#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3i s PRO 6 N 0.00 0.85 -0.08 -0.14 0.02 -1.26 -4.98 135.00 129.41 3k3i s PRO 6 Ca 0.00 1.52 -0.28 0.00 0.02 0.00 0.00 61.00 62.26 3k3i s PRO 6 Cb 0.00 -1.71 -0.02 0.00 0.02 0.00 0.00 34.50 32.79 3k3i s PRO 6 CO 0.00 -2.74 0.92 0.99 -0.33 0.00 0.00 177.00 175.84 3k3i s THR 7 N -2.63 4.87 0.17 0.99 2.01 -1.26 -4.98 115.64 114.80 3k3i s THR 7 Ca 0.67 1.88 -0.02 0.00 0.31 0.00 0.00 61.69 64.53 3k3i s THR 7 Cb -0.23 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 3k3i s THR 7 CO 0.58 0.09 0.37 -0.36 -0.69 0.00 0.00 174.62 174.61 3k3i s PHE 8 N 1.56 3.48 0.13 4.92 0.40 -1.26 -0.41 117.98 126.81 3k3i s PHE 8 Ca 0.46 0.40 0.06 0.00 -0.60 0.00 0.00 56.93 57.25 3k3i s PHE 8 Cb -0.19 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 3k3i s PHE 8 CO 0.20 0.42 -0.13 1.52 0.70 0.00 0.00 175.22 177.93 3k3i s TYR 9 N -1.76 1.40 0.01 0.36 1.13 -0.25 -4.85 117.35 113.39 3k3i s TYR 9 Ca 0.39 -0.59 0.07 0.00 -1.41 0.00 0.00 57.07 55.53 3k3i s TYR 9 Cb -0.12 -0.72 -0.03 0.00 -1.10 0.00 0.00 41.96 40.00 3k3i s TYR 9 CO 0.27 0.15 -0.20 0.50 -2.51 0.00 0.00 175.55 173.77 3k3i s ARG 10 N -2.90 2.14 0.22 -3.49 3.52 -1.26 -1.74 118.95 115.44 3k3i s ARG 10 Ca 0.11 -0.93 -0.14 0.00 -0.13 0.00 0.00 55.73 54.64 3k3i s ARG 10 Cb -0.03 -2.18 0.01 0.00 -1.56 0.00 0.00 34.95 31.18 3k3i s ARG 10 CO 0.03 0.56 0.48 1.14 -0.81 0.00 0.00 175.30 176.70 3k3i s GLN 11 N -1.13 1.46 -0.19 5.12 -2.07 -0.21 -4.99 119.66 117.66 3k3i s GLN 11 Ca 0.13 -1.11 -0.03 0.00 -1.82 0.00 0.00 55.36 52.53 3k3i s GLN 11 Cb -0.10 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.29 3k3i s GLN 11 CO 0.03 -0.61 -0.07 -2.00 -1.32 0.00 0.00 175.29 171.32 3k3i s GLU 12 N -3.96 3.40 -0.13 9.60 2.12 -1.26 -0.01 118.70 128.46 3k3i s GLU 12 Ca 0.17 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.88 3k3i s GLU 12 Cb -0.01 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.52 3k3i s GLU 12 CO 0.04 -0.03 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.07 3k3i s LEU 13 N 1.02 1.74 -1.28 2.70 1.02 0.57 -4.83 118.68 119.62 3k3i s LEU 13 Ca -0.00 -0.47 -0.20 0.00 0.02 0.00 0.00 54.13 53.49 3k3i s LEU 13 Cb -0.15 -1.16 0.02 0.00 0.02 0.00 0.00 46.19 44.92 3k3i s LEU 13 CO -0.00 -0.01 0.55 0.59 0.02 0.00 0.00 176.35 177.50 3k3i n ASN 14 N 4.43 -2.94 0.00 2.29 3.02 -1.26 -1.10 115.26 119.70 3k3i n ASN 14 Ca -0.18 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 3k3i n ASN 14 Cb 0.51 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.34 3k3i n ASN 14 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3k3i n LYS 15 N -4.65 0.00 -4.25 3.52 0.00 -1.26 -4.95 118.16 106.58 3k3i n LYS 15 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.79 3k3i n LYS 15 Cb 0.61 -3.69 -0.10 0.00 0.00 0.00 0.00 35.03 31.85 3k3i n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3k3i s THR 16 N -2.04 4.45 0.02 3.15 2.01 -0.26 -5.10 115.64 117.86 3k3i s THR 16 Ca 0.00 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 3k3i s THR 16 Cb 0.00 -2.93 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 3k3i s THR 16 CO 0.00 0.55 0.58 0.27 -0.69 0.00 0.00 174.62 175.33 3k3i s ILE 17 N -0.34 4.87 -0.18 1.82 -5.25 -1.26 -0.32 121.20 120.54 3k3i s ILE 17 Ca 0.07 1.22 0.01 0.00 -0.99 0.00 0.00 60.65 60.96 3k3i s ILE 17 Cb -0.12 -3.91 0.02 0.00 2.95 0.00 0.00 42.46 41.40 3k3i s ILE 17 CO 0.02 0.46 -0.19 0.26 -1.79 0.00 0.00 174.94 173.70 3k3i s TRP 18 N -0.47 2.78 -0.35 1.37 0.52 0.99 -4.96 118.94 118.82 3k3i s TRP 18 Ca 0.30 -1.66 0.01 0.00 0.02 0.00 0.00 56.10 54.77 3k3i s TRP 18 Cb -0.18 -1.91 0.09 0.00 -1.15 0.00 0.00 33.47 30.32 3k3i s TRP 18 CO 0.17 -0.81 0.07 -1.21 0.02 0.00 0.00 176.95 175.20 3k3i s GLU 19 N 1.29 1.83 0.15 4.98 2.02 -1.26 -1.04 118.70 126.68 3k3i s GLU 19 Ca 0.05 -1.73 0.07 0.00 0.02 0.00 0.00 54.97 53.37 3k3i s GLU 19 Cb -0.13 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 3k3i s GLU 19 CO -0.13 -0.90 -0.15 0.14 0.02 0.00 0.00 175.26 174.24 3k3i s VAL 20 N 1.04 1.52 0.52 2.63 -7.23 -0.71 -4.59 120.40 113.58 3k3i s VAL 20 Ca 0.06 -1.92 -0.23 0.00 -1.81 0.00 0.00 61.98 58.08 3k3i s VAL 20 Cb -0.20 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 3k3i s VAL 20 CO -0.06 -0.47 1.38 -2.65 -0.31 0.00 0.00 175.10 172.99 3k3i n PRO 21 N 0.17 1.84 0.32 4.82 -0.02 -1.26 -1.09 135.00 139.78 3k3i n PRO 21 Ca -0.13 0.67 0.21 0.00 -2.02 0.00 0.00 63.50 62.24 3k3i n PRO 21 Cb 0.58 -2.59 1.10 0.00 -0.02 0.00 0.00 33.50 32.57 3k3i n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k3i h GLU 22 N 1.66 0.00 -1.17 -0.52 5.08 -1.06 -1.69 114.58 116.88 3k3i h GLU 22 Ca -0.51 0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.19 3k3i h GLU 22 Cb 1.30 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.44 3k3i h GLU 22 CO 0.58 0.00 0.76 -0.09 -1.00 0.00 0.00 179.01 179.26 3k3i h ARG 23 N 0.00 0.23 -4.80 2.33 2.43 -1.90 -3.38 114.38 109.29 3k3i h ARG 23 Ca 0.00 -0.01 -0.66 0.00 -0.81 0.00 0.00 59.98 58.50 3k3i h ARG 23 Cb 0.07 -0.05 -0.18 0.00 -0.42 0.00 0.00 29.97 29.39 3k3i h ARG 23 CO 0.00 0.15 -0.50 0.71 -1.51 0.00 0.00 179.97 178.82 3k3i s TYR 24 N -5.36 3.22 0.30 2.20 2.02 -0.64 -1.16 117.35 117.94 3k3i s TYR 24 Ca -0.08 -0.06 0.10 0.00 -0.37 0.00 0.00 57.07 56.66 3k3i s TYR 24 Cb 0.27 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 3k3i s TYR 24 CO 0.81 -0.27 -0.06 -0.65 -1.57 0.00 0.00 175.55 173.81 3k3i s GLN 25 N 1.74 2.00 -1.21 -0.62 -1.52 -0.02 -4.83 119.66 115.20 3k3i s GLN 25 Ca 0.06 -1.68 -0.02 0.00 -1.95 0.00 0.00 55.36 51.77 3k3i s GLN 25 Cb -0.17 -1.93 -0.01 0.00 -0.22 0.00 0.00 33.01 30.68 3k3i s GLN 25 CO 0.11 0.25 0.87 0.09 -0.25 0.00 0.00 175.29 176.36 3k3i n ASN 26 N -0.83 -2.75 -4.72 5.90 3.02 -1.26 -0.38 115.26 114.23 3k3i n ASN 26 Ca -0.05 -0.73 -0.42 0.00 -0.03 0.00 0.00 54.58 53.35 3k3i n ASN 26 Cb 0.61 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 35.08 3k3i n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k3i s LEU 27 N -6.30 4.37 -0.04 3.41 1.02 -1.26 -4.35 118.68 115.54 3k3i s LEU 27 Ca 0.11 2.40 0.01 0.00 0.02 0.00 0.00 54.13 56.67 3k3i s LEU 27 Cb -0.02 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.62 3k3i s LEU 27 CO 0.77 -0.69 -0.04 -0.94 0.02 0.00 0.00 176.35 175.47 3k3i s SER 28 N 1.08 0.82 0.45 2.29 1.04 -0.34 -4.96 113.70 114.08 3k3i s SER 28 Ca 0.66 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.73 3k3i s SER 28 Cb -0.38 -0.38 -0.08 0.00 0.10 0.00 0.00 66.02 65.27 3k3i s SER 28 CO 0.31 -0.05 1.36 -2.84 0.98 0.00 0.00 173.24 173.00 3k3i s PRO 29 N 0.83 3.67 0.00 4.02 0.02 -1.26 -0.66 135.00 141.63 3k3i s PRO 29 Ca -0.11 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3k3i s PRO 29 Cb -0.14 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.79 3k3i s PRO 29 CO -0.00 -0.77 0.00 1.33 -0.33 0.00 0.00 177.00 177.23 3k3i n VAL 30 N -0.27 0.00 0.00 3.83 0.24 -0.38 -4.79 118.33 116.96 3k3i n VAL 30 Ca 0.06 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3k3i n VAL 30 Cb 0.43 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 3k3i n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k3i n GLY 31 N 1.70 1.73 3.28 7.63 0.00 -1.19 -5.02 105.19 113.31 3k3i n GLY 31 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3k3i n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k3i s SER 32 N 0.00 -0.39 0.00 1.61 1.04 -1.26 0.02 113.70 114.72 3k3i s SER 32 Ca 0.00 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3k3i s SER 32 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3k3i s SER 32 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3k3i n GLY 33 N 2.72 4.31 0.30 7.32 0.00 0.85 -4.99 105.19 115.71 3k3i n GLY 33 Ca -0.14 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 43.95 3k3i n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3i h ALA 34 N 1.00 1.73 -0.08 4.61 0.00 -1.92 -3.13 119.26 121.48 3k3i h ALA 34 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k3i h ALA 34 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3k3i h ALA 34 CO 0.00 0.24 0.00 0.66 0.00 0.00 0.00 179.25 180.15 3k3i n TYR 35 N -4.47 0.09 0.00 0.00 4.01 -1.26 -4.80 117.16 110.72 3k3i n TYR 35 Ca 0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3k3i n TYR 35 Cb 0.07 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3k3i n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k3i n GLY 36 N 0.74 0.24 3.34 2.72 0.00 -1.18 -1.45 105.19 109.59 3k3i n GLY 36 Ca 0.09 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 3k3i n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k3i s SER 37 N 0.00 2.98 -0.04 1.61 0.01 -0.92 -0.10 113.70 117.24 3k3i s SER 37 Ca 0.00 -0.69 0.05 0.00 1.31 0.00 0.00 55.95 56.62 3k3i s SER 37 Cb 0.00 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 3k3i s SER 37 CO 0.00 0.15 -0.18 -0.69 0.41 0.00 0.00 173.24 172.93 3k3i s VAL 38 N -1.03 1.51 0.05 3.43 1.01 0.10 -1.09 120.40 124.38 3k3i s VAL 38 Ca 0.11 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.41 3k3i s VAL 38 Cb -0.10 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3k3i s VAL 38 CO 0.05 0.43 -0.26 0.00 0.00 0.00 0.00 175.10 175.32 3k3i s ALA 40 N -0.82 3.23 0.19 0.00 0.00 0.17 0.23 121.76 124.76 3k3i s ALA 40 Ca 0.11 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 3k3i s ALA 40 Cb -0.10 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.16 3k3i s ALA 40 CO 0.02 0.19 0.51 0.00 0.00 0.00 0.00 175.76 176.48 3k3i s ALA 41 N -2.14 -0.86 -0.23 0.00 0.00 -0.17 -1.20 121.76 117.17 3k3i s ALA 41 Ca 0.56 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 3k3i s ALA 41 Cb -0.10 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 3k3i s ALA 41 CO 0.19 -0.80 0.09 0.12 0.00 0.00 0.00 175.76 175.36 3k3i s PHE 42 N -3.88 3.17 -0.65 0.00 5.36 0.49 -0.73 117.98 121.74 3k3i s PHE 42 Ca 0.10 -0.13 -0.22 0.00 -0.96 0.00 0.00 56.93 55.72 3k3i s PHE 42 Cb -0.01 -2.20 0.08 0.00 -0.34 0.00 0.00 43.02 40.55 3k3i s PHE 42 CO -0.02 -0.12 0.92 0.34 -1.46 0.00 0.00 175.22 174.88 3k3i s ASP 43 N 1.13 6.17 0.59 6.13 2.15 0.29 -0.84 116.67 132.30 3k3i s ASP 43 Ca 0.05 -1.07 0.31 0.00 0.43 0.00 0.00 52.55 52.27 3k3i s ASP 43 Cb -0.14 -2.40 1.86 0.00 -0.30 0.00 0.00 42.92 41.94 3k3i s ASP 43 CO 0.04 -1.39 2.26 0.71 -0.17 0.00 0.00 175.17 176.62 3k3i h THR 44 N 5.97 0.49 -0.06 1.71 1.35 -1.43 0.33 112.91 121.26 3k3i h THR 44 Ca -0.29 -0.02 -0.17 0.00 -0.55 0.00 0.00 66.41 65.38 3k3i h THR 44 Cb 1.07 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 3k3i h THR 44 CO 1.17 0.00 -0.71 0.50 -0.25 0.00 0.00 175.52 176.24 3k3i h LYS 45 N 0.00 0.31 0.00 4.72 3.64 -1.91 -3.35 116.57 119.98 3k3i h LYS 45 Ca -0.00 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 3k3i h LYS 45 Cb 0.01 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3k3i h LYS 45 CO 0.00 0.90 -1.39 0.25 -2.27 0.00 0.00 179.45 176.94 3k3i n THR 46 N -3.82 0.07 -0.84 1.00 -2.24 -0.99 -5.00 114.28 102.47 3k3i n THR 46 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3k3i n THR 46 Cb 0.69 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3k3i n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k3i n GLY 47 N 2.11 0.58 3.88 3.38 0.00 0.11 -5.04 105.19 110.21 3k3i n GLY 47 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3k3i n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k3i s LEU 48 N 0.00 4.26 0.13 0.99 1.43 -1.19 -4.87 118.68 119.44 3k3i s LEU 48 Ca 0.00 0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 53.63 3k3i s LEU 48 Cb 0.00 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 3k3i s LEU 48 CO 0.00 0.05 0.88 -0.13 0.23 0.00 0.00 176.35 177.38 3k3i s ARG 