#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0r n ALA 2 N 0.00 0.98 -0.00 -5.12 0.00 -1.26 -4.89 120.51 110.22 2k0r n ALA 2 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 53.44 52.55 2k0r n ALA 2 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.48 2k0r n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k0r n LEU 3 N -4.38 0.04 -1.66 0.00 4.32 -1.26 -4.98 117.00 109.09 2k0r n LEU 3 Ca -0.33 0.10 -0.18 0.00 -0.02 0.00 0.00 56.01 55.58 2k0r n LEU 3 Cb 0.68 -0.51 -0.04 0.00 -1.62 0.00 0.00 43.42 41.93 2k0r n LEU 3 CO 0.12 -0.50 -0.19 -0.67 -1.22 0.00 0.00 177.39 174.93 2k0r n ASP 4 N -2.45 -5.12 -2.75 -1.43 -0.08 -1.26 -4.92 116.55 98.53 2k0r n ASP 4 Ca -0.00 0.22 -0.06 0.00 -1.51 0.00 0.00 54.79 53.44 2k0r n ASP 4 Cb 0.01 -4.19 0.02 0.00 2.34 0.00 0.00 41.12 39.31 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0r n ALA 5 N -0.18 -1.88 -1.37 -1.67 0.00 -1.26 -4.31 120.51 109.83 2k0r n ALA 5 Ca -0.19 -1.06 0.18 0.00 0.00 0.00 0.00 53.44 52.38 2k0r n ALA 5 Cb 0.62 0.76 -0.05 0.00 0.00 0.00 0.00 19.45 20.78 2k0r n ALA 5 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k0r n ASN 6 N -1.39 -8.11 -1.12 0.00 4.13 -1.26 -4.09 115.26 103.41 2k0r n ASN 6 Ca -0.06 0.66 0.05 0.00 1.68 0.00 0.00 54.58 56.91 2k0r n ASN 6 Cb 0.53 -4.26 0.22 0.00 -1.54 0.00 0.00 39.78 34.73 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2k0r n ASP 7 N -4.32 3.21 0.25 6.41 5.75 -1.26 -4.10 116.55 122.50 2k0r n ASP 7 Ca -0.00 -2.35 0.13 0.00 -0.01 0.00 0.00 54.79 52.56 2k0r n ASP 7 Cb 0.66 -0.50 0.62 0.00 -1.03 0.00 0.00 41.12 40.88 2k0r n ASP 7 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2k0r h LEU 8 N 2.33 0.00 -9.78 -2.12 4.07 -1.97 -3.44 115.31 104.41 2k0r h LEU 8 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 2k0r h LEU 8 Cb 1.08 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.76 2k0r h LEU 8 CO 0.19 0.13 -0.57 -1.48 -1.08 0.00 0.00 178.44 175.63 2k0r s LEU 9 N -6.72 3.61 0.87 1.67 0.05 -1.26 -5.12 118.68 111.79 2k0r s LEU 9 Ca -0.00 -0.37 -0.11 0.00 0.05 0.00 0.00 54.13 53.69 2k0r s LEU 9 Cb 0.11 -2.15 0.12 0.00 -2.05 0.00 0.00 46.19 42.21 2k0r s LEU 9 CO 0.59 -0.02 1.09 -2.16 -0.55 0.00 0.00 176.35 175.30 2k0r s PRO 10 N -3.73 1.44 0.00 1.48 0.04 -1.26 -4.81 135.00 128.16 2k0r s PRO 10 Ca 0.32 0.88 0.14 0.00 0.04 0.00 0.00 61.00 62.38 2k0r s PRO 10 Cb -0.08 -1.83 0.68 0.00 0.04 0.00 0.00 34.50 33.32 2k0r s PRO 10 CO 0.23 -2.13 1.43 -0.35 0.04 0.00 0.00 177.00 176.22 2k0r n PRO 11 N -3.82 0.11 -0.01 0.56 -0.04 -1.26 -1.13 135.00 129.42 2k0r n PRO 11 Ca 0.07 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.56 2k0r n PRO 11 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 2k0r n PRO 11 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0r h GLU 12 N 0.00 0.16 0.00 0.54 4.39 -1.92 -3.35 114.58 114.39 2k0r h GLU 12 Ca 0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2k0r h GLU 12 Cb 0.19 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2k0r h GLU 12 CO 0.00 1.10 -0.92 1.17 -1.16 0.00 0.00 179.01 179.20 2k0r n LYS 13 N -4.38 0.29 0.31 2.33 0.00 -1.16 -3.97 118.16 111.57 2k0r n LYS 13 Ca -0.12 0.02 0.21 0.00 0.00 0.00 0.00 58.31 58.42 2k0r n LYS 13 Cb 0.64 -1.62 1.04 0.00 0.00 0.00 0.00 35.03 35.10 2k0r n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k0r h ALA 14 N 2.54 1.00 -3.64 3.14 0.00 -1.26 -3.41 119.26 117.64 2k0r h ALA 14 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 2k0r h ALA 14 Cb 0.73 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.20 2k0r h ALA 14 CO 0.00 0.00 -0.86 -0.06 0.00 0.00 0.00 179.25 178.33 2k0r s PHE 15 N -3.98 2.17 -0.71 0.00 0.08 -1.25 -0.03 117.98 114.25 2k0r s PHE 15 Ca -0.03 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.27 2k0r s PHE 15 Cb 0.12 -1.46 0.18 0.00 -0.57 0.00 0.00 43.02 41.28 2k0r s PHE 15 CO 0.43 -0.29 0.53 0.08 -0.10 0.00 0.00 175.22 175.86 2k0r s VAL 16 N 0.21 3.40 0.32 -0.44 1.01 0.10 -4.91 120.40 120.08 2k0r s VAL 16 Ca -0.11 -3.78 -0.29 0.00 0.00 0.00 0.00 61.98 57.80 2k0r s VAL 16 Cb -0.15 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.93 2k0r s VAL 16 CO 0.05 -0.97 1.22 -2.16 0.00 0.00 0.00 175.10 173.25 2k0r s PRO 17 N -1.00 4.43 -0.06 2.72 0.04 -1.26 -1.58 135.00 138.28 2k0r s PRO 17 Ca 