#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksc n ASN 8 N 0.00 5.29 -0.17 1.08 3.02 -1.26 -4.82 115.26 118.40 3ksc n ASN 8 Ca 0.00 -3.75 0.29 0.00 -0.03 0.00 0.00 54.58 51.10 3ksc n ASN 8 Cb 0.00 -0.51 0.70 0.00 -0.61 0.00 0.00 39.78 39.36 3ksc n ASN 8 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3ksc h GLU 9 N 2.42 0.00 -0.22 3.52 5.08 -1.96 -2.23 114.58 121.18 3ksc h GLU 9 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3ksc h GLU 9 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3ksc h GLU 9 CO 0.93 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.94 3ksc n GLN 11 N -0.44 3.40 -3.67 0.00 6.02 -0.84 -4.96 117.38 116.89 3ksc n GLN 11 Ca 0.17 -3.57 -0.36 0.00 -0.01 0.00 0.00 57.00 53.23 3ksc n GLN 11 Cb 0.72 -3.07 -0.09 0.00 1.02 0.00 0.00 30.24 28.82 3ksc n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ksc s LEU 12 N 1.28 4.16 0.00 1.08 1.43 -1.26 -4.92 118.68 120.45 3ksc s LEU 12 Ca 0.43 0.19 0.10 0.00 -1.03 0.00 0.00 54.13 53.83 3ksc s LEU 12 Cb 0.04 -2.13 0.07 0.00 0.03 0.00 0.00 46.19 44.19 3ksc s LEU 12 CO 0.00 0.10 0.79 -0.62 0.23 0.00 0.00 176.35 176.86 3ksc n GLU 13 N 3.99 0.76 -3.77 1.70 -0.58 -1.26 -4.97 120.64 116.51 3ksc n GLU 13 Ca -0.15 -1.02 -0.13 0.00 -0.42 0.00 0.00 57.16 55.44 3ksc n GLU 13 Cb 0.52 -1.18 -0.13 0.00 -0.57 0.00 0.00 31.44 30.08 3ksc n GLU 13 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3ksc s ARG 14 N -0.96 0.18 0.12 3.49 3.00 -1.26 -4.51 118.95 119.01 3ksc s ARG 14 Ca 0.11 0.36 0.07 0.00 -1.00 0.00 0.00 55.73 55.27 3ksc s ARG 14 Cb 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 34.95 34.97 3ksc s ARG 14 CO 0.15 -0.10 -0.16 -0.51 0.00 0.00 0.00 175.30 174.68 3ksc s LEU 15 N 0.69 2.38 0.11 -0.88 1.43 0.56 -5.00 118.68 117.98 3ksc s LEU 15 Ca -0.05 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 3ksc s LEU 15 Cb -0.06 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 3ksc s LEU 15 CO -0.04 -0.08 -0.15 -1.81 0.23 0.00 0.00 176.35 174.50 3ksc s ASP 16 N -2.33 2.03 -0.57 2.29 1.11 -1.26 -4.72 116.67 113.21 3ksc s ASP 16 Ca 0.09 -0.74 -0.28 0.00 0.18 0.00 0.00 52.55 51.79 3ksc s ASP 16 Cb -0.07 -0.08 0.02 0.00 1.07 0.00 0.00 42.92 43.87 3ksc s ASP 16 CO 0.04 -0.09 1.28 0.00 1.18 0.00 0.00 175.17 177.57 3ksc s ALA 17 N -1.77 2.93 0.04 5.23 0.00 -1.26 -4.55 121.76 122.38 3ksc s ALA 17 Ca 0.06 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 3ksc s ALA 17 Cb -0.07 -4.06 -0.06 0.00 0.00 0.00 0.00 23.12 18.93 3ksc s ALA 17 CO 0.03 -2.76 0.54 -0.51 0.00 0.00 0.00 175.76 173.06 3ksc s LEU 18 N 5.35 4.49 0.30 0.00 1.43 0.12 -4.79 118.68 125.59 3ksc s LEU 18 Ca 0.46 1.17 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 3ksc s LEU 18 Cb -0.09 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 3ksc s LEU 18 CO 0.25 0.25 0.41 -1.61 0.23 0.00 0.00 176.35 175.88 3ksc s GLU 19 N -0.89 3.17 0.42 1.70 2.02 -1.26 -1.07 118.70 122.79 3ksc s GLU 19 Ca 0.28 -0.96 -0.26 0.00 0.02 0.00 0.00 54.97 54.04 3ksc s GLU 19 Cb -0.19 -2.80 -0.09 0.00 0.10 0.00 0.00 34.13 31.15 3ksc s GLU 19 CO 0.17 0.19 1.45 -2.14 0.02 0.00 0.00 175.26 174.95 3ksc s PRO 20 N -4.09 3.86 0.00 0.39 0.02 -1.26 -4.81 135.00 129.11 3ksc s PRO 20 Ca 0.41 2.48 0.24 0.00 0.02 0.00 0.00 61.00 64.14 3ksc s PRO 20 Cb -0.09 -2.78 0.22 0.00 0.02 0.00 0.00 34.50 31.87 3ksc s PRO 20 CO 0.30 -0.70 1.27 -0.40 -0.33 0.00 0.00 177.00 177.14 3ksc n ASP 21 N 0.07 3.04 -3.79 2.53 3.85 -0.63 -4.96 116.55 116.66 3ksc n ASP 21 Ca 0.03 -1.98 -0.11 0.00 -0.71 0.00 0.00 54.79 52.02 3ksc n ASP 21 Cb 0.41 -0.04 -0.08 0.00 -1.35 0.00 0.00 41.12 40.06 3ksc n ASP 21 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 3ksc s ASN 22 N -1.89 -0.06 -0.05 -1.12 -0.87 -1.16 -5.02 114.94 104.76 3ksc s ASN 22 Ca 0.29 -0.25 0.01 0.00 -1.57 0.00 0.00 52.86 51.34 3ksc s ASN 22 Cb 0.20 0.33 0.02 0.00 -0.02 0.00 0.00 41.25 41.78 3ksc s ASN 22 CO 0.30 -0.58 -0.04 -0.13 -2.57 0.00 0.00 177.10 174.07 3ksc s ARG 23 N -2.49 0.83 -0.21 -0.60 0.52 -1.26 -1.99 118.95 113.75 3ksc s ARG 23 Ca -0.05 -0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 3ksc s ARG 23 Cb -0.01 -0.85 0.04 0.00 0.52 0.00 0.00 34.95 34.65 3ksc s ARG 23 CO -0.03 -0.09 -0.12 0.42 0.02 0.00 0.00 175.30 175.50 3ksc s ILE 24 N 0.94 1.87 0.14 1.52 1.01 -0.30 -5.00 121.20 121.39 3ksc s ILE 24 Ca -0.11 -1.17 -0.23 0.00 0.00 0.00 0.00 60.65 59.15 3ksc s ILE 24 Cb -0.14 -1.90 -0.08 0.00 0.01 0.00 0.00 42.46 40.35 3ksc s ILE 24 CO -0.00 0.19 0.70 -1.61 0.00 0.00 0.00 174.94 174.22 3ksc s GLU 25 N 1.29 4.41 0.29 2.79 2.02 -1.26 -1.49 118.70 126.74 3ksc s GLU 25 Ca -0.02 0.98 0.03 0.00 0.02 0.00 0.00 54.97 55.98 3ksc s GLU 25 Cb -0.17 -3.20 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 3ksc s GLU 25 CO -0.08 0.57 0.05 -1.54 0.02 0.00 0.00 175.26 174.28 3ksc s SER 26 N -1.20 1.99 0.22 -0.19 1.04 -0.61 -4.79 113.70 110.15 3ksc s SER 26 Ca 0.34 -1.34 -0.17 0.00 0.48 0.00 0.00 55.95 55.26 3ksc s SER 26 Cb -0.21 -0.01 0.22 0.00 0.10 0.00 0.00 66.02 66.12 3ksc s SER 26 CO 0.23 -0.61 1.57 -0.08 0.98 0.00 0.00 173.24 175.34 3ksc h GLU 27 N 2.26 -0.07 -0.24 4.02 4.81 0.29 -2.89 114.58 122.76 3ksc h GLU 27 Ca -0.40 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 3ksc h GLU 27 Cb 1.24 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3ksc h GLU 27 CO 0.66 -0.04 -0.02 0.41 -0.73 0.00 0.00 179.01 179.29 3ksc n GLY 28 N -1.47 4.35 0.00 1.92 0.00 -0.80 -4.73 105.19 104.46 3ksc n GLY 28 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3ksc n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksc n GLY 29 N -0.78 -0.55 3.14 -0.02 0.00 -1.09 -1.11 105.19 104.78 3ksc n GLY 29 Ca 0.23 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 3ksc n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksc s LEU 30 N 0.00 1.03 -0.21 0.99 2.96 -0.22 -1.58 118.68 121.65 3ksc s LEU 30 Ca 0.00 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 3ksc s LEU 30 Cb 0.00 0.88 0.04 0.00 0.50 0.00 0.00 46.19 47.61 3ksc s LEU 30 CO 0.00 -0.09 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.18 3ksc s ILE 31 N 0.11 1.86 -0.15 6.68 1.01 -0.56 -0.54 121.20 129.60 3ksc s ILE 31 Ca -0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 60.65 59.46 3ksc s ILE 31 Cb -0.02 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3ksc s ILE 31 CO 0.00 0.20 0.00 -1.61 0.00 0.00 0.00 174.94 173.54 3ksc s GLU 32 N 1.30 3.64 -0.04 2.79 2.02 0.44 -1.14 118.70 127.72 3ksc s GLU 32 Ca -0.02 -0.44 0.04 0.00 0.02 0.00 0.00 54.97 54.58 3ksc s GLU 32 Cb -0.16 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 3ksc s GLU 32 CO -0.08 0.34 -0.16 0.95 0.02 0.00 0.00 175.26 176.33 3ksc s THR 33 N 0.12 2.95 0.02 3.63 -4.23 -0.84 0.01 115.64 117.31 3ksc s THR 33 Ca 0.01 -0.81 -0.20 0.00 -1.18 0.00 0.00 61.69 59.52 3ksc s THR 33 Cb -0.13 -2.16 -0.06 0.00 1.34 0.00 0.00 72.50 71.49 3ksc s THR 33 CO 0.02 0.56 0.57 0.26 -0.54 0.00 0.00 174.62 175.49 3ksc s TRP 34 N -0.75 3.73 -0.23 3.99 0.51 0.48 -1.60 118.94 125.07 3ksc s TRP 34 Ca 0.12 1.21 -0.28 0.00 -2.12 0.00 0.00 56.10 55.03 3ksc s TRP 34 Cb -0.11 -2.55 -0.04 0.00 -0.81 0.00 0.00 33.47 29.96 3ksc s TRP 34 CO 0.01 0.45 2.14 1.21 -0.51 0.00 0.00 176.95 180.26 3ksc s ASN 35 N -0.57 5.54 0.60 2.95 3.84 -1.26 -4.41 114.94 121.63 3ksc s ASN 35 Ca 0.30 1.80 0.38 0.00 0.21 0.00 0.00 52.86 55.55 3ksc s ASN 35 Cb -0.19 -2.51 1.90 0.00 -0.55 0.00 0.00 41.25 39.90 3ksc s ASN 35 CO 0.18 -1.90 2.19 -0.65 -2.79 0.00 0.00 177.10 174.12 3ksc h PRO 36 N 14.62 0.00 0.00 0.43 0.11 -1.93 -2.22 132.00 143.00 3ksc h PRO 36 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ksc h PRO 36 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ksc h PRO 36 CO 0.97 0.02 -0.43 0.09 -0.21 0.00 0.00 178.00 178.44 3ksc n ASN 37 N -3.21 0.73 -4.63 -2.05 5.03 -1.26 -3.97 115.26 105.91 3ksc n ASN 37 Ca -0.02 0.26 -0.45 0.00 0.87 0.00 0.00 54.58 55.24 3ksc n ASN 37 Cb 0.18 -0.13 -0.02 0.00 -1.02 0.00 0.00 39.78 38.79 3ksc n ASN 37 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3ksc n ASN 38 N -2.15 1.88 -0.03 6.41 2.85 -0.84 -4.75 115.26 118.64 3ksc n ASN 38 Ca 0.04 1.17 0.02 0.00 -0.11 0.00 0.00 54.58 55.70 3ksc n ASN 38 Cb 0.44 -1.34 0.36 0.00 1.24 0.00 0.00 39.78 40.47 3ksc n ASN 38 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3ksc h LYS 39 N 2.70 0.59 -0.62 1.20 3.64 -1.90 -1.31 116.57 120.88 3ksc h LYS 39 Ca -0.42 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 3ksc h LYS 39 Cb 1.32 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3ksc h LYS 39 CO 0.65 0.46 0.37 1.96 -2.27 0.00 0.00 179.45 180.62 3ksc h GLN 40 N 0.60 0.70 -0.06 1.90 4.20 -1.88 -0.33 115.11 120.23 3ksc h GLN 40 Ca 0.15 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 3ksc h GLN 40 Cb 0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3ksc h GLN 40 CO -0.02 0.47 -0.68 0.74 -0.67 0.00 0.00 178.83 178.67 3ksc h PHE 41 N 0.73 0.38 0.18 2.96 0.04 -1.64 -2.53 116.94 117.06 3ksc h PHE 41 Ca 0.26 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3ksc h PHE 41 Cb 0.05 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3ksc h PHE 41 CO -0.06 0.87 -0.15 0.00 -0.60 0.00 0.00 178.31 178.38 3ksc h ARG 42 N 0.20 -0.33 -0.65 1.51 3.08 -0.87 0.17 114.38 117.48 3ksc h ARG 42 Ca -0.02 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.17 3ksc h ARG 42 Cb 1.22 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 31.26 3ksc h ARG 42 CO 0.11 -0.22 0.22 0.00 -1.07 0.00 0.00 179.97 179.00 3ksc h ALA 44 N 1.48 0.98 -0.98 0.00 0.00 -1.14 -3.47 119.26 116.13 3ksc h ALA 44 Ca 0.34 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3ksc h ALA 44 Cb 0.49 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ksc h ALA 44 CO -0.37 0.47 -0.10 0.41 0.00 0.00 0.00 179.25 179.66 3ksc n GLY 45 N 0.28 0.40 3.25 0.00 0.00 0.58 -4.89 105.19 104.81 3ksc n GLY 45 Ca -0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3ksc n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksc s VAL 46 N -2.50 0.00 0.01 1.61 -7.23 -1.09 -1.32 120.40 109.89 3ksc s VAL 46 Ca 0.04 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3ksc s VAL 46 Cb -0.02 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 3ksc s VAL 46 CO 0.04 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.75 3ksc s ALA 47 N -4.02 0.70 -0.04 1.32 0.00 -0.46 -4.69 121.76 114.57 3ksc s ALA 47 Ca 0.38 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.89 3ksc s ALA 47 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3ksc s ALA 47 CO 0.14 0.12 -0.23 -1.17 0.00 0.00 0.00 175.76 174.62 3ksc s LEU 48 N -0.68 2.18 0.05 0.00 0.20 -1.26 -0.82 118.68 118.34 3ksc s LEU 48 Ca -0.00 -0.44 -0.12 0.00 0.69 0.00 0.00 54.13 54.25 3ksc s LEU 48 Cb -0.05 -1.39 0.01 0.00 -0.43 0.00 0.00 46.19 44.32 3ksc s LEU 48 CO 0.00 0.29 0.26 -0.94 -0.29 0.00 0.00 176.35 175.67 3ksc s SER 49 N -0.40 -0.05 -0.08 3.68 1.04 -0.96 -0.38 113.70 116.55 3ksc s SER 49 Ca 0.04 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.19 3ksc s SER 49 Cb -0.12 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3ksc s SER 49 CO 0.01 -0.62 -0.19 -0.60 0.98 0.00 0.00 173.24 172.82 3ksc s ARG 50 N -2.79 2.39 -0.10 4.02 3.52 0.10 -0.55 118.95 125.54 3ksc s ARG 50 Ca -0.03 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 3ksc s ARG 50 Cb -0.00 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.49 3ksc s ARG 50 CO -0.05 0.15 -0.18 0.00 -0.81 0.00 0.00 175.30 174.42 3ksc s ALA 51 N 0.37 2.45 -0.17 6.12 0.00 0.97 -0.42 121.76 131.08 3ksc s ALA 51 Ca -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 3ksc s ALA 51 Cb -0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 3ksc s ALA 51 CO 0.06 0.34 -0.11 0.99 0.00 0.00 0.00 175.76 177.04 3ksc s THR 52 N 0.09 3.03 -0.27 0.00 2.01 0.30 0.31 115.64 121.10 3ksc s THR 52 Ca -0.08 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 3ksc s THR 52 Cb -0.15 -2.31 0.02 0.00 0.01 0.00 0.00 72.50 70.07 3ksc s THR 52 CO 0.05 0.49 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.71 3ksc s LEU 53 N 0.87 3.50 1.28 4.42 1.43 0.13 -1.06 118.68 129.26 3ksc s LEU 53 Ca -0.03 -0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 51.98 3ksc s LEU 53 Cb -0.15 -1.74 0.32 0.00 0.03 0.00 0.00 46.19 44.65 3ksc s LEU 53 CO 0.00 -0.17 1.06 -1.10 0.23 0.00 0.00 176.35 176.38 3ksc s GLN 54 N 1.37 -1.87 0.04 1.70 -1.52 -0.27 0.00 119.66 119.11 3ksc s GLN 54 Ca 0.00 -0.08 -0.36 0.00 -1.95 0.00 0.00 55.36 52.97 3ksc s GLN 54 Cb -0.17 -1.52 -0.15 0.00 -0.22 0.00 0.00 33.01 30.94 3ksc s GLN 54 CO -0.02 -4.13 1.53 -2.13 -0.25 0.00 0.00 175.29 170.28 3ksc n ARG 55 N -5.06 1.55 -3.35 2.91 0.63 -1.26 -1.67 116.66 110.42 3ksc n ARG 55 Ca 0.14 0.56 -0.24 0.00 -0.92 0.00 0.00 57.85 57.39 3ksc n ARG 55 Cb 0.60 -2.27 0.02 0.00 0.45 0.00 0.00 32.46 31.26 3ksc n ARG 55 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ksc n ASN 56 N 3.64 -4.96 -4.89 6.15 5.03 0.39 -4.86 115.26 115.76 3ksc n ASN 56 Ca 0.20 -0.43 -0.35 0.00 0.87 0.00 0.00 54.58 54.87 3ksc n ASN 56 Cb 0.22 -4.02 -0.05 0.00 -1.02 0.00 0.00 39.78 34.91 3ksc n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ksc s ALA 57 N -3.11 3.92 -0.25 5.41 0.00 -0.67 -0.92 121.76 126.14 3ksc s ALA 57 Ca 0.42 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3ksc s ALA 57 Cb -0.21 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.04 3ksc s ALA 57 CO 0.52 0.70 -0.06 -1.17 0.00 0.00 0.00 175.76 175.75 3ksc s LEU 58 N -1.62 3.22 -0.93 0.00 0.20 0.90 -1.19 118.68 119.26 3ksc s LEU 58 Ca 0.23 -0.90 -0.24 0.00 0.69 0.00 0.00 54.13 53.91 3ksc s LEU 58 Cb -0.12 -1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 3ksc s LEU 58 CO 0.14 -0.13 1.86 -0.60 -0.29 0.00 0.00 176.35 177.32 3ksc s ARG 59 N 1.32 2.74 0.47 1.98 6.06 0.13 -1.79 118.95 129.85 3ksc s ARG 59 Ca -0.00 -0.45 -0.22 0.00 -2.50 0.00 0.00 55.73 52.56 3ksc s ARG 59 Cb -0.17 -5.12 -0.10 0.00 0.06 0.00 0.00 34.95 29.62 3ksc s ARG 59 CO -0.04 -3.18 0.76 0.54 -2.50 0.00 0.00 175.30 170.88 3ksc n ARG 60 N 8.85 0.88 -1.66 5.12 1.74 -0.73 -2.42 116.66 128.43 3ksc n ARG 60 Ca 0.39 0.32 -0.46 0.00 -0.77 0.00 0.00 57.85 57.33 3ksc n ARG 60 Cb 0.48 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 3ksc n ARG 60 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ksc n PRO 61 N 0.11 2.05 -3.94 5.56 -0.02 -1.26 -4.80 135.00 132.70 3ksc n PRO 61 Ca 0.11 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 3ksc n PRO 61 Cb 0.42 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.36 3ksc n PRO 61 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3ksc s TYR 62 N 0.62 0.35 0.15 6.00 1.13 -0.61 -2.71 117.35 122.29 3ksc s TYR 62 Ca 0.76 -0.72 -0.00 0.00 -1.41 0.00 0.00 57.07 55.70 3ksc s TYR 62 Cb -0.69 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.09 3ksc s TYR 62 CO 0.42 -0.71 0.05 1.52 -2.51 0.00 0.00 175.55 174.31 3ksc s TYR 63 N -3.95 1.00 0.04 -3.49 -0.85 -0.50 -0.15 117.35 109.45 3ksc s TYR 63 Ca 0.16 -1.18 -0.08 0.00 -0.52 0.00 0.00 57.07 55.45 3ksc s TYR 63 Cb 0.03 -0.56 -0.00 0.00 0.38 0.00 0.00 41.96 41.81 3ksc s TYR 63 CO -0.01 -0.43 0.16 0.45 -1.52 0.00 0.00 175.55 174.20 3ksc s SER 64 N -3.10 0.08 -0.08 -0.18 0.15 -1.26 -0.48 113.70 108.83 3ksc s SER 64 Ca 0.25 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.51 3ksc s SER 64 Cb 0.07 0.26 0.12 0.00 -1.71 0.00 0.00 66.02 64.76 3ksc s SER 64 CO 0.03 -0.52 1.16 -0.46 1.20 0.00 0.00 173.24 174.65 3ksc n ASN 65 N 0.79 3.11 -3.50 5.45 6.94 -1.25 -0.33 115.26 126.47 3ksc n ASN 65 Ca -0.19 -2.28 -0.14 0.00 -0.02 0.00 0.00 54.58 51.95 3ksc n ASN 65 Cb 0.58 -0.56 -0.04 0.00 -2.36 0.00 0.00 39.78 37.40 3ksc n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ksc s ALA 66 N -0.59 -1.75 0.74 -2.53 0.00 -1.26 -4.03 121.76 112.34 3ksc s ALA 66 Ca 0.10 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 3ksc s ALA 66 Cb 0.08 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.45 3ksc s ALA 66 CO 0.02 -0.52 1.25 -2.30 0.00 0.00 0.00 175.76 174.21 3ksc n PRO 67 N 0.36 0.59 -4.79 0.00 -0.02 -1.26 -4.46 135.00 125.41 3ksc n PRO 67 Ca -0.16 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.35 3ksc n PRO 67 Cb 0.60 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 3ksc n PRO 67 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ksc s GLN 68 N -3.80 1.40 -0.15 -0.52 -0.21 -0.41 -1.37 119.66 114.61 3ksc s GLN 68 Ca 0.78 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 55.58 3ksc s GLN 68 Cb -0.33 -1.34 0.00 0.00 1.00 0.00 0.00 33.01 32.35 3ksc s GLN 68 CO 0.46 0.34 -0.19 -2.00 -2.12 0.00 0.00 175.29 171.78 3ksc s GLU 69 N -0.32 3.11 -0.12 2.91 2.12 0.13 -1.07 118.70 125.46 3ksc s GLU 69 Ca 0.05 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.60 3ksc s GLU 69 Cb -0.07 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.81 3ksc s GLU 69 CO -0.00 0.01 -0.20 0.42 -0.54 0.00 0.00 175.26 174.94 3ksc s ILE 70 N 0.80 1.88 -0.15 -3.70 1.01 -0.61 0.05 121.20 120.48 3ksc s ILE 70 Ca -0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 3ksc s ILE 70 Cb -0.15 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3ksc s ILE 70 CO -0.01 0.52 -0.04 0.12 0.00 0.00 0.00 174.94 175.53 3ksc s PHE 71 N 0.79 3.01 -0.62 3.97 5.36 -0.22 0.05 117.98 130.32 3ksc s PHE 71 Ca -0.09 -0.29 -0.23 0.00 -0.96 0.00 0.00 56.93 55.35 3ksc s PHE 71 Cb -0.16 -1.94 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 3ksc s PHE 71 CO -0.00 -0.02 0.97 0.42 -1.46 0.00 0.00 175.22 175.13 3ksc s ILE 72 N 0.29 4.31 0.17 3.12 -1.09 -0.16 -1.41 121.20 126.43 3ksc s ILE 72 Ca -0.04 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.38 3ksc s ILE 72 Cb -0.14 -4.64 -0.14 0.00 -1.58 0.00 0.00 42.46 35.96 3ksc s ILE 72 CO 0.03 -1.34 1.40 -0.61 -1.23 0.00 0.00 174.94 173.19 3ksc h GLN 73 N 9.49 0.14 -2.26 2.79 4.15 -1.37 0.16 115.11 128.22 3ksc h GLN 73 Ca -0.28 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 58.92 3ksc h GLN 73 Cb 1.07 0.04 -0.22 0.00 0.21 0.00 0.00 27.48 28.58 3ksc h GLN 73 CO 1.15 0.91 -0.01 -1.14 -1.93 0.00 0.00 178.83 177.81 3ksc s GLN 74 N -3.21 0.70 0.00 1.69 0.74 -1.11 -4.73 119.66 113.73 3ksc s GLN 74 Ca -0.02 0.87 0.00 0.00 0.05 0.00 0.00 55.36 56.26 3ksc s GLN 74 Cb 0.10 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.53 3ksc s GLN 74 CO 0.82 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.87 3ksc n GLY 75 N 2.94 0.87 3.22 2.59 0.00 -1.26 -0.12 105.19 113.43 3ksc n GLY 75 Ca -0.15 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 3ksc n GLY 75 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ksc s ASN 76 N 0.00 0.18 0.00 1.61 -0.87 -1.26 -2.24 114.94 112.37 3ksc s ASN 76 Ca 0.00 -0.89 0.00 0.00 -1.57 0.00 0.00 52.86 50.40 3ksc s ASN 76 Cb 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 41.25 41.57 3ksc s ASN 76 CO 0.00 -0.77 0.00 0.61 -2.57 0.00 0.00 177.10 174.37 3ksc n GLY 77 N -0.10 -0.56 3.46 0.66 0.00 -0.82 -4.33 105.19 103.51 3ksc n GLY 77 Ca -0.10 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 3ksc n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ksc s TYR 78 N -3.38 2.58 0.07 1.61 2.02 -0.36 -0.67 117.35 119.22 3ksc s TYR 78 Ca 0.00 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 3ksc s TYR 78 Cb 0.00 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 3ksc s TYR 78 CO 0.00 0.24 -0.05 -0.59 -1.57 0.00 0.00 175.55 173.58 3ksc s PHE 79 N -0.90 0.70 0.01 2.71 -0.71 0.06 0.13 117.98 119.98 3ksc s PHE 79 Ca 0.14 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 3ksc s PHE 79 Cb -0.11 -0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 41.25 3ksc s PHE 79 CO 0.05 -0.22 -0.02 0.20 -1.34 0.00 0.00 175.22 173.88 3ksc s GLY 80 N -2.72 0.17 0.05 1.99 0.00 -0.89 -0.80 107.32 105.13 3ksc s GLY 80 Ca 0.06 -0.36 0.07 0.00 0.00 0.00 0.00 44.72 44.49 3ksc s GLY 80 CO -0.06 -0.40 -0.21 1.06 0.00 0.00 0.00 173.10 173.50 3ksc s MET 81 N -0.86 1.33 -0.44 2.90 -1.94 -1.26 -2.08 119.30 116.95 3ksc s MET 81 Ca -0.09 -0.98 -0.05 0.00 -1.71 0.00 0.00 55.69 52.86 3ksc s MET 81 Cb -0.06 -1.47 0.12 0.00 2.01 0.00 0.00 34.83 35.43 3ksc s MET 81 CO -0.00 0.37 0.26 0.08 -0.01 0.00 0.00 175.02 175.71 3ksc s VAL 82 N -0.87 3.61 -0.32 -6.03 1.01 -0.55 -4.78 120.40 112.48 3ksc s VAL 82 Ca 0.07 -2.00 -0.19 0.00 0.00 0.00 0.00 61.98 59.86 3ksc s VAL 82 Cb -0.09 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3ksc s VAL 82 CO 0.02 -0.73 0.59 -0.36 0.00 0.00 0.00 175.10 174.62 3ksc s PHE 83 N 1.17 3.20 -0.18 5.22 0.08 -1.26 -3.93 117.98 122.29 3ksc s PHE 83 Ca 0.08 0.47 -0.35 0.00 0.12 0.00 0.00 56.93 57.24 3ksc s PHE 83 Cb -0.24 -2.96 -0.12 0.00 -0.57 0.00 0.00 43.02 39.14 3ksc s PHE 83 CO -0.03 -0.48 1.92 -2.30 -0.10 0.00 0.00 175.22 174.23 3ksc n PRO 84 N 5.82 1.79 -1.47 0.24 -0.02 -1.26 -3.05 135.00 137.05 3ksc n PRO 84 Ca -0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3ksc n PRO 84 Cb 0.49 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3ksc n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksc n GLY 85 N 4.78 0.98 3.39 -1.23 0.00 -1.26 -5.01 105.19 106.85 3ksc n GLY 85 Ca 0.27 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3ksc n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksc n PRO 87 N 2.19 0.95 -2.58 0.00 -0.02 -1.26 -4.99 135.00 129.28 3ksc n PRO 87 Ca -0.17 0.34 -0.24 0.00 -2.02 0.00 0.00 63.50 61.42 3ksc n PRO 87 Cb 0.52 -1.92 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 3ksc n PRO 87 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ksc s GLU 88 N 0.21 1.68 0.15 -0.52 2.02 -1.26 -4.85 118.70 116.12 3ksc s GLU 88 Ca 0.83 -1.11 0.03 0.00 0.02 0.00 0.00 54.97 54.75 3ksc s GLU 88 Cb -0.98 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 3ksc s GLU 88 CO 0.50 -1.45 -0.06 -0.08 0.02 0.00 0.00 175.26 174.18 3ksc s THR 89 N -3.15 0.95 0.00 3.63 -1.32 0.37 -4.96 115.64 111.16 3ksc s THR 89 Ca 0.66 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 3ksc s THR 89 Cb -0.05 -1.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.02 3ksc s THR 89 CO 0.44 -0.68 0.00 0.33 -2.21 0.00 0.00 174.62 172.51 3ksc n PHE 90 N -0.20 -1.19 0.00 9.09 7.35 -1.26 -3.13 117.46 128.13 3ksc n PHE 90 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 3ksc n PHE 90 Cb 0.61 0.17 0.00 0.00 0.35 0.00 0.00 39.48 40.61 3ksc n PHE 90 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3ksc n ARG 103 N -0.70 0.00 -1.77 -4.13 3.00 -1.26 -3.99 116.66 107.81 3ksc n ARG 103 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 3ksc n ARG 103 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 3ksc n ARG 103 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3ksc s TYR 104 N 0.00 2.19 0.54 -0.14 4.12 -1.26 -4.95 117.35 117.85 3ksc s TYR 104 Ca 0.00 0.06 -0.20 0.00 0.02 0.00 0.00 57.07 56.95 3ksc s TYR 104 Cb 0.00 -4.12 -0.08 0.00 -1.52 0.00 0.00 41.96 36.24 3ksc s TYR 104 CO 0.00 -4.61 0.83 0.54 0.02 0.00 0.00 175.55 172.32 3ksc n ARG 105 N 5.74 0.88 -4.74 -0.62 1.74 -1.26 -5.01 116.66 113.39 3ksc n ARG 105 Ca 0.17 0.33 -0.25 0.00 -0.77 0.00 0.00 57.85 57.34 3ksc n ARG 105 Cb 0.39 -1.96 -0.16 0.00 -1.02 0.00 0.00 32.46 29.71 3ksc n ARG 105 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ksc s ASP 106 N -1.08 1.95 -0.13 0.55 2.15 -1.26 -5.13 116.67 113.72 3ksc s ASP 106 Ca 0.70 -0.32 -0.08 0.00 0.43 0.00 0.00 52.55 53.29 3ksc s ASP 106 Cb -0.47 -0.52 -0.04 0.00 -0.30 0.00 0.00 42.92 41.58 3ksc s ASP 106 CO 0.52 0.14 0.15 -0.60 -0.17 0.00 0.00 175.17 175.21 3ksc s ARG 107 N 0.05 3.56 0.11 4.34 3.52 -1.26 -4.79 118.95 124.50 3ksc s ARG 107 Ca -0.03 -0.13 -0.25 0.00 -0.13 0.00 0.00 55.73 55.19 3ksc s ARG 107 Cb -0.11 -3.22 0.07 0.00 -1.56 0.00 0.00 34.95 30.13 3ksc s ARG 107 CO 0.02 0.71 0.84 -3.38 -0.81 0.00 0.00 175.30 172.67 3ksc s HIS 108 N -0.82 -0.29 0.67 5.12 -3.43 -1.18 -4.99 115.29 110.36 3ksc s HIS 108 Ca 0.14 0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.33 3ksc s HIS 108 Cb -0.12 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.62 3ksc s HIS 108 CO 0.03 -0.78 1.05 -0.65 -2.00 0.00 0.00 174.74 172.39 3ksc s GLN 109 N -3.39 3.20 0.13 -0.38 -0.21 -1.26 -0.48 119.66 117.27 3ksc s GLN 109 Ca 0.07 0.86 -0.35 0.00 0.02 0.00 0.00 55.36 55.97 3ksc s GLN 109 Cb -0.02 -2.03 -0.14 0.00 1.00 0.00 0.00 33.01 31.82 3ksc s GLN 109 CO -0.04 -0.89 1.53 1.17 -2.12 0.00 0.00 175.29 174.94 3ksc n LYS 110 N -2.98 1.91 -3.48 2.91 4.81 -1.26 -4.85 118.16 115.21 3ksc n LYS 110 Ca 0.07 0.69 -0.38 0.00 -0.87 0.00 0.00 58.31 57.82 3ksc n LYS 110 Cb 0.54 -2.43 -0.09 0.00 0.02 0.00 0.00 35.03 33.07 3ksc n LYS 110 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3ksc s VAL 111 N 0.91 5.25 0.05 3.15 -7.23 -1.26 -4.34 120.40 116.93 3ksc s VAL 111 Ca 0.81 0.47 0.01 0.00 -1.81 0.00 0.00 61.98 61.46 3ksc s VAL 111 Cb -0.75 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 32.51 3ksc s VAL 111 CO 0.41 0.25 0.10 0.20 -0.31 0.00 0.00 175.10 175.74 3ksc s ASN 112 N 1.29 5.68 0.16 4.85 -0.87 0.02 -4.14 114.94 121.93 3ksc s ASN 112 Ca 0.14 0.08 -0.30 0.00 -1.57 0.00 0.00 52.86 51.20 3ksc s ASN 112 Cb -0.15 -1.59 -0.07 0.00 -0.02 0.00 0.00 41.25 39.42 3ksc s ASN 112 CO 0.08 0.21 0.95 -0.13 -2.57 0.00 0.00 177.10 175.64 3ksc s ARG 113 N -2.18 4.76 0.02 -0.60 0.52 -1.26 -0.76 118.95 119.45 3ksc s ARG 113 Ca 0.28 1.47 0.04 0.00 -0.52 0.00 0.00 55.73 56.99 3ksc s ARG 113 Cb -0.12 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 3ksc s ARG 113 CO 0.20 0.33 -0.07 -0.59 0.02 0.00 0.00 175.30 175.19 3ksc s PHE 114 N -0.45 2.87 0.27 -0.53 -0.12 0.15 -4.90 117.98 115.28 3ksc s PHE 114 Ca 0.45 -0.05 0.12 0.00 -0.05 0.00 0.00 56.93 57.39 3ksc s PHE 114 Cb -0.24 -1.59 -0.05 0.00 -0.63 0.00 0.00 43.02 40.51 3ksc s PHE 114 CO 0.31 0.38 -0.20 1.03 -0.05 0.00 0.00 175.22 176.68 3ksc s ARG 115 N -1.52 1.67 0.08 1.99 0.52 -1.26 -1.95 118.95 118.48 3ksc s ARG 115 Ca 0.18 -1.74 -0.32 0.00 -0.52 0.00 0.00 55.73 53.32 3ksc s ARG 115 Cb -0.11 -1.78 -0.12 0.00 0.52 0.00 0.00 34.95 33.46 3ksc s ARG 115 CO 0.08 0.34 1.80 -1.91 0.02 0.00 0.00 175.30 175.63 3ksc n GLU 116 N -0.53 2.52 -0.39 3.54 2.13 -0.95 -1.37 120.64 125.60 3ksc n GLU 116 Ca -0.06 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.68 3ksc n GLU 116 Cb 0.60 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.53 3ksc n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ksc n GLY 117 N 4.11 0.78 3.82 8.31 0.00 0.58 -4.73 105.19 118.07 3ksc n GLY 117 Ca 0.19 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3ksc n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ksc s ASP 118 N -2.21 6.98 -0.19 1.61 1.01 -0.47 -0.75 116.67 122.66 3ksc s ASP 