49 N -2.43 4.67 0.18 1.70 0.52 -1.26 -0.55 118.95 121.79 3k3i s ARG 49 Ca 0.41 1.33 0.04 0.00 -0.52 0.00 0.00 55.73 56.98 3k3i s ARG 49 Cb -0.13 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 3k3i s ARG 49 CO 0.21 0.35 -0.06 0.14 0.02 0.00 0.00 175.30 175.97 3k3i s VAL 50 N -0.46 1.08 -0.13 3.52 -7.23 0.09 -1.43 120.40 115.85 3k3i s VAL 50 Ca 0.42 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3k3i s VAL 50 Cb -0.23 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 3k3i s VAL 50 CO 0.28 -0.56 -0.09 0.00 -0.31 0.00 0.00 175.10 174.42 3k3i s ALA 51 N -3.38 2.80 -0.14 1.32 0.00 0.56 -1.00 121.76 121.91 3k3i s ALA 51 Ca 0.22 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3k3i s ALA 51 Cb 0.04 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 3k3i s ALA 51 CO 0.04 0.29 -0.16 0.08 0.00 0.00 0.00 175.76 176.01 3k3i s VAL 52 N 0.17 2.65 -0.15 0.00 1.01 0.13 -1.51 120.40 122.70 3k3i s VAL 52 Ca -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3k3i s VAL 52 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3k3i s VAL 52 CO 0.04 0.52 -0.12 -0.75 0.00 0.00 0.00 175.10 174.80 3k3i s LYS 53 N 0.69 3.35 -0.30 2.72 2.20 0.43 -0.47 119.74 128.36 3k3i s LYS 53 Ca -0.08 -0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 54.72 3k3i s LYS 53 Cb -0.16 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 3k3i s LYS 53 CO 0.02 0.09 0.28 0.21 -0.36 0.00 0.00 175.35 175.58 3k3i s LYS 54 N 0.68 3.79 0.40 4.03 2.20 -0.25 -1.19 119.74 129.40 3k3i s LYS 54 Ca -0.06 -0.32 -0.26 0.00 -0.36 0.00 0.00 55.97 54.97 3k3i s LYS 54 Cb -0.15 -3.72 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 3k3i s LYS 54 CO 0.02 -0.33 1.31 -0.51 -0.36 0.00 0.00 175.35 175.48 3k3i s LEU 55 N 1.88 4.22 -0.18 5.43 1.43 -0.64 -2.17 118.68 128.65 3k3i s LEU 55 Ca 0.10 2.66 -0.16 0.00 -1.03 0.00 0.00 54.13 55.70 3k3i s LEU 55 Cb -0.16 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 3k3i s LEU 55 CO 0.11 -0.84 0.39 -0.94 0.23 0.00 0.00 176.35 175.29 3k3i s SER 56 N -0.72 6.47 -1.33 2.29 1.04 -0.53 -4.49 113.70 116.43 3k3i s SER 56 Ca 0.57 0.55 -0.14 0.00 0.48 0.00 0.00 55.95 57.41 3k3i s SER 56 Cb -0.38 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.52 3k3i s SER 56 CO 0.49 -0.03 0.49 0.54 0.98 0.00 0.00 173.24 175.71 3k3i n ARG 57 N 4.17 -1.58 0.29 4.02 1.74 -1.26 -4.82 116.66 119.22 3k3i n ARG 57 Ca -0.09 0.27 0.15 0.00 -0.77 0.00 0.00 57.85 57.41 3k3i n ARG 57 Cb 0.51 -3.75 0.86 0.00 -1.02 0.00 0.00 32.46 29.07 3k3i n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3k3i h PRO 58 N -2.04 0.00 -0.03 5.56 0.13 -1.82 -2.89 132.00 130.90 3k3i h PRO 58 Ca -0.67 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.39 3k3i h PRO 58 Cb 1.38 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.37 3k3i h PRO 58 CO 0.58 0.05 -0.69 1.19 -0.23 0.00 0.00 178.00 178.90 3k3i n PHE 59 N -3.71 0.12 0.02 1.56 3.01 -1.26 -2.65 117.46 114.54 3k3i n PHE 59 Ca -0.03 -1.23 -0.05 0.00 1.01 0.00 0.00 57.45 57.15 3k3i n PHE 59 Cb 0.14 -0.22 0.16 0.00 -0.01 0.00 0.00 39.48 39.55 3k3i n PHE 59 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3k3i h GLN 60 N 1.07 0.48 -4.24 -1.08 4.15 -1.87 -3.46 115.11 110.17 3k3i h GLN 60 Ca -0.06 -0.21 -0.16 0.00 0.77 0.00 0.00 58.65 58.99 3k3i h GLN 60 Cb 1.30 -0.01 -0.14 0.00 0.21 0.00 0.00 27.48 28.83 3k3i h GLN 60 CO 0.06 0.76 -0.53 -1.54 -1.93 0.00 0.00 178.83 175.65 3k3i s SER 61 N -6.83 0.20 0.26 -0.69 1.04 -1.26 -5.02 113.70 101.40 3k3i s SER 61 Ca -0.07 -1.10 -0.02 0.00 0.48 0.00 0.00 55.95 55.24 3k3i s SER 61 Cb 0.13 0.35 0.51 0.00 0.10 0.00 0.00 66.02 67.11 3k3i s SER 61 CO 0.80 -0.80 1.75 0.40 0.98 0.00 0.00 173.24 176.37 3k3i h ILE 62 N 2.74 0.69 0.18 -1.02 1.08 -1.94 -0.20 117.51 119.05 3k3i h ILE 62 Ca -0.34 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 3k3i h ILE 62 Cb 1.21 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 3k3i h ILE 62 CO 0.55 0.10 -0.09 0.40 -0.69 0.00 0.00 178.15 178.42 3k3i h ILE 63 N 0.54 0.86 -0.62 -0.67 1.08 -1.97 -0.59 117.51 116.15 3k3i h ILE 63 Ca 0.45 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.78 3k3i h ILE 63 Cb 0.65 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.33 3k3i h ILE 63 CO -0.38 0.04 0.35 0.45 -0.69 0.00 0.00 178.15 177.92 3k3i h HIS 64 N -0.34 0.64 -0.65 1.37 3.86 -1.78 -1.27 115.15 117.00 3k3i h HIS 64 Ca -0.03 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3k3i h HIS 64 Cb 0.26 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 3k3i h HIS 64 CO -0.04 0.32 0.13 0.00 0.86 0.00 0.00 177.93 179.21 3k3i h ALA 65 N 1.31 1.01 -0.26 2.45 0.00 -0.73 0.34 119.26 123.38 3k3i h ALA 65 Ca 0.27 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3k3i h ALA 65 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3k3i h ALA 65 CO -0.16 0.64 -0.46 -0.22 0.00 0.00 0.00 179.25 179.05 3k3i h LYS 66 N 0.98 0.67 -0.74 0.00 3.64 -0.90 -1.69 116.57 118.53 3k3i h LYS 66 Ca 0.20 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 3k3i h LYS 66 Cb 0.38 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3k3i h LYS 66 CO 0.01 0.99 0.28 -0.09 -2.27 0.00 0.00 179.45 178.37 3k3i h ARG 67 N 0.54 1.12 -0.06 1.90 2.43 -0.75 0.36 114.38 119.91 3k3i h ARG 67 Ca 0.03 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3k3i h ARG 67 Cb 1.00 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3k3i h ARG 67 CO 0.09 0.92 0.03 1.15 -1.51 0.00 0.00 179.97 180.66 3k3i h THR 68 N 1.07 1.08 -0.56 0.20 2.02 -0.78 -0.35 112.91 115.60 3k3i h THR 68 Ca 0.25 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.22 3k3i h THR 68 Cb 0.23 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3k3i h THR 68 CO -0.02 0.07 0.36 0.22 0.37 0.00 0.00 175.52 176.52 3k3i h TYR 69 N 0.00 0.68 -0.44 3.16 3.20 -1.11 -1.76 116.97 120.71 3k3i h TYR 69 Ca 0.02 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3k3i h TYR 69 Cb 0.08 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3k3i h TYR 69 CO -0.05 0.41 0.23 -0.09 -1.64 0.00 0.00 178.16 177.03 3k3i h ARG 70 N 0.73 0.45 -0.38 1.82 2.43 -0.68 0.25 114.38 119.00 3k3i h ARG 70 Ca 0.21 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3k3i h ARG 70 Cb -0.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3k3i h ARG 70 CO -0.06 0.30 0.05 1.49 -1.51 0.00 0.00 179.97 180.24 3k3i h GLU 71 N 0.47 0.64 -0.30 0.20 4.81 -0.77 -1.29 114.58 118.34 3k3i h GLU 71 Ca 0.18 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3k3i h GLU 71 Cb 0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3k3i h GLU 71 CO -0.11 0.70 0.04 1.25 -0.73 0.00 0.00 179.01 180.16 3k3i h LEU 72 N 0.48 0.49 -0.42 1.64 5.85 -1.00 -0.52 115.31 121.82 3k3i h LEU 72 Ca 0.11 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3k3i h LEU 72 Cb 0.38 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3k3i h LEU 72 CO 0.01 0.64 0.20 0.03 -0.34 0.00 0.00 178.44 178.98 3k3i h ARG 73 N 0.33 0.40 0.16 1.25 2.47 -0.84 0.29 114.38 118.44 3k3i h ARG 73 Ca 0.09 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3k3i h ARG 73 Cb 0.36 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3k3i h ARG 73 CO 0.01 0.26 -0.08 1.25 0.56 0.00 0.00 179.97 181.97 3k3i h LEU 74 N 0.41 -0.18 -1.13 3.04 6.46 -1.09 -2.45 115.31 120.36 3k3i h LEU 74 Ca 0.19 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3k3i h LEU 74 Cb 0.11 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 3k3i h LEU 74 CO -0.14 -0.08 0.25 -0.07 -0.62 0.00 0.00 178.44 177.78 3k3i h LEU 75 N -0.27 0.78 -1.76 2.25 3.38 -0.84 -0.89 115.31 117.96 3k3i h LEU 75 Ca -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3k3i h LEU 75 Cb 0.21 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k3i h LEU 75 CO 0.04 0.69 -0.16 0.11 0.09 0.00 0.00 178.44 179.21 3k3i h LYS 76 N 0.85 0.00 0.01 1.13 1.57 -0.79 -2.88 116.57 116.45 3k3i h LYS 76 Ca 0.20 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.77 3k3i h LYS 76 Cb 0.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3k3i h LYS 76 CO -0.02 0.16 -0.99 1.25 -0.57 0.00 0.00 179.45 179.27 3k3i h HIS 77 N 0.00 0.03 -3.26 -1.35 2.76 -0.68 -3.46 115.15 109.19 3k3i h HIS 77 Ca -0.00 -0.02 -0.57 0.00 -2.20 0.00 0.00 60.37 57.58 3k3i h HIS 77 Cb 0.40 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.30 3k3i h HIS 77 CO 0.00 0.99 0.96 -1.64 -1.30 0.00 0.00 177.93 176.94 3k3i s MET 78 N -2.76 3.87 -0.44 5.26 -1.94 -1.04 -4.91 119.30 117.34 3k3i s MET 78 Ca 0.01 1.09 0.06 0.00 -1.71 0.00 0.00 55.69 55.14 3k3i s MET 78 Cb 0.10 -3.88 0.21 0.00 2.01 0.00 0.00 34.83 33.27 3k3i s MET 78 CO 0.82 -1.18 0.44 1.63 -0.01 0.00 0.00 175.02 176.72 3k3i n LYS 79 N 7.41 0.63 -3.67 2.03 5.02 -1.26 -4.54 118.16 123.78 3k3i n LYS 79 Ca 0.14 -3.36 -0.14 0.00 -2.02 0.00 0.00 58.31 52.93 3k3i n LYS 79 Cb 0.47 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.83 3k3i n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3k3i s HIS 80 N -0.67 -0.52 0.58 2.13 2.46 -1.26 -5.06 115.29 112.94 3k3i s HIS 80 Ca 0.34 1.15 0.27 0.00 0.47 0.00 0.00 55.06 57.29 3k3i s HIS 80 Cb 0.09 0.22 1.71 0.00 -0.13 0.00 0.00 32.58 34.47 3k3i s HIS 80 CO -0.15 -0.36 2.23 0.93 -2.47 0.00 0.00 174.74 174.92 3k3i h GLU 81 N 4.60 0.00 -0.30 2.88 5.08 -1.98 -2.41 114.58 122.45 3k3i h GLU 81 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3k3i h GLU 81 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3k3i h GLU 81 CO 0.25 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.35 3k3i n ASN 82 N -4.00 3.87 -4.09 1.42 4.13 -1.26 -4.74 115.26 110.59 3k3i n ASN 82 Ca -0.03 -2.87 -0.20 0.00 1.68 0.00 0.00 54.58 53.17 3k3i n ASN 82 Cb 0.08 -0.51 -0.14 0.00 -1.54 0.00 0.00 39.78 37.67 3k3i n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3k3i s VAL 83 N -2.56 0.96 0.25 2.41 1.01 -0.91 -0.81 120.40 120.75 3k3i s VAL 83 Ca 0.40 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 3k3i s VAL 83 Cb 0.32 -0.84 -0.15 0.00 0.00 0.00 0.00 36.38 35.71 3k3i s VAL 83 CO 0.10 0.14 0.99 0.00 0.00 0.00 0.00 175.10 176.33 3k3i n ILE 84 N 2.42 1.71 -4.44 2.22 3.06 -0.16 -4.56 119.36 119.60 3k3i n ILE 84 Ca -0.16 -0.43 -0.30 0.00 -2.50 0.00 0.00 62.75 59.37 3k3i n ILE 84 Cb 0.55 -0.84 -0.12 0.00 0.54 0.00 0.00 39.64 39.77 3k3i n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3k3i s GLY 85 N -0.47 1.61 -0.34 4.50 0.00 -1.26 -4.75 107.32 106.61 3k3i s GLY 85 Ca 0.63 -1.36 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 3k3i s GLY 85 CO 0.57 -1.32 0.53 -2.27 0.00 0.00 0.00 173.10 170.62 3k3i s LEU 86 N -1.93 4.29 0.08 0.66 2.96 -1.26 -4.48 118.68 119.00 3k3i s LEU 86 Ca 0.16 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 3k3i s LEU 86 Cb -0.10 -2.62 -0.23 0.00 0.50 0.00 0.00 46.19 43.73 3k3i s LEU 86 CO 0.07 -0.47 1.15 -0.07 -1.32 0.00 0.00 176.35 175.71 3k3i h LEU 87 N 9.09 0.13 -7.00 -0.68 3.38 -1.18 -3.41 115.31 115.64 3k3i h LEU 87 Ca -0.28 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.59 3k3i h LEU 87 Cb 1.12 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 3k3i h LEU 87 CO 0.77 1.12 0.41 -0.62 0.09 0.00 0.00 178.44 180.21 3k3i s ASP 88 N -6.76 -0.45 -0.08 -0.43 2.15 -1.14 -4.60 116.67 105.36 3k3i s ASP 88 Ca -0.02 0.25 -0.05 0.00 0.43 0.00 0.00 52.55 53.16 3k3i s ASP 88 Cb 0.09 0.43 0.03 0.00 -0.30 0.00 0.00 42.92 43.16 3k3i s ASP 88 CO 0.84 -0.60 0.19 0.54 -0.17 0.00 0.00 175.17 175.97 3k3i s VAL 89 N -2.30 -0.02 0.19 1.11 0.11 -1.26 -0.64 120.40 117.58 3k3i s VAL 89 Ca -0.01 0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 3k3i s VAL 89 Cb -0.01 -0.29 -0.00 0.00 -1.53 0.00 0.00 36.38 34.56 3k3i s VAL 89 CO -0.03 0.03 0.37 0.72 -3.33 0.00 0.00 175.10 172.86 