0.23 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 2k0r s PRO 17 Cb -0.12 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.38 2k0r s PRO 17 CO -0.10 -0.06 0.14 -2.00 0.04 0.00 0.00 177.00 175.02 2k0r s GLU 18 N -1.72 0.09 0.03 4.56 2.12 0.13 -4.91 118.70 119.01 2k0r s GLU 18 Ca 0.48 0.36 0.00 0.00 0.36 0.00 0.00 54.97 56.17 2k0r s GLU 18 Cb -0.36 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 33.81 2k0r s GLU 18 CO 0.48 -0.16 0.12 -1.17 -0.54 0.00 0.00 175.26 173.99 2k0r s LEU 19 N 1.12 4.02 -0.26 2.70 1.98 -1.05 -0.90 118.68 126.29 2k0r s LEU 19 Ca -0.09 0.15 -0.02 0.00 -2.89 0.00 0.00 54.13 51.28 2k0r s LEU 19 Cb -0.11 -2.52 0.13 0.00 0.66 0.00 0.00 46.19 44.35 2k0r s LEU 19 CO -0.06 0.22 0.31 0.00 -1.89 0.00 0.00 176.35 174.93 2k0r s ALA 20 N -1.33 -0.65 0.16 5.97 0.00 0.87 -3.30 121.76 123.47 2k0r s ALA 20 Ca 0.28 0.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 2k0r s ALA 20 Cb -0.12 -1.69 -0.07 0.00 0.00 0.00 0.00 23.12 21.24 2k0r s ALA 20 CO 0.20 -1.49 0.89 0.08 0.00 0.00 0.00 175.76 175.44 2k0r s VAL 21 N 2.42 4.36 0.37 0.00 1.01 0.66 -0.15 120.40 129.07 2k0r s VAL 21 Ca 0.10 1.94 0.01 0.00 0.00 0.00 0.00 61.98 64.03 2k0r s VAL 21 Cb -0.15 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 2k0r s VAL 21 CO -0.23 0.43 0.04 0.00 0.00 0.00 0.00 175.10 175.34 2k0r n ALA 22 N 2.11 0.38 0.18 5.51 0.00 0.11 -4.72 120.51 124.08 2k0r n ALA 22 Ca -0.01 -1.73 0.12 0.00 0.00 0.00 0.00 53.44 51.81 2k0r n ALA 22 Cb 0.48 1.02 0.02 0.00 0.00 0.00 0.00 19.45 20.97 2k0r n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 23 N -1.38 0.80 -0.45 0.00 -0.08 -1.26 -3.94 116.55 110.24 2k0r n ASP 23 Ca -0.12 0.27 0.06 0.00 -1.51 0.00 0.00 54.79 53.49 2k0r n ASP 23 Cb 0.50 0.47 0.15 0.00 2.34 0.00 0.00 41.12 44.58 2k0r n ASP 23 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2k0r n ASP 24 N -2.56 2.88 0.00 1.67 9.92 -1.26 -5.04 116.55 122.17 2k0r n ASP 24 Ca 0.00 -2.56 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 2k0r n ASP 24 Cb 0.53 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k0r n GLY 25 N -0.46 0.09 3.24 0.44 0.00 -1.25 -3.11 105.19 104.13 2k0r n GLY 25 Ca 0.13 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 2k0r n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0r s VAL 26 N -2.14 1.78 -0.09 1.61 1.01 -0.33 0.05 120.40 122.29 2k0r s VAL 26 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2k0r s VAL 26 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2k0r s VAL 26 CO 0.00 0.50 -0.22 0.21 0.00 0.00 0.00 175.10 175.59 2k0r s ASN 27 N -0.35 3.29 -0.08 3.32 3.84 0.79 0.29 114.94 126.04 2k0r s ASN 27 Ca 0.04 -0.48 0.02 0.00 0.21 0.00 0.00 52.86 52.64 2k0r s ASN 27 Cb -0.10 -1.23 0.01 0.00 -0.55 0.00 0.00 41.25 39.38 2k0r s ASN 27 CO 0.01 0.20 -0.13 0.54 -2.79 0.00 0.00 177.10 174.93 2k0r s VAL 28 N 0.12 1.24 -0.05 -5.21 0.11 -0.67 -0.09 120.40 115.84 2k0r s VAL 28 Ca -0.11 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 2k0r s VAL 28 Cb -0.16 -1.14 0.01 0.00 -1.53 0.00 0.00 36.38 33.56 2k0r s VAL 28 CO 0.06 0.38 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.48 2k0r s ARG 29 N 0.86 1.58 -0.13 1.54 3.00 -0.08 -0.20 118.95 125.51 2k0r s ARG 29 Ca -0.10 -0.46 0.00 0.00 -1.00 0.00 0.00 55.73 54.17 2k0r s ARG 29 Cb -0.15 -1.35 0.02 0.00 0.00 0.00 0.00 34.95 33.47 2k0r s ARG 29 CO 0.01 0.12 -0.12 -0.59 0.00 0.00 0.00 175.30 174.72 2k0r s PHE 30 N 0.36 1.92 -0.31 5.12 -0.71 0.34 0.19 117.98 124.88 2k0r s PHE 30 Ca -0.09 -1.03 -0.25 0.00 -1.04 0.00 0.00 56.93 54.52 2k0r s PHE 30 Cb -0.13 -1.46 0.01 0.00 -1.21 0.00 0.00 43.02 40.23 2k0r s PHE 30 CO 0.03 -0.60 0.89 1.03 -1.34 0.00 0.00 175.22 175.22 2k0r s ARG 31 N 1.52 3.99 0.05 1.99 0.52 -0.62 -3.10 118.95 123.30 2k0r s ARG 31 Ca 0.04 0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 55.93 2k0r s ARG 31 Cb -0.13 -3.73 -0.05 0.00 0.52 0.00 0.00 34.95 31.56 2k0r s ARG 31 CO -0.09 -0.76 0.30 0.42 0.02 0.00 0.00 175.30 175.19 2k0r s ILE 32 N 3.20 5.25 0.56 1.52 1.01 0.98 0.00 121.20 133.72 2k0r s ILE 32 Ca 0.37 0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 2k0r s ILE 32 Cb -0.13 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2k0r s ILE 32 CO 0.14 0.28 1.26 0.00 0.00 0.00 0.00 174.94 176.61 2k0r