118 Ca 0.00 1.32 -0.08 0.00 0.71 0.00 0.00 52.55 54.51 3ksc s ASP 118 Cb 0.00 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 3ksc s ASP 118 CO 0.00 0.04 0.07 -0.63 0.21 0.00 0.00 175.17 174.86 3ksc s ILE 119 N -1.53 4.79 -0.18 0.77 -1.09 -0.35 -0.98 121.20 122.63 3ksc s ILE 119 Ca 0.42 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 3ksc s ILE 119 Cb -0.16 -3.16 0.01 0.00 -1.58 0.00 0.00 42.46 37.57 3ksc s ILE 119 CO 0.20 0.45 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.57 3ksc s ILE 120 N 0.44 2.43 -0.34 2.92 1.01 0.11 -1.84 121.20 125.93 3ksc s ILE 120 Ca 0.03 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 3ksc s ILE 120 Cb -0.12 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 3ksc s ILE 120 CO 0.00 0.51 0.58 0.00 0.00 0.00 0.00 174.94 176.04 3ksc s ALA 121 N 1.15 3.48 -0.46 9.38 0.00 -0.27 -1.58 121.76 133.46 3ksc s ALA 121 Ca 0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 3ksc s ALA 121 Cb -0.14 -3.08 0.12 0.00 0.00 0.00 0.00 23.12 20.02 3ksc s ALA 121 CO -0.07 -1.22 0.29 0.08 0.00 0.00 0.00 175.76 174.84 3ksc s VAL 122 N 2.54 3.67 1.00 0.00 1.01 -0.23 -4.91 120.40 123.47 3ksc s VAL 122 Ca 0.22 -2.10 -0.12 0.00 0.00 0.00 0.00 61.98 59.98 3ksc s VAL 122 Cb -0.15 -3.46 0.14 0.00 0.00 0.00 0.00 36.38 32.91 3ksc s VAL 122 CO 0.13 -0.75 0.80 -2.65 0.00 0.00 0.00 175.10 172.64 3ksc n PRO 123 N 4.54 -0.92 -1.80 2.72 -0.02 -1.26 -1.29 135.00 136.98 3ksc n PRO 123 Ca -0.02 -0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 60.82 3ksc n PRO 123 Cb 0.41 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3ksc n PRO 123 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ksc s THR 124 N -2.49 2.61 0.00 3.45 2.01 -1.26 -2.67 115.64 117.28 3ksc s THR 124 Ca 0.63 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.84 3ksc s THR 124 Cb -0.22 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3ksc s THR 124 CO 0.63 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 3ksc n GLY 125 N 4.08 0.65 3.72 4.40 0.00 0.55 -4.94 105.19 113.64 3ksc n GLY 125 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3ksc n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ksc s ILE 126 N -2.71 4.92 0.23 -0.61 -1.09 -1.09 -4.79 121.20 116.06 3ksc s ILE 126 Ca 0.00 1.79 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 3ksc s ILE 126 Cb 0.00 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 3ksc s ILE 126 CO 0.00 0.22 1.31 -0.69 -1.23 0.00 0.00 174.94 174.55 3ksc s VAL 127 N 0.82 3.08 -0.01 2.92 1.01 -1.25 -4.44 120.40 122.53 3ksc s VAL 127 Ca 0.45 0.93 0.02 0.00 0.00 0.00 0.00 61.98 63.38 3ksc s VAL 127 Cb -0.20 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 3ksc s VAL 127 CO 0.24 0.16 -0.06 0.12 0.00 0.00 0.00 175.10 175.55 3ksc s PHE 128 N -0.17 0.59 0.06 5.22 5.36 0.78 -1.48 117.98 128.34 3ksc s PHE 128 Ca 0.55 -0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.42 3ksc s PHE 128 Cb -0.37 -0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 41.88 3ksc s PHE 128 CO 0.41 -0.03 -0.06 1.67 -1.46 0.00 0.00 175.22 175.76 3ksc s TRP 129 N -0.05 0.65 0.07 10.12 1.48 -0.89 -1.57 118.94 128.75 3ksc s TRP 129 Ca 0.01 -0.75 0.04 0.00 -1.06 0.00 0.00 56.10 54.34 3ksc s TRP 129 Cb -0.04 -0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 31.84 3ksc s TRP 129 CO -0.00 -0.18 -0.11 -1.64 -4.06 0.00 0.00 176.95 170.96 3ksc s MET 130 N -2.74 0.74 -0.05 3.25 -1.94 -1.02 -2.10 119.30 115.44 3ksc s MET 130 Ca -0.01 -0.96 -0.03 0.00 -1.71 0.00 0.00 55.69 52.99 3ksc s MET 130 Cb -0.02 -0.57 0.02 0.00 2.01 0.00 0.00 34.83 36.28 3ksc s MET 130 CO -0.03 0.11 0.12 -0.47 -0.01 0.00 0.00 175.02 174.73 3ksc s TYR 131 N -1.68 -0.13 -0.47 -0.03 5.04 0.12 0.19 117.35 120.40 3ksc s TYR 131 Ca -0.02 0.36 -0.16 0.00 -2.44 0.00 0.00 57.07 54.80 3ksc s TYR 131 Cb -0.08 -0.03 0.06 0.00 0.35 0.00 0.00 41.96 42.26 3ksc s TYR 131 CO 0.01 -0.10 0.44 1.21 -1.34 0.00 0.00 175.55 175.76 3ksc s ASN 132 N 0.58 6.16 0.00 4.32 2.47 -0.33 -1.22 114.94 126.92 3ksc s ASN 132 Ca -0.04 -1.13 0.18 0.00 0.42 0.00 0.00 52.86 52.29 3ksc s ASN 132 Cb -0.06 -2.21 0.54 0.00 -1.45 0.00 0.00 41.25 38.08 3ksc s ASN 132 CO -0.03 -0.67 1.43 -0.90 -3.72 0.00 0.00 177.10 173.22 3ksc n ASP 133 N 5.44 2.30 -0.11 -4.21 3.85 -1.26 -0.46 116.55 122.10 3ksc n ASP 133 Ca -0.11 -1.88 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 3ksc n ASP 133 Cb 0.45 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 3ksc n ASP 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ksc n GLN 134 N 0.74 3.10 -0.12 0.11 6.02 -1.26 -4.84 117.38 121.13 3ksc n GLN 134 Ca 0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 3ksc n GLN 134 Cb 0.40 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.58 3ksc n GLN 134 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ksc n ASP 135 N -0.09 1.92 -4.69 1.08 9.92 -1.26 -3.66 116.55 119.78 3ksc n ASP 135 Ca 0.00 0.33 -0.43 0.00 -0.53 0.00 0.00 54.79 54.16 3ksc n ASP 135 Cb 0.00 -0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 39.66 3ksc n ASP 135 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3ksc n THR 136 N -4.28 0.38 -1.67 -3.53 -1.04 -1.26 -4.12 114.28 98.75 3ksc n THR 136 Ca -0.44 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.07 3ksc n THR 136 Cb 0.79 -2.05 -0.01 0.00 -1.82 0.00 0.00 70.33 67.24 3ksc n THR 136 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ksc n PRO 137 N 5.64 1.97 -3.00 -2.82 -0.02 -1.26 -4.72 135.00 130.78 3ksc n PRO 137 Ca 0.19 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.96 3ksc n PRO 137 Cb 0.36 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 3ksc n PRO 137 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ksc s VAL 138 N -0.83 4.69 -0.17 -1.45 1.01 0.10 -4.26 120.40 119.49 3ksc s VAL 138 Ca 0.59 1.61 0.01 0.00 0.00 0.00 0.00 61.98 64.19 3ksc s VAL 138 Cb -0.61 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 31.69 3ksc s VAL 138 CO 0.59 0.39 -0.16 -0.63 0.00 0.00 0.00 175.10 175.28 3ksc s ILE 139 N -0.22 1.85 -0.15 2.22 1.01 0.83 0.22 121.20 126.96 3ksc s ILE 139 Ca 0.38 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3ksc s ILE 139 Cb -0.21 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.56 3ksc s ILE 139 CO 0.23 0.45 -0.15 0.00 0.00 0.00 0.00 174.94 175.47 3ksc s ALA 140 N 1.36 1.88 -0.17 9.38 0.00 0.15 -0.92 121.76 133.44 3ksc s ALA 140 Ca 0.04 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 3ksc s ALA 140 Cb -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 3ksc s ALA 140 CO -0.11 -0.36 0.03 0.14 0.00 0.00 0.00 175.76 175.45 3ksc s VAL 141 N 1.45 4.51 -0.07 0.00 -7.23 -0.50 -0.02 120.40 118.54 3ksc s VAL 141 Ca 0.04 -0.13 0.05 0.00 -1.81 0.00 0.00 61.98 60.13 3ksc s VAL 141 Cb -0.13 -3.02 -0.00 0.00 0.56 0.00 0.00 36.38 33.79 3ksc s VAL 141 CO -0.10 0.47 -0.21 -0.94 -0.31 0.00 0.00 175.10 174.01 3ksc s SER 142 N 0.35 2.69 -0.26 4.85 1.04 0.29 -1.06 113.70 121.60 3ksc s SER 142 Ca 0.01 -0.46 -0.10 0.00 0.48 0.00 0.00 55.95 55.88 3ksc s SER 142 Cb -0.13 -0.95 -0.04 0.00 0.10 0.00 0.00 66.02 65.00 3ksc s SER 142 CO 0.01 0.17 0.15 -0.22 0.98 0.00 0.00 173.24 174.33 3ksc s LEU 143 N 0.14 3.88 -0.32 2.42 0.20 0.11 -2.27 118.68 122.84 3ksc s LEU 143 Ca -0.10 -0.03 -0.11 0.00 0.69 0.00 0.00 54.13 54.58 3ksc s LEU 143 Cb -0.15 -2.06 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 3ksc s LEU 143 CO 0.05 -0.01 0.19 -0.89 -0.29 0.00 0.00 176.35 175.40 3ksc s THR 144 N 1.51 4.93 -1.34 3.68 2.01 -0.00 -0.69 115.64 125.74 3ksc s THR 144 Ca 0.07 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 3ksc s THR 144 Cb -0.15 -3.51 0.10 0.00 0.01 0.00 0.00 72.50 68.96 3ksc s THR 144 CO 0.07 0.06 1.93 -0.67 -0.69 0.00 0.00 174.62 175.32 3ksc n ASP 145 N 5.04 4.62 -0.28 3.53 2.03 -0.47 -1.36 116.55 129.66 3ksc n ASP 145 Ca -0.13 -2.96 0.06 0.00 0.52 0.00 0.00 54.79 52.27 3ksc n ASP 145 Cb 0.50 -1.60 0.20 0.00 -0.72 0.00 0.00 41.12 39.50 3ksc n ASP 145 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3ksc h ILE 146 N 4.26 0.73 0.00 5.18 2.04 -1.77 -0.91 117.51 127.05 3ksc h ILE 146 Ca 0.46 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 3ksc h ILE 146 Cb 0.70 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3ksc h ILE 146 CO 1.65 0.11 -0.00 0.08 0.00 0.00 0.00 178.15 179.98 3ksc h ARG 147 N 0.59 0.00 -6.10 2.37 0.11 -1.52 -3.44 114.38 106.39 3ksc h ARG 147 Ca 0.44 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.87 3ksc h ARG 147 Cb 0.60 0.00 0.12 0.00 1.11 0.00 0.00 29.97 31.80 3ksc h ARG 147 CO -0.36 0.00 -0.46 0.45 0.10 0.00 0.00 179.97 179.70 3ksc n SER 148 N -3.09 -1.00 0.09 0.08 2.88 -0.34 -4.82 113.62 107.42 3ksc n SER 148 Ca -0.02 1.09 0.11 0.00 -1.33 0.00 0.00 58.87 58.72 3ksc n SER 148 Cb 0.13 -1.01 0.45 0.00 -0.75 0.00 0.00 64.21 63.03 3ksc n SER 148 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3ksc n SER 149 N 1.86 0.53 0.21 -3.46 3.41 -1.26 -1.94 113.62 112.96 3ksc n SER 149 Ca 0.15 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 3ksc n SER 149 Cb 0.29 -0.73 0.49 0.00 -0.26 0.00 0.00 64.21 64.01 3ksc n SER 149 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3ksc h ASN 150 N 0.00 0.00 -3.13 4.04 2.35 -1.93 -3.41 115.58 113.49 3ksc h ASN 150 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 3ksc h ASN 150 Cb 0.42 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.69 3ksc h ASN 150 CO 0.00 0.00 0.71 0.21 -1.65 0.00 0.00 177.43 176.70 3ksc s ASN 151 N -5.35 6.36 -0.13 5.81 2.47 -0.82 -4.85 114.94 118.43 3ksc s ASN 151 Ca 0.04 -0.25 0.16 0.00 0.42 0.00 0.00 52.86 53.23 3ksc s ASN 151 Cb 0.09 -2.48 0.59 0.00 -1.45 0.00 0.00 41.25 38.00 3ksc s ASN 151 CO 0.55 -1.35 1.50 0.00 -3.72 0.00 0.00 177.10 174.08 3ksc n GLN 152 N 7.87 3.44 0.00 0.43 6.02 -1.26 -4.87 117.38 129.01 3ksc n GLN 152 Ca 0.04 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.29 3ksc n GLN 152 Cb 0.48 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3ksc n GLN 152 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ksc n LEU 153 N 0.40 0.00 0.00 1.08 4.77 -1.26 -5.14 117.00 116.85 3ksc n LEU 153 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3ksc n LEU 153 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3ksc n LEU 153 CO 0.19 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.35 3ksc n ASP 154 N 0.00 0.07 -0.69 -1.43 5.68 -1.26 -5.03 116.55 113.88 3ksc n ASP 154 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 3ksc n ASP 154 Cb 0.00 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.17 3ksc n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksc n GLN 155 N 0.00 1.81 -2.65 0.11 6.02 -1.26 -4.88 117.38 116.53 3ksc n GLN 155 Ca 0.00 -1.39 -0.42 0.00 -0.01 0.00 0.00 57.00 55.17 3ksc n GLN 155 Cb 0.00 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.76 3ksc n GLN 155 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3ksc s MET 156 N -2.15 4.42 0.35 -1.09 -1.94 -1.26 -4.97 119.30 112.66 3ksc s MET 156 Ca 0.28 1.44 -0.28 0.00 -1.71 0.00 0.00 55.69 55.41 3ksc s MET 156 Cb 0.20 -3.54 -0.10 0.00 2.01 0.00 0.00 34.83 33.39 3ksc s MET 156 CO 0.39 -0.32 1.37 -1.25 -0.01 0.00 0.00 175.02 175.19 3ksc s PRO 157 N 1.99 4.25 -0.00 2.03 0.04 -1.26 -5.02 135.00 137.03 3ksc s PRO 157 Ca 0.50 2.34 0.04 0.00 0.04 0.00 0.00 61.00 63.91 3ksc s PRO 157 Cb -0.19 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 3ksc s PRO 157 CO 0.19 -0.32 -0.12 1.03 0.04 0.00 0.00 177.00 177.82 3ksc s ARG 158 N -1.92 0.94 -0.07 4.56 0.52 -1.26 -4.80 118.95 116.92 3ksc s ARG 158 Ca 0.51 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 55.28 3ksc s ARG 158 Cb -0.42 -0.91 0.00 0.00 0.52 0.00 0.00 34.95 34.14 3ksc s ARG 158 CO 0.56 0.24 -0.19 1.03 0.02 0.00 0.00 175.30 176.97 3ksc s ARG 159 N -0.43 2.23 -0.24 3.54 0.52 -1.26 -3.89 118.95 119.42 3ksc s ARG 159 Ca 0.04 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.53 3ksc s ARG 159 Cb -0.05 -1.80 -0.02 0.00 0.52 0.00 0.00 34.95 33.60 3ksc s ARG 159 CO -0.00 0.17 0.03 -0.06 0.02 0.00 0.00 175.30 175.46 3ksc s PHE 160 N 0.30 3.04 -0.19 -0.53 0.40 0.37 -4.79 117.98 116.58 3ksc s PHE 160 Ca -0.12 -0.61 -0.08 0.00 -0.60 0.00 0.00 56.93 55.52 3ksc s PHE 160 Cb -0.15 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 3ksc s PHE 160 CO 0.05 -0.42 0.07 0.71 0.70 0.00 0.00 175.22 176.33 3ksc s TYR 161 N 1.54 3.24 0.27 0.36 2.02 -1.26 -1.40 117.35 122.12 3ksc s TYR 161 Ca 0.06 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.82 3ksc s TYR 161 Cb -0.15 -2.11 0.39 0.00 -0.40 0.00 0.00 41.96 39.69 3ksc s TYR 161 CO 0.01 0.10 1.70 -0.07 -1.57 0.00 0.00 175.55 175.72 3ksc h LEU 162 N 6.91 0.49 0.00 -1.29 3.38 -1.88 -1.80 115.31 121.12 3ksc h LEU 162 Ca -0.37 -0.17 -0.28 0.00 0.09 0.00 0.00 57.88 57.15 3ksc h LEU 162 Cb 1.17 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 3ksc h LEU 162 CO 0.69 0.75 -0.23 0.00 0.09 0.00 0.00 178.44 179.74 3ksc n ALA 163 N -2.49 0.29 0.00 1.53 0.00 -1.26 -4.33 120.51 114.25 3ksc n ALA 163 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3ksc n ALA 163 Cb 0.42 0.70 0.00 0.00 0.00 0.00 0.00 19.45 20.57 3ksc n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 164 N 0.79 -2.27 2.56 0.00 0.00 -1.26 -4.53 105.19 100.47 3ksc n GLY 164 Ca -0.03 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 