3k3i s PHE 90 N 0.66 0.30 -0.03 1.54 -0.12 -0.46 -4.99 117.98 114.89 3k3i s PHE 90 Ca -0.05 -0.66 -0.04 0.00 -0.05 0.00 0.00 56.93 56.14 3k3i s PHE 90 Cb -0.06 0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.40 3k3i s PHE 90 CO -0.04 -0.81 0.09 -0.08 -0.05 0.00 0.00 175.22 174.33 3k3i s THR 91 N -3.96 0.02 -0.54 -4.49 -1.32 -1.26 -0.95 115.64 103.14 3k3i s THR 91 Ca 0.17 -0.19 0.21 0.00 -1.21 0.00 0.00 61.69 60.67 3k3i s THR 91 Cb 0.02 -0.20 0.22 0.00 -1.51 0.00 0.00 72.50 71.03 3k3i s THR 91 CO 0.01 -0.10 1.65 -0.81 -2.21 0.00 0.00 174.62 173.16 3k3i n PRO 92 N 2.66 0.15 -1.77 7.08 -0.04 -1.26 -4.83 135.00 136.99 3k3i n PRO 92 Ca -0.15 0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 3k3i n PRO 92 Cb 0.58 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 3k3i n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k3i n ALA 93 N -1.73 2.27 0.75 0.55 0.00 -1.26 -4.94 120.51 116.15 3k3i n ALA 93 Ca 0.02 0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.88 3k3i n ALA 93 Cb 0.19 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.14 3k3i n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k3i n ARG 94 N 0.30 0.17 -3.86 0.00 1.74 -1.26 -4.99 116.66 108.76 3k3i n ARG 94 Ca 0.02 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.97 3k3i n ARG 94 Cb 0.39 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3k3i n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3k3i s SER 95 N -3.41 -0.02 0.26 0.55 1.04 -1.26 -5.05 113.70 105.81 3k3i s SER 95 Ca 0.04 -0.68 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 3k3i s SER 95 Cb 0.15 0.43 0.47 0.00 0.10 0.00 0.00 66.02 67.18 3k3i s SER 95 CO 0.86 -0.86 1.81 0.25 0.98 0.00 0.00 173.24 176.28 3k3i h LEU 96 N 2.53 0.74 -1.42 2.42 5.85 -1.97 -2.71 115.31 120.74 3k3i h LEU 96 Ca -0.32 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3k3i h LEU 96 Cb 1.23 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3k3i h LEU 96 CO 0.49 0.40 0.41 1.05 -0.34 0.00 0.00 178.44 180.44 3k3i h GLU 97 N 0.84 0.75 -0.39 1.25 9.09 -2.02 -1.88 114.58 122.22 3k3i h GLU 97 Ca 0.44 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.81 3k3i h GLU 97 Cb 0.45 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3k3i h GLU 97 CO -0.27 0.49 0.00 -0.85 0.05 0.00 0.00 179.01 178.43 3k3i n GLU 98 N -4.46 2.27 -2.29 1.06 0.28 -1.04 -4.93 120.64 111.53 3k3i n GLU 98 Ca 0.07 -1.93 -0.43 0.00 -0.16 0.00 0.00 57.16 54.71 3k3i n GLU 98 Cb 0.10 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.48 3k3i n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3k3i s PHE 99 N -1.50 2.30 0.00 -1.84 5.36 -0.71 -4.75 117.98 116.84 3k3i s PHE 99 Ca 0.37 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 3k3i s PHE 99 Cb 0.21 -4.28 0.00 0.00 -0.34 0.00 0.00 43.02 38.61 3k3i s PHE 99 CO 0.29 -2.15 0.30 -1.71 -1.46 0.00 0.00 175.22 170.49 3k3i n ASN 100 N 9.04 0.03 -3.88 6.13 5.15 -1.26 -5.06 115.26 125.41 3k3i n ASN 100 Ca 0.18 -1.01 -0.11 0.00 -0.60 0.00 0.00 54.58 53.03 3k3i n ASN 100 Cb 0.48 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.60 3k3i n ASN 100 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3k3i s ASP 101 N -0.01 0.01 -0.06 1.20 1.01 -1.26 -4.63 116.67 112.93 3k3i s ASP 101 Ca 0.00 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.22 3k3i s ASP 101 Cb 0.00 0.15 0.02 0.00 1.01 0.00 0.00 42.92 44.10 3k3i s ASP 101 CO 0.00 -0.14 -0.04 -0.69 0.21 0.00 0.00 175.17 174.51 3k3i s VAL 102 N -0.51 0.59 -0.02 -1.27 1.01 -1.26 -4.52 120.40 114.42 3k3i s VAL 102 Ca -0.06 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.87 3k3i s VAL 102 Cb -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3k3i s VAL 102 CO 0.00 0.25 -0.21 -0.31 0.00 0.00 0.00 175.10 174.83 3k3i s TYR 103 N 1.13 2.48 -0.02 5.22 2.02 -0.12 -1.62 117.35 126.44 3k3i s TYR 103 Ca -0.07 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 3k3i s TYR 103 Cb -0.14 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 3k3i s TYR 103 CO -0.01 0.08 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.29 3k3i s LEU 104 N -0.78 2.05 -0.04 -1.29 1.43 -0.34 -1.35 118.68 118.36 3k3i s LEU 104 Ca 0.11 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3k3i s LEU 104 Cb -0.10 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 3k3i s LEU 104 CO 0.00 0.31 -0.18 -0.69 0.23 0.00 0.00 176.35 176.02 3k3i s VAL 105 N -0.58 1.52 0.15 -1.59 1.01 0.19 -0.43 120.40 120.66 3k3i s VAL 105 Ca 0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3k3i s VAL 105 Cb -0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3k3i s VAL 105 CO -0.01 0.43 0.11 0.28 0.00 0.00 0.00 175.10 175.91 3k3i s THR 106 N -0.06 0.08 0.27 3.92 -1.32 -0.57 -0.53 115.64 117.42 3k3i s THR 106 Ca -0.02 -1.85 -0.31 0.00 -1.21 0.00 0.00 61.69 58.31 3k3i s THR 106 Cb -0.11 -2.09 -0.12 0.00 -1.51 0.00 0.00 72.50 68.66 3k3i s THR 106 CO 0.02 -0.36 1.51 1.41 -2.21 0.00 0.00 174.62 174.99 3k3i n HIS 107 N -0.14 2.53 -2.43 9.09 8.25 -1.26 -0.33 115.22 130.93 3k3i n HIS 107 Ca -0.04 0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 57.33 3k3i n HIS 107 Cb 0.64 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 29.19 3k3i n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3k3i s LEU 108 N -0.19 4.31 0.06 2.41 2.96 -0.52 -4.45 118.68 123.25 3k3i s LEU 108 Ca 0.66 1.89 0.02 0.00 -0.22 0.00 0.00 54.13 56.48 3k3i s LEU 108 Cb -0.57 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.52 3k3i s LEU 108 CO 0.49 -0.57 0.08 -0.04 -1.32 0.00 0.00 176.35 175.00 3k3i s MET 109 N 1.94 2.95 0.17 1.98 -1.94 -1.26 -4.88 119.30 118.26 3k3i s MET 109 Ca 0.57 -0.63 -0.18 0.00 -1.71 0.00 0.00 55.69 53.75 3k3i s MET 109 Cb -0.26 -2.77 0.09 0.00 2.01 0.00 0.00 34.83 33.90 3k3i s MET 109 CO 0.24 0.59 1.66 0.78 -0.01 0.00 0.00 175.02 178.28 3k3i h GLY 110 N 3.51 0.23 -0.07 -0.03 0.00 -1.92 -3.48 103.07 101.31 3k3i h GLY 110 Ca -0.47 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3k3i h GLY 110 CO 0.65 -0.17 0.03 0.00 0.00 0.00 0.00 176.54 177.05 3k3i n ALA 111 N -2.75 -0.14 -2.40 3.60 0.00 -0.75 -5.01 120.51 113.07 3k3i n ALA 111 Ca 0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 3k3i n ALA 111 Cb 0.24 0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 3k3i n ALA 111 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3k3i s ASP 112 N -1.14 2.04 0.55 0.00 3.84 -1.26 -0.27 116.67 120.42 3k3i s ASP 112 Ca 0.01 -1.34 0.33 0.00 -0.00 0.00 0.00 52.55 51.55 3k3i s ASP 112 Cb -0.00 -0.02 1.50 0.00 -1.38 0.00 0.00 42.92 43.02 3k3i s ASP 112 CO 0.01 -0.60 2.04 -0.07 -0.00 0.00 0.00 175.17 176.55 3k3i h LEU 113 N 2.24 0.00 -0.56 2.11 3.38 -0.82 -2.34 115.31 119.32 3k3i h LEU 113 Ca -0.40 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 3k3i h LEU 113 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3k3i h LEU 113 CO 0.67 0.05 -0.38 -1.13 0.09 0.00 0.00 178.44 177.74 3k3i h ASN 114 N 0.00 0.78 0.50 -0.43 -1.24 -1.85 -3.19 115.58 110.14 3k3i h ASN 114 Ca -0.00 -0.34 -0.02 0.00 0.71 0.00 0.00 56.30 56.64 3k3i h ASN 114 Cb 0.43 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 3k3i h ASN 114 CO 0.01 1.07 -0.35 0.78 -1.29 0.00 0.00 177.43 177.64 3k3i h ASN 115 N 0.60 -0.92 -0.19 1.15 2.35 -1.78 -3.50 115.58 113.30 3k3i h ASN 115 Ca 0.05 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3k3i h ASN 115 Cb 0.92 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3k3i h ASN 115 CO 0.08 -0.52 -0.00 -0.38 -1.65 0.00 0.00 177.43 174.97 3k3i n ILE 116 N -4.58 0.00 -1.66 2.81 5.41 -1.12 -5.08 119.36 115.14 3k3i n ILE 116 Ca -0.10 0.00 -0.54 0.00 1.00 0.00 0.00 62.75 63.11 3k3i n ILE 116 Cb 0.35 -0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.21 3k3i n ILE 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3k3i n LYS 121 N 0.49 1.30 -4.17 0.38 4.81 -1.26 -4.96 118.16 114.76 3k3i n LYS 121 Ca 0.00 0.47 -0.22 0.00 -0.87 0.00 0.00 58.31 57.69 3k3i n LYS 121 Cb 0.00 -2.16 -0.05 0.00 0.02 0.00 0.00 35.03 32.84 3k3i n LYS 121 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3k3i s LEU 122 N 2.26 3.58 0.71 3.14 1.02 -0.46 -4.99 118.68 123.94 3k3i s LEU 122 Ca 0.91 -0.40 -0.15 0.00 0.02 0.00 0.00 54.13 54.51 3k3i s LEU 122 Cb -0.97 -2.11 0.03 0.00 0.02 0.00 0.00 46.19 43.16 3k3i s LEU 122 CO 0.55 -0.04 1.17 0.42 0.02 0.00 0.00 176.35 178.47 3k3i s THR 123 N -2.21 2.65 0.25 5.49 -4.23 -1.26 -4.76 115.64 111.57 3k3i s THR 123 Ca 0.33 0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 3k3i s THR 123 Cb -0.07 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.18 3k3i s THR 123 CO 0.23 -0.18 1.91 -0.78 -0.54 0.00 0.00 174.62 175.26 3k3i h ASP 124 N -0.26 1.11 -1.00 3.99 3.58 -1.98 -0.73 116.42 121.13 3k3i h ASP 124 Ca -0.47 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 56.94 3k3i h ASP 124 Cb 1.28 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 42.00 3k3i h ASP 124 CO 0.51 0.83 0.67 0.44 -2.88 0.00 0.00 179.24 178.81 3k3i h ASP 125 N 1.29 1.15 -0.47 2.28 3.32 -2.00 0.57 116.42 122.56 3k3i h ASP 125 Ca 0.34 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 3k3i h ASP 125 Cb -0.09 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 3k3i h ASP 125 CO -0.07 0.83 -0.09 0.45 -1.72 0.00 0.00 179.24 178.64 3k3i h HIS 126 N 1.36 0.99 -0.14 4.55 3.86 -1.74 -2.63 115.15 121.40 3k3i h HIS 126 Ca 0.37 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3k3i h HIS 126 Cb -0.15 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.06 3k3i h HIS 126 CO -0.00 0.97 0.06 0.28 0.86 0.00 0.00 177.93 180.10 3k3i h VAL 127 N 0.73 0.98 -0.56 2.45 2.07 -0.68 -0.74 116.25 120.51 3k3i h VAL 127 Ca 0.12 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.70 3k3i h VAL 127 Cb 0.63 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 3k3i h VAL 127 CO 0.04 0.02 0.08 1.56 0.02 0.00 0.00 177.57 179.29 3k3i h GLN 128 N 0.14 0.19 -0.18 1.57 4.20 -0.79 0.34 115.11 120.59 3k3i h GLN 128 Ca 0.06 -0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.54 3k3i h GLN 128 Cb 0.02 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.77 3k3i h GLN 128 CO -0.05 0.13 -0.74 0.35 -0.67 0.00 0.00 178.83 177.85 3k3i h PHE 129 N 0.20 1.07 -0.14 2.96 3.57 -1.26 -0.32 116.94 123.01 3k3i h PHE 129 Ca 0.29 -0.45 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 3k3i h PHE 129 Cb 0.43 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 3k3i h PHE 129 CO -0.27 1.29 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.99 3k3i h LEU 130 N 0.56 0.28 -0.55 0.59 3.38 -0.78 -2.52 115.31 116.26 3k3i h LEU 130 Ca -0.04 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 3k3i h LEU 130 Cb 1.