s ALA 33 N -1.39 2.67 0.48 9.38 0.00 0.96 -4.18 121.76 129.67 2k0r s ALA 33 Ca 0.31 1.12 0.39 0.00 0.00 0.00 0.00 51.96 53.78 2k0r s ALA 33 Cb -0.13 -3.49 2.15 0.00 0.00 0.00 0.00 23.12 21.65 2k0r s ALA 33 CO 0.19 -1.20 2.21 0.22 0.00 0.00 0.00 175.76 177.18 2k0r h ASP 34 N 1.20 0.00 -0.58 0.00 1.82 -1.75 0.89 116.42 118.00 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2k0r h ASP 34 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.80 2k0r n GLY 35 N -1.13 1.90 3.12 -0.78 0.00 -1.26 -4.62 105.19 102.42 2k0r n GLY 35 Ca -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 2k0r n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0r s TYR 36 N -1.36 0.68 -0.20 1.61 2.02 0.31 -0.71 117.35 119.69 2k0r s TYR 36 Ca 0.40 -0.92 -0.15 0.00 -0.37 0.00 0.00 57.07 56.03 2k0r s TYR 36 Cb 0.22 -0.43 0.06 0.00 -0.40 0.00 0.00 41.96 41.41 2k0r s TYR 36 CO 0.25 -0.24 0.51 1.52 -1.57 0.00 0.00 175.55 176.02 2k0r s TYR 37 N -3.45 -0.66 -0.05 2.71 -0.85 -0.01 -4.59 117.35 110.45 2k0r s TYR 37 Ca 0.06 1.47 0.04 0.00 -0.52 0.00 0.00 57.07 58.12 2k0r s TYR 37 Cb 0.04 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 2k0r s TYR 37 CO -0.06 -0.34 -0.14 -1.64 -1.52 0.00 0.00 175.55 171.85 2k0r s MET 38 N 0.84 2.50 -0.10 -3.49 -1.94 -1.05 -0.85 119.30 115.21 2k0r s MET 38 Ca -0.05 -0.69 -0.30 0.00 -1.71 0.00 0.00 55.69 52.94 2k0r s MET 38 Cb -0.05 -2.39 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 2k0r s MET 38 CO -0.07 0.62 1.09 0.71 -0.01 0.00 0.00 175.02 177.36 2k0r s TYR 39 N -0.75 3.36 0.36 -0.03 2.02 -1.15 -1.16 117.35 120.00 2k0r s TYR 39 Ca 0.12 1.43 0.13 0.00 -0.37 0.00 0.00 57.07 58.38 2k0r s TYR 39 Cb -0.11 -3.29 0.96 0.00 -0.40 0.00 0.00 41.96 39.12 2k0r s TYR 39 CO 0.01 -0.68 1.79 0.37 -1.57 0.00 0.00 175.55 175.46 2k0r h GLN 40 N 7.30 0.52 -0.11 -0.62 4.15 -0.83 0.39 115.11 125.91 2k0r h GLN 40 Ca -0.31 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 58.94 2k0r h GLN 40 Cb 1.14 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 2k0r h GLN 40 CO 0.88 0.35 -0.56 0.00 -1.93 0.00 0.00 178.83 177.57 2k0r h ALA 41 N 1.64 0.83 0.01 3.38 0.00 -1.92 -3.14 119.26 120.07 2k0r h ALA 41 Ca 0.57 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2k0r h ALA 41 Cb 1.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k0r h ALA 41 CO -0.32 0.70 -0.95 0.87 0.00 0.00 0.00 179.25 179.55 2k0r h LYS 42 N 0.27 0.34 -6.95 0.00 1.79 -0.75 -3.45 116.57 107.82 2k0r h LYS 42 Ca 0.00 -0.39 -0.53 0.00 -2.18 0.00 0.00 60.65 57.56 2k0r h LYS 42 Cb 1.06 0.11 0.08 0.00 -1.58 0.00 0.00 32.23 31.91 2k0r h LYS 42 CO 0.09 1.08 0.61 0.42 -1.08 0.00 0.00 179.45 180.57 2k0r s ILE 43 N -3.19 2.60 0.04 1.86 1.01 0.97 -4.58 121.20 119.90 2k0r s ILE 43 Ca -0.05 0.53 0.02 0.00 0.00 0.00 0.00 60.65 61.16 2k0r s ILE 43 Cb 0.09 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2k0r s ILE 43 CO 0.86 0.07 -0.08 -0.69 0.00 0.00 0.00 174.94 175.11 2k0r s VAL 44 N -1.27 0.53 -0.30 2.92 1.01 0.88 -4.94 120.40 119.23 2k0r s VAL 44 Ca 0.57 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 2k0r s VAL 44 Cb -0.38 -0.58 0.18 0.00 0.00 0.00 0.00 36.38 35.60 2k0r s VAL 44 CO 0.49 -0.30 0.96 -0.83 0.00 0.00 0.00 175.10 175.42 2k0r s GLY 45 N -1.35 -0.46 -0.01 4.51 0.00 -1.24 -0.21 107.32 108.56 2k0r s GLY 45 Ca -0.08 2.62 0.00 0.00 0.00 0.00 0.00 44.72 47.26 2k0r s GLY 45 CO 0.00 3.67 0.01 -1.59 0.00 0.00 0.00 173.10 175.19 2k0r s LYS 46 N 2.89 0.05 -0.07 2.90 0.00 -0.40 -4.82 119.74 120.28 2k0r s LYS 46 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 55.97 56.07 2k0r s LYS 46 Cb -0.11 -0.16 0.02 0.00 0.00 0.00 0.00 37.83 37.58 2k0r s LYS 46 CO -0.14 -0.06 -0.06 -0.08 0.00 0.00 0.00 175.35 175.01 2k0r s THR 47 N 0.46 0.75 -0.25 3.79 -1.32 -1.26 -0.03 115.64 117.78 2k0r s THR 47 Ca -0.04 -0.19 -0.36 0.00 -1.21 0.00 0.00 61.69 59.89 2k0r s THR 47 Cb -0.06 -0.78 0.15 0.00 -1.51 0.00 0.00 72.50 70.31 2k0r s THR 47 CO -0.01 0.30 1.32 0.54 -2.21 0.00 0.00 174.62 174.55 2k0r s ASN 48 N 1.28 -0.06 0.15 8.08 2.20 0.47 -4.50 114.94 122.55 2k0r s ASN 48 Ca -0.05 0.01 -0.10 0.00 -0.94 0.00 0.00 52.86 51.78 2k0r s ASN 48 Cb -0.14 0.06 -0.02 0.00 -2.00 0.00 0.00 41.25 39.15 2k0r s ASN 48 CO -0.02 -0.10 1.48 1.55 -2.94 0.00 0.00 177.10 177.07 2k0r h PRO 