3ksc n GLY 164 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ksc n ASN 165 N 0.25 -0.01 -4.10 1.61 5.15 -1.26 -4.25 115.26 112.65 3ksc n ASN 165 Ca 0.00 -2.88 -0.12 0.00 -0.60 0.00 0.00 54.58 50.98 3ksc n ASN 165 Cb 0.00 0.15 -0.11 0.00 -0.53 0.00 0.00 39.78 39.29 3ksc n ASN 165 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3ksc s HIS 166 N -1.72 0.77 0.51 1.20 -3.43 -1.26 -3.95 115.29 107.41 3ksc s HIS 166 Ca 0.28 -0.63 -0.21 0.00 -0.80 0.00 0.00 55.06 53.70 3ksc s HIS 166 Cb 0.39 -0.45 -0.06 0.00 -1.43 0.00 0.00 32.58 31.03 3ksc s HIS 166 CO -0.03 -0.10 1.17 -1.21 -2.00 0.00 0.00 174.74 172.57 3ksc s GLU 167 N -2.33 3.50 0.48 -0.38 2.02 -1.26 -4.67 118.70 116.06 3ksc s GLU 167 Ca -0.02 1.76 -0.21 0.00 0.02 0.00 0.00 54.97 56.51 3ksc s GLU 167 Cb -0.05 -2.22 -0.07 0.00 0.10 0.00 0.00 34.13 31.89 3ksc s GLU 167 CO -0.01 -0.76 1.11 -1.14 0.02 0.00 0.00 175.26 174.48 3ksc s GLN 168 N -2.97 3.69 0.64 1.61 -0.44 -1.26 -4.92 119.66 116.02 3ksc s GLN 168 Ca 0.69 1.60 0.35 0.00 -2.50 0.00 0.00 55.36 55.50 3ksc s GLN 168 Cb -0.28 -2.23 1.95 0.00 -1.64 0.00 0.00 33.01 30.81 3ksc s GLN 168 CO 0.33 -0.56 2.15 0.93 0.50 0.00 0.00 175.29 178.64 3ksc h GLU 169 N 1.74 0.00 -0.00 1.67 3.07 -1.95 -2.47 114.58 116.63 3ksc h GLU 169 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3ksc h GLU 169 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3ksc h GLU 169 CO 0.59 0.00 -0.93 1.19 -1.40 0.00 0.00 179.01 178.46 3ksc n PHE 170 N -3.25 0.00 -0.35 4.33 3.72 -1.26 -4.31 117.46 116.34 3ksc n PHE 170 Ca -0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.43 3ksc n PHE 170 Cb 0.24 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.00 3ksc n PHE 170 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3ksc h LEU 171 N 0.11 0.96 0.00 4.37 6.46 -1.75 -1.99 115.31 123.47 3ksc h LEU 171 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3ksc h LEU 171 Cb 0.49 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 3ksc h LEU 171 CO 0.00 0.58 0.00 0.00 -0.62 0.00 0.00 178.44 178.40 3ksc n GLN 172 N -4.53 0.11 -0.00 1.25 10.64 -1.26 -1.44 117.38 122.14 3ksc n GLN 172 Ca 0.16 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.37 3ksc n GLN 172 Cb 0.25 -1.47 -0.04 0.00 -0.86 0.00 0.00 30.24 28.12 3ksc n GLN 172 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3ksc n TYR 173 N -0.97 0.00 -1.54 2.61 4.01 -0.75 -4.99 117.16 115.54 3ksc n TYR 173 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 3ksc n TYR 173 Cb 0.01 -0.03 0.13 0.00 -0.31 0.00 0.00 39.34 39.14 3ksc n TYR 173 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3ksc s GLN 174 N -1.82 1.29 -0.37 -0.72 -0.21 -0.52 -4.98 119.66 112.33 3ksc s GLN 174 Ca 0.02 0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.74 3ksc s GLN 174 Cb 0.05 -1.85 0.10 0.00 1.00 0.00 0.00 33.01 32.31 3ksc s GLN 174 CO 0.30 -2.11 0.11 -1.58 -2.12 0.00 0.00 175.29 169.90 3ksc s HIS 175 N -3.26 3.61 0.00 0.91 5.65 -1.26 -5.08 115.29 115.86 3ksc s HIS 175 Ca 0.63 -2.58 0.00 0.00 0.25 0.00 0.00 55.06 53.36 3ksc s HIS 175 Cb -0.15 -2.95 0.00 0.00 -1.18 0.00 0.00 32.58 28.30 3ksc s HIS 175 CO 0.53 -0.94 0.00 0.94 -0.65 0.00 0.00 174.74 174.62 3ksc n GLN 176 N 4.46 -1.28 0.00 2.88 0.00 -1.26 -5.26 117.38 116.93 3ksc n GLN 176 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 3ksc n GLN 176 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.66 3ksc n GLN 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ksc n GLY 187 N 0.00 0.00 0.00 1.69 0.00 -1.26 -5.29 105.19 100.33 3ksc n GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ksc n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ksc n ASN 188 N 0.00 0.11 -4.94 1.61 4.13 -1.26 -4.96 115.26 109.94 3ksc n ASN 188 Ca 0.00 -1.04 -0.24 0.00 1.68 0.00 0.00 54.58 54.99 3ksc n ASN 188 Cb 0.00 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.29 3ksc n ASN 188 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3ksc s ASN 189 N -0.04 5.02 0.20 6.41 4.22 -1.26 -4.71 114.94 124.78 3ksc s ASN 189 Ca 0.00 0.22 -0.07 0.00 -2.14 0.00 0.00 52.86 50.87 3ksc s ASN 189 Cb 0.00 -0.97 0.13 0.00 1.28 0.00 0.00 41.25 41.68 3ksc s ASN 189 CO 0.00 -1.39 1.63 0.16 -2.04 0.00 0.00 177.10 175.45 3ksc h ILE 190 N -0.29 1.27 -0.30 0.54 3.07 -1.51 -2.67 117.51 117.62 3ksc h ILE 190 Ca -0.43 -1.26 -0.03 0.00 1.55 0.00 0.00 64.86 64.69 3ksc h ILE 190 Cb 1.31 1.03 -0.02 0.00 -0.27 0.00 0.00 36.82 38.87 3ksc h ILE 190 CO 0.56 0.44 0.07 -0.26 -1.05 0.00 0.00 178.15 177.91 3ksc h PHE 191 N 0.82 0.42 0.00 0.16 0.04 -1.84 -2.57 116.94 113.97 3ksc h PHE 191 Ca 0.13 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3ksc h PHE 191 Cb 0.67 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.69 3ksc h PHE 191 CO 0.04 0.38 0.00 0.66 -0.60 0.00 0.00 178.31 178.79 3ksc h SER 192 N 0.42 0.00 1.30 2.17 4.64 -1.71 -1.41 113.55 118.95 3ksc h SER 192 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ksc h SER 192 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3ksc h SER 192 CO -0.00 0.00 -0.22 1.23 -0.87 0.00 0.00 176.83 176.96 3ksc h GLY 193 N 1.03 0.00 -3.62 -0.77 0.00 -1.54 -3.45 103.07 94.72 3ksc h GLY 193 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3ksc h GLY 193 CO 0.00 0.00 -0.16 -1.36 0.00 0.00 0.00 176.54 175.02 3ksc s PHE 194 N -3.13 3.45 0.35 5.60 0.08 -0.53 -5.06 117.98 118.73 3ksc s PHE 194 Ca 0.09 0.75 -0.29 0.00 0.12 0.00 0.00 56.93 57.60 3ksc s PHE 194 Cb 0.12 -2.17 -0.11 0.00 -0.57 0.00 0.00 43.02 40.30 3ksc s PHE 194 CO 0.65 0.27 1.42 0.21 -0.10 0.00 0.00 175.22 177.67 3ksc s LYS 195 N -2.99 4.22 0.40 0.44 2.20 -1.26 -4.90 119.74 117.84 3ksc s LYS 195 Ca 0.45 2.42 0.13 0.00 -0.36 0.00 0.00 55.97 58.61 3ksc s LYS 195 Cb -0.11 -3.02 0.96 0.00 -1.51 0.00 0.00 37.83 34.15 3ksc s LYS 195 CO 0.24 -0.40 1.91 0.00 -0.36 0.00 0.00 175.35 176.74 3ksc h ARG 196 N 3.39 0.51 -0.31 4.03 3.08 -1.97 -2.40 114.38 120.71 3ksc h ARG 196 Ca -0.50 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.53 3ksc h ARG 196 Cb 1.23 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 3ksc h ARG 196 CO 0.66 0.33 0.20 -0.44 -1.07 0.00 0.00 179.97 179.66 3ksc h ASP 197 N 0.52 0.34 -0.80 7.04 3.32 -2.00 -1.51 116.42 123.33 3ksc h ASP 197 Ca 0.39 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.50 3ksc h ASP 197 Cb 0.77 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 3ksc h ASP 197 CO -0.14 0.25 0.48 -0.26 -1.72 0.00 0.00 179.24 177.85 3ksc h PHE 198 N 0.41 0.89 -0.40 4.55 -1.00 -1.82 -1.56 116.94 118.01 3ksc h PHE 198 Ca 0.12 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.82 3ksc h PHE 198 Cb -0.03 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.23 3ksc h PHE 198 CO -0.06 0.44 -0.18 -0.07 -1.61 0.00 0.00 178.31 176.83 3ksc h LEU 199 N 0.88 0.85 -0.03 1.54 4.07 -1.35 0.31 115.31 121.57 3ksc h LEU 199 Ca 0.36 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.92 3ksc h LEU 199 Cb 0.19 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3ksc h LEU 199 CO -0.18 1.06 -0.00 -0.33 -1.08 0.00 0.00 178.44 177.91 3ksc h GLU 200 N 0.64 0.01 -0.59 1.13 5.08 -1.09 0.11 114.58 119.86 3ksc h GLU 200 Ca 0.09 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3ksc h GLU 200 Cb 0.73 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3ksc h GLU 200 CO 0.06 0.01 0.21 -0.44 -1.00 0.00 0.00 179.01 177.85 3ksc h ASP 201 N 0.01 0.84 -0.40 1.42 3.32 -1.19 1.38 116.42 121.80 3ksc h ASP 201 Ca 0.01 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.73 3ksc h ASP 201 Cb 0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3ksc h ASP 201 CO -0.03 0.80 -0.32 0.00 -1.72 0.00 0.00 179.24 177.98 3ksc h ALA 202 N 1.07 0.64 0.00 3.45 0.00 -0.18 -3.23 119.26 121.03 3ksc h ALA 202 Ca 0.20 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ksc h ALA 202 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ksc h ALA 202 CO -0.01 0.67 -1.63 1.19 0.00 0.00 0.00 179.25 179.47 3ksc n PHE 203 N -4.08 0.41 -3.07 0.00 3.72 0.37 -4.99 117.46 109.82 3ksc n PHE 203 Ca -0.01 0.12 -0.13 0.00 -0.05 0.00 0.00 57.45 57.38 3ksc n PHE 203 Cb 0.51 -0.73 0.07 0.00 -0.94 0.00 0.00 39.48 38.38 3ksc n PHE 203 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ksc n ASN 204 N -2.48 -2.99 -4.22 4.37 5.15 0.47 -5.04 115.26 110.52 3ksc n ASN 204 Ca -0.05 -0.51 -0.12 0.00 -0.60 0.00 0.00 54.58 53.30 3ksc n ASN 204 Cb 0.62 -4.20 -0.10 0.00 -0.53 0.00 0.00 39.78 35.57 3ksc n ASN 204 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ksc s VAL 205 N -3.29 0.30 0.81 3.44 -7.23 -1.07 -5.04 120.40 108.32 3ksc s VAL 205 Ca 0.10 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 3ksc s VAL 205 Cb -0.01 -2.29 0.08 0.00 0.56 0.00 0.00 36.38 34.71 3ksc s VAL 205 CO 0.58 -0.26 1.10 0.54 -0.31 0.00 0.00 175.10 176.75 3ksc s ASN 206 N -3.16 4.36 0.36 4.85 2.20 -1.26 -4.54 114.94 117.75 3ksc s ASN 206 Ca 0.30 1.31 0.13 0.00 -0.94 0.00 0.00 52.86 53.66 3ksc s ASN 206 Cb 0.07 -2.03 0.94 0.00 -2.00 0.00 0.00 41.25 38.22 3ksc s ASN 206 CO 0.07 -2.06 1.80 -0.09 -2.94 0.00 0.00 177.10 173.88 3ksc h ARG 207 N -1.15 0.55 -0.16 3.55 9.65 -1.99 -2.49 114.38 122.34 3ksc h ARG 207 Ca -0.47 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.35 3ksc h ARG 207 Cb 1.27 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 3ksc h ARG 207 CO 0.59 0.36 0.02 1.25 2.80 0.00 0.00 179.97 184.99 3ksc h HIS 208 N 0.56 0.29 -0.75 2.20 2.76 -1.99 -0.41 115.15 117.81 3ksc h HIS 208 Ca 0.55 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.69 3ksc h HIS 208 Cb 1.14 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.98 3ksc h HIS 208 CO -0.00 0.46 0.49 0.82 -1.30 0.00 0.00 177.93 178.40 3ksc h ILE 209 N 0.04 1.18 -0.56 6.26 2.04 -1.83 -1.50 117.51 123.14 3ksc h ILE 209 Ca 0.05 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3ksc h ILE 209 Cb 0.33 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3ksc h ILE 209 CO 0.00 0.18 0.32 0.58 0.00 0.00 0.00 178.15 179.24 3ksc h VAL 210 N 1.00 1.18 -0.33 1.67 2.07 -1.28 0.25 116.25 120.81 3ksc h VAL 210 Ca 0.28 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3ksc h VAL 210 Cb -0.10 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3ksc h VAL 210 CO -0.06 0.19 0.09 0.44 0.02 0.00 0.00 177.57 178.25 3ksc h ASP 211 N 0.76 0.07 0.02 0.57 3.32 -0.66 0.11 116.42 120.62 3ksc h ASP 211 Ca 0.20 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3ksc h ASP 211 Cb 0.02 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3ksc h ASP 211 CO -0.03 0.08 -0.26 0.03 -1.72 0.00 0.00 179.24 177.33 3ksc h ARG 212 N 0.22 -0.40 -0.89 3.56 2.47 -1.02 -1.11 114.38 117.20 3ksc h ARG 212 Ca 0.15 0.03 0.23 0.00 -1.26 0.00 0.00 59.98 59.13 3ksc h ARG 212 Cb 0.14 0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 28.42 3ksc h ARG 212 CO -0.18 -0.27 0.34 1.25 0.56 0.00 0.00 179.97 181.67 3ksc h LEU 213 N -0.42 0.21 -0.08 3.04 5.85 -0.30 0.33 115.31 123.94 3ksc h LEU 213 Ca 0.06 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3ksc h LEU 213 Cb 0.49 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3ksc h LEU 213 CO -0.22 -0.07 -0.07 0.00 -0.34 0.00 0.00 178.44 177.74 3ksc n GLN 214 N -5.12 0.42 -2.56 1.25 6.02 0.31 -4.71 117.38 113.00 3ksc n GLN 214 Ca 0.22 -0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 56.99 3ksc n GLN 214 Cb 0.69 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.46 3ksc n GLN 214 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ksc n GLY 215 N 1.33 -0.13 0.31 1.08 0.00 0.11 -4.55 105.19 103.35 3ksc n GLY 215 Ca 0.13 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 3ksc n GLY 215 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ksc h ARG 216 N -0.56 1.07 -0.28 1.61 3.08 -1.66 -2.88 114.38 114.77 3ksc h ARG 216 Ca -0.33 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.47 3ksc h ARG 216 Cb 1.24 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3ksc h ARG 216 CO 0.37 0.94 0.00 0.09 -1.07 0.00 0.00 179.97 180.30 3ksc n ASN 217 N -4.30 2.01 -4.89 7.04 3.02 -1.26 -4.94 115.26 111.95 3ksc n ASN 217 Ca 0.05 -1.84 -0.32 0.00 -0.03 0.00 0.00 54.58 52.43 3ksc n ASN 217 Cb 0.24 -0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.18 3ksc n ASN 217 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ksc s GLU 218 N -1.64 3.69 0.12 3.52 2.12 -1.09 -5.09 118.70 120.34 3ksc s GLU 218 Ca 0.31 0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.61 3ksc s GLU 218 Cb 0.17 -2.84 -0.06 0.00 0.26 0.00 0.00 34.13 31.66 3ksc s GLU 218 CO 0.24 0.45 0.41 0.34 -0.54 0.00 0.00 175.26 176.16 3ksc s ASP 219 N -2.27 6.57 0.56 -1.70 3.68 -1.26 -4.83 116.67 117.42 3ksc s ASP 219 Ca 0.41 0.71 0.27 0.00 2.13 0.00 0.00 52.55 56.07 3ksc s ASP 219 Cb -0.12 -2.14 1.63 0.00 -1.45 0.00 0.00 42.92 40.84 3ksc s ASP 219 CO 0.22 0.09 2.18 -0.33 0.13 0.00 0.00 175.17 177.46 3ksc h GLU 220 N 3.18 0.00 0.00 4.34 5.08 -1.99 -2.51 114.58 122.67 3ksc h GLU 220 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3ksc h GLU 220 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ksc h GLU 220 CO 0.69 0.05 -0.01 0.93 -1.00 0.00 0.00 179.01 179.68 3ksc h GLU 221 N 0.00 0.00 0.72 2.33 5.08 -1.91 -3.26 114.58 117.54 3ksc h GLU 221 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3ksc h GLU 221 