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3k3i h LEU 130 CO 0.15 0.59 -0.32 0.40 0.09 0.00 0.00 178.44 179.35 3k3i h ILE 131 N -0.02 1.28 -0.55 1.22 1.08 -0.98 -1.75 117.51 117.79 3k3i h ILE 131 Ca 0.04 -1.47 0.11 0.00 -0.39 0.00 0.00 64.86 63.14 3k3i h ILE 131 Cb 0.46 1.33 -0.09 0.00 -3.07 0.00 0.00 36.82 35.45 3k3i h ILE 131 CO 0.01 0.49 -0.02 0.22 -0.69 0.00 0.00 178.15 178.17 3k3i h TYR 132 N 0.69 -0.06 -0.53 1.37 3.20 -1.05 0.06 116.97 120.65 3k3i h TYR 132 Ca 0.07 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3k3i h TYR 132 Cb 0.87 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3k3i h TYR 132 CO 0.05 -0.15 0.17 1.96 -1.64 0.00 0.00 178.16 178.55 3k3i h GLN 133 N 0.10 0.83 -0.10 1.82 4.20 -1.13 0.88 115.11 121.70 3k3i h GLN 133 Ca 0.28 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3k3i h GLN 133 Cb 0.44 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3k3i h GLN 133 CO -0.48 0.76 0.05 0.82 -0.67 0.00 0.00 178.83 179.31 3k3i h ILE 134 N 0.74 1.00 -0.26 2.54 2.04 -0.90 -0.78 117.51 121.90 3k3i h ILE 134 Ca 0.17 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 3k3i h ILE 134 Cb 0.28 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3k3i h ILE 134 CO -0.01 0.02 -0.05 -0.07 0.00 0.00 0.00 178.15 178.05 3k3i h LEU 135 N 0.11 0.37 -0.28 1.44 3.38 -0.73 0.16 115.31 119.75 3k3i h LEU 135 Ca 0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3k3i h LEU 135 Cb 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3k3i h LEU 135 CO -0.03 0.47 0.02 -0.09 0.09 0.00 0.00 178.44 178.90 3k3i h ARG 136 N 0.38 0.49 -0.61 1.13 2.43 -0.53 0.27 114.38 117.94 3k3i h ARG 136 Ca 0.08 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3k3i h ARG 136 Cb 0.33 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3k3i h ARG 136 CO 0.01 0.63 0.00 0.78 -1.51 0.00 0.00 179.97 179.88 3k3i h GLY 137 N 0.28 1.16 1.50 2.80 0.00 -0.74 -2.96 103.07 105.12 3k3i h GLY 137 Ca 0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 3k3i h GLY 137 CO 0.01 0.78 -0.03 1.41 0.00 0.00 0.00 176.54 178.72 3k3i h LEU 138 N 0.98 0.59 -0.38 3.11 3.38 -0.35 -0.17 115.31 122.46 3k3i h LEU 138 Ca 0.17 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3k3i h LEU 138 Cb 0.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3k3i h LEU 138 CO 0.03 0.68 0.10 0.50 0.09 0.00 0.00 178.44 179.84 3k3i h LYS 139 N 0.58 0.23 0.34 1.13 3.64 -0.31 0.93 116.57 123.11 3k3i h LYS 139 Ca 0.12 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3k3i h LYS 139 Cb 0.41 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3k3i h LYS 139 CO 0.02 0.15 -0.23 -0.92 -2.27 0.00 0.00 179.45 176.20 3k3i h TYR 140 N 0.24 -0.61 -0.28 1.91 3.20 -1.31 -0.80 116.97 119.32 3k3i h TYR 140 Ca 0.18 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.05 3k3i h TYR 140 Cb 0.19 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3k3i h TYR 140 CO -0.17 -0.35 0.17 0.82 -1.64 0.00 0.00 178.16 176.99 3k3i h ILE 141 N -0.56 1.05 -0.21 1.81 2.04 -0.76 -2.34 117.51 118.55 3k3i h ILE 141 Ca -0.03 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3k3i h ILE 141 Cb 0.48 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3k3i h ILE 141 CO 0.01 0.07 -0.09 0.45 0.00 0.00 0.00 178.15 178.59 3k3i h HIS 142 N 0.36 0.34 0.00 1.37 3.86 -0.80 -2.11 115.15 118.17 3k3i h HIS 142 Ca 0.11 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3k3i h HIS 142 Cb -0.03 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.35 3k3i h HIS 142 CO -0.07 0.42 0.00 0.66 0.86 0.00 0.00 177.93 179.81 3k3i h SER 143 N 0.31 0.00 -0.20 2.45 4.64 -0.57 -0.14 113.55 120.04 3k3i h SER 143 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3k3i h SER 143 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3k3i h SER 143 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 3k3i n ALA 144 N -1.96 2.50 -3.62 5.18 0.00 -0.81 -4.74 120.51 117.06 3k3i n ALA 144 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.64 3k3i n ALA 144 Cb 0.21 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.67 3k3i n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k3i n ASP 145 N 0.44 -4.62 -4.56 0.00 8.00 -0.06 -4.17 116.55 111.58 3k3i n ASP 145 Ca 0.16 -0.63 -0.33 0.00 0.71 0.00 0.00 54.79 54.70 3k3i n ASP 145 Cb 0.35 -4.77 -0.12 0.00 -0.02 0.00 0.00 41.12 36.56 3k3i n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3i s ILE 146 N -3.36 3.51 -0.14 0.53 1.01 -1.10 -5.05 121.20 116.61 3k3i s ILE 146 Ca 0.41 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.45 3k3i s ILE 146 Cb -0.19 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 3k3i s ILE 146 CO 0.75 0.55 -0.13 -0.63 0.00 0.00 0.00 174.94 175.49 3k3i s ILE 147 N -0.83 2.95 0.01 2.92 1.01 -1.26 -3.95 121.20 122.05 3k3i s ILE 147 Ca 0.13 -0.69 -0.25 0.00 0.00 0.00 0.00 60.65 59.84 3k3i s ILE 147 Cb -0.11 -2.24 -0.17 0.00 0.01 0.00 0.00 42.46 39.94 3k3i s ILE 147 CO 0.02 0.52 1.32 -0.74 0.00 0.00 0.00 174.94 176.06 3k3i h HIS 148 N 6.92 -0.22 0.00 3.97 -0.00 -1.96 -3.47 115.15 120.38 3k3i h HIS 148 Ca -0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3k3i h HIS 148 Cb 1.21 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3k3i h HIS 148 CO 0.51 0.11 0.00 0.54 -0.00 0.00 0.00 177.93 179.08 3k3i n ARG 149 N -5.05 0.00 -1.56 5.26 1.74 -1.26 -4.79 116.66 111.00 3k3i n ARG 149 Ca -0.09 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3k3i n ARG 149 Cb 0.23 -1.86 0.08 0.00 -1.02 0.00 0.00 32.46 29.89 3k3i n ARG 149 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3k3i n ASP 150 N 0.00 1.90 -4.73 0.55 8.00 -1.26 -5.02 116.55 115.99 3k3i n ASP 150 Ca 0.00 -2.83 -0.42 0.00 0.71 0.00 0.00 54.79 52.26 3k3i n ASP 150 Cb 0.00 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 3k3i n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3k3i s LEU 151 N -2.20 4.41 -0.09 0.64 1.43 -1.26 -4.84 118.68 116.77 3k3i s LEU 151 Ca 0.36 2.27 -0.31 0.00 -1.03 0.00 0.00 54.13 55.42 3k3i s LEU 151 Cb 0.37 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 43.11 3k3i s LEU 151 CO -0.09 -0.50 1.02 -1.59 0.23 0.00 0.00 176.35 175.43 3k3i s LYS 152 N 0.30 0.60 0.37 1.70 -2.85 -1.26 -4.81 119.74 113.78 3k3i s LYS 152 Ca 0.57 -0.20 0.12 0.00 -1.00 0.00 0.00 55.97 55.47 3k3i s LYS 152 Cb -0.34 0.28 0.92 0.00 -2.06 0.00 0.00 37.83 36.63 3k3i s LYS 152 CO 0.35 -0.26 1.82 -1.35 0.10 0.00 0.00 175.35 176.01 3k3i h PRO 153 N 2.03 0.56 0.00 1.78 0.11 -1.93 0.05 132.00 134.60 3k3i h PRO 153 Ca -0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3k3i h PRO 153 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k3i h PRO 153 CO 0.28 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 3k3i n SER 154 N -4.61 0.18 -1.53 -2.05 3.41 -1.26 -1.71 113.62 106.04 3k3i n SER 154 Ca 0.21 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 3k3i n SER 154 Cb 0.64 -0.58 0.34 0.00 -0.26 0.00 0.00 64.21 64.34 3k3i n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k3i n ASN 155 N -1.70 4.55 -4.02 4.04 3.02 0.00 -4.81 115.26 116.35 3k3i n ASN 155 Ca 0.04 -2.47 -0.31 0.00 -0.03 0.00 0.00 54.58 51.80 3k3i n ASN 155 Cb 0.21 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.65 3k3i n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k3i s LEU 156 N -1.83 3.09 -0.04 3.41 1.43 -0.70 -1.62 118.68 122.43 3k3i s LEU 156 Ca 0.48 -1.31 -0.20 0.00 -1.03 0.00 0.00 54.13 52.07 3k3i s LEU 156 Cb 0.31 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 3k3i s LEU 156 CO 0.22 -0.21 0.56 0.00 0.23 0.00 0.00 176.35 177.15 3k3i s ALA 157 N 1.22 3.49 -0.03 4.21 0.00 -0.10 -1.62 121.76 128.93 3k3i s ALA 157 Ca -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3k3i s ALA 157 Cb -0.20 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.23 3k3i s ALA 157 CO -0.05 0.13 -0.03 0.08 0.00 0.00 0.00 175.76 175.88 3k3i s VAL 158 N 0.01 0.40 0.69 0.00 1.01 0.62 -0.85 120.40 122.28 3k3i s VAL 158 Ca 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 3k3i s VAL 158 Cb -0.17 -0.42 0.11 0.00 0.00 0.00 0.00 36.38 35.90 3k3i s VAL 158 CO 0.15 0.17 0.95 0.54 0.00 0.00 0.00 175.10 176.92 3k3i s ASN 159 N 0.62 4.53 0.55 3.32 2.20 -0.55 -1.81 114.94 123.80 3k3i s ASN 159 Ca -0.07 -0.27 0.27 0.00 -0.94 0.00 0.00 52.86 51.85 3k3i s ASN 159 Cb -0.11 -0.21 1.57 0.00 -2.00 0.00 0.00 41.25 40.51 3k3i s ASN 159 CO -0.00 -1.72 2.15 -0.33 -2.94 0.00 0.00 177.10 174.25 3k3i h GLU 160 N -0.42 0.00 0.00 3.55 5.08 -1.97 -0.48 114.58 120.35 3k3i h GLU 160 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3k3i h GLU 160 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3k3i h GLU 160 CO 0.43 0.07 0.00 -3.47 -1.00 0.00 0.00 179.01 175.04 3k3i n ASP 161 N -3.79 0.00 0.00 1.42 2.03 -1.26 -4.88 116.55 110.07 3k3i n ASP 161 Ca -0.02 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.50 3k3i n ASP 161 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 3k3i n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k3i s GLU 163 N -0.83 4.47 0.04 0.00 2.02 -1.26 -4.82 118.70 118.32 3k3i s GLU 163 Ca 0.00 1.98 0.08 0.00 0.02 0.00 0.00 54.97 57.05 3k3i s GLU 163 Cb 0.00 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 3k3i s GLU 163 CO 0.00 -0.09 -0.22 -1.17 0.02 0.00 0.00 175.26 173.80 3k3i s LEU 164 N -0.82 2.15 -0.01 1.80 0.20 -1.26 -1.48 118.68 119.26 3k3i s LEU 164 Ca 0.51 -0.52 0.02 0.00 0.69 0.00 0.00 54.13 54.83 3k3i s LEU 164 Cb -0.35 -1.07 0.00 0.00 -0.43 0.00 0.00 46.19 44.34 3k3i s LEU 164 CO 0.42 0.20 -0.07 -0.54 -0.29 0.00 0.00 176.35 176.06 3k3i s LYS 165 N -1.11 0.66 0.11 1.98 1.02 -0.03 -4.36 119.74 118.02 3k3i s LYS 165 Ca 0.09 -0.23 -0.27 0.00 0.02 0.00 0.00 55.97 55.58 3k3i s LYS 165 Cb -0.09 -0.64 -0.07 0.00 -0.52 0.00 0.00 37.83 36.51 3k3i s LYS 165 CO 0.01 0.11 0.83 0.42 -0.92 0.00 0.00 175.35 175.80 3k3i s ILE 166 N 0.05 4.51 0.00 2.17 1.01 0.01 -0.92 121.20 128.04 3k3i s ILE 166 Ca -0.00 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.44 3k3i s ILE 166 Cb -0.05 -4.19 -0.00 0.00 0.01 0.00 0.00 42.46 38.23 3k3i s ILE 166 CO -0.00 0.41 0.01 0.00 0.00 0.00 0.00 174.94 175.36 3k3i n LEU 167 N 2.31 0.00 -3.62 2.97 -0.00 -0.64 -0.98 117.00 117.04 3k3i n LEU 167 Ca -0.02 -0.04 -0.21 0.00 -0.00 0.00 0.00 56.01 55.73 3k3i n LEU 167 Cb 0.49 0.03 -0.16 0.00 -0.00 0.00 0.00 43.42 43.78 3k3i n LEU 167 CO 0.48 -0.01 -0.29 -0.62 -0.00 0.00 0.00 177.39 176.95 3k3i s ASP 168 N -1.03 1.48 0.30 1.45 -1.08 -1.26 -4.76 116.67 111.77 3k3i s ASP 168 Ca 0.00 -0.14 0.25 0.00 -0.52 0.00 0.00 52.55 52.15 3k3i s ASP 168 Cb 0.00 0.02 0.74 0.00 -1.46 0.00 0.00 42.92 42.22 3k3i s ASP 168 CO 0.00 -0.30 1.74 -0.26 0.52 0.00 0.00 175.17 176.88 3k3i h PHE 169 N 8.39 0.00 -6.24 -5.34 0.04 -1.92 -3.52 116.94 108.35 3k3i h PHE 169 Ca -0.14 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.19 3k3i h PHE 169 Cb 1.13 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.36 3k3i h PHE 169 CO 0.30 0.00 -0.94 0.41 -0.60 0.00 0.00 178.31 177.48 3k3i n GLY 170 N 1.01 -0.94 1.77 -1.45 0.00 -1.26 -4.91 105.19 99.42 3k3i n GLY 170 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3k3i n GLY 170 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k3i n VAL 183 N -4.21 -4.25 -2.97 1.61 0.31 -1.26 -4.79 118.33 102.77 3k3i n VAL 183 Ca -0.11 1.07 -0.40 0.00 -0.01 0.00 0.00 64.34 64.89 3k3i n VAL 183 Cb 0.60 -2.24 -0.05 0.00 -0.91 0.00 0.00 33.84 31.24 3k3i n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k3i s ALA 184 N -0.17 3.33 0.27 3.52 0.00 -1.26 -4.94 121.76 122.51 3k3i s ALA 184 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.22 3k3i s ALA 184 Cb 0.00 -3.02 0.59 0.00 0.00 0.00 0.00 23.12 20.69 3k3i s ALA 184 CO 0.00 -0.04 1.74 1.15 0.00 0.00 0.00 175.76 178.61 3k3i h THR 185 N 4.47 0.65 -0.17 0.00 2.02 -1.99 -2.08 112.91 115.81 3k3i h THR 185 Ca -0.42 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 66.62 3k3i h THR 185 Cb 1.20 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3k3i h THR 185 CO 0.73 0.10 0.19 0.08 0.37 0.00 0.00 175.52 177.00 3k3i h ARG 186 N 0.55 0.00 0.00 6.66 0.11 -1.96 -1.56 114.38 118.19 3k3i h ARG 186 Ca 0.49 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.57 3k3i h ARG 186 Cb 0.78 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.86 3k3i h ARG 186 CO -0.41 0.00 -0.03 -1.49 0.10 0.00 0.00 179.97 178.13 3k3i h TRP 187 N 0.00 0.00 -0.15 4.08 6.55 -1.60 -2.10 115.95 122.73 3k3i h TRP 187 Ca 0.08 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.92 3k3i h TRP 187 Cb 0.46 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.76 3k3i h TRP 187 CO 0.00 0.03 0.00 0.66 -1.05 0.00 0.00 178.44 178.08 3k3i n TYR 188 N -3.32 0.19 -3.09 