 0.00 0.00 36.38 33.71 2rkx s VAL 248 CO 0.06 -0.07 1.12 -0.60 -0.31 0.00 0.00 175.10 175.30 2rkx s ARG 249 N -2.97 4.02 0.00 4.82 3.52 -1.26 -4.96 118.95 122.12 2rkx s ARG 249 Ca 0.30 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.98 2rkx s ARG 249 Cb -0.10 -3.77 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 2rkx s ARG 249 CO 0.23 -0.97 0.47 1.28 -0.81 0.00 0.00 175.30 175.50