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ksc h GLU 221 CO 0.01 0.01 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.46 3ksc h LYS 222 N 0.00 -0.93 0.00 2.33 3.64 -1.78 -3.08 116.57 116.76 3ksc h LYS 222 Ca -0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3ksc h LYS 222 Cb 0.53 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3ksc h LYS 222 CO 0.00 -0.62 0.00 0.41 -2.27 0.00 0.00 179.45 176.98 3ksc n GLY 223 N -1.45 -1.91 0.15 5.01 0.00 -1.23 0.59 105.19 106.35 3ksc n GLY 223 Ca -0.14 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.20 3ksc n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksc h ALA 224 N 0.00 0.87 -3.49 4.61 0.00 -1.92 -3.43 119.26 115.90 3ksc h ALA 224 Ca 0.00 -0.48 -0.67 0.00 0.00 0.00 0.00 54.91 53.76 3ksc h ALA 224 Cb 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 17.43 3ksc h ALA 224 CO 0.00 0.66 -0.80 0.42 0.00 0.00 0.00 179.25 179.53 3ksc s ILE 225 N -3.41 2.77 -0.00 0.00 1.01 -1.26 -1.78 121.20 118.53 3ksc s ILE 225 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3ksc s ILE 225 Cb 0.11 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 3ksc s ILE 225 CO 0.73 0.54 -0.05 0.54 0.00 0.00 0.00 174.94 176.71 3ksc s VAL 226 N 0.15 0.37 -0.09 2.92 0.11 -0.74 -1.91 120.40 121.21 3ksc s VAL 226 Ca -0.09 -0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 3ksc s VAL 226 Cb -0.15 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 3ksc s VAL 226 CO 0.05 0.07 1.20 -0.54 -3.33 0.00 0.00 175.10 172.56 3ksc s LYS 227 N -0.21 4.32 -0.71 1.54 1.02 -1.26 -0.07 119.74 124.37 3ksc s LYS 227 Ca 0.01 1.65 -0.23 0.00 0.02 0.00 0.00 55.97 57.42 3ksc s LYS 227 Cb -0.02 -3.62 0.07 0.00 -0.52 0.00 0.00 37.83 33.74 3ksc s LYS 227 CO -0.00 -0.52 1.04 0.08 -0.92 0.00 0.00 175.35 175.03 3ksc s VAL 228 N 2.59 4.25 0.06 3.17 1.01 -0.10 -4.94 120.40 126.45 3ksc s VAL 228 Ca 0.55 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 3ksc s VAL 228 Cb -0.23 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 3ksc s VAL 228 CO 0.19 -1.54 0.96 0.29 0.00 0.00 0.00 175.10 175.00 3ksc n LYS 229 N 7.90 -0.17 -0.28 2.72 4.76 -1.26 -0.07 118.16 131.75 3ksc n LYS 229 Ca 0.01 0.95 0.09 0.00 -2.87 0.00 0.00 58.31 56.49 3ksc n LYS 229 Cb 0.46 -1.41 0.24 0.00 -1.84 0.00 0.00 35.03 32.48 3ksc n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ksc n GLY 230 N -1.10 1.56 0.00 0.72 0.00 -1.26 -5.03 105.19 100.08 3ksc n GLY 230 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3ksc n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksc n GLY 231 N 1.35 -1.26 3.70 -0.02 0.00 0.90 -4.93 105.19 104.93 3ksc n GLY 231 Ca 0.18 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 3ksc n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ksc s LEU 232 N -2.16 4.32 -1.07 0.99 1.43 -1.26 -4.97 118.68 115.95 3ksc s LEU 232 Ca 0.00 1.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.74 3ksc s LEU 232 Cb 0.00 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.79 3ksc s LEU 232 CO 0.00 -0.48 1.32 -0.55 0.23 0.00 0.00 176.35 176.88 3ksc s SER 233 N 1.23 6.80 -0.21 2.29 0.15 -1.26 -4.93 113.70 117.76 3ksc s SER 233 Ca 0.55 -2.38 -0.10 0.00 0.70 0.00 0.00 55.95 54.72 3ksc s SER 233 Cb -0.25 -2.43 0.08 0.00 -1.71 0.00 0.00 66.02 61.71 3ksc s SER 233 CO 0.25 -1.00 0.50 0.27 1.20 0.00 0.00 173.24 174.46 3ksc s ILE 234 N 2.62 -0.22 -0.04 6.45 -5.25 -1.26 -5.15 121.20 118.35 3ksc s ILE 234 Ca 0.39 0.08 -0.06 0.00 -0.99 0.00 0.00 60.65 60.08 3ksc s ILE 234 Cb -0.03 -0.75 0.01 0.00 2.95 0.00 0.00 42.46 44.64 3ksc s ILE 234 CO -0.05 0.03 0.15 0.27 -1.79 0.00 0.00 174.94 173.55 3ksc s ILE 235 N 1.82 0.03 0.00 8.37 -0.00 -1.26 -5.06 121.20 125.10 3ksc s ILE 235 Ca -0.08 -0.21 0.00 0.00 -0.00 0.00 0.00 60.65 60.36 3ksc s ILE 235 Cb -0.09 -0.28 0.00 0.00 -0.00 0.00 0.00 42.46 42.09 3ksc s ILE 235 CO -0.15 -0.11 0.00 -1.20 -0.00 0.00 0.00 174.94 173.47 3ksc n SER 236 N 2.54 0.00 -4.56 4.36 7.64 -1.26 -5.04 113.62 117.30 3ksc n SER 236 Ca -0.15 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.38 3ksc n SER 236 Cb 0.58 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.89 3ksc n SER 236 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3ksc n PRO 237 N -0.96 0.14 0.00 1.43 -0.02 -1.26 -5.02 135.00 129.31 3ksc n PRO 237 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3ksc n PRO 237 Cb 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3ksc n PRO 237 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ksc n PRO 238 N -2.11 0.00 0.00 0.52 -0.02 -1.26 -5.14 135.00 126.99 3ksc n PRO 238 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3ksc n PRO 238 Cb 0.51 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 3ksc n PRO 238 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ksc n THR 316 N 0.65 0.00 -3.62 3.45 -2.24 -1.26 -5.24 114.28 106.02 3ksc n THR 316 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3ksc n THR 316 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 3ksc n THR 316 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ksc s VAL 317 N -2.76 0.21 -0.49 2.28 1.01 -1.26 -4.89 120.40 114.50 3ksc s VAL 317 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3ksc s VAL 317 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3ksc s VAL 317 CO 0.00 -0.59 0.41 0.00 0.00 0.00 0.00 175.10 174.92 3ksc n THR 319 N -0.75 0.03 -1.44 0.00 5.66 -1.26 -4.88 114.28 111.65 3ksc n THR 319 Ca 0.02 0.01 -0.31 0.00 -3.05 0.00 0.00 64.05 60.72 3ksc n THR 319 Cb 0.13 -0.59 0.07 0.00 -1.55 0.00 0.00 70.33 68.39 3ksc n THR 319 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ksc s ALA 320 N -2.11 2.39 0.10 1.79 0.00 -1.26 -4.99 121.76 117.68 3ksc s ALA 320 Ca 0.37 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 3ksc s ALA 320 Cb 0.18 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 3ksc s ALA 320 CO 0.33 -1.55 1.15 0.21 0.00 0.00 0.00 175.76 175.90 3ksc s LYS 321 N -4.74 4.50 0.00 0.00 2.20 -1.26 -4.92 119.74 115.51 3ksc s LYS 321 Ca 0.62 1.73 0.13 0.00 -0.36 0.00 0.00 55.97 58.09 3ksc s LYS 321 Cb -0.17 -3.33 0.29 0.00 -1.51 0.00 0.00 37.83 33.11 3ksc s LYS 321 CO 0.52 -0.13 1.19 1.28 -0.36 0.00 0.00 175.35 177.85 3ksc n LEU 322 N 3.34 2.80 -3.63 5.43 4.32 -1.26 -4.53 117.00 123.47 3ksc n LEU 322 Ca 0.06 -1.66 -0.11 0.00 -0.02 0.00 0.00 56.01 54.28 3ksc n LEU 322 Cb 0.47 -0.19 -0.07 0.00 -1.62 0.00 0.00 43.42 42.01 3ksc n LEU 322 CO 0.55 0.65 0.49 -0.60 -1.22 0.00 0.00 177.39 177.26 3ksc s ARG 323 N -1.05 0.71 -0.25 3.23 3.52 -1.26 -1.12 118.95 122.74 3ksc s ARG 323 Ca 0.24 0.94 -0.18 0.00 -0.13 0.00 0.00 55.73 56.60 3ksc s ARG 323 Cb 0.14 0.29 0.07 0.00 -1.56 0.00 0.00 34.95 33.89 3ksc s ARG 323 CO 0.19 -0.10 0.63 -1.17 -0.81 0.00 0.00 175.30 174.04 3ksc s LEU 324 N 0.69 -0.59 -0.12 -0.88 0.20 -0.77 -5.00 118.68 112.21 3ksc s LEU 324 Ca -0.02 1.33 -0.18 0.00 0.69 0.00 0.00 54.13 55.94 3ksc s LEU 324 Cb -0.05 2.16 -0.04 0.00 -0.43 0.00 0.00 46.19 47.83 3ksc s LEU 324 CO -0.06 -0.23 0.48 0.21 -0.29 0.00 0.00 176.35 176.46 3ksc s ASN 325 N 0.95 6.67 -0.11 3.68 3.84 -1.26 -1.21 114.94 127.50 3ksc s ASN 325 Ca -0.05 0.80 0.16 0.00 0.21 0.00 0.00 52.86 53.99 3ksc s ASN 325 Cb -0.05 -2.29 0.25 0.00 -0.55 0.00 0.00 41.25 38.61 3ksc s ASN 325 CO -0.08 -0.01 1.13 2.30 -2.79 0.00 0.00 177.10 177.64 3ksc n ILE 326 N 3.74 1.64 -1.44 -5.21 -5.35 0.07 -4.56 119.36 108.25 3ksc n ILE 326 Ca -0.07 -1.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.44 3ksc n ILE 326 Cb 0.52 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 3ksc n ILE 326 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksc n GLY 327 N -1.25 -0.27 0.30 3.28 0.00 -1.18 -4.74 105.19 101.34 3ksc n GLY 327 Ca 0.14 -1.79 0.16 0.00 0.00 0.00 0.00 46.02 44.53 3ksc n GLY 327 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ksc h PRO 328 N 0.00 0.00 -0.00 1.61 0.13 -1.94 -0.97 132.00 130.83 3ksc h PRO 328 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 3ksc h PRO 328 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3ksc h PRO 328 CO 0.00 0.00 -0.75 0.66 -0.23 0.00 0.00 178.00 177.68 3ksc h SER 329 N 0.00 0.02 -4.23 1.44 4.64 -1.94 -3.46 113.55 110.03 3ksc h SER 329 Ca 0.00 -0.01 -0.49 0.00 -0.47 0.00 0.00 61.79 60.81 3ksc h SER 329 Cb 0.39 -0.01 0.06 0.00 -0.31 0.00 0.00 62.40 62.53 3ksc h SER 329 CO 0.00 0.77 0.38 -0.94 -0.87 0.00 0.00 176.83 176.16 3ksc s SER 330 N -6.81 5.95 -0.13 4.97 1.04 -0.37 -4.99 113.70 113.35 3ksc s SER 330 Ca -0.01 1.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.83 3ksc s SER 330 Cb 0.12 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 3ksc s SER 330 CO 0.79 -1.05 1.10 -0.55 0.98 0.00 0.00 173.24 174.51 3ksc s SER 331 N -3.09 7.11 0.58 7.02 0.15 -1.26 -4.93 113.70 119.27 3ksc s SER 331 Ca 0.61 1.59 -0.20 0.00 0.70 0.00 0.00 55.95 58.65 3ksc s SER 331 Cb -0.14 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 3ksc s SER 331 CO 0.39 -0.59 1.25 -2.84 1.20 0.00 0.00 173.24 172.66 3ksc s PRO 332 N 2.61 3.01 -0.03 5.44 0.02 -1.26 -4.95 135.00 139.84 3ksc s PRO 332 Ca 0.50 1.95 -0.25 0.00 0.02 0.00 0.00 61.00 63.22 3ksc s PRO 332 Cb -0.20 -2.03 -0.20 0.00 0.02 0.00 0.00 34.50 32.09 3ksc s PRO 332 CO 0.15 -1.21 1.19 -0.44 -0.33 0.00 0.00 177.00 176.36 3ksc h ASP 333 N 1.06 0.09 -3.27 2.53 3.32 0.01 -3.43 116.42 116.75 3ksc h ASP 333 Ca -0.51 -0.59 -0.63 0.00 0.02 0.00 0.00 57.03 55.32 3ksc h ASP 333 Cb 1.30 -0.03 -0.34 0.00 0.22 0.00 0.00 39.33 40.48 3ksc h ASP 333 CO 0.56 0.66 -0.86 -0.63 -1.72 0.00 0.00 179.24 177.25 3ksc s ILE 334 N -3.87 1.80 -0.08 0.35 1.01 -0.89 -4.98 121.20 114.54 3ksc s ILE 334 Ca -0.16 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.69 3ksc s ILE 334 Cb 0.02 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.88 3ksc s ILE 334 CO 0.70 0.50 -0.20 -0.47 0.00 0.00 0.00 174.94 175.47 3ksc s TYR 335 N 0.77 2.16 -0.16 3.97 5.04 -1.26 -0.71 117.35 127.16 3ksc s TYR 335 Ca -0.10 -0.80 -0.01 0.00 -2.44 0.00 0.00 57.07 53.71 3ksc s TYR 335 Cb -0.16 -1.46 0.05 0.00 0.35 0.00 0.00 41.96 40.74 3ksc s TYR 335 CO 0.01 -0.32 -0.01 1.21 -1.34 0.00 0.00 175.55 175.09 3ksc s ASN 336 N 0.32 2.60 0.54 4.32 3.84 0.50 -5.01 114.94 122.05 3ksc s ASN 336 Ca -0.14 -0.60 0.31 0.00 0.21 0.00 0.00 52.86 52.64 3ksc s ASN 336 Cb -0.16 -0.70 1.47 0.00 -0.55 0.00 0.00 41.25 41.31 3ksc s ASN 336 CO 0.06 -0.23 1.90 -0.65 -2.79 0.00 0.00 177.10 175.39 3ksc h PRO 337 N 8.21 0.00 -0.38 0.43 0.11 -2.00 0.10 132.00 138.47 3ksc h PRO 337 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ksc h PRO 337 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ksc h PRO 337 CO 0.35 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.53 3ksc n GLU 338 N -4.19 2.37 0.00 1.05 -0.58 -1.26 -4.66 120.64 113.37 3ksc n GLU 338 Ca 0.16 -2.12 0.00 0.00 -0.42 0.00 0.00 57.16 54.78 3ksc n GLU 338 Cb 0.89 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 3ksc n GLU 338 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ksc n ALA 339 N 1.09 1.97 0.00 0.62 0.00 -0.52 -4.10 120.51 119.57 3ksc n ALA 339 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3ksc n ALA 339 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3ksc n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 340 N 1.73 0.62 3.26 0.00 0.00 0.25 0.11 105.19 111.16 3ksc n GLY 340 Ca 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 3ksc n GLY 340 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ksc s ARG 341 N -1.91 0.82 -0.05 1.61 1.70 -0.74 -0.37 118.95 120.02 3ksc s ARG 341 Ca 0.00 -0.50 0.02 0.00 -0.47 0.00 0.00 55.73 54.78 3ksc s ARG 341 Cb 0.00 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 3ksc s ARG 341 CO 0.00 -0.26 -0.09 0.42 -1.08 0.00 0.00 175.30 174.29 3ksc s ILE 342 N -2.57 0.83 -0.04 4.99 -1.09 0.11 -1.46 121.20 121.97 3ksc s ILE 342 Ca -0.05 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.07 3ksc s ILE 342 Cb -0.01 -0.77 0.01 0.00 -1.58 0.00 0.00 42.46 40.11 3ksc s ILE 342 CO -0.03 0.28 -0.09 -0.75 -1.23 0.00 0.00 174.94 173.12 3ksc s LYS 343 N 0.60 1.13 0.02 2.79 2.36 -0.34 0.80 119.74 127.10 3ksc s LYS 343 Ca -0.10 -0.29 0.06 0.00 -2.55 0.00 0.00 55.97 53.09 3ksc s LYS 343 Cb -0.13 -1.03 -0.02 0.00 -1.05 0.00 0.00 37.83 35.60 3ksc s LYS 343 CO 0.02 0.04 -0.17 0.95 1.55 0.00 0.00 175.35 177.74 3ksc s THR 344 N 0.49 1.34 -0.16 3.43 -4.23 -1.26 0.40 115.64 115.66 3ksc s THR 344 Ca -0.08 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.47 3ksc s THR 344 Cb -0.12 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 3ksc s THR 344 CO 0.01 0.21 -0.06 0.54 -0.54 0.00 0.00 174.62 174.78 3ksc s VAL 345 N -0.64 3.54 0.20 2.29 0.11 0.02 -5.00 120.40 120.92 3ksc s VAL 345 Ca 0.05 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 3ksc s VAL 345 Cb -0.07 -2.55 -0.00 0.00 -1.53 0.00 0.00 36.38 32.22 3ksc s VAL 345 CO 0.01 0.49 0.05 0.35 -3.33 0.00 0.00 175.10 172.66 3ksc n THR 346 N 3.81 0.00 0.57 5.04 -2.24 -1.26 -2.25 114.28 117.96 3ksc n THR 346 Ca -0.18 -1.09 0.08 0.00 -2.27 0.00 0.00 64.05 60.59 3ksc n THR 346 Cb 0.52 0.34 0.35 0.00 -2.10 0.00 0.00 70.33 69.44 3ksc n THR 346 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ksc n SER 347 N -1.62 0.00 0.01 3.42 3.41 -0.98 0.21 113.62 118.08 3ksc n SER 347 Ca -0.05 0.45 -0.10 0.00 -0.26 0.00 0.00 58.87 58.92 3ksc n SER 347 Cb 