0.49 4.02 -0.59 -4.49 117.16 110.37 3k3i n TYR 188 Ca -0.02 -0.19 -0.39 0.00 -0.01 0.00 0.00 57.90 57.29 3k3i n TYR 188 Cb 0.16 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.41 3k3i n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3k3i s ARG 189 N -1.02 4.43 0.62 -0.72 1.81 -0.79 -3.77 118.95 119.52 3k3i s ARG 189 Ca 0.19 1.00 -0.19 0.00 -1.72 0.00 0.00 55.73 55.00 3k3i s ARG 189 Cb 0.11 -3.26 -0.02 0.00 -0.45 0.00 0.00 34.95 31.33 3k3i s ARG 189 CO 0.16 0.58 1.29 0.00 -0.68 0.00 0.00 175.30 176.65 3k3i s ALA 190 N -1.07 2.47 0.36 2.13 0.00 -1.26 -4.86 121.76 119.54 3k3i s ALA 190 Ca 0.33 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.54 3k3i s ALA 190 Cb -0.22 -3.54 0.70 0.00 0.00 0.00 0.00 23.12 20.07 3k3i s ALA 190 CO 0.23 -1.48 1.95 -1.00 0.00 0.00 0.00 175.76 175.46 3k3i h PRO 191 N 0.75 0.54 0.00 0.00 0.13 -1.96 -1.46 132.00 129.99 3k3i h PRO 191 Ca -0.51 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 64.50 3k3i h PRO 191 Cb 1.32 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3k3i h PRO 191 CO 0.54 0.48 -0.18 1.05 -0.23 0.00 0.00 178.00 179.65 3k3i h GLU 192 N 0.53 0.00 -0.14 0.86 9.09 -1.92 -0.88 114.58 122.13 3k3i h GLU 192 Ca 0.13 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.32 3k3i h GLU 192 Cb 0.17 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.28 3k3i h GLU 192 CO -0.01 0.18 -0.79 0.82 0.05 0.00 0.00 179.01 179.27 3k3i h ILE 193 N 0.00 1.28 -0.82 -1.06 2.04 -1.59 -0.95 117.51 116.41 3k3i h ILE 193 Ca -0.00 -2.00 0.12 0.00 1.00 0.00 0.00 64.86 63.98 3k3i h ILE 193 Cb 0.34 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.34 3k3i h ILE 193 CO 0.02 0.63 0.44 0.24 0.00 0.00 0.00 178.15 179.48 3k3i h MET 194 N 0.52 0.67 0.00 2.37 2.86 -0.96 -0.79 114.93 119.59 3k3i h MET 194 Ca -0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3k3i h MET 194 Cb 1.41 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.92 3k3i h MET 194 CO 0.16 0.44 0.00 -0.11 1.06 0.00 0.00 176.91 178.46 3k3i n LEU 195 N -4.82 0.00 -2.75 1.22 7.94 -0.42 -4.90 117.00 113.27 3k3i n LEU 195 Ca 0.15 0.33 -0.19 0.00 -1.11 0.00 0.00 56.01 55.19 3k3i n LEU 195 Cb 0.35 -0.33 0.05 0.00 0.53 0.00 0.00 43.42 44.02 3k3i n LEU 195 CO 0.24 -0.09 0.10 -3.20 -1.11 0.00 0.00 177.39 173.32 3k3i n ASN 196 N -1.33 -5.43 -4.68 1.96 4.05 -0.30 -4.97 115.26 104.56 3k3i n ASN 196 Ca 0.09 -0.33 -0.42 0.00 0.45 0.00 0.00 54.58 54.36 3k3i n ASN 196 Cb 0.19 -4.15 -0.03 0.00 1.23 0.00 0.00 39.78 37.02 3k3i n ASN 196 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3k3i s TRP 197 N -3.16 2.64 0.19 1.20 -0.00 -0.41 -4.90 118.94 114.49 3k3i s TRP 197 Ca 0.36 0.66 0.31 0.00 -0.00 0.00 0.00 56.10 57.43 3k3i s TRP 197 Cb -0.16 -3.73 1.31 0.00 -0.00 0.00 0.00 33.47 30.90 3k3i s TRP 197 CO 0.45 -2.80 1.97 1.98 -0.00 0.00 0.00 176.95 178.55 3k3i h MET 198 N 8.25 0.00 -0.47 5.86 1.85 -1.93 -3.29 114.93 125.20 3k3i h MET 198 Ca -0.37 0.00 -0.28 0.00 -0.61 0.00 0.00 59.70 58.44 3k3i h MET 198 Cb 1.17 0.00 -0.17 0.00 0.43 0.00 0.00 31.60 33.03 3k3i h MET 198 CO 0.92 0.08 -0.09 0.72 -0.40 0.00 0.00 176.91 178.14 3k3i n HIS 199 N -3.25 1.52 -0.67 1.39 8.25 -1.26 -5.03 115.22 116.17 3k3i n HIS 199 Ca -0.00 -1.82 -0.31 0.00 -0.26 0.00 0.00 57.72 55.33 3k3i n HIS 199 Cb 0.32 -0.56 0.17 0.00 1.12 0.00 0.00 29.99 31.04 3k3i n HIS 199 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3k3i n TYR 200 N -1.06 0.74 -4.22 4.41 0.18 -1.24 -5.04 117.16 110.94 3k3i n TYR 200 Ca 0.38 0.39 -0.14 0.00 1.88 0.00 0.00 57.90 60.41 3k3i n TYR 200 Cb 1.01 -1.99 -0.02 0.00 -0.38 0.00 0.00 39.34 37.96 3k3i n TYR 200 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 3k3i n ASN 201 N -4.15 2.47 0.34 9.48 0.23 -1.26 -5.02 115.26 117.35 3k3i n ASN 201 Ca 0.12 -1.94 0.23 0.00 -0.53 0.00 0.00 54.58 52.45 3k3i n ASN 201 Cb 0.52 0.13 1.21 0.00 -2.08 0.00 0.00 39.78 39.56 3k3i n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3k3i h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.96 -2.24 115.11 111.28 3k3i h GLN 202 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3k3i h GLN 202 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3k3i h GLN 202 CO 0.29 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.70 3k3i n THR 203 N -3.08 0.02 -0.02 -0.54 -2.24 -1.26 -1.45 114.28 105.71 3k3i n THR 203 Ca -0.03 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 3k3i n THR 203 Cb 0.08 -0.65 0.45 0.00 -2.10 0.00 0.00 70.33 68.10 3k3i n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3k3i h VAL 204 N 0.00 1.05 -0.18 2.28 -1.51 -1.80 -0.57 116.25 115.52 3k3i h VAL 204 Ca 0.00 -0.17 -0.19 0.00 -1.23 0.00 0.00 66.70 65.11 3k3i h VAL 204 Cb 0.01 0.50 -0.00 0.00 -2.13 0.00 0.00 31.29 29.67 3k3i h VAL 204 CO 0.00 0.09 -0.64 0.44 -1.23 0.00 0.00 177.57 176.23 3k3i h ASP 205 N 0.50 0.76 -0.77 4.19 3.32 -1.50 -2.69 116.42 120.24 3k3i h ASP 205 Ca 0.18 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.80 3k3i h ASP 205 Cb 0.10 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3k3i h ASP 205 CO -0.04 1.21 0.50 0.40 -1.72 0.00 0.00 179.24 179.58 3k3i h ILE 206 N 0.49 1.16 -0.28 0.35 1.08 -1.49 -1.25 117.51 117.57 3k3i h ILE 206 Ca -0.01 -0.34 0.06 0.00 -0.39 0.00 0.00 64.86 64.18 3k3i h ILE 206 Cb 1.23 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.98 3k3i h ILE 206 CO 0.13 0.18 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.36 3k3i h TRP 207 N 1.00 -0.38 -0.64 1.37 2.91 -0.96 -1.33 115.95 117.92 3k3i h TRP 207 Ca 0.29 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.40 3k3i h TRP 207 Cb -0.06 0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 28.75 3k3i h TRP 207 CO -0.03 -0.23 0.36 0.77 -1.03 0.00 0.00 178.44 178.29 3k3i h SER 208 N -0.12 0.54 -0.63 2.65 0.02 -1.10 -1.23 113.55 113.68 3k3i h SER 208 Ca 0.15 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 3k3i h SER 208 Cb 0.35 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 3k3i h SER 208 CO -0.35 0.36 0.21 0.58 -1.14 0.00 0.00 176.83 176.48 3k3i h VAL 209 N 0.68 1.24 -0.66 2.27 2.07 -0.81 0.47 116.25 121.51 3k3i h VAL 209 Ca 0.28 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3k3i h VAL 209 Cb 0.15 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3k3i h VAL 209 CO -0.16 0.32 0.43 1.23 0.02 0.00 0.00 177.57 179.41 3k3i h GLY 210 N 1.05 0.94 0.97 2.17 0.00 -0.37 0.19 103.07 108.02 3k3i h GLY 210 Ca 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3k3i h GLY 210 CO -0.01 0.32 0.15 0.00 0.00 0.00 0.00 176.54 177.00 3k3i h ILE 212 N 0.69 1.22 -0.45 0.00 2.04 -0.60 -2.17 117.51 118.24 3k3i h ILE 212 Ca 0.16 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 3k3i h ILE 212 Cb 0.28 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3k3i h ILE 212 CO -0.00 0.27 0.09 -0.03 0.00 0.00 0.00 178.15 178.47 3k3i h MET 213 N 0.56 0.74 -0.02 2.37 4.05 -0.42 -0.50 114.93 121.71 3k3i h MET 213 Ca 0.14 -0.19 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3k3i h MET 213 Cb 0.28 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.94 3k3i h MET 213 CO -0.00 0.75 -0.24 0.00 0.23 0.00 0.00 176.91 177.65 3k3i h ALA 214 N 0.96 -0.30 -0.94 0.39 0.00 -1.03 -1.68 119.26 116.66 3k3i h ALA 214 Ca 0.14 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.19 3k3i h ALA 214 Cb 0.36 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 3k3i h ALA 214 CO 0.01 -0.73 0.60 1.49 0.00 0.00 0.00 179.25 180.62 3k3i h GLU 215 N -0.36 0.82 -0.40 0.00 4.81 -1.07 -0.31 114.58 118.06 3k3i h GLU 215 Ca 0.07 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 3k3i h GLU 215 Cb 0.45 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3k3i h GLU 215 CO -0.23 0.54 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.31 3k3i h LEU 216 N 0.84 0.81 -0.27 1.64 3.38 -0.41 0.15 115.31 121.45 3k3i h LEU 216 Ca 0.47 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 3k3i h LEU 216 Cb 0.59 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k3i h LEU 216 CO -0.23 0.99 -0.33 -0.07 0.09 0.00 0.00 178.44 178.89 3k3i h LEU 217 N 0.70 0.75 0.00 1.67 3.38 -0.74 -1.21 115.31 119.85 3k3i h LEU 217 Ca 0.10 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3k3i h LEU 217 Cb 0.72 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3k3i h LEU 217 CO 0.06 1.09 -1.73 0.35 0.09 0.00 0.00 178.44 178.30 3k3i n THR 218 N -4.24 0.11 -1.23 0.22 -2.24 -0.18 -4.67 114.28 102.05 3k3i n THR 218 Ca -0.04 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.19 3k3i n THR 218 Cb 0.50 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 3k3i n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k3i n GLY 219 N 1.27 0.93 3.04 3.38 0.00 0.54 -4.88 105.19 109.45 3k3i n GLY 219 Ca -0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 3k3i n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k3i s ARG 220 N -2.36 0.65 0.11 1.61 0.52 -1.24 -4.83 118.95 113.41 3k3i s ARG 220 Ca 0.00 -0.46 -0.33 0.00 -0.52 0.00 0.00 55.73 54.43 3k3i s ARG 220 Cb 0.00 -0.59 -0.12 0.00 0.52 0.00 0.00 34.95 34.76 3k3i s ARG 220 CO 0.00 0.15 1.74 2.41 0.02 0.00 0.00 175.30 179.62 3k3i n THR 221 N 2.42 0.23 -0.01 0.02 -1.04 -1.26 -3.97 114.28 110.67 3k3i n THR 221 Ca -0.16 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 61.69 3k3i n THR 221 Cb 0.56 -1.87 -0.07 0.00 -1.82 0.00 0.00 70.33 67.14 3k3i n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3k3i h LEU 222 N 7.53 0.09 -6.55 -4.42 5.85 -1.91 -3.38 115.31 112.53 3k3i h LEU 222 Ca -0.46 -0.20 -0.60 0.00 0.84 0.00 0.00 57.88 57.47 3k3i h LEU 222 Cb 1.24 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.85 3k3i h LEU 222 CO 0.93 0.27 -0.82 0.49 -0.34 0.00 0.00 178.44 178.96 3k3i n PHE 223 N -4.93 0.93 -1.68 1.25 0.99 -1.26 -5.02 117.46 107.73 3k3i n PHE 223 Ca -0.06 -3.75 -0.41 0.00 -0.00 0.00 0.00 57.45 53.23 3k3i n PHE 223 Cb 0.13 -0.17 -0.01 0.00 -1.00 0.00 0.00 39.48 38.43 3k3i n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3k3i n PRO 224 N 2.21 3.32 -2.27 -1.08 -0.04 -1.26 -4.49 135.00 131.39 3k3i n PRO 224 Ca 0.26 -2.63 -0.39 0.00 -0.04 0.00 0.00 63.50 60.69 3k3i n PRO 224 Cb 0.44 -3.05 -0.02 0.00 -0.04 0.00 0.00 33.50 30.82 3k3i n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3k3i s GLY 225 N 2.43 2.93 0.28 0.55 0.00 -1.26 -4.95 107.32 107.29 3k3i s GLY 225 Ca 0.54 1.03 0.16 0.00 0.00 0.00 0.00 44.72 46.45 3k3i s GLY 225 CO -0.07 1.59 1.41 -0.91 0.00 0.00 0.00 173.10 175.12 3k3i h THR 226 N 2.58 0.75 -2.27 0.90 1.35 -1.93 -3.45 112.91 110.84 3k3i h THR 226 Ca -0.49 -2.08 -0.02 0.00 -0.55 0.00 0.00 66.41 63.27 3k3i h THR 226 Cb 1.23 2.35 -0.00 0.00 -1.73 0.00 0.00 68.15 70.00 3k3i h THR 226 CO 0.64 0.43 0.03 -0.90 -0.25 0.00 0.00 175.52 175.47 3k3i n ASP 227 N -3.18 -0.44 0.02 5.36 3.85 -1.26 -5.03 116.55 115.87 3k3i n ASP 227 Ca 0.01 -1.36 -0.06 0.00 -0.71 0.00 0.00 54.79 52.67 3k3i n ASP 227 Cb 0.72 0.75 0.13 0.00 -1.35 0.00 0.00 41.12 41.37 3k3i n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3k3i h HIS 228 N 1.21 0.57 -0.11 2.11 3.86 -1.96 -0.11 115.15 120.73 3k3i h HIS 228 Ca -0.07 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 58.95 3k3i h HIS 228 Cb 0.26 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 3k3i h HIS 228 CO 0.00 0.83 -0.03 0.82 0.86 0.00 0.00 177.93 180.41 3k3i h ILE 229 N 0.39 1.30 -0.88 2.45 1.08 -1.97 -1.24 117.51 118.64 3k3i h ILE 229 Ca 0.03 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.50 3k3i h ILE 229 Cb 0.91 1.73 -0.04 0.00 -3.07 0.00 0.00 36.82 36.35 3k3i h ILE 229 CO 0.08 0.28 0.49 -0.78 -0.69 0.00 0.00 178.15 177.53 3k3i h ASP 230 N -0.12 1.09 0.10 1.72 3.58 -1.94 -0.40 116.42 120.45 