49 N 2.01 0.92 0.00 3.55 0.13 -1.83 -1.91 132.00 134.88 2k0r h PRO 49 Ca -0.05 -0.48 -0.21 0.00 -0.87 0.00 0.00 66.00 64.39 2k0r h PRO 49 Cb 1.14 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 2k0r h PRO 49 CO 0.20 1.14 -0.30 0.00 -0.23 0.00 0.00 178.00 178.81 2k0r n ALA 50 N -2.54 -0.90 -3.01 -0.56 0.00 -1.26 -4.74 120.51 107.50 2k0r n ALA 50 Ca -0.02 -1.20 -0.16 0.00 0.00 0.00 0.00 53.44 52.05 2k0r n ALA 50 Cb 0.55 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.58 2k0r n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 51 N 0.17 -4.95 0.01 0.00 -0.08 -1.26 -4.93 116.55 105.50 2k0r n ASP 51 Ca 0.01 -0.28 -0.21 0.00 -1.51 0.00 0.00 54.79 52.79 2k0r n ASP 51 Cb 0.73 -3.69 -0.14 0.00 2.34 0.00 0.00 41.12 40.36 2k0r n ASP 51 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2k0r h LEU 52 N -1.40 0.44 -9.63 -2.67 -0.00 -1.91 -3.47 115.31 96.65 2k0r h LEU 52 Ca -0.39 -0.94 -0.58 0.00 -0.00 0.00 0.00 57.88 55.97 2k0r h LEU 52 Cb 1.26 -0.14 0.15 0.00 -0.00 0.00 0.00 40.66 41.93 2k0r h LEU 52 CO 0.40 1.84 -0.02 -0.11 -0.00 0.00 0.00 178.44 180.54 2k0r n LEU 53 N -3.49 2.25 0.00 1.67 7.94 -1.26 -4.00 117.00 120.11 2k0r n LEU 53 Ca -0.31 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 2k0r n LEU 53 Cb 1.05 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.70 2k0r n LEU 53 CO 0.44 -2.06 0.00 0.61 -1.11 0.00 0.00 177.39 175.27 2k0r n GLY 54 N 1.40 -0.80 3.06 -3.96 0.00 -1.10 -4.79 105.19 99.01 2k0r n GLY 54 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2k0r n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0r s GLN 55 N 0.00 0.53 0.60 1.61 -2.07 -1.26 -5.04 119.66 114.02 2k0r s GLN 55 Ca 0.00 -1.02 -0.17 0.00 -1.82 0.00 0.00 55.36 52.34 2k0r s GLN 55 Cb 0.00 0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 2k0r s GLN 55 CO 0.00 -0.08 1.12 -1.25 -1.32 0.00 0.00 175.29 173.76 2k0r s PRO 56 N -3.09 3.09 -0.48 9.60 0.04 -1.26 -4.24 135.00 138.66 2k0r s PRO 56 Ca -0.00 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.57 2k0r s PRO 56 Cb 0.02 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.73 2k0r s PRO 56 CO -0.07 -1.04 0.33 -1.12 0.04 0.00 0.00 177.00 175.14 2k0r s SER 57 N -2.16 3.04 0.62 6.66 0.01 0.94 -4.94 113.70 117.87 2k0r s SER 57 Ca 0.70 -3.02 -0.18 0.00 1.31 0.00 0.00 55.95 54.77 2k0r s SER 57 Cb -0.22 -0.89 -0.06 0.00 0.21 0.00 0.00 66.02 65.07 2k0r s SER 57 CO 0.34 -0.20 0.71 0.49 0.41 0.00 0.00 173.24 174.99 2k0r n PHE 58 N 2.99 -0.09 1.60 2.43 3.72 -1.26 -1.12 117.46 125.73 2k0r n PHE 58 Ca 0.19 0.42 0.10 0.00 -0.05 0.00 0.00 57.45 58.11 2k0r n PHE 58 Cb 0.40 -2.02 0.47 0.00 -0.94 0.00 0.00 39.48 37.39 2k0r n PHE 58 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k0r n SER 59 N -0.27 0.87 -1.17 4.37 7.64 0.90 -4.83 113.62 121.13 2k0r n SER 59 Ca 0.12 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.44 2k0r n SER 59 Cb 0.48 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2k0r n SER 59 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k0r n LYS 60 N -0.21 -3.33 0.00 1.43 4.76 -1.26 -4.97 118.16 114.57 2k0r n LYS 60 Ca 0.15 2.49 0.00 0.00 -2.87 0.00 0.00 58.31 58.09 2k0r n LYS 60 Cb 0.21 -2.84 0.00 0.00 -1.84 0.00 0.00 35.03 30.56 2k0r n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k0r n GLY 61 N -1.07 2.88 2.81 0.72 0.00 -1.26 -4.97 105.19 104.29 2k0r n GLY 61 Ca 0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 2k0r n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0r s GLU 62 N 2.45 0.38 0.06 1.61 2.02 -0.47 -4.95 118.70 119.79 2k0r s GLU 62 Ca 0.00 0.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.78 2k0r s GLU 62 Cb 0.00 -0.60 -0.05 0.00 0.10 0.00 0.00 34.13 33.59 2k0r s GLU 62 CO 0.00 -0.17 0.94 -1.21 0.02 0.00 0.00 175.26 174.85 2k0r s GLU 63 N 1.24 4.63 0.04 1.61 2.02 -1.26 -1.29 118.70 125.68 2k0r s GLU 63 Ca -0.07 1.39 -0.08 0.00 0.02 0.00 0.00 54.97 56.23 2k0r s GLU 63 Cb -0.13 -3.41 -0.00 0.00 0.10 0.00 0.00 34.13 30.69 2k0r s GLU 63 CO -0.02 0.12 0.16 -1.59 0.02 0.00 0.00 175.26 173.96 2k0r s LYS 64 N 0.37 0.65 -0.13 1.61 0.00 -0.59 -4.97 119.74 116.68 2k0r s LYS 64 Ca 0.48 -0.65 -0.00 0.00 0.00 0.00 0.00 55.97 55.79 2k0r s LYS 64 Cb -0.22 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.86 2k0r s LYS 64 CO 