0.29 -0.48 0.05 0.00 -0.26 0.00 0.00 64.21 63.81 3ksc n SER 347 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ksc h LEU 348 N 0.00 0.60 0.13 1.04 3.38 -1.94 -3.02 115.31 115.49 3ksc h LEU 348 Ca 0.00 -0.33 -0.36 0.00 0.09 0.00 0.00 57.88 57.28 3ksc h LEU 348 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ksc h LEU 348 CO 0.00 1.05 -1.94 0.44 0.09 0.00 0.00 178.44 178.08 3ksc h ASP 349 N 0.40 0.42 -2.70 -0.43 5.19 -1.63 -3.44 116.42 114.23 3ksc h ASP 349 Ca -0.00 -0.94 -0.60 0.00 -0.62 0.00 0.00 57.03 54.87 3ksc h ASP 349 Cb 1.14 -0.14 -0.40 0.00 0.18 0.00 0.00 39.33 40.11 3ksc h ASP 349 CO 0.11 1.84 -0.81 -0.22 -3.12 0.00 0.00 179.24 177.04 3ksc s LEU 350 N -7.11 2.80 0.51 1.55 2.96 0.13 -4.98 118.68 114.54 3ksc s LEU 350 Ca -0.22 -3.35 0.39 0.00 -0.22 0.00 0.00 54.13 50.73 3ksc s LEU 350 Cb 0.06 -0.93 1.57 0.00 0.50 0.00 0.00 46.19 47.39 3ksc s LEU 350 CO 0.77 -0.14 1.65 -0.65 -1.32 0.00 0.00 176.35 176.66 3ksc h PRO 351 N 5.61 0.04 0.00 0.98 0.11 -1.76 0.45 132.00 137.43 3ksc h PRO 351 Ca 0.21 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 3ksc h PRO 351 Cb 0.85 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3ksc h PRO 351 CO 0.51 0.03 -0.16 -0.24 -0.21 0.00 0.00 178.00 177.93 3ksc h VAL 352 N 0.05 0.56 0.00 3.15 3.04 -1.86 -1.48 116.25 119.70 3ksc h VAL 352 Ca 0.80 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 3ksc h VAL 352 Cb 2.95 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 33.72 3ksc h VAL 352 CO -0.16 0.16 0.09 -0.07 -1.01 0.00 0.00 177.57 176.58 3ksc h LEU 353 N 0.00 0.00 -1.24 3.16 4.07 -0.40 -1.49 115.31 119.41 3ksc h LEU 353 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3ksc h LEU 353 Cb 0.48 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 3ksc h LEU 353 CO 0.02 0.00 -0.33 -0.09 -1.08 0.00 0.00 178.44 176.96 3ksc h ARG 354 N 0.00 0.00 0.00 1.13 2.43 -1.44 0.20 114.38 116.70 3ksc h ARG 354 Ca 0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 3ksc h ARG 354 Cb 0.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3ksc h ARG 354 CO 0.00 0.33 -1.51 -1.49 -1.51 0.00 0.00 179.97 175.79 3ksc h TRP 355 N 0.00 0.00 0.03 2.20 4.06 -1.46 -3.34 115.95 117.43 3ksc h TRP 355 Ca -0.00 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.72 3ksc h TRP 355 Cb 0.71 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.84 3ksc h TRP 355 CO 0.00 0.95 -1.05 -0.07 -3.56 0.00 0.00 178.44 174.70 3ksc h LEU 356 N 0.00 0.09 -1.28 -4.49 4.07 -1.47 -3.48 115.31 108.75 3ksc h LEU 356 Ca -0.21 -0.10 -0.35 0.00 0.08 0.00 0.00 57.88 57.30 3ksc h LEU 356 Cb 1.91 -0.03 0.15 0.00 1.08 0.00 0.00 40.66 43.77 3ksc h LEU 356 CO 0.09 1.08 -0.70 0.29 -1.08 0.00 0.00 178.44 178.11 3ksc n LYS 357 N -3.39 -7.03 -4.17 1.13 5.02 0.69 -4.92 118.16 105.50 3ksc n LYS 357 Ca -0.02 0.81 -0.17 0.00 -2.02 0.00 0.00 58.31 56.91 3ksc n LYS 357 Cb 0.96 -5.76 -0.12 0.00 -0.02 0.00 0.00 35.03 30.09 3ksc n LYS 357 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ksc s LEU 358 N -6.63 2.26 0.33 -0.35 1.43 -1.22 -2.14 118.68 112.37 3ksc s LEU 358 Ca 0.27 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 3ksc s LEU 358 Cb -0.12 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.65 3ksc s LEU 358 CO 0.70 -0.09 0.50 -0.94 0.23 0.00 0.00 176.35 176.75 3ksc s SER 359 N -1.64 0.71 0.05 2.29 1.04 -0.51 -4.08 113.70 111.55 3ksc s SER 359 Ca -0.03 -1.39 -0.12 0.00 0.48 0.00 0.00 55.95 54.89 3ksc s SER 359 Cb -0.10 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3ksc s SER 359 CO 0.02 -1.31 0.25 0.00 0.98 0.00 0.00 173.24 173.18 3ksc s ALA 360 N -3.11 -0.52 -0.07 5.32 0.00 -0.95 -0.71 121.76 121.72 3ksc s ALA 360 Ca 0.28 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3ksc s ALA 360 Cb -0.01 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.46 3ksc s ALA 360 CO 0.18 -0.41 -0.13 -2.00 0.00 0.00 0.00 175.76 173.41 3ksc s GLU 361 N -2.71 1.78 -0.10 0.00 2.12 -0.14 -0.80 118.70 118.86 3ksc s GLU 361 Ca -0.04 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 3ksc s GLU 361 Cb -0.00 -1.49 -0.03 0.00 0.26 0.00 0.00 34.13 32.86 3ksc s GLU 361 CO -0.04 0.01 0.02 -1.58 -0.54 0.00 0.00 175.26 173.12 3ksc s HIS 362 N 0.74 3.21 -0.00 5.30 5.65 0.16 0.10 115.29 130.46 3ksc s HIS 362 Ca -0.13 0.19 -0.00 0.00 0.25 0.00 0.00 55.06 55.37 3ksc s HIS 362 Cb -0.16 -1.84 -0.00 0.00 -1.18 0.00 0.00 32.58 29.40 3ksc s HIS 362 CO 0.03 0.44 0.01 0.20 -0.65 0.00 0.00 174.74 174.76 3ksc s GLY 363 N -0.71 0.01 -0.06 1.59 0.00 -0.65 -1.20 107.32 106.29 3ksc s GLY 363 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.84 3ksc s GLY 363 CO 0.02 -0.02 -0.10 -0.45 0.00 0.00 0.00 173.10 172.55 3ksc s SER 364 N -0.09 1.61 -0.08 1.64 0.15 -0.54 -1.37 113.70 115.03 3ksc s SER 364 Ca -0.01 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.40 3ksc s SER 364 Cb -0.01 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.58 3ksc s SER 364 CO -0.00 0.00 -0.13 -0.76 1.20 0.00 0.00 173.24 173.55 3ksc s LEU 365 N 0.79 1.63 0.98 3.45 1.43 0.21 -1.79 118.68 125.38 3ksc s LEU 365 Ca -0.13 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3ksc s LEU 365 Cb -0.15 -0.91 0.18 0.00 0.03 0.00 0.00 46.19 45.34 3ksc s LEU 365 CO 0.02 0.02 1.10 -1.00 0.23 0.00 0.00 176.35 176.72 3ksc s HIS 366 N 0.83 1.72 0.09 0.29 3.76 0.12 -0.72 115.29 121.38 3ksc s HIS 366 Ca -0.11 1.50 -0.32 0.00 -0.15 0.00 0.00 55.06 55.97 3ksc s HIS 366 Cb -0.15 -3.21 -0.11 0.00 1.11 0.00 0.00 32.58 30.21 3ksc s HIS 366 CO 0.02 -3.01 1.81 1.17 -0.85 0.00 0.00 174.74 173.88 3ksc n LYS 367 N -4.35 2.60 -0.54 1.40 4.81 -0.90 -1.73 118.16 119.45 3ksc n LYS 367 Ca 0.08 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 3ksc n LYS 367 Cb 0.53 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.77 3ksc n LYS 367 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ksc n ASN 368 N 5.54 0.00 -4.79 3.14 5.03 0.13 -4.61 115.26 119.69 3ksc n ASN 368 Ca 0.19 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.31 3ksc n ASN 368 Cb 0.35 -0.67 0.03 0.00 -1.02 0.00 0.00 39.78 38.47 3ksc n ASN 368 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ksc s ALA 369 N -2.81 2.63 0.09 5.41 0.00 -0.71 -4.03 121.76 122.34 3ksc s ALA 369 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3ksc s ALA 369 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 3ksc s ALA 369 CO 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 175.76 174.70 3ksc s MET 370 N -4.09 0.78 -0.03 0.00 0.23 0.15 -1.15 119.30 115.19 3ksc s MET 370 Ca 0.65 -1.32 -0.09 0.00 -1.03 0.00 0.00 55.69 53.90 3ksc s MET 370 Cb -0.18 -0.05 -0.05 0.00 -1.53 0.00 0.00 34.83 33.02 3ksc s MET 370 CO 0.39 -0.07 0.28 -0.59 -2.03 0.00 0.00 175.02 173.01 3ksc s PHE 371 N -3.75 3.63 0.85 3.16 -0.12 -0.78 0.50 117.98 121.47 3ksc s PHE 371 Ca 0.12 0.71 -0.12 0.00 -0.05 0.00 0.00 56.93 57.59 3ksc s PHE 371 Cb 0.06 -2.08 0.11 0.00 -0.63 0.00 0.00 43.02 40.48 3ksc s PHE 371 CO -0.06 0.65 1.17 0.14 -0.05 0.00 0.00 175.22 177.08 3ksc s VAL 372 N -1.16 2.14 0.48 -2.49 -7.23 0.25 -3.57 120.40 108.82 3ksc s VAL 372 Ca 0.23 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 60.22 3ksc s VAL 372 Cb -0.14 -2.29 -0.07 0.00 0.56 0.00 0.00 36.38 34.44 3ksc s VAL 372 CO 0.12 -0.05 1.34 -2.84 -0.31 0.00 0.00 175.10 173.36 3ksc s PRO 373 N -4.40 3.54 0.18 4.82 0.02 -1.26 -4.74 135.00 133.17 3ksc s PRO 373 Ca 0.70 2.21 -0.24 0.00 0.02 0.00 0.00 61.00 63.69 3ksc s PRO 373 Cb -0.25 -2.49 0.05 0.00 0.02 0.00 0.00 34.50 31.83 3ksc s PRO 373 CO 0.54 -0.86 0.91 -3.38 -0.33 0.00 0.00 177.00 173.88 3ksc s HIS 374 N -1.30 -0.13 0.02 6.54 -3.43 -0.94 -0.29 115.29 115.76 3ksc s HIS 374 Ca 0.65 -0.22 -0.06 0.00 -0.80 0.00 0.00 55.06 54.62 3ksc s HIS 374 Cb -0.39 0.66 -0.00 0.00 -1.43 0.00 0.00 32.58 31.41 3ksc s HIS 374 CO 0.49 -0.93 0.12 1.52 -2.00 0.00 0.00 174.74 173.94 3ksc s TYR 375 N -3.36 0.12 -0.18 0.38 -0.85 -0.41 -0.94 117.35 112.11 3ksc s TYR 375 Ca 0.12 -0.31 -0.24 0.00 -0.52 0.00 0.00 57.07 56.12 3ksc s TYR 375 Cb -0.02 -0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.21 3ksc s TYR 375 CO 0.04 -0.33 0.77 -0.80 -1.52 0.00 0.00 175.55 173.71 3ksc s ASN 376 N -1.76 6.87 0.13 -0.18 0.01 -1.26 -0.25 114.94 118.50 3ksc s ASN 376 Ca -0.10 1.06 -0.20 0.00 -0.71 0.00 0.00 52.86 52.91 3ksc s ASN 376 Cb -0.05 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 3ksc s ASN 376 CO -0.01 -0.37 1.70 -0.07 -1.51 0.00 0.00 177.10 176.84 3ksc h LEU 377 N 8.37 -0.19 -4.27 0.60 4.07 -1.34 -0.91 115.31 121.65 3ksc h LEU 377 Ca -0.29 0.06 -0.22 0.00 0.08 0.00 0.00 57.88 57.51 3ksc h LEU 377 Cb 1.13 0.12 -0.38 0.00 1.08 0.00 0.00 40.66 42.61 3ksc h LEU 377 CO 0.82 -0.07 -1.06 -0.46 -1.08 0.00 0.00 178.44 176.60 3ksc n ASN 378 N -5.20 1.46 -3.57 -0.43 6.94 -1.26 -4.62 115.26 108.59 3ksc n ASN 378 Ca -0.03 -2.14 -0.17 0.00 -0.02 0.00 0.00 54.58 52.23 3ksc n ASN 378 Cb 0.12 -0.40 -0.07 0.00 -2.36 0.00 0.00 39.78 37.08 3ksc n ASN 378 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ksc s ALA 379 N -2.18 -1.57 0.44 -2.53 0.00 -1.26 -4.66 121.76 109.99 3ksc s ALA 379 Ca 0.31 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 3ksc s ALA 379 Cb 0.35 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.43 3ksc s ALA 379 CO -0.09 -0.35 0.81 -0.80 0.00 0.00 0.00 175.76 175.33 3ksc s ASN 380 N -1.22 6.49 -0.03 0.00 0.01 -1.26 -3.42 114.94 115.50 3ksc s ASN 380 Ca -0.11 1.18 0.04 0.00 -0.71 0.00 0.00 52.86 53.26 3ksc s ASN 380 Cb -0.01 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 3ksc s ASN 380 CO 0.09 -0.47 -0.16 -0.44 -1.51 0.00 0.00 177.10 174.60 3ksc s SER 381 N -3.32 2.01 -0.40 -1.22 0.01 -0.61 -1.85 113.70 108.32 3ksc s SER 381 Ca 0.52 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 57.38 3ksc s SER 381 Cb -0.10 -0.44 0.08 0.00 0.21 0.00 0.00 66.02 65.77 3ksc s SER 381 CO 0.34 0.17 0.22 -0.63 0.41 0.00 0.00 173.24 173.75 3ksc s ILE 382 N -0.11 3.95 -0.41 1.44 -1.09 0.84 -1.50 121.20 124.32 3ksc s ILE 382 Ca 0.00 -1.48 -0.25 0.00 -2.23 0.00 0.00 60.65 56.69 3ksc s ILE 382 Cb -0.09 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.37 3ksc s ILE 382 CO 0.01 -0.48 0.88 -0.63 -1.23 0.00 0.00 174.94 173.49 3ksc s ILE 383 N 1.36 4.59 -0.19 2.92 1.01 -0.55 -0.78 121.20 129.56 3ksc s ILE 383 Ca 0.03 0.89 -0.04 0.00 0.00 0.00 0.00 60.65 61.53 3ksc s ILE 383 Cb -0.22 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 37.89 3ksc s ILE 383 CO 0.01 -0.63 -0.04 -0.47 0.00 0.00 0.00 174.94 173.80 3ksc s TYR 384 N 3.46 2.97 -0.15 3.97 5.04 0.59 -1.39 117.35 131.84 3ksc s TYR 384 Ca 0.35 -0.64 -0.28 0.00 -2.44 0.00 0.00 57.07 54.06 3ksc s TYR 384 Cb -0.12 -2.04 -0.01 0.00 0.35 0.00 0.00 41.96 40.15 3ksc s TYR 384 CO 0.21 -0.32 0.97 0.00 -1.34 0.00 0.00 175.55 175.07 3ksc s ALA 385 N 0.99 3.49 -0.08 3.97 0.00 -0.96 -0.61 121.76 128.57 3ksc s ALA 385 Ca 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.15 3ksc s ALA 385 Cb -0.15 -3.41 -0.27 0.00 0.00 0.00 0.00 23.12 19.29 3ksc s ALA 385 CO 0.01 -0.71 0.52 -0.07 0.00 0.00 0.00 175.76 175.51 3ksc h LEU 386 N 8.40 0.44 -7.15 0.00 3.38 -1.13 0.26 115.31 119.51 3ksc h LEU 386 Ca -0.28 -0.83 -0.08 0.00 0.09 0.00 0.00 57.88 56.78 3ksc h LEU 386 Cb 1.12 -0.14 -0.23 0.00 0.09 0.00 0.00 40.66 41.51 3ksc h LEU 386 CO 0.88 1.73 -0.06 -0.75 0.09 0.00 0.00 178.44 180.32 3ksc s LYS 387 N -2.57 0.65 1.26 1.13 2.20 -0.98 -4.70 119.74 116.73 3ksc s LYS 387 Ca -0.18 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 3ksc s LYS 387 Cb 0.06 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 3ksc s LYS 387 CO 0.81 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 3ksc n GLY 388 N 2.93 -1.87 3.16 5.54 0.00 -1.26 -1.06 105.19 112.64 3ksc n GLY 388 Ca -0.14 -1.44 -0.19 0.00 0.00 0.00 0.00 46.02 44.24 3ksc n GLY 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ksc s ARG 389 N 0.00 0.89 0.01 1.61 0.52 -1.26 -1.15 118.95 119.57 3ksc s ARG 389 Ca 0.00 -0.86 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 3ksc s ARG 389 Cb 0.00 -0.91 -0.01 0.00 0.52 0.00 0.00 34.95 34.55 3ksc s ARG 389 CO 0.00 0.22 0.05 0.00 0.02 0.00 0.00 175.30 175.59 3ksc s ALA 390 N -1.04 -0.11 -0.27 2.13 0.00 -1.01 -0.79 121.76 120.68 3ksc s ALA 390 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 3ksc s ALA 390 Cb -0.09 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 3ksc s ALA 390 CO 0.02 -0.17 0.63 0.50 0.00 0.00 0.00 175.76 176.74 3ksc s ARG 391 N -1.26 4.06 0.10 0.00 3.00 0.10 -0.82 118.95 124.14 3ksc s ARG 391 Ca -0.14 0.49 0.08 0.00 -1.00 0.00 0.00 55.73 55.16 3ksc s ARG 391 Cb -0.08 -3.67 -0.04 0.00 0.00 0.00 0.00 34.95 31.16 3ksc s ARG 391 CO 0.00 -0.45 -0.15 -0.51 0.00 0.00 0.00 175.30 174.20 3ksc s LEU 392 N 2.53 2.83 -0.03 -0.88 1.02 -0.01 -0.93 118.68 123.22 3ksc s LEU 392 Ca 0.26 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.95 3ksc s LEU 392 Cb -0.15 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.40 3ksc s LEU 392 CO 0.09 0.19 -0.07 -1.10 0.02 0.00 0.00 176.35 175.48 3ksc s GLN 393 N -2.09 0.83 0.04 1.70 -0.21 -0.43 -1.71 119.66 117.80 3ksc s GLN 393 Ca 0.19 -0.23 0.05 0.00 0.02 0.00 0.00 55.36 55.39 3ksc s GLN 393 Cb -0.11 -0.79 -0.02 0.00 1.00 0.00 0.00 33.01 33.09 3ksc s GLN 393 CO 0.11 0.07 -0.15 0.14 -2.12 0.00 0.00 175.29 173.33 3ksc s VAL 394 N 0.31 1.22 