3k3i h ASP 230 Ca 0.03 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 3k3i h ASP 230 Cb 0.45 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.23 3k3i h ASP 230 CO 0.01 0.87 -0.05 -0.61 -2.88 0.00 0.00 179.24 176.58 3k3i h GLN 231 N 1.23 -0.13 -0.65 0.28 5.75 -0.88 -0.13 115.11 120.58 3k3i h GLN 231 Ca 0.31 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.84 3k3i h GLN 231 Cb 0.02 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 3k3i h GLN 231 CO -0.05 -0.09 0.42 1.25 -2.65 0.00 0.00 178.83 177.71 3k3i h LEU 232 N -0.14 0.70 -0.34 -2.39 5.85 -0.91 -1.53 115.31 116.55 3k3i h LEU 232 Ca -0.01 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3k3i h LEU 232 Cb 0.10 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3k3i h LEU 232 CO 0.02 0.50 0.02 0.50 -0.34 0.00 0.00 178.44 179.14 3k3i h LYS 233 N 0.83 0.12 -0.63 1.25 3.64 -0.50 -0.39 116.57 120.90 3k3i h LYS 233 Ca 0.25 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3k3i h LYS 233 Cb -0.03 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3k3i h LYS 233 CO -0.08 0.08 0.08 -0.07 -2.27 0.00 0.00 179.45 177.19 3k3i h LEU 234 N 0.12 1.00 0.15 5.20 3.38 -0.68 -1.85 115.31 122.63 3k3i h LEU 234 Ca 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3k3i h LEU 234 Cb 0.22 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3k3i h LEU 234 CO -0.26 1.01 -0.07 0.40 0.09 0.00 0.00 178.44 179.60 3k3i h ILE 235 N 0.97 0.88 0.00 1.22 2.04 -0.67 -2.89 117.51 119.06 3k3i h ILE 235 Ca 0.19 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 3k3i h ILE 235 Cb 0.45 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3k3i h ILE 235 CO 0.01 0.02 -0.23 -0.07 0.00 0.00 0.00 178.15 177.88 3k3i h LEU 236 N -0.25 0.00 -0.95 1.44 3.38 -0.90 -1.16 115.31 116.88 3k3i h LEU 236 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3k3i h LEU 236 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3k3i h LEU 236 CO 0.03 0.23 0.62 -0.09 0.09 0.00 0.00 178.44 179.32 3k3i h ARG 237 N 0.00 1.16 0.00 1.13 2.43 -1.13 0.26 114.38 118.24 3k3i h ARG 237 Ca -0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3k3i h ARG 237 Cb 0.49 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3k3i h ARG 237 CO 0.03 0.77 -0.02 1.25 -1.51 0.00 0.00 179.97 180.49 3k3i h LEU 238 N 1.20 0.01 -1.50 3.80 5.85 -1.23 -3.40 115.31 120.05 3k3i h LEU 238 Ca 0.38 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3k3i h LEU 238 Cb -0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3k3i h LEU 238 CO -0.12 0.91 -0.03 1.33 -0.34 0.00 0.00 178.44 180.19 3k3i n VAL 239 N -4.65 0.00 0.00 1.05 0.24 -0.53 -1.02 118.33 113.42 3k3i n VAL 239 Ca -0.10 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3k3i n VAL 239 Cb 0.44 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 3k3i n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k3i n GLY 240 N 1.29 -1.06 3.77 7.63 0.00 0.91 -4.23 105.19 113.51 3k3i n GLY 240 Ca 0.16 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 3k3i n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k3i s THR 241 N -3.12 3.32 0.26 2.61 -4.23 -0.48 -4.64 115.64 109.35 3k3i s THR 241 Ca 0.00 0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 60.71 3k3i s THR 241 Cb 0.00 -3.01 -0.14 0.00 1.34 0.00 0.00 72.50 70.69 3k3i s THR 241 CO 0.00 -0.49 1.27 -2.65 -0.54 0.00 0.00 174.62 172.22 3k3i n PRO 242 N -3.05 1.79 -1.57 3.99 -0.02 -1.26 -4.88 135.00 129.99 3k3i n PRO 242 Ca 0.10 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 3k3i n PRO 242 Cb 0.53 -2.20 0.16 0.00 -0.02 0.00 0.00 33.50 31.96 3k3i n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3k3i s GLY 243 N -0.02 1.61 0.31 -1.23 0.00 -1.26 -4.80 107.32 101.93 3k3i s GLY 243 Ca 0.65 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.68 3k3i s GLY 243 CO 0.54 -0.08 1.89 0.00 0.00 0.00 0.00 173.10 175.46 3k3i h ALA 244 N -1.65 1.58 -0.57 3.20 0.00 -1.99 -0.90 119.26 118.92 3k3i h ALA 244 Ca -0.48 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 3k3i h ALA 244 Cb 1.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3k3i h ALA 244 CO 0.54 0.25 -0.03 1.49 0.00 0.00 0.00 179.25 181.49 3k3i h GLU 245 N 0.95 1.04 -0.20 0.00 4.81 -2.00 -2.18 114.58 116.99 3k3i h GLU 245 Ca 0.42 -0.35 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 3k3i h GLU 245 Cb 0.35 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3k3i h GLU 245 CO -0.18 1.04 -0.67 1.25 -0.73 0.00 0.00 179.01 179.72 3k3i h LEU 246 N 0.92 0.92 -1.52 1.64 5.85 -1.86 -3.16 115.31 118.11 3k3i h LEU 246 Ca 0.16 -0.55 0.06 0.00 0.84 0.00 0.00 57.88 58.39 3k3i h LEU 246 Cb 0.59 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3k3i h LEU 246 CO 0.04 1.34 0.41 -0.07 -0.34 0.00 0.00 178.44 179.82 3k3i h LEU 247 N 0.57 0.52 -1.39 2.25 3.38 -0.94 -0.87 115.31 118.83 3k3i h LEU 247 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k3i h LEU 247 Cb 1.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3k3i h LEU 247 CO 0.14 0.34 0.00 0.11 0.09 0.00 0.00 178.44 179.12 3k3i h LYS 248 N 0.59 0.00 -0.01 1.13 1.57 -1.36 -2.62 116.57 115.87 3k3i h LYS 248 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3k3i h LYS 248 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3k3i h LYS 248 CO -0.08 0.00 -0.18 1.63 -0.57 0.00 0.00 179.45 180.25 3k3i n LYS 249 N -2.63 1.11 -3.10 3.15 5.02 -0.33 -4.86 118.16 116.51 3k3i n LYS 249 Ca 0.00 -0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 55.21 3k3i n LYS 249 Cb 0.20 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 3k3i n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3k3i s ILE 250 N -2.34 4.85 0.15 -0.18 1.01 -0.99 -4.94 121.20 118.76 3k3i s ILE 250 Ca 0.28 0.46 0.02 0.00 0.00 0.00 0.00 60.65 61.41 3k3i s ILE 250 Cb 0.20 -4.13 -0.17 0.00 0.01 0.00 0.00 42.46 38.37 3k3i s ILE 250 CO 0.46 -0.42 1.34 0.77 0.00 0.00 0.00 174.94 177.09 3k3i h SER 251 N 8.61 0.28 -2.72 3.58 4.64 -1.89 -3.45 113.55 122.59 3k3i h SER 251 Ca -0.26 -0.24 -0.56 0.00 -0.47 0.00 0.00 61.79 60.27 3k3i h SER 251 Cb 1.10 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3k3i h SER 251 CO 0.86 1.06 1.05 -0.55 -0.87 0.00 0.00 176.83 178.38 3k3i s SER 252 N -6.95 6.68 0.16 4.97 0.15 -1.26 -4.93 113.70 112.52 3k3i s SER 252 Ca -0.03 1.96 -0.15 0.00 0.70 0.00 0.00 55.95 58.43 3k3i s SER 252 Cb 0.10 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.94 3k3i s SER 252 CO 0.84 -0.96 1.80 -0.33 1.20 0.00 0.00 173.24 175.79 3k3i h GLU 253 N 9.46 0.49 -0.38 5.44 4.39 -1.99 -0.70 114.58 131.28 3k3i h GLU 253 Ca -0.35 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.22 3k3i h GLU 253 Cb 1.15 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 3k3i h GLU 253 CO 0.97 0.32 -0.19 0.66 -1.16 0.00 0.00 179.01 179.61 3k3i h SER 254 N 0.50 0.74 -0.18 1.42 4.64 -1.99 0.34 113.55 119.02 3k3i h SER 254 Ca 0.18 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 3k3i h SER 254 Cb 0.03 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3k3i h SER 254 CO -0.09 0.93 -0.02 0.00 -0.87 0.00 0.00 176.83 176.78 3k3i h ALA 255 N 1.13 0.25 -0.39 5.18 0.00 -1.92 -1.37 119.26 122.15 3k3i h ALA 255 Ca 0.10 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3k3i h ALA 255 Cb 0.68 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3k3i h ALA 255 CO 0.05 -0.02 0.19 0.00 0.00 0.00 0.00 179.25 179.47 3k3i h ARG 256 N 0.07 0.37 -0.58 0.00 3.08 -1.03 0.11 114.38 116.40 3k3i h ARG 256 Ca 0.05 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.16 3k3i h ARG 256 Cb 0.42 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 3k3i h ARG 256 CO 0.01 0.25 0.23 -0.91 -1.07 0.00 0.00 179.97 178.48 3k3i h ASN 257 N 0.39 0.26 0.43 7.04 2.35 -0.86 0.49 115.58 125.67 3k3i h ASN 257 Ca 0.17 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3k3i h ASN 257 Cb 0.08 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3k3i h ASN 257 CO -0.12 0.16 -0.21 0.22 -1.65 0.00 0.00 177.43 175.83 3k3i h TYR 258 N 0.43 -0.54 -0.26 1.19 3.20 -0.68 -2.10 116.97 118.21 3k3i h TYR 258 Ca 0.29 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 3k3i h TYR 258 Cb 0.32 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3k3i h TYR 258 CO -0.15 -0.27 0.12 0.82 -1.64 0.00 0.00 178.16 177.04 3k3i h ILE 259 N -0.70 0.98 0.00 1.81 1.08 -0.62 -2.35 117.51 117.70 3k3i h ILE 259 Ca -0.06 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3k3i h ILE 259 Cb 0.51 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3k3i h ILE 259 CO 0.10 0.05 0.00 1.56 -0.69 0.00 0.00 178.15 179.16 3k3i h GLN 260 N 0.26 0.00 -0.01 2.37 4.20 -0.92 -2.44 115.11 118.56 3k3i h GLN 260 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3k3i h GLN 260 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3k3i h GLN 260 CO -0.08 0.00 -0.19 0.43 -0.67 0.00 0.00 178.83 178.32 3k3i n SER 261 N -2.86 1.05 -4.78 1.46 7.64 -0.79 -4.88 113.62 110.46 3k3i n SER 261 Ca 0.01 -0.98 -0.37 0.00 1.01 0.00 0.00 58.87 58.54 3k3i n SER 261 Cb 0.27 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 3k3i n SER 261 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k3i s LEU 262 N -2.39 4.15 -0.03 -3.43 1.43 -0.92 -4.98 118.68 112.51 3k3i s LEU 262 Ca 0.28 2.11 -0.32 0.00 -1.03 0.00 0.00 54.13 55.16 3k3i s LEU 262 Cb 0.20 -4.15 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 3k3i s LEU 262 CO 0.48 -0.54 1.91 0.41 0.23 0.00 0.00 176.35 178.83 3k3i n THR 263 N -0.05 0.63 -2.43 5.49 -1.04 -1.26 -4.93 114.28 110.69 3k3i n THR 263 Ca 0.05 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.05 61.57 3k3i n THR 263 Cb 0.49 -2.05 -0.03 0.00 -1.82 0.00 0.00 70.33 66.92 3k3i n THR 263 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k3i s GLN 264 N 4.10 4.18 -0.01 -2.82 1.03 -1.26 -4.96 119.66 119.92 3k3i s GLN 264 Ca 0.91 1.68 0.02 0.00 0.04 0.00 0.00 55.36 58.01 3k3i s GLN 264 Cb -0.59 -2.69 -0.00 0.00 0.03 0.00 0.00 33.01 29.77 3k3i s GLN 264 CO 0.47 -0.17 -0.07 -1.64 -2.54 0.00 0.00 175.29 171.34 3k3i s MET 265 N -2.27 0.60 0.59 9.60 -1.94 -1.26 -4.98 119.30 119.64 3k3i s MET 265 Ca 0.56 -0.25 -0.14 0.00 -1.71 0.00 0.00 55.69 54.15 3k3i s MET 265 Cb -0.27 -0.59 -0.05 0.00 2.01 0.00 0.00 34.83 35.94 3k3i s MET 265 CO 0.34 0.14 1.02 -1.25 -0.01 0.00 0.00 175.02 175.26 3k3i s PRO 266 N -0.10 3.57 0.22 2.03 0.04 -1.26 -1.38 135.00 138.11 3k3i s PRO 266 Ca 0.02 0.92 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 3k3i s PRO 266 Cb -0.04 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 3k3i s PRO 266 CO -0.00 -0.59 1.53 0.21 0.04 0.00 0.00 177.00 178.19 3k3i s LYS 267 N -4.61 4.22 0.68 4.56 2.20 -1.26 -3.79 119.74 121.73 3k3i s LYS 267 Ca 0.58 2.38 -0.13 0.00 -0.36 0.00 0.00 55.97 58.44 3k3i s LYS 267 Cb -0.12 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 3k3i s LYS 267 CO 0.44 -0.54 1.08 -1.64 -0.36 0.00 0.00 175.35 174.32 3k3i s MET 268 N 0.32 2.85 -0.44 4.03 -1.94 -0.19 -4.89 119.30 119.03 3k3i s MET 268 Ca 0.65 1.18 -0.27 0.00 -1.71 0.00 0.00 55.69 55.54 3k3i s MET 268 Cb -0.44 -1.97 0.03 0.00 2.01 0.00 0.00 34.83 34.46 3k3i s MET 268 CO 0.38 -1.19 0.99 1.21 -0.01 0.00 0.00 175.02 176.40 3k3i s ASN 269 N -3.14 6.59 0.41 3.03 2.47 -1.26 -4.91 114.94 118.12 3k3i s ASN 269 Ca 0.62 0.34 0.10 0.00 0.42 0.00 0.00 52.86 54.34 3k3i s ASN 269 Cb -0.17 -2.48 0.85 0.00 -1.45 0.00 0.00 41.25 38.00 3k3i s ASN 269 CO 0.47 -1.06 1.96 -0.26 -3.72 0.00 0.00 177.10 174.49 3k3i h PHE 270 N 8.96 0.23 -0.87 0.43 -1.00 -1.95 -2.04 116.94 120.71 3k3i h PHE 270 Ca -0.23 -0.02 0.12 0.00 2.81 0.00 0.00 57.97 60.65 3k3i h PHE 270 Cb 1.07 -0.07 -0.07 0.00 3.61 0.00 0.00 35.95 40.50 3k3i h PHE 270 CO 0.89 