0.28 -0.18 -0.12 -1.21 0.00 0.00 0.00 175.35 174.12 2k0r s GLU 65 N -2.52 3.35 0.00 1.78 8.01 -1.26 -1.45 118.70 126.61 2k0r s GLU 65 Ca -0.05 -0.67 0.00 0.00 0.01 0.00 0.00 54.97 54.25 2k0r s GLU 65 Cb -0.01 -2.64 0.00 0.00 -4.31 0.00 0.00 34.13 27.17 2k0r s GLU 65 CO -0.04 0.24 0.00 -3.47 0.01 0.00 0.00 175.26 172.01 2k0r n ASP 66 N 3.44 0.00 -0.29 -0.19 2.03 -0.52 -4.91 116.55 116.11 2k0r n ASP 66 Ca -0.18 -0.85 0.06 0.00 0.52 0.00 0.00 54.79 54.35 2k0r n ASP 66 Cb 0.53 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2k0r n ASP 66 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k0r n GLU 67 N 0.00 1.89 0.00 -0.67 0.28 -1.26 -2.46 120.64 118.41 2k0r n GLU 67 Ca 0.00 -0.70 0.14 0.00 -0.16 0.00 0.00 57.16 56.44 2k0r n GLU 67 Cb 0.00 -1.17 0.54 0.00 1.43 0.00 0.00 31.44 32.24 2k0r n GLU 67 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2k0r n PHE 68 N -0.19 0.00 0.00 -1.84 3.01 -1.26 -4.67 117.46 112.51 2k0r n PHE 68 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2k0r n PHE 68 Cb 0.27 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 2k0r n PHE 68 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 2k0r n PHE 69 N 0.01 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.69 2k0r n PHE 69 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 2k0r n PHE 69 Cb 0.34 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.34 2k0r n PHE 69 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k0r n GLY 70 N -0.42 0.21 3.43 4.97 0.00 -1.03 -4.91 105.19 107.45 2k0r n GLY 70 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 2k0r n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k0r s ARG 71 N 0.00 3.12 0.24 1.61 3.00 -1.26 -1.44 118.95 124.22 2k0r s ARG 71 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 55.73 54.66 2k0r s ARG 71 Cb 0.00 -4.17 -0.00 0.00 0.00 0.00 0.00 34.95 30.78 2k0r s ARG 71 CO 0.00 -1.47 0.48 -0.65 0.00 0.00 0.00 175.30 173.66 2k0r s GLN 72 N 3.10 1.52 0.14 3.54 -0.21 -0.53 -4.95 119.66 122.27 2k0r s GLN 72 Ca 0.17 -1.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.07 2k0r s GLN 72 Cb -0.19 0.48 -0.07 0.00 1.00 0.00 0.00 33.01 34.22 2k0r s GLN 72 CO 0.11 -0.63 0.91 0.99 -2.12 0.00 0.00 175.29 174.54 2k0r s THR 73 N -4.00 4.40 0.25 -0.19 2.01 -1.26 -1.55 115.64 115.31 2k0r s THR 73 Ca 0.20 1.98 0.01 0.00 0.31 0.00 0.00 61.69 64.19 2k0r s THR 73 Cb -0.01 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2k0r s THR 73 CO 0.07 0.39 0.21 0.68 -0.69 0.00 0.00 174.62 175.29 2k0r s VAL 74 N -0.45 0.00 -0.04 3.82 -7.23 -0.41 -0.09 120.40 116.00 2k0r s VAL 74 Ca 0.43 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 2k0r s VAL 74 Cb -0.24 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2k0r s VAL 74 CO 0.29 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.52 2k0r s TYR 75 N -3.86 2.40 -1.22 2.82 2.02 -0.31 -1.37 117.35 117.82 2k0r s TYR 75 Ca 0.38 -0.59 0.16 0.00 -0.37 0.00 0.00 57.07 56.66 2k0r s TYR 75 Cb 0.05 -1.56 -0.07 0.00 -0.40 0.00 0.00 41.96 39.98 2k0r s TYR 75 CO 0.17 -0.13 0.80 -2.39 -1.57 0.00 0.00 175.55 172.43 2k0r n HIS 76 N 2.72 0.00 0.01 2.71 1.44 -1.26 -2.52 115.22 118.32 2k0r n HIS 76 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2k0r n HIS 76 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2k0r n HIS 76 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k0r n HIS 77 N -0.63 -1.14 -3.25 -1.40 -0.00 -1.26 -4.21 115.22 103.32 2k0r n HIS 77 Ca 0.05 0.06 -0.38 0.00 -0.00 0.00 0.00 57.72 57.45 2k0r n HIS 77 Cb 0.31 0.34 -0.06 0.00 -0.00 0.00 0.00 29.99 30.59 2k0r n HIS 77 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2k0r s GLU 78 N -2.00 4.36 -0.36 1.57 -1.05 -1.26 -0.02 118.70 119.94 2k0r s GLU 78 Ca 0.00 0.54 0.05 0.00 -0.15 0.00 0.00 54.97 55.41 2k0r s GLU 78 Cb 0.00 -3.44 0.17 0.00 -0.44 0.00 0.00 34.13 30.42 2k0r s GLU 78 CO 0.00 0.13 0.49 0.00 0.95 0.00 0.00 175.26 176.82 2k0r s ALA 79 N 0.70 -1.42 0.08 -0.84 0.00 -1.18 -4.72 121.76 114.38 2k0r s ALA 79 Ca 0.28 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.20 2k0r s ALA 79 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 2k0r s ALA 79 CO 0.12 -2.05 -0.21 -1.14 0.00 0.00 0.00 175.76 172.49 2k0r s GLN 80 N 1.96 1.20 -0.01 0.00 0.74 -1.26 -0.50 119.66 