0.03 1.09 -7.23 -0.59 -0.62 120.40 114.61 3ksc s VAL 394 Ca -0.04 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 3ksc s VAL 394 Cb -0.09 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 3ksc s VAL 394 CO 0.00 0.02 -0.13 0.68 -0.31 0.00 0.00 175.10 175.36 3ksc s VAL 395 N -0.89 0.98 0.00 1.32 -7.23 -0.18 -1.70 120.40 112.70 3ksc s VAL 395 Ca 0.02 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3ksc s VAL 395 Cb -0.08 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.96 3ksc s VAL 395 CO 0.02 -0.01 0.00 -0.46 -0.31 0.00 0.00 175.10 174.34 3ksc n ASN 396 N 2.00 0.00 -0.17 4.85 0.23 -0.95 -1.93 115.26 119.29 3ksc n ASN 396 Ca -0.18 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.00 3ksc n ASN 396 Cb 0.55 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.93 3ksc n ASN 396 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ksc n ASN 398 N -0.54 2.20 0.00 0.00 5.03 -1.26 -4.97 115.26 115.71 3ksc n ASN 398 Ca 0.19 -2.72 0.00 0.00 0.87 0.00 0.00 54.58 52.92 3ksc n ASN 398 Cb 0.17 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 3ksc n ASN 398 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ksc n GLY 399 N -1.12 0.40 3.74 7.41 0.00 -1.21 -5.01 105.19 109.41 3ksc n GLY 399 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3ksc n GLY 399 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ksc s ASN 400 N -2.03 7.12 -0.99 1.61 0.02 -1.26 -4.88 114.94 114.53 3ksc s ASN 400 Ca 0.00 1.34 -0.22 0.00 -1.02 0.00 0.00 52.86 52.96 3ksc s ASN 400 Cb 0.00 -2.44 0.07 0.00 0.02 0.00 0.00 41.25 38.90 3ksc s ASN 400 CO 0.00 0.01 1.37 -0.89 0.02 0.00 0.00 177.10 177.61 3ksc s THR 401 N 0.09 4.11 -0.92 1.60 2.01 -1.26 -2.23 115.64 119.04 3ksc s THR 401 Ca 0.37 -0.93 0.25 0.00 0.31 0.00 0.00 61.69 61.69 3ksc s THR 401 Cb -0.19 -4.99 0.22 0.00 0.01 0.00 0.00 72.50 67.55 3ksc s THR 401 CO 0.21 -1.84 1.79 1.33 -0.69 0.00 0.00 174.62 175.42 3ksc n VAL 402 N 6.56 0.38 -3.70 3.82 0.24 -0.69 -4.61 118.33 120.32 3ksc n VAL 402 Ca 0.30 0.02 -0.11 0.00 -2.04 0.00 0.00 64.34 62.51 3ksc n VAL 402 Cb 0.51 -0.67 -0.11 0.00 -1.47 0.00 0.00 33.84 32.10 3ksc n VAL 402 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3ksc s PHE 403 N -3.04 -0.56 -0.38 6.34 5.36 -1.16 -0.32 117.98 124.22 3ksc s PHE 403 Ca 0.11 1.24 0.05 0.00 -0.96 0.00 0.00 56.93 57.37 3ksc s PHE 403 Cb 0.15 0.24 0.16 0.00 -0.34 0.00 0.00 43.02 43.23 3ksc s PHE 403 CO 0.47 -0.31 0.46 0.34 -1.46 0.00 0.00 175.22 174.73 3ksc s ASP 404 N 1.10 0.22 0.00 6.13 2.15 -1.26 -1.55 116.67 123.46 3ksc s ASP 404 Ca -0.07 -1.27 0.00 0.00 0.43 0.00 0.00 52.55 51.64 3ksc s ASP 404 Cb -0.07 1.06 0.00 0.00 -0.30 0.00 0.00 42.92 43.61 3ksc s ASP 404 CO -0.09 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.28 3ksc n GLY 405 N 4.34 1.38 3.86 2.66 0.00 -0.69 -5.02 105.19 111.72 3ksc n GLY 405 Ca 0.11 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3ksc n GLY 405 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ksc s GLU 406 N 1.26 3.55 -0.32 1.61 8.01 -1.26 -0.82 118.70 130.72 3ksc s GLU 406 Ca 0.00 -0.11 0.03 0.00 0.01 0.00 0.00 54.97 54.90 3ksc s GLU 406 Cb 0.00 -3.22 0.09 0.00 -4.31 0.00 0.00 34.13 26.69 3ksc s GLU 406 CO 0.00 0.72 0.03 -1.17 0.01 0.00 0.00 175.26 174.85 3ksc s LEU 407 N -0.87 4.32 0.22 1.80 2.96 -0.00 -4.77 118.68 122.34 3ksc s LEU 407 Ca 0.15 -1.98 -0.01 0.00 -0.22 0.00 0.00 54.13 52.06 3ksc s LEU 407 Cb -0.12 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3ksc s LEU 407 CO 0.04 -0.35 0.42 -1.83 -1.32 0.00 0.00 176.35 173.31 3ksc s GLU 408 N 1.00 3.54 0.17 1.98 -1.05 -1.26 -2.41 118.70 120.66 3ksc s GLU 408 Ca 0.08 -0.28 -0.31 0.00 -0.15 0.00 0.00 54.97 54.30 3ksc s GLU 408 Cb -0.19 -2.80 -0.17 0.00 -0.44 0.00 0.00 34.13 30.53 3ksc s GLU 408 CO -0.09 0.36 0.86 0.00 0.95 0.00 0.00 175.26 177.34 3ksc n ALA 409 N -0.73 -2.13 0.00 -0.84 0.00 -0.30 -1.64 120.51 114.87 3ksc n ALA 409 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3ksc n ALA 409 Cb 0.54 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3ksc n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksc n GLY 410 N 1.79 1.62 3.98 0.00 0.00 0.93 -4.97 105.19 108.54 3ksc n GLY 410 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3ksc n GLY 410 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ksc s ARG 411 N -0.49 3.24 0.08 1.61 0.52 -0.65 -4.76 118.95 118.48 3ksc s ARG 411 Ca 0.00 -0.88 0.07 0.00 -0.52 0.00 0.00 55.73 54.40 3ksc s ARG 411 Cb 0.00 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 3ksc s ARG 411 CO 0.00 0.17 -0.19 0.00 0.02 0.00 0.00 175.30 175.30 3ksc s ALA 412 N -2.13 1.61 -0.02 2.13 0.00 -0.24 -2.26 121.76 120.85 3ksc s ALA 412 Ca 0.41 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3ksc s ALA 412 Cb -0.09 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3ksc s ALA 412 CO 0.31 0.32 -0.04 -1.17 0.00 0.00 0.00 175.76 175.18 3ksc s LEU 413 N -1.62 1.59 -0.21 0.00 2.96 -0.49 0.11 118.68 121.02 3ksc s LEU 413 Ca 0.05 -0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.72 3ksc s LEU 413 Cb -0.09 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.24 3ksc s LEU 413 CO 0.03 -0.01 0.34 -0.89 -1.32 0.00 0.00 176.35 174.49 3ksc s THR 414 N 0.48 5.24 -0.40 3.68 2.01 -1.26 -1.49 115.64 123.89 3ksc s THR 414 Ca -0.05 0.57 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 3ksc s THR 414 Cb -0.09 -3.67 0.10 0.00 0.01 0.00 0.00 72.50 68.85 3ksc s THR 414 CO -0.00 0.27 0.20 -0.69 -0.69 0.00 0.00 174.62 173.71 3ksc s VAL 415 N 1.26 3.48 0.72 3.82 1.01 -0.56 -5.00 120.40 125.12 3ksc s VAL 415 Ca 0.16 -1.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.13 3ksc s VAL 415 Cb -0.14 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.98 3ksc s VAL 415 CO 0.07 -0.60 1.26 -2.84 0.00 0.00 0.00 175.10 172.99 3ksc s PRO 416 N 1.22 2.16 0.23 2.72 0.02 -1.26 -1.57 135.00 138.51 3ksc s PRO 416 Ca 0.06 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 3ksc s PRO 416 Cb -0.23 -1.81 -0.15 0.00 0.02 0.00 0.00 34.50 32.32 3ksc s PRO 416 CO -0.03 -1.86 0.89 0.94 -0.33 0.00 0.00 177.00 176.61 3ksc n GLN 417 N -2.50 0.85 0.00 5.54 7.27 -1.22 -1.87 117.38 125.44 3ksc n GLN 417 Ca 0.15 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.52 3ksc n GLN 417 Cb 0.49 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.56 3ksc n GLN 417 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3ksc n ASN 418 N 1.62 0.00 -4.77 1.69 5.03 -0.34 -4.98 115.26 113.51 3ksc n ASN 418 Ca 0.14 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.18 3ksc n ASN 418 Cb 0.27 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 3ksc n ASN 418 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3ksc s TYR 419 N -0.70 2.64 0.01 3.10 1.51 -0.78 -4.82 117.35 118.30 3ksc s TYR 419 Ca 0.00 1.28 -0.12 0.00 -1.01 0.00 0.00 57.07 57.22 3ksc s TYR 419 Cb 0.00 -3.88 -0.05 0.00 -0.11 0.00 0.00 41.96 37.92 3ksc s TYR 419 CO 0.00 -2.67 0.36 0.00 -1.11 0.00 0.00 175.55 172.13 3ksc s ALA 420 N -1.18 3.74 0.02 3.71 0.00 -0.81 -4.37 121.76 122.86 3ksc s ALA 420 Ca 0.56 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.20 3ksc s ALA 420 Cb -0.43 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 3ksc s ALA 420 CO 0.57 0.54 -0.07 0.54 0.00 0.00 0.00 175.76 177.33 3ksc s VAL 421 N -1.17 0.54 0.00 0.00 0.11 -0.11 -1.01 120.40 118.75 3ksc s VAL 421 Ca 0.25 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 3ksc s VAL 421 Cb -0.15 -0.52 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 3ksc s VAL 421 CO 0.13 -0.10 -0.02 0.00 -3.33 0.00 0.00 175.10 171.79 3ksc s ALA 422 N -0.71 0.12 0.01 1.54 0.00 0.21 -2.22 121.76 120.69 3ksc s ALA 422 Ca -0.03 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 51.86 3ksc s ALA 422 Cb -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3ksc s ALA 422 CO 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 175.76 175.59 3ksc s ALA 423 N -0.20 1.46 -0.07 0.00 0.00 -1.23 -1.31 121.76 120.41 3ksc s ALA 423 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3ksc s ALA 423 Cb -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3ksc s ALA 423 CO -0.00 0.34 -0.06 0.21 0.00 0.00 0.00 175.76 176.25 3ksc s LYS 424 N -0.66 1.12 0.13 0.00 2.20 -0.10 -1.86 119.74 120.57 3ksc s LYS 424 Ca 0.06 -0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 3ksc s LYS 424 Cb -0.07 -1.15 -0.07 0.00 -1.51 0.00 0.00 37.83 35.02 3ksc s LYS 424 CO 0.00 -0.15 1.19 0.45 -0.36 0.00 0.00 175.35 176.48 3ksc s SER 425 N 1.26 7.10 -0.21 1.43 0.15 -0.30 0.02 113.70 123.15 3ksc s SER 425 Ca -0.05 2.12 0.15 0.00 0.70 0.00 0.00 55.95 58.88 3ksc s SER 425 Cb -0.14 -2.59 0.66 0.00 -1.71 0.00 0.00 66.02 62.23 3ksc s SER 425 CO -0.02 -0.40 1.57 0.18 1.20 0.00 0.00 173.24 175.77 3ksc n LEU 426 N 3.11 4.70 -4.11 3.45 4.77 0.03 0.18 117.00 129.13 3ksc n LEU 426 Ca 0.06 -3.00 -0.11 0.00 -0.03 0.00 0.00 56.01 52.93 3ksc n LEU 426 Cb 0.45 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.83 3ksc n LEU 426 CO 0.55 0.66 -0.39 -0.44 -1.33 0.00 0.00 177.39 176.45 3ksc s SER 427 N -1.46 0.92 0.43 -1.43 0.01 -1.22 -4.79 113.70 106.16 3ksc s SER 427 Ca 0.48 -0.80 0.22 0.00 1.31 0.00 0.00 55.95 57.16 3ksc s SER 427 Cb 0.38 0.08 1.20 0.00 0.21 0.00 0.00 66.02 67.89 3ksc s SER 427 CO 0.12 -0.36 1.79 -0.78 0.41 0.00 0.00 173.24 174.41 3ksc h ASP 428 N 3.68 0.34 -2.34 2.44 -0.00 -1.92 -2.40 116.42 116.22 3ksc h ASP 428 Ca -0.35 0.06 -0.09 0.00 -0.00 0.00 0.00 57.03 56.65 3ksc h ASP 428 Cb 1.18 0.01 -0.27 0.00 -0.00 0.00 0.00 39.33 40.24 3ksc h ASP 428 CO 0.54 0.07 -0.37 -0.60 -0.00 0.00 0.00 179.24 178.88 3ksc s ARG 429 N -5.36 0.35 -0.18 0.28 3.52 -1.26 -3.25 118.95 113.04 3ksc s ARG 429 Ca -0.08 0.98 -0.09 0.00 -0.13 0.00 0.00 55.73 56.41 3ksc s ARG 429 Cb 0.24 0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 33.83 3ksc s ARG 429 CO 0.80 -0.32 0.12 0.12 -0.81 0.00 0.00 175.30 175.20 3ksc s PHE 430 N 2.62 3.40 0.06 5.12 5.36 0.11 -4.23 117.98 130.43 3ksc s PHE 430 Ca 0.01 0.30 0.03 0.00 -0.96 0.00 0.00 56.93 56.31 3ksc s PHE 430 Cb -0.13 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 3ksc s PHE 430 CO -0.14 0.32 -0.09 -1.54 -1.46 0.00 0.00 175.22 172.32 3ksc s SER 431 N 0.17 1.10 0.20 6.13 1.04 -0.22 0.66 113.70 122.77 3ksc s SER 431 Ca 0.08 -0.66 -0.14 0.00 0.48 0.00 0.00 55.95 55.71 3ksc s SER 431 Cb -0.11 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3ksc s SER 431 CO -0.01 -0.23 0.44 -0.72 0.98 0.00 0.00 173.24 173.70 3ksc s TYR 432 N -1.85 0.15 -0.04 5.02 1.13 -0.47 -0.52 117.35 120.77 3ksc s TYR 432 Ca -0.03 -0.50 0.04 0.00 -1.41 0.00 0.00 57.07 55.17 3ksc s TYR 432 Cb -0.07 0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 41.00 3ksc s TYR 432 CO -0.00 -0.88 -0.17 0.54 -2.51 0.00 0.00 175.55 172.53 3ksc s VAL 433 N -3.93 1.41 -0.31 -3.49 0.11 0.22 -1.64 120.40 112.78 3ksc s VAL 433 Ca 0.15 -0.72 -0.03 0.00 -2.93 0.00 0.00 61.98 58.45 3ksc s VAL 433 Cb 0.00 -1.21 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 3ksc s VAL 433 CO 0.01 0.41 0.02 0.00 -3.33 0.00 0.00 175.10 172.21 3ksc s ALA 434 N -0.04 2.86 0.17 1.54 0.00 0.29 -0.30 121.76 126.27 3ksc s ALA 434 Ca -0.02 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 49.90 3ksc s ALA 434 Cb -0.11 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.94 3ksc s ALA 434 CO 0.02 -1.27 1.00 -0.06 0.00 0.00 0.00 175.76 175.45 3ksc s PHE 435 N 1.29 3.78 -0.03 0.00 0.08 0.04 -0.96 117.98 122.18 3ksc s PHE 435 Ca -0.04 1.76 0.04 0.00 0.12 0.00 0.00 56.93 58.81 3ksc s PHE 435 Cb -0.20 -3.11 -0.00 0.00 -0.57 0.00 0.00 43.02 39.14 3ksc s PHE 435 CO -0.00 -0.00 -0.13 0.15 -0.10 0.00 0.00 175.22 175.13 3ksc s LYS 436 N -0.42 1.38 -0.07 0.44 1.02 0.12 -0.11 119.74 122.09 3ksc s LYS 436 Ca 0.46 -0.47 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 3ksc s LYS 436 Cb -0.26 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.79 3ksc s LYS 436 CO 0.32 0.19 2.35 0.25 -0.92 0.00 0.00 175.35 177.54 3ksc n THR 437 N 3.18 2.37 -3.64 2.17 -2.24 -0.77 -1.43 114.28 113.92 3ksc n THR 437 Ca -0.18 -0.97 -0.10 0.00 -2.27 0.00 0.00 64.05 60.53 3ksc n THR 437 Cb 0.54 -1.58 -0.07 0.00 -2.10 0.00 0.00 70.33 67.12 3ksc n THR 437 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ksc s ASN 438 N 1.65 -0.53 0.22 3.42 3.84 -0.91 -4.71 114.94 117.92 3ksc s ASN 438 Ca 0.20 1.01 0.24 0.00 0.21 0.00 0.00 52.86 54.53 3ksc s ASN 438 Cb 0.12 1.04 0.91 0.00 -0.55 0.00 0.00 41.25 42.77 3ksc s ASN 438 CO -0.01 -0.17 1.73 -0.90 -2.79 0.00 0.00 177.10 174.96 3ksc n ASP 439 N 2.43 0.66 -2.78 -4.21 5.75 -1.24 -2.67 116.55 114.50 3ksc n ASP 439 Ca -0.13 0.62 -0.22 0.00 -0.01 0.00 0.00 54.79 55.05 3ksc n ASP 439 Cb 0.56 -0.77 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 3ksc n ASP 439 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ksc n ARG 440 N -2.18 2.46 -1.67 0.11 5.12 -1.26 -2.31 116.66 116.93 3ksc n ARG 440 Ca 0.04 -4.15 -0.43 0.00 -1.93 0.00 0.00 57.85 51.38 3ksc n ARG 440 Cb 0.31 -1.94 -0.03 0.00 -1.16 0.00 0.00 32.46 29.63 3ksc n ARG 440 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ksc n ALA 441 N -0.19 1.62 -2.74 7.54 0.00 -1.09 -4.97 120.51 120.68 3ksc n ALA 441 Ca 0.28 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 3ksc n ALA 441 Cb 0.62 -2.64 -0.08 0.00 0.00 0.00 0.00 19.45 17.35 3ksc n ALA 441 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ksc s GLY 442 N 4.02 1.95 -0.01 0.00 0.00 -1.26 -5.04 107.32 106.98 3ksc s GLY 442 Ca 0.88 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 44.84 3ksc s GLY 442 CO 0.42 -0.62 -0.16 -0.26 0.00 0.00 0.00 173.10 172.48 3ksc s ILE 443 N -1.02 2.89 -0.24 0.90 -4.36 -1.26 -0.82 121.20 117.29 3ksc s ILE 443 Ca 0.17 -0.95 -0.07 0.00 -0.26 0.00 0.00 60.65 59.53 3ksc s ILE 443 Cb -0.12 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 3ksc s ILE 443 CO 0.07 0.47 0.07 0.00 0.24 0.00 0.00 174.94 175.79 3ksc s ALA 444 N -0.82 3.20 -0.02 2.27 0.00 0.66 -4.93 121.76 122.12 3ksc s ALA 444 Ca 0.13 -1.