0.32 0.56 0.00 -1.61 0.00 0.00 178.31 178.47 3k3i h ALA 271 N 1.70 1.78 0.06 2.45 0.00 -1.91 0.20 119.26 123.54 3k3i h ALA 271 Ca 0.05 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 3k3i h ALA 271 Cb 0.29 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k3i h ALA 271 CO 0.01 0.01 -1.04 -0.91 0.00 0.00 0.00 179.25 177.32 3k3i h ASN 272 N 0.74 0.81 -0.52 0.00 -0.26 -1.79 -3.24 115.58 111.31 3k3i h ASN 272 Ca 0.42 -0.79 -0.01 0.00 -0.56 0.00 0.00 56.30 55.36 3k3i h ASN 272 Cb 0.59 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 3k3i h ASN 272 CO -0.18 1.51 0.29 0.58 -1.06 0.00 0.00 177.43 178.57 3k3i h VAL 273 N 0.21 1.17 -3.02 2.81 2.07 -1.11 -3.06 116.25 115.32 3k3i h VAL 273 Ca -0.15 -0.42 -0.72 0.00 0.82 0.00 0.00 66.70 66.23 3k3i h VAL 273 Cb 1.72 0.51 -0.34 0.00 -1.52 0.00 0.00 31.29 31.66 3k3i h VAL 273 CO 0.20 0.18 0.08 0.49 0.02 0.00 0.00 177.57 178.54 3k3i n PHE 274 N -4.65 3.74 -1.79 1.57 3.72 0.64 -5.00 117.46 115.69 3k3i n PHE 274 Ca 0.02 -3.75 -0.43 0.00 -0.05 0.00 0.00 57.45 53.25 3k3i n PHE 274 Cb 0.08 -1.11 -0.03 0.00 -0.94 0.00 0.00 39.48 37.48 3k3i n PHE 274 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 3k3i s ILE 275 N -1.94 3.22 0.00 4.37 2.07 -1.16 -3.56 121.20 124.21 3k3i s ILE 275 Ca 0.31 0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.80 3k3i s ILE 275 Cb -0.00 -3.22 0.00 0.00 0.13 0.00 0.00 42.46 39.37 3k3i s ILE 275 CO -0.04 -0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.51 3k3i n GLY 276 N 4.97 0.70 3.81 1.50 0.00 -1.26 -5.04 105.19 109.87 3k3i n GLY 276 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3k3i n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3i s ALA 277 N -2.81 2.59 -0.15 4.61 0.00 -1.23 -4.95 121.76 119.82 3k3i s ALA 277 Ca 0.00 0.16 -0.38 0.00 0.00 0.00 0.00 51.96 51.73 3k3i s ALA 277 Cb 0.00 -3.20 -0.15 0.00 0.00 0.00 0.00 23.12 19.76 3k3i s ALA 277 CO 0.00 -1.32 1.64 -1.71 0.00 0.00 0.00 175.76 174.37 3k3i n ASN 278 N -3.13 2.31 0.11 0.00 2.85 -1.26 -4.82 115.26 111.32 3k3i n ASN 278 Ca 0.08 1.08 0.19 0.00 -0.11 0.00 0.00 54.58 55.81 3k3i n ASN 278 Cb 0.53 -1.19 0.75 0.00 1.24 0.00 0.00 39.78 41.12 3k3i n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k3i h PRO 279 N 6.63 0.00 -0.04 1.20 0.11 -1.97 0.11 132.00 138.05 3k3i h PRO 279 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 3k3i h PRO 279 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3k3i h PRO 279 CO 0.91 0.00 -0.71 -0.07 -0.21 0.00 0.00 178.00 177.92 3k3i h LEU 280 N 0.00 0.23 -0.46 2.35 3.38 -1.99 -0.91 115.31 117.91 3k3i h LEU 280 Ca 0.17 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3k3i h LEU 280 Cb 0.81 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3k3i h LEU 280 CO -0.00 0.86 -0.22 0.00 0.09 0.00 0.00 178.44 179.17 3k3i h ALA 281 N 1.13 0.65 -0.35 1.53 0.00 -1.37 -1.42 119.26 119.43 3k3i h ALA 281 Ca -0.02 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3k3i h ALA 281 Cb 1.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3k3i h ALA 281 CO 0.11 0.64 0.17 0.28 0.00 0.00 0.00 179.25 180.44 3k3i h VAL 282 N 0.81 0.97 -0.46 0.00 2.07 -1.20 0.20 116.25 118.64 3k3i h VAL 282 Ca 0.10 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3k3i h VAL 282 Cb 0.79 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3k3i h VAL 282 CO 0.07 0.06 0.20 -0.78 0.02 0.00 0.00 177.57 177.14 3k3i h ASP 283 N 0.35 0.63 -0.50 0.57 3.58 -1.05 -1.09 116.42 118.91 3k3i h ASP 283 Ca 0.15 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 3k3i h ASP 283 Cb 0.07 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 3k3i h ASP 283 CO -0.11 0.60 0.15 0.25 -2.88 0.00 0.00 179.24 177.26 3k3i h LEU 284 N 0.61 0.73 -0.75 2.28 5.85 -1.12 -2.22 115.31 120.69 3k3i h LEU 284 Ca 0.16 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.76 3k3i h LEU 284 Cb 0.16 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 3k3i h LEU 284 CO -0.02 0.75 0.39 -0.07 -0.34 0.00 0.00 178.44 179.16 3k3i h LEU 285 N 0.68 0.53 -0.98 2.25 3.38 -0.58 -0.62 115.31 119.98 3k3i h LEU 285 Ca 0.16 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.27 3k3i h LEU 285 Cb 0.28 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3k3i h LEU 285 CO -0.00 0.30 0.62 -0.33 0.09 0.00 0.00 178.44 179.12 3k3i h GLU 286 N 0.66 1.06 0.00 1.13 5.08 -0.87 -0.47 114.58 121.18 3k3i h GLU 286 Ca 0.37 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 3k3i h GLU 286 Cb 0.37 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3k3i h GLU 286 CO -0.26 0.70 -0.47 0.87 -1.00 0.00 0.00 179.01 178.85 3k3i h LYS 287 N 1.09 0.00 0.04 2.33 1.57 -0.63 -3.10 116.57 117.86 3k3i h LYS 287 Ca 0.44 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.96 3k3i h LYS 287 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3k3i h LYS 287 CO -0.20 0.47 -1.33 0.52 -0.57 0.00 0.00 179.45 178.34 3k3i h MET 288 N 0.00 0.08 -0.41 3.15 2.86 -0.76 -0.84 114.93 119.01 3k3i h MET 288 Ca -0.00 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3k3i h MET 288 Cb 1.16 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 3k3i h MET 288 CO 0.06 0.91 0.03 1.28 1.06 0.00 0.00 176.91 180.25 3k3i n LEU 289 N -3.31 4.64 -4.76 1.22 4.77 -0.22 -4.28 117.00 115.07 3k3i n LEU 289 Ca -0.09 -3.10 -0.41 0.00 -0.03 0.00 0.00 56.01 52.38 3k3i n LEU 289 Cb 1.00 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3k3i n LEU 289 CO 0.48 0.73 1.20 0.52 -1.33 0.00 0.00 177.39 178.99 3k3i n VAL 290 N -0.27 1.43 0.09 4.08 0.31 -1.18 -4.89 118.33 117.91 3k3i n VAL 290 Ca 0.27 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 64.11 3k3i n VAL 290 Cb 1.05 -1.97 -0.08 0.00 -0.91 0.00 0.00 33.84 31.93 3k3i n VAL 290 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3k3i h LEU 291 N 4.01 -0.16 -8.98 7.52 5.85 -1.93 -3.40 115.31 118.22 3k3i h LEU 291 Ca -0.49 -0.15 -0.57 0.00 0.84 0.00 0.00 57.88 57.52 3k3i h LEU 291 Cb 1.23 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3k3i h LEU 291 CO 0.73 0.05 1.10 -0.62 -0.34 0.00 0.00 178.44 179.36 3k3i s ASP 292 N -5.19 6.40 0.55 1.25 -1.08 -1.26 -4.86 116.67 112.48 3k3i s ASP 292 Ca -0.14 1.42 0.24 0.00 -0.52 0.00 0.00 52.55 53.55 3k3i s ASP 292 Cb 0.04 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.45 3k3i s ASP 292 CO 0.64 -1.28 2.09 0.77 0.52 0.00 0.00 175.17 177.91 3k3i h SER 293 N 10.60 0.00 0.45 -0.34 4.64 -1.99 0.04 113.55 126.94 3k3i h SER 293 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3k3i h SER 293 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3k3i h SER 293 CO 1.02 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 177.42 3k3i h ASP 294 N 0.00 0.00 -0.02 4.97 3.32 -1.94 -2.94 116.42 119.81 3k3i h ASP 294 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3k3i h ASP 294 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3k3i h ASP 294 CO -0.00 0.00 -0.19 0.29 -1.72 0.00 0.00 179.24 177.62 3k3i n LYS 295 N -2.82 1.55 -2.43 3.56 4.76 -0.00 -5.00 118.16 117.77 3k3i n LYS 295 Ca -0.01 -1.12 -0.36 0.00 -2.87 0.00 0.00 58.31 53.96 3k3i n LYS 295 Cb 0.17 -1.30 -0.02 0.00 -1.84 0.00 0.00 35.03 32.03 3k3i n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3k3i s ARG 296 N -1.70 3.84 0.46 1.97 0.52 -1.11 -4.93 118.95 118.00 3k3i s ARG 296 Ca 0.16 1.55 -0.24 0.00 -0.52 0.00 0.00 55.73 56.68 3k3i s ARG 296 Cb 0.14 -2.30 -0.07 0.00 0.52 0.00 0.00 34.95 33.23 3k3i s ARG 296 CO 0.32 -0.43 1.31 -1.50 0.02 0.00 0.00 175.30 175.02 3k3i s ILE 297 N -1.74 2.50 0.70 1.52 2.07 -0.32 -5.02 121.20 120.91 3k3i s ILE 297 Ca 0.64 0.41 -0.07 0.00 -1.41 0.00 0.00 60.65 60.22 3k3i s ILE 297 Cb -0.22 -3.23 0.05 0.00 0.13 0.00 0.00 42.46 39.19 3k3i s ILE 297 CO 0.27 0.03 1.02 0.42 -1.91 0.00 0.00 174.94 174.77 3k3i s THR 298 N -1.32 2.54 0.17 4.00 -4.23 -1.26 -4.90 115.64 110.64 3k3i s THR 298 Ca 0.62 -0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.85 3k3i s THR 298 Cb -0.38 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.43 3k3i s THR 298 CO 0.47 -0.11 1.77 0.00 -0.54 0.00 0.00 174.62 176.21 3k3i h ALA 299 N -0.58 0.72 -0.55 3.99 0.00 -1.92 -0.24 119.26 120.67 3k3i h ALA 299 Ca -0.45 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 3k3i h ALA 299 Cb 1.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3k3i h ALA 299 CO 0.61 0.25 -0.04 0.00 0.00 0.00 0.00 179.25 180.08 3k3i h ALA 300 N 1.13 0.75 -0.70 0.00 0.00 -1.93 -1.99 119.26 116.51 3k3i h ALA 300 Ca 0.20 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3k3i h ALA 300 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3k3i h ALA 300 CO -0.03 0.61 0.22 1.96 0.00 0.00 0.00 179.25 182.01 3k3i h GLN 301 N 0.88 1.09 -0.33 0.00 4.20 -1.91 -3.05 115.11 115.99 3k3i h GLN 301 Ca 0.15 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3k3i h GLN 301 Cb 0.59 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3k3i h GLN 301 CO 0.04 0.94 0.02 0.00 -0.67 0.00 0.00 178.83 179.16 3k3i h ALA 302 N 1.10 1.42 0.00 3.87 0.00 -0.53 -1.96 119.26 123.16 3k3i h ALA 302 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3k3i h ALA 302 Cb 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3k3i h ALA 302 CO -0.01 0.41 -0.00 -0.07 0.00 0.00 0.00 179.25 179.58 3k3i h LEU 303 N 0.49 0.00 -0.79 0.00 3.38 -1.26 -1.53 115.31 115.61 3k3i h LEU 303 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3k3i h LEU 303 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3k3i h LEU 303 CO 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 178.44 178.45 3k3i n ALA 304 N -2.41 2.75 -1.77 1.53 0.00 -0.74 -4.69 120.51 115.18 3k3i n ALA 304 Ca -0.03 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.60 3k3i n ALA 304 Cb 0.09 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3k3i n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3k3i s HIS 305 N -2.18 3.00 0.60 0.00 5.04 -0.58 -4.92 115.29 116.27 3k3i s HIS 305 Ca 0.33 1.51 0.29 0.00 -1.54 0.00 0.00 55.06 55.66 3k3i s HIS 305 Cb 0.20 -3.48 1.60 0.00 0.04 0.00 0.00 32.58 30.95 3k3i s HIS 305 CO 0.40 -1.53 1.99 0.00 -2.34 0.00 0.00 174.74 173.26 3k3i h ALA 306 N 2.68 1.86 -0.41 1.58 0.00 -1.91 -0.94 119.26 122.12 3k3i h ALA 306 Ca -0.49 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.51 3k3i h ALA 306 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3k3i h ALA 306 CO 0.63 -0.47 0.29 -0.92 0.00 0.00 0.00 179.25 178.78 3k3i h TYR 307 N 0.00 0.11 -0.67 0.00 3.20 -1.91 -2.31 116.97 115.39 3k3i h TYR 307 Ca 0.12 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.76 3k3i h TYR 307 Cb 0.79 -0.04 -0.14 0.00 1.54 0.00 0.00 36.73 38.88 3k3i h TYR 307 CO 0.00 0.06 0.25 1.19 -1.64 0.00 0.00 178.16 178.02 3k3i n PHE 308 N -4.44 2.19 -0.25 -3.82 3.01 -0.36 -4.68 117.46 109.10 3k3i n PHE 308 Ca 0.06 -1.33 0.06 0.00 1.01 0.00 0.00 57.45 57.26 3k3i n PHE 308 Cb 0.41 -0.66 0.30 0.00 -0.01 0.00 0.00 39.48 39.52 3k3i n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k3i h ALA 309 N 2.07 1.63 0.00 4.37 0.00 -1.55 0.15 119.26 125.92 3k3i h ALA 309 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k3i h ALA 309 Cb 2.