121.78 2k0r s GLN 80 Ca 0.14 -1.08 0.02 0.00 0.05 0.00 0.00 55.36 54.49 2k0r s GLN 80 Cb -0.10 -1.41 -0.00 0.00 1.10 0.00 0.00 33.01 32.60 2k0r s GLN 80 CO -0.13 0.34 -0.06 0.08 -0.55 0.00 0.00 175.29 174.96 2k0r s VAL 81 N -1.04 0.53 -0.16 1.34 1.01 0.72 -0.07 120.40 122.73 2k0r s VAL 81 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 2k0r s VAL 81 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2k0r s VAL 81 CO 0.03 0.16 0.11 0.00 0.00 0.00 0.00 175.10 175.40 2k0r s ALA 82 N -0.05 3.69 -0.66 5.51 0.00 -0.28 -1.68 121.76 128.30 2k0r s ALA 82 Ca 0.01 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2k0r s ALA 82 Cb -0.04 -2.01 0.16 0.00 0.00 0.00 0.00 23.12 21.24 2k0r s ALA 82 CO -0.00 0.37 0.44 -0.06 0.00 0.00 0.00 175.76 176.51 2k0r s PHE 83 N -0.25 3.47 0.12 0.00 0.08 0.15 -0.04 117.98 121.50 2k0r s PHE 83 Ca 0.10 -3.22 -0.31 0.00 0.12 0.00 0.00 56.93 53.62 2k0r s PHE 83 Cb -0.12 -2.83 -0.08 0.00 -0.57 0.00 0.00 43.02 39.43 2k0r s PHE 83 CO 0.01 -0.65 1.35 -1.25 -0.10 0.00 0.00 175.22 174.59 2k0r s PRO 84 N -0.98 4.34 0.72 0.24 0.04 -1.26 -1.19 135.00 136.92 2k0r s PRO 84 Ca 0.22 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 2k0r s PRO 84 Cb -0.13 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.20 2k0r s PRO 84 CO -0.10 -0.38 1.19 0.71 0.04 0.00 0.00 177.00 178.46 2k0r s TYR 85 N 0.92 2.12 0.00 0.56 2.02 -1.18 -2.70 117.35 119.09 2k0r s TYR 85 Ca 0.62 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.92 2k0r s TYR 85 Cb -0.36 -3.43 0.00 0.00 -0.40 0.00 0.00 41.96 37.77 2k0r s TYR 85 CO 0.32 -2.49 0.36 0.00 -1.57 0.00 0.00 175.55 172.17 2k0r n ALA 86 N -2.71 1.56 -3.45 3.71 0.00 -1.26 -4.54 120.51 113.81 2k0r n ALA 86 Ca 0.13 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 2k0r n ALA 86 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 2k0r n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k0r s LYS 87 N -0.07 0.60 -0.26 0.00 2.47 -1.26 -4.92 119.74 116.30 2k0r s LYS 87 Ca 0.00 0.75 -0.29 0.00 -1.56 0.00 0.00 55.97 54.87 2k0r s LYS 87 Cb 0.00 0.27 0.00 0.00 -1.46 0.00 0.00 37.83 36.64 2k0r s LYS 87 CO 0.00 -0.08 1.24 0.00 0.16 0.00 0.00 175.35 176.67 2k0r s ALA 88 N 0.42 3.48 -0.15 3.13 0.00 -1.26 -5.00 121.76 122.38 2k0r s ALA 88 Ca -0.01 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.95 2k0r s ALA 88 Cb -0.04 -3.71 0.05 0.00 0.00 0.00 0.00 23.12 19.42 2k0r s ALA 88 CO -0.01 -1.53 0.47 0.14 0.00 0.00 0.00 175.76 174.83 2k0r s VAL 89 N 3.97 0.01 -0.48 0.00 -7.23 -1.26 -5.04 120.40 110.37 2k0r s VAL 89 Ca 0.54 -0.05 0.16 0.00 -1.81 0.00 0.00 61.98 60.81 2k0r s VAL 89 Cb -0.17 -0.68 0.58 0.00 0.56 0.00 0.00 36.38 36.67 2k0r s VAL 89 CO 0.19 -0.03 1.49 0.61 -0.31 0.00 0.00 175.10 177.05 2k0r n GLY 90 N 2.55 3.42 3.97 2.32 0.00 -1.26 -4.99 105.19 111.21 2k0r n GLY 90 Ca -0.15 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 2k0r n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0r s GLU 91 N -2.34 3.35 0.60 1.61 2.02 -1.26 -5.09 118.70 117.58 2k0r s GLU 91 Ca 0.43 -0.82 -0.17 0.00 0.02 0.00 0.00 54.97 54.43 2k0r s GLU 91 Cb 0.32 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 2k0r s GLU 91 CO 0.14 0.32 1.12 -1.25 0.02 0.00 0.00 175.26 175.61 2k0r s PRO 92 N -4.05 3.10 0.25 0.39 0.04 -1.26 -4.96 135.00 128.51 2k0r s PRO 92 Ca 0.37 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.95 2k0r s PRO 92 Cb -0.09 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2k0r s PRO 92 CO 0.30 -1.03 0.04 1.52 0.04 0.00 0.00 177.00 177.87 2k0r s TYR 93 N -2.03 1.55 0.06 0.56 1.13 -0.79 -4.57 117.35 113.26 2k0r s TYR 93 Ca 0.70 -1.04 0.04 0.00 -1.41 0.00 0.00 57.07 55.36 2k0r s TYR 93 Cb -0.22 -0.92 -0.04 0.00 -1.10 0.00 0.00 41.96 39.68 2k0r s TYR 93 CO 0.34 -0.18 -0.02 0.21 -2.51 0.00 0.00 175.55 173.39 2k0r s LYS 94 N -3.94 2.54 -0.06 -3.49 2.36 -0.72 -1.63 119.74 114.81 2k0r s LYS 94 Ca 0.33 -0.80 0.04 0.00 -2.55 0.00 0.00 55.97 52.98 2k0r s LYS 94 Cb 0.07 -2.53 0.00 0.00 -1.05 0.00 0.00 37.83 34.32 2k0r s LYS 94 CO 0.11 0.56 -0.17 -1.17 1.55 0.00 0.00 175.35 176.22 2k0r s LEU 95 N -2.03 1.89 -0.17 5.43 2.96 0.04 -0.40 118.68 126.39 2k0r s LEU 95 Ca 0.23 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2k0r s LEU 95 Cb -0.11 -1.03 0.03 0.00 0.50 0.00 0.00 