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.75 3ksc s ALA 444 Cb -0.11 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3ksc s ALA 444 CO 0.03 -0.39 0.86 1.03 0.00 0.00 0.00 175.76 177.29 3ksc s ARG 445 N 1.43 4.51 0.24 0.00 0.52 -1.26 -1.28 118.95 123.11 3ksc s ARG 445 Ca 0.05 1.19 0.24 0.00 -0.52 0.00 0.00 55.73 56.70 3ksc s ARG 445 Cb -0.15 -3.45 0.47 0.00 0.52 0.00 0.00 34.95 32.34 3ksc s ARG 445 CO 0.04 0.02 1.52 -0.07 0.02 0.00 0.00 175.30 176.83 3ksc h LEU 446 N 6.71 0.00 -8.08 2.53 -0.00 -0.98 0.39 115.31 115.88 3ksc h LEU 446 Ca -0.41 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.88 57.30 3ksc h LEU 446 Cb 1.21 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.73 3ksc h LEU 446 CO 0.75 0.03 -0.43 0.00 -0.00 0.00 0.00 178.44 178.79 3ksc s ALA 447 N -3.18 0.14 0.00 1.53 0.00 -1.24 -4.44 121.76 114.57 3ksc s ALA 447 Ca 0.07 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3ksc s ALA 447 Cb 0.10 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.91 3ksc s ALA 447 CO 0.67 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.29 3ksc n GLY 448 N -0.11 -3.43 0.26 0.00 0.00 -1.26 -4.47 105.19 96.18 3ksc n GLY 448 Ca -0.10 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 43.92 3ksc n GLY 448 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ksc h THR 449 N 0.00 1.15 -0.47 2.61 2.02 -0.73 -2.07 112.91 115.42 3ksc h THR 449 Ca 0.00 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 3ksc h THR 449 Cb 0.00 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.58 3ksc h THR 449 CO 0.00 0.16 0.10 -1.20 0.37 0.00 0.00 175.52 174.95 3ksc n SER 450 N -4.65 4.18 -4.73 4.18 7.64 -1.26 -4.83 113.62 114.15 3ksc n SER 450 Ca 0.05 -2.76 -0.32 0.00 1.01 0.00 0.00 58.87 56.85 3ksc n SER 450 Cb 0.03 -0.66 0.10 0.00 -1.01 0.00 0.00 64.21 62.67 3ksc n SER 450 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ksc s SER 451 N -0.56 4.15 0.25 6.43 1.04 -0.78 -4.67 113.70 119.56 3ksc s SER 451 Ca 0.39 2.11 -0.03 0.00 0.48 0.00 0.00 55.95 58.90 3ksc s SER 451 Cb 0.30 -2.56 0.48 0.00 0.10 0.00 0.00 66.02 64.35 3ksc s SER 451 CO 0.10 -2.28 1.75 0.58 0.98 0.00 0.00 173.24 174.37 3ksc h VAL 452 N -0.83 0.70 -0.48 5.02 2.07 -0.45 -2.20 116.25 120.09 3ksc h VAL 452 Ca -0.45 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 3ksc h VAL 452 Cb 1.26 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3ksc h VAL 452 CO 0.49 0.10 -0.15 0.40 0.02 0.00 0.00 177.57 178.43 3ksc h ILE 453 N 0.54 1.27 -0.07 4.57 2.04 -1.80 -2.68 117.51 121.37 3ksc h ILE 453 Ca 0.43 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 65.04 3ksc h ILE 453 Cb 0.62 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3ksc h ILE 453 CO -0.37 0.44 0.12 0.78 0.00 0.00 0.00 178.15 179.11 3ksc h ASN 454 N 0.81 0.00 -0.32 1.72 4.21 -1.69 -2.66 115.58 117.65 3ksc h ASN 454 Ca 0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.63 3ksc h ASN 454 Cb 0.68 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 3ksc h ASN 454 CO 0.05 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.78 3ksc n ASN 455 N -3.53 3.21 -4.82 5.81 4.13 -1.02 -4.91 115.26 114.13 3ksc n ASN 455 Ca -0.01 -1.93 -0.38 0.00 1.68 0.00 0.00 54.58 53.94 3ksc n ASN 455 Cb 0.21 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 38.19 3ksc n ASN 455 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ksc s LEU 456 N -1.40 4.48 0.59 3.41 1.43 -1.01 -5.05 118.68 121.14 3ksc s LEU 456 Ca 0.33 1.20 -0.20 0.00 -1.03 0.00 0.00 54.13 54.44 3ksc s LEU 456 Cb 0.20 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 3ksc s LEU 456 CO 0.28 0.24 1.13 -2.65 0.23 0.00 0.00 176.35 175.58 3ksc n PRO 457 N 1.53 1.16 -0.24 1.29 -0.02 -1.26 -4.77 135.00 132.70 3ksc n PRO 457 Ca -0.10 0.44 0.04 0.00 -2.02 0.00 0.00 63.50 61.87 3ksc n PRO 457 Cb 0.51 -2.34 0.16 0.00 -0.02 0.00 0.00 33.50 31.82 3ksc n PRO 457 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ksc h LEU 458 N 0.79 0.05 -1.00 2.45 5.85 -1.96 -1.94 115.31 119.55 3ksc h LEU 458 Ca -0.49 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 3ksc h LEU 458 Cb 1.34 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 3ksc h LEU 458 CO 0.53 -0.00 -0.10 0.44 -0.34 0.00 0.00 178.44 178.97 3ksc h ASP 459 N 0.29 0.59 0.18 1.25 5.19 -1.99 -2.05 116.42 119.89 3ksc h ASP 459 Ca 0.39 -0.16 -0.12 0.00 -0.62 0.00 0.00 57.03 56.52 3ksc h ASP 459 Cb 0.62 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 3ksc h ASP 459 CO -0.46 0.73 -0.45 -0.37 -3.12 0.00 0.00 179.24 175.57 3ksc h VAL 460 N 0.56 1.32 -0.14 -1.35 -1.51 -1.71 -0.50 116.25 112.92 3ksc h VAL 460 Ca 0.10 -1.62 -0.00 0.00 -1.23 0.00 0.00 66.70 63.95 3ksc h VAL 460 Cb 0.51 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 3ksc h VAL 460 CO 0.03 0.49 0.08 0.58 -1.23 0.00 0.00 177.57 177.52 3ksc h VAL 461 N 0.27 1.06 0.44 7.19 2.07 -1.18 0.47 116.25 126.57 3ksc h VAL 461 Ca 0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3ksc h VAL 461 Cb 0.90 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3ksc h VAL 461 CO 0.07 0.06 -0.21 0.00 0.02 0.00 0.00 177.57 177.51 3ksc h ALA 462 N 1.02 -0.59 -0.10 1.67 0.00 -1.14 -2.22 119.26 117.89 3ksc h ALA 462 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ksc h ALA 462 Cb 0.02 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ksc h ALA 462 CO -0.01 -0.83 -0.20 0.00 0.00 0.00 0.00 179.25 178.21 3ksc h ALA 463 N -0.02 1.49 0.53 0.00 0.00 -1.10 0.23 119.26 120.40 3ksc h ALA 463 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3ksc h ALA 463 Cb 0.45 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ksc h ALA 463 CO 0.10 0.37 -0.26 1.15 0.00 0.00 0.00 179.25 180.61 3ksc h THR 464 N 0.16 0.43 -0.62 0.00 2.02 0.19 -3.21 112.91 111.88 3ksc h THR 464 Ca 0.03 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3ksc h THR 464 Cb 0.44 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3ksc h THR 464 CO 0.03 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.44 3ksc n PHE 465 N -5.34 1.14 -3.69 3.16 3.72 -0.86 -4.96 117.46 110.63 3ksc n PHE 465 Ca -0.12 -0.49 -0.27 0.00 -0.05 0.00 0.00 57.45 56.52 3ksc n PHE 465 Cb 0.32 -0.13 0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3ksc n PHE 465 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ksc n ASN 466 N 1.18 -3.82 -4.72 4.37 5.15 0.21 -5.01 115.26 112.62 3ksc n ASN 466 Ca 0.23 -0.95 -0.24 0.00 -0.60 0.00 0.00 54.58 53.02 3ksc n ASN 466 Cb 0.70 -3.64 -0.07 0.00 -0.53 0.00 0.00 39.78 36.24 3ksc n ASN 466 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ksc s LEU 467 N -6.49 3.16 0.27 1.20 1.43 0.57 -5.01 118.68 113.81 3ksc s LEU 467 Ca 0.30 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 52.38 3ksc s LEU 467 Cb -0.10 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 3ksc s LEU 467 CO 0.84 -0.38 0.61 -1.10 0.23 0.00 0.00 176.35 176.56 3ksc s GLN 468 N -3.85 3.82 0.30 1.70 -0.21 -1.26 -4.55 119.66 115.61 3ksc s GLN 468 Ca 0.38 0.35 -0.00 0.00 0.02 0.00 0.00 55.36 56.11 3ksc s GLN 468 Cb 0.00 -2.58 0.68 0.00 1.00 0.00 0.00 33.01 32.12 3ksc s GLN 468 CO 0.22 0.24 1.58 0.00 -2.12 0.00 0.00 175.29 175.21 3ksc h ARG 469 N 2.27 0.02 0.00 2.91 3.08 -1.96 0.29 114.38 120.99 3ksc h ARG 469 Ca -0.47 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 3ksc h ARG 469 Cb 1.17 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3ksc h ARG 469 CO 0.68 0.01 -0.34 -2.95 -1.07 0.00 0.00 179.97 176.30 3ksc h ASN 470 N 0.02 0.00 0.71 7.04 -1.07 -1.99 -0.38 115.58 119.91 3ksc h ASN 470 Ca 0.56 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.74 3ksc h ASN 470 Cb 1.11 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.35 3ksc h ASN 470 CO -0.91 0.34 -0.88 -0.33 0.07 0.00 0.00 177.43 175.72 3ksc h GLU 471 N 0.00 0.11 -0.24 4.14 5.08 -0.87 -2.70 114.58 120.09 3ksc h GLU 471 Ca -0.00 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.06 3ksc h GLU 471 Cb 0.77 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3ksc h GLU 471 CO 0.04 0.92 -0.51 0.00 -1.00 0.00 0.00 179.01 178.46 3ksc h ALA 472 N 1.04 0.39 -0.94 3.43 0.00 -0.67 -0.76 119.26 121.76 3ksc h ALA 472 Ca -0.03 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.43 3ksc h ALA 472 Cb 1.53 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 3ksc h ALA 472 CO 0.13 0.58 0.61 0.00 0.00 0.00 0.00 179.25 180.57 3ksc h ARG 473 N 0.52 1.07 -0.18 0.00 3.08 -1.12 0.14 114.38 117.89 3ksc h ARG 473 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3ksc h ARG 473 Cb 1.12 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3ksc h ARG 473 CO 0.11 0.71 0.05 1.96 -1.07 0.00 0.00 179.97 181.74 3ksc h GLN 474 N 1.10 0.28 -0.92 0.04 4.20 -1.30 0.21 115.11 118.73 3ksc h GLN 474 Ca 0.39 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.17 3ksc h GLN 474 Cb 0.14 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 3ksc h GLN 474 CO -0.14 0.40 0.59 1.25 -0.67 0.00 0.00 178.83 180.25 3ksc h LEU 475 N 0.12 0.74 0.02 1.46 5.85 -0.28 0.77 115.31 123.99 3ksc h LEU 475 Ca 0.06 0.04 -0.25 0.00 0.84 0.00 0.00 57.88 58.57 3ksc h LEU 475 Cb 0.23 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3ksc h LEU 475 CO -0.00 0.39 -1.28 0.11 -0.34 0.00 0.00 178.44 177.31 3ksc h LYS 476 N 0.79 0.05 0.00 1.25 1.57 -0.73 -3.43 116.57 116.07 3ksc h LYS 476 Ca 0.46 -0.09 -0.20 0.00 -1.87 0.00 0.00 60.65 58.94 3ksc h LYS 476 Cb 0.62 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3ksc h LYS 476 CO -0.22 0.89 -1.77 0.43 -0.57 0.00 0.00 179.45 178.21 3ksc n SER 477 N -3.29 2.88 -0.39 0.86 7.64 0.71 -4.69 113.62 117.35 3ksc n SER 477 Ca -0.07 -0.07 0.31 0.00 1.01 0.00 0.00 58.87 60.05 3ksc n SER 477 Cb 0.99 -0.11 0.59 0.00 -1.01 0.00 0.00 64.21 64.68 3ksc n SER 477 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3ksc h ASN 478 N 0.00 0.32 -3.68 6.43 4.21 -1.05 -3.34 115.58 118.48 3ksc h ASN 478 Ca -0.30 0.10 -0.65 0.00 1.21 0.00 0.00 56.30 56.66 3ksc h ASN 478 Cb 1.49 0.07 -0.16 0.00 -1.12 0.00 0.00 38.32 38.59 3ksc h ASN 478 CO -0.04 -0.05 -0.26 0.21 -1.29 0.00 0.00 177.43 176.00 3ksc s ASN 479 N -4.86 6.20 0.00 5.81 3.84 -1.26 -4.96 114.94 119.71 3ksc s ASN 479 Ca -0.08 -0.11 0.27 0.00 0.21 0.00 0.00 52.86 53.15 3ksc s ASN 479 Cb 0.27 -2.20 0.88 0.00 -0.55 0.00 0.00 41.25 39.65 3ksc s ASN 479 CO 0.81 -0.32 1.65 -0.81 -2.79 0.00 0.00 177.10 175.64 3ksc n PRO 480 N 5.40 0.63 -3.42 0.43 -0.05 -1.26 -4.31 135.00 132.43 3ksc n PRO 480 Ca -0.09 -0.32 -0.23 0.00 -0.05 0.00 0.00 63.50 62.81 3ksc n PRO 480 Cb 0.50 -1.49 -0.01 0.00 -0.05 0.00 0.00 33.50 32.44 3ksc n PRO 480 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3ksc s PHE 481 N -2.59 3.45 -0.05 0.54 0.08 -1.26 -4.72 117.98 113.43 3ksc s PHE 481 Ca 0.23 0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.54 3ksc s PHE 481 Cb 0.19 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3ksc s PHE 481 CO 0.53 0.11 0.03 -0.22 -0.10 0.00 0.00 175.22 175.58 3ksc h LYS 482 N 0.78 -0.02 0.00 0.44 3.64 -1.93 0.18 116.57 119.66 3ksc h LYS 482 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3ksc h LYS 482 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3ksc h LYS 482 CO 0.61 -0.01 -0.58 0.34 -2.27 0.00 0.00 179.45 177.53 3ksc n PHE 483 N -3.55 0.00 -2.88 1.91 7.35 -1.26 -3.82 117.46 115.21 3ksc n PHE 483 Ca -0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.38 3ksc n PHE 483 Cb 0.01 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 3ksc n PHE 483 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3ksc s LEU 484 N -4.12 3.85 -0.03 -2.13 1.02 -1.26 -0.58 118.68 115.42 3ksc s LEU 484 Ca 0.00 1.13 -0.01 0.00 0.02 0.00 0.00 54.13 55.27 3ksc s LEU 484 Cb 0.00 -4.00 0.03 0.00 0.02 0.00 0.00 46.19 42.24 3ksc s LEU 484 CO 0.00 -0.39 0.06 0.54 0.02 0.00 0.00 176.35 176.58 3ksc s VAL 485 N -2.35 -0.09 0.75 -1.59 0.11 0.18 -4.77 120.40 112.65 3ksc s VAL 485 Ca 0.51 0.31 -0.13 0.00 -2.93 0.00 0.00 61.98 59.74 3ksc s VAL 485 Cb -0.10 -0.13 0.05 0.00 -1.53 0.00 0.00 36.38 34.67 3ksc s VAL 485 CO 0.31 0.13 1.15 -2.84 -3.33 0.00 0.00 175.10 170.52 3ksc s PRO 486 N 1.60 2.11 0.43 1.54 0.02 -1.26 -0.67 135.00 138.75 3ksc s PRO 486 Ca -0.03 1.53 -0.25 0.00 0.02 0.00 0.00 61.00 62.27 3ksc s PRO 486 Cb -0.12 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.46 3ksc s PRO 486 CO -0.03 -1.81 1.26 0.00 -0.33 0.00 0.00 177.00 176.09 3ksc s ALA 487 N -2.35 3.15 -2.00 -1.55 0.00 -1.26 -4.74 121.76 113.01 3ksc s ALA 487 Ca 0.69 1.15 0.11 0.00 0.00 0.00 0.00 51.96 53.90 3ksc s ALA 487 Cb -0.24 -3.46 0.65 0.00 0.00 0.00 0.00 23.12 20.08 3ksc s ALA 487 CO 0.48 -0.79 1.09 0.54 0.00 0.00 0.00 175.76 177.08