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3k3i h ALA 309 CO 0.69 0.23 0.00 0.00 0.00 0.00 0.00 179.25 180.17 3k3i n GLN 310 N -4.50 0.18 -0.03 0.00 10.64 -1.26 -4.00 117.38 118.40 3k3i n GLN 310 Ca 0.13 0.27 -0.03 0.00 -1.83 0.00 0.00 57.00 55.54 3k3i n GLN 310 Cb 0.25 -1.76 -0.05 0.00 -0.86 0.00 0.00 30.24 27.82 3k3i n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3k3i n TYR 311 N -2.08 0.00 -1.80 2.61 4.02 -0.42 -5.04 117.16 114.45 3k3i n TYR 311 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 3k3i n TYR 311 Cb 0.31 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 39.30 3k3i n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3k3i s HIS 312 N -2.15 2.72 -0.26 -0.72 2.46 0.39 -4.98 115.29 112.74 3k3i s HIS 312 Ca -0.04 0.32 -0.03 0.00 0.47 0.00 0.00 55.06 55.78 3k3i s HIS 312 Cb 0.02 -4.08 0.10 0.00 -0.13 0.00 0.00 32.58 28.49 3k3i s HIS 312 CO 0.24 -4.18 0.18 0.34 -2.47 0.00 0.00 174.74 168.85 3k3i s ASP 313 N 1.66 2.60 0.64 9.88 -1.08 -1.26 -5.00 116.67 124.11 3k3i s ASP 313 Ca 0.75 -0.92 0.40 0.00 -0.52 0.00 0.00 52.55 52.26 3k3i s ASP 313 Cb -0.46 -0.01 2.18 0.00 -1.46 0.00 0.00 42.92 43.16 3k3i s ASP 313 CO 0.33 -0.40 2.22 1.55 0.52 0.00 0.00 175.17 179.39 3k3i h PRO 314 N 8.36 0.00 -0.14 4.34 0.13 -1.97 0.95 132.00 143.66 3k3i h PRO 314 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3k3i h PRO 314 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3k3i h PRO 314 CO 0.37 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.89 3k3i n ASP 315 N -2.98 2.13 -2.64 1.44 8.00 -1.26 -4.07 116.55 117.18 3k3i n ASP 315 Ca -0.03 -1.74 -0.06 0.00 0.71 0.00 0.00 54.79 53.67 3k3i n ASP 315 Cb 0.14 -0.09 0.04 0.00 -0.02 0.00 0.00 41.12 41.19 3k3i n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3k3i n ASP 316 N 0.64 2.35 -3.28 -2.24 4.64 0.32 -4.89 116.55 114.10 3k3i n ASP 316 Ca 0.17 -2.46 -0.25 0.00 -1.38 0.00 0.00 54.79 50.87 3k3i n ASP 316 Cb 0.43 -0.45 -0.08 0.00 -1.04 0.00 0.00 41.12 39.98 3k3i n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3k3i n GLU 317 N -0.60 1.14 -1.58 -0.67 1.02 -1.21 -4.88 120.64 113.86 3k3i n GLU 317 Ca 0.16 -3.59 -0.31 0.00 -0.02 0.00 0.00 57.16 53.39 3k3i n GLU 317 Cb 0.84 -1.52 0.05 0.00 -0.02 0.00 0.00 31.44 30.79 3k3i n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3k3i s PRO 318 N -1.41 2.93 0.44 3.49 0.04 -1.26 -4.95 135.00 134.26 3k3i s PRO 318 Ca 0.36 0.93 0.07 0.00 0.04 0.00 0.00 61.00 62.40 3k3i s PRO 318 Cb 0.15 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.71 3k3i s PRO 318 CO -0.09 -1.10 0.59 0.14 0.04 0.00 0.00 177.00 176.58 3k3i s VAL 319 N -3.06 2.98 0.22 -0.36 -7.23 -1.26 -4.17 120.40 107.52 3k3i s VAL 319 Ca 0.58 -0.96 -0.03 0.00 -1.81 0.00 0.00 61.98 59.76 3k3i s VAL 319 Cb -0.14 -3.01 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 3k3i s VAL 319 CO 0.55 -0.00 0.45 0.00 -0.31 0.00 0.00 175.10 175.78 3k3i s ALA 320 N -2.40 3.74 0.61 1.32 0.00 -1.26 -5.01 121.76 118.77 3k3i s ALA 320 Ca 0.55 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 3k3i s ALA 320 Cb -0.10 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 3k3i s ALA 320 CO 0.34 0.43 1.12 -0.25 0.00 0.00 0.00 175.76 177.40 3k3i n ASP 321 N -0.56 1.44 -4.73 0.00 8.00 -1.26 -4.68 116.55 114.76 3k3i n ASP 321 Ca -0.03 0.84 -0.35 0.00 0.71 0.00 0.00 54.79 55.96 3k3i n ASP 321 Cb 0.53 -1.47 0.07 0.00 -0.02 0.00 0.00 41.12 40.24 3k3i n ASP 321 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3k3i s PRO 322 N -2.97 2.45 -0.13 -0.24 0.04 -1.26 -4.69 135.00 128.20 3k3i s PRO 322 Ca 0.77 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.66 3k3i s PRO 322 Cb -0.41 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.29 3k3i s PRO 322 CO 0.45 -1.61 -0.15 -0.47 0.04 0.00 0.00 177.00 175.26 3k3i s TYR 323 N -1.77 2.13 -0.59 0.56 5.04 -1.26 -5.09 117.35 116.38 3k3i s TYR 323 Ca 0.77 -1.10 -0.24 0.00 -2.44 0.00 0.00 57.07 54.05 3k3i s TYR 323 Cb -0.31 -1.54 0.05 0.00 0.35 0.00 0.00 41.96 40.51 3k3i s TYR 323 CO 0.41 -0.58 0.97 0.34 -1.34 0.00 0.00 175.55 175.35 3k3i s ASP 324 N 1.20 6.28 -0.36 4.32 2.15 -1.26 -4.86 116.67 124.14 3k3i s ASP 324 Ca -0.01 -0.54 0.07 0.00 0.43 0.00 0.00 52.55 52.50 3k3i s ASP 324 Cb -0.14 -2.44 0.61 0.00 -0.30 0.00 0.00 42.92 40.65 3k3i s ASP 324 CO -0.06 -1.32 1.71 0.00 -0.17 0.00 0.00 175.17 175.33 3k3i n GLN 325 N 7.64 2.26 0.18 4.34 10.64 -1.26 -4.56 117.38 136.62 3k3i n GLN 325 Ca 0.00 -3.09 0.14 0.00 -1.83 0.00 0.00 57.00 52.23 3k3i n GLN 325 Cb 0.47 -2.03 0.72 0.00 -0.86 0.00 0.00 30.24 28.55 3k3i n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3k3i h SER 326 N 1.21 0.00 -0.02 2.61 4.64 -2.04 -1.13 113.55 118.81 3k3i h SER 326 Ca 0.41 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.73 3k3i h SER 326 Cb 2.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.37 3k3i h SER 326 CO 0.75 0.00 0.03 2.19 -0.87 0.00 0.00 176.83 178.93 3k3i h PHE 327 N 0.00 0.00 -0.03 4.77 -5.15 -1.98 -1.94 116.94 112.62 3k3i h PHE 327 Ca 0.09 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.87 3k3i h PHE 327 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.58 3k3i h PHE 327 CO 0.00 0.00 0.02 0.93 -2.00 0.00 0.00 178.31 177.26 3k3i h GLU 328 N 0.00 0.00 -0.00 6.09 4.39 -1.57 -1.17 114.58 122.31 3k3i h GLU 328 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3k3i h GLU 328 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3k3i h GLU 328 CO -0.00 0.00 -0.19 -1.13 -1.16 0.00 0.00 179.01 176.53 3k3i n SER 329 N -4.26 0.58 -4.84 1.42 3.41 -0.73 -4.91 113.62 104.29 3k3i n SER 329 Ca -0.02 -0.52 -0.36 0.00 -0.26 0.00 0.00 58.87 57.70 3k3i n SER 329 Cb 0.12 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 3k3i n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3k3i s ARG 330 N -2.60 3.96 -0.37 4.33 0.52 -0.44 -5.06 118.95 119.29 3k3i s ARG 330 Ca 0.24 0.45 -0.03 0.00 -0.52 0.00 0.00 55.73 55.88 3k3i s ARG 330 Cb 0.19 -3.03 0.09 0.00 0.52 0.00 0.00 34.95 32.72 3k3i s ARG 330 CO 0.52 0.55 0.13 -0.51 0.02 0.00 0.00 175.30 176.01 3k3i s ASP 331 N -1.55 5.14 0.35 0.23 1.01 -1.26 -5.06 116.67 115.52 3k3i s ASP 331 Ca 0.34 -1.75 0.05 0.00 0.71 0.00 0.00 52.55 51.90 3k3i s ASP 331 Cb -0.16 -1.79 -0.07 0.00 1.01 0.00 0.00 42.92 41.91 3k3i s ASP 331 CO 0.18 -0.44 0.03 -0.76 0.21 0.00 0.00 175.17 174.39 3k3i s LEU 332 N 1.18 2.45 0.57 1.23 1.43 -1.26 -5.14 118.68 119.15 3k3i s LEU 332 Ca 0.04 -1.35 -0.09 0.00 -1.03 0.00 0.00 54.13 51.70 3k3i s LEU 332 Cb -0.21 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 3k3i s LEU 332 CO -0.03 -0.52 0.93 -0.76 0.23 0.00 0.00 176.35 176.21 3k3i s LEU 333 N -3.56 3.37 0.20 1.79 1.43 -1.26 -4.89 118.68 115.77 3k3i s LEU 333 Ca 0.35 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 3k3i s LEU 333 Cb 0.08 -4.20 0.24 0.00 0.03 0.00 0.00 46.19 42.34 3k3i s LEU 333 CO 0.16 -0.78 1.70 0.40 0.23 0.00 0.00 176.35 178.06 3k3i h ILE 334 N -0.12 0.65 0.00 -0.59 2.04 -1.92 -0.77 117.51 116.80 3k3i h ILE 334 Ca -0.45 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3k3i h ILE 334 Cb 1.20 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3k3i h ILE 334 CO 0.62 0.04 -0.13 0.44 0.00 0.00 0.00 178.15 179.12 3k3i h ASP 335 N 0.21 0.00 -0.03 1.72 3.45 -1.96 -0.11 116.42 119.69 3k3i h ASP 335 Ca 0.28 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.60 3k3i h ASP 335 Cb 0.41 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3k3i h ASP 335 CO -0.39 0.13 -0.52 -0.33 -1.57 0.00 0.00 179.24 176.57 3k3i h GLU 336 N 0.00 0.41 -0.73 3.56 5.08 -1.53 -0.52 114.58 120.84 3k3i h GLU 336 Ca -0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3k3i h GLU 336 Cb 0.34 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3k3i h GLU 336 CO 0.02 1.05 0.47 -1.49 -1.00 0.00 0.00 179.01 178.06 3k3i h TRP 337 N -0.09 0.93 -0.35 4.33 -0.00 -1.04 -0.99 115.95 118.75 3k3i h TRP 337 Ca -0.06 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.85 3k3i h TRP 337 Cb 1.21 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 30.04 3k3i h TRP 337 CO 0.14 0.60 0.22 -0.22 -0.00 0.00 0.00 178.44 179.18 3k3i h LYS 338 N 0.99 0.47 -0.50 0.49 3.64 -0.98 -0.91 116.57 119.77 3k3i h LYS 338 Ca 0.27 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3k3i h LYS 338 Cb -0.09 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3k3i h LYS 338 CO -0.06 0.33 0.02 1.03 -2.27 0.00 0.00 179.45 178.50 3k3i h SER 339 N 0.46 0.80 -0.74 4.20 0.87 -0.76 0.14 113.55 118.52 3k3i h SER 339 Ca 0.13 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 3k3i h SER 339 Cb -0.02 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 3k3i h SER 339 CO -0.03 0.85 0.31 -0.07 -0.53 0.00 0.00 176.83 177.37 3k3i h LEU 340 N 0.78 1.01 -0.23 2.23 3.38 -0.93 -0.55 115.31 120.99 3k3i h LEU 340 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3k3i h LEU 340 Cb 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3k3i h LEU 340 CO 0.02 0.89 0.07 0.74 0.09 0.00 0.00 178.44 180.25 3k3i h THR 341 N 1.06 1.19 -0.68 0.22 2.02 -0.65 -2.25 112.91 113.82 3k3i h THR 341 Ca 0.25 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.87 3k3i h THR 341 Cb 0.19 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3k3i h THR 341 CO -0.02 0.20 0.40 0.22 0.37 0.00 0.00 175.52 176.68 3k3i h TYR 342 N 0.21 0.73 -0.76 3.16 3.20 -0.67 -0.78 116.97 122.06 3k3i h TYR 342 Ca 0.07 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.07 3k3i h TYR 342 Cb 0.24 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.20 3k3i h TYR 342 CO 0.00 0.37 0.39 -0.44 -1.64 0.00 0.00 178.16 176.84 3k3i h ASP 343 N 0.74 0.50 0.15 -2.11 3.45 -0.82 -1.37 116.42 116.97 3k3i h ASP 343 Ca 0.30 0.07 -0.14 0.00 0.43 0.00 0.00 57.03 57.69 3k3i h ASP 343 Cb 0.15 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3k3i h ASP 343 CO -0.16 0.27 -0.50 -0.33 -1.57 0.00 0.00 179.24 176.95 3k3i h GLU 344 N 0.64 0.40 -0.05 3.56 4.39 -0.71 -1.55 114.58 121.25 3k3i h GLU 344 Ca 0.38 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3k3i h GLU 344 Cb 0.42 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3k3i h GLU 344 CO -0.29 0.81 0.03 0.28 -1.16 0.00 0.00 179.01 178.68 3k3i h VAL 345 N 0.32 1.06 -0.61 3.13 2.07 -0.45 -3.00 116.25 118.77 3k3i h VAL 345 Ca 0.01 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3k3i h VAL 345 Cb 0.99 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3k3i h VAL 345 CO 0.09 0.05 0.22 0.40 0.02 0.00 0.00 177.57 178.35 3k3i h ILE 346 N 0.01 1.22 -0.01 4.57 1.08 -1.15 -2.85 117.51 120.38 3k3i h ILE 346 Ca 0.02 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3k3i h ILE 346 Cb 0.06 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3k3i h ILE 346 CO -0.00 0.28 -0.09 -1.54 -0.69 0.00 0.00 178.15 176.11 3k3i n SER 347 N -4.31 0.73 -4.72 1.72 3.41 -0.60 -4.91 113.62 104.95 3k3i n SER 347 Ca 0.05 -0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 57.34 3k3i n SER 347 Cb 0.18 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3k3i n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3k3i s PHE 348 N -2.30 2.86 -0.25 7.33 5.36 -1.08 -4.99 117.98 124.91 3k3i s PHE 348 Ca 0.33 0.34 -0.02 0.00 -0.96 0.00 0.00 56.93 56.62 3k3i s PHE 348 Cb 0.20 -4.13 0.02 0.00 -0.34 0.00 0.00 43.02 38.78 3k3i s PHE 348 CO 0.44 -4.29 -0.05 0.08 -1.46 0.00 0.00 175.22 169.94 3k3i s VAL 349 N 1.29 2.98 0.68 3.12 1.01 -1.26 -5.08 120.40 123.14 3k3i s VAL 349 Ca 0.75 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 3k3i s VAL 349 Cb -0.49 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.38 3k3i s VAL 349 CO 0.32 0.18 1.23 -2.16 0.00 0.00 0.00 175.10 174.67 3k3i s PRO 350 N 1.34 2.40 0.76 2.72 0.04 -1.26 -4.97 135.00 136.02 3k3i s PRO 350 Ca 0.00 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 3k3i s PRO 350 Cb -0.17 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.57 3k3i s PRO 350 CO -0.04 -1.66 1.11 -1.25 0.04 0.00 0.00 177.00 175.20 3k3i s PRO 351 N -3.68 2.24 0.00 0.56 0.04 -1.26 -5.15 135.00 127.75 3k3i s PRO 351 Ca 0.77 1.29 0.00 0.00 0.04 0.00 0.00 61.00 63.10 3k3i s PRO 351 Cb -0.31 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3k3i s PRO 351 CO 0.42 -1.67 0.46 -0.35 0.04 0.00 0.00 177.00 175.89