46.19 45.58 2k0r s LEU 95 CO 0.15 0.13 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.51 2k0r s VAL 96 N 0.22 1.51 -0.04 1.68 1.01 0.96 0.14 120.40 125.88 2k0r s VAL 96 Ca -0.09 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2k0r s VAL 96 Cb -0.14 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2k0r s VAL 96 CO 0.04 0.27 -0.25 -0.76 0.00 0.00 0.00 175.10 174.39 2k0r s LEU 97 N 1.48 2.07 -0.09 3.92 1.43 0.07 -1.27 118.68 126.28 2k0r s LEU 97 Ca 0.01 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2k0r s LEU 97 Cb -0.15 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.73 2k0r s LEU 97 CO -0.09 0.27 -0.08 -0.89 0.23 0.00 0.00 176.35 175.79 2k0r s THR 98 N -0.33 0.96 -0.10 5.49 2.01 0.71 -0.02 115.64 124.36 2k0r s THR 98 Ca 0.02 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 2k0r s THR 98 Cb -0.12 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 2k0r s THR 98 CO 0.02 0.34 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.93 2k0r s TYR 99 N 1.37 2.98 -0.22 4.92 2.02 -0.01 -0.09 117.35 128.33 2k0r s TYR 99 Ca -0.02 -0.07 -0.10 0.00 -0.37 0.00 0.00 57.07 56.52 2k0r s TYR 99 Cb -0.14 -1.79 0.09 0.00 -0.40 0.00 0.00 41.96 39.72 2k0r s TYR 99 CO -0.04 0.23 0.50 -1.14 -1.57 0.00 0.00 175.55 173.53 2k0r s GLN 100 N -0.47 0.45 0.00 -0.62 2.00 -1.26 -0.22 119.66 119.54 2k0r s GLN 100 Ca 0.07 1.07 0.00 0.00 -2.00 0.00 0.00 55.36 54.51 2k0r s GLN 100 Cb -0.12 0.30 0.00 0.00 0.80 0.00 0.00 33.01 33.99 2k0r s GLN 100 CO 0.02 -0.20 0.00 0.41 -0.50 0.00 0.00 175.29 175.02 2k0r n GLY 101 N 4.92 2.62 3.31 2.59 0.00 -1.26 -2.93 105.19 114.44 2k0r n GLY 101 Ca -0.15 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2k0r n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k0r s SER 102 N 2.00 0.08 0.10 1.61 0.15 -0.03 -3.84 113.70 113.76 2k0r s SER 102 Ca 0.00 -0.92 -0.24 0.00 0.70 0.00 0.00 55.95 55.49 2k0r s SER 102 Cb 0.00 0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 64.66 2k0r s SER 102 CO 0.00 -0.87 0.74 0.00 1.20 0.00 0.00 173.24 174.31 2k0r s ALA 103 N -3.98 3.43 0.66 5.45 0.00 0.10 -0.83 121.76 126.59 2k0r s ALA 103 Ca 0.18 0.28 0.38 0.00 0.00 0.00 0.00 51.96 52.80 2k0r s ALA 103 Cb 0.04 -2.93 2.09 0.00 0.00 0.00 0.00 23.12 22.31 2k0r s ALA 103 CO 0.00 0.21 2.20 1.49 0.00 0.00 0.00 175.76 179.66 2k0r h GLU 104 N 4.93 0.00 0.00 0.00 4.22 -1.22 0.10 114.58 122.61 2k0r h GLU 104 Ca -0.46 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 58.85 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2k0r h GLU 104 CO 0.68 0.00 -0.64 0.00 -2.18 0.00 0.00 179.01 176.87 2k0r h ALA 105 N 1.76 0.83 0.00 2.92 0.00 -1.92 -3.47 119.26 119.38 2k0r h ALA 105 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k0r h ALA 105 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k0r h ALA 105 CO -0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2k0r n GLY 106 N 0.55 0.82 3.22 0.00 0.00 0.35 -5.16 105.19 104.97 2k0r n GLY 106 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2k0r n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0r s VAL 107 N -0.80 1.57 -0.23 1.61 1.01 -1.16 -4.95 120.40 117.44 2k0r s VAL 107 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2k0r s VAL 107 Cb 0.00 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.09 2k0r s VAL 107 CO 0.00 0.29 -0.13 0.00 0.00 0.00 0.00 175.10 175.26 2k0r s TYR 109 N 1.20 2.94 0.78 0.00 1.13 -1.25 -5.05 117.35 117.09 2k0r s TYR 109 Ca -0.04 -0.15 -0.11 0.00 -1.41 0.00 0.00 57.07 55.36 2k0r s TYR 109 Cb -0.18 -1.32 0.06 0.00 -1.10 0.00 0.00 41.96 39.42 2k0r s TYR 109 CO -0.08 0.56 1.09 -1.25 -2.51 0.00 0.00 175.55 173.37 2k0r s PRO 110 N -3.73 2.23 0.59 -3.49 0.04 -1.26 -4.60 135.00 124.78 2k0r s PRO 110 Ca 0.32 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.34 2k0r s PRO 110 Cb -0.07 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2k0r s PRO 110 CO 0.23 -1.66 1.12 -1.25 0.04 0.00 0.00 177.00 175.48 2k0r s PRO 111 N -4.90 3.15 -0.18 0.56 0.04 -1.26 -4.84 135.00 127.56 2k0r s PRO 111 Ca 0.61 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2k0r s PRO 111 Cb -0.17 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 111 CO 0.56 -1.00 -0.08 0.08 0.04 0.00 0.00 177.00 176.60 2k0r s VAL 112 N -1.98 1.43 -0.11 -0.36 1.01 0.70 -4.98 120.40 116.11 2k0r s VAL 112 Ca 0.71 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 2k0r s VAL 112 Cb -0.23 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2k0r s VAL 112 CO 0.32 0.16 0.14 1.51 0.00 0.00 0.00 175.10 177.23 2k0r s ASP 113 N 1.49 6.33 -0.08 3.32 -4.77 -1.26 -0.83 116.67 120.87 2k0r s ASP 113 Ca -0.00 0.44 -0.04 0.00 -3.30 0.00 0.00 52.55 49.65 2k0r s ASP 113 Cb -0.16 -2.03 0.04 0.00 -1.09 0.00 0.00 42.92 39.68 2k0r s ASP 113 CO -0.08 0.39 0.18 -0.89 0.70 0.00 0.00 175.17 175.48 2k0r s THR 114 N -1.05 -0.04 -0.10 2.11 2.01 0.97 -5.00 115.64 114.54 2k0r s THR 114 Ca 0.16 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.28 2k0r s THR 114 Cb -0.12 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 2k0r s THR 114 CO 0.05 0.06 0.02 -1.61 -0.69 0.00 0.00 174.62 172.45 2k0r s GLU 115 N 1.06 3.12 -0.11 4.92 2.02 -1.26 -0.75 118.70 127.70 2k0r s GLU 115 Ca -0.08 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.55 2k0r s GLU 115 Cb -0.10 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 31.28 2k0r s GLU 115 CO -0.06 0.66 -0.16 -0.06 0.02 0.00 0.00 175.26 175.67 2k0r s PHE 116 N -0.76 2.01 -0.28 1.61 0.08 0.12 -4.97 117.98 115.79 2k0r s PHE 116 Ca 0.12 -0.95 -0.22 0.00 0.12 0.00 0.00 56.93 55.99 2k0r s PHE 116 Cb -0.12 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.88 2k0r s PHE 116 CO 0.02 -0.49 0.73 -0.51 -0.10 0.00 0.00 175.22 174.88 2k0r s ASP 117 N 0.98 6.65 -0.21 1.36 1.11 -1.26 -0.78 116.67 124.51 2k0r s ASP 117 Ca -0.07 0.70 -0.08 0.00 0.18 0.00 0.00 52.55 53.28 2k0r s ASP 117 Cb -0.15 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 2k0r s ASP 117 CO -0.02 -0.52 0.09 -0.63 1.18 0.00 0.00 175.17 175.28 2k0r s ILE 118 N 2.78 4.92 0.00 0.77 -1.09 -0.64 -4.93 121.20 123.01 2k0r s ILE 118 Ca 0.30 0.02 0.08 0.00 -2.23 0.00 0.00 60.65 58.82 2k0r s ILE 118 Cb -0.15 -3.25 0.13 0.00 -1.58 0.00 0.00 42.46 37.61 2k0r s ILE 118 CO 0.11 0.41 1.05 2.22 -1.23 0.00 0.00 174.94 177.49 2k0r n PHE 119 N 3.92 0.00 -0.32 3.97 1.16 -1.26 -1.88 117.46 123.05 2k0r n PHE 119 Ca -0.16 -0.50 0.00 0.00 -1.87 0.00 0.00 57.45 54.92 2k0r n PHE 119 Cb 0.52 0.30 0.00 0.00 -1.61 0.00 0.00 39.48 38.69 2k0r n PHE 119 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0r n GLY 120 N 0.15 -0.36 0.00 4.97 0.00 -1.26 -4.99 105.19 103.70 2k0r n GLY 120 Ca -0.18 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2k0r n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k0r n ASN 121 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.07 115.26 115.69 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k0r n GLY 122 N 0.00 1.92 3.79 8.20 0.00 -1.26 -4.96 105.19 112.88 2k0r n GLY 122 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 2k0r n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0r s THR 123 N 0.00 5.19 0.02 2.61 2.01 -1.26 -0.25 115.64 123.97 2k0r s THR 123 Ca 0.00 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.70 2k0r s THR 123 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2k0r s THR 123 CO 0.00 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.07 2k0r s TYR 124 N -0.34 0.34 0.03 4.92 1.51 -1.21 -4.98 117.35 117.63 2k0r s TYR 124 Ca 0.21 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 2k0r s TYR 124 Cb -0.15 -0.22 0.00 0.00 -0.11 0.00 0.00 41.96 41.48 2k0r s TYR 124 CO 0.09 -0.12 0.17 -1.01 -1.11 0.00 0.00 175.55 173.57 2k0r s HIS 125 N -1.12 0.07 0.18 2.71 3.76 -1.26 -2.54 115.29 117.09 2k0r s HIS 125 Ca -0.11 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 2k0r s HIS 125 Cb -0.08 -0.05 -0.08 0.00 1.11 0.00 0.00 32.58 33.48 2k0r s HIS 125 CO -0.00 -0.39 1.31 -1.25 -0.85 0.00 0.00 174.74 173.56 2k0r s PRO 126 N -2.28 4.38 -0.48 8.40 0.04 -1.26 -4.93 135.00 138.87 2k0r s PRO 126 Ca -0.07 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2k0r s PRO 126 Cb -0.03 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.41 2k0r s PRO 126 CO -0.02 -0.27 2.65 1.04 0.04 0.00 0.00 177.00 180.43 2k0r n GLN 127 N 2.85 2.40 0.00 4.56 6.02 -1.26 -5.21 117.38 126.74 2k0r n GLN 127 Ca 0.07 -2.41 0.12 0.00 -0.01 0.00 0.00 57.00 54.77 2k0r n GLN 127 Cb 0.43 -2.12 0.18 0.00 1.02